A0A5K4F4P7_SCHMA Loading...

Glycine-rich cell wall structural protein-like

AlphaFold DB , UniProt , Accession A0A5K4F4P7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 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
1M80.3Confident81.9Confident193 Ų193109.8 Ų109.895%0.95158%0.578SS**  0-55.70-64.9-55156.300111.8L3 I4 S5M1-L3 PolarHBondContact O-N 3.2Å; M1-I4 PolarHBondContact O-N 3.24Å; M1-S5 PolarHBondContact O-N 3.09Å; M1-S5 PolarHBondContact O-OG 3.43Å
2T88.1Confident80.6Confident103 Ų103107.1 Ų107.163%0.63257%0.574SS**Hα-helixtrans-57.6-45.8-177.650.10000115.4I4 S5 I6T2-I4 PolarHBondContact O-N 3.25Å; T2-S5 VanDerWaalsContact C-OG 3.29Å; T2-S5 VanDerWaalsContact CA-OG 3.28Å; T2-S5 WeakPolarHBondContact CA-OG 3.18Å; T2-S5 PolarHBondContact O-N 3.1Å; T2-S5 PolarHBondContact O-OG 3.25Å; T2-I6 WeakPolarHBondContact O-CG1 3.42Å; T2-I6 PolarHBondContact O-N 3.34Å
3L84.2Confident78.9Confident138 Ų138104.9 Ų104.972%0.72357%0.573SS**Hα-helixtrans-61.7-39.7179.1-83.9156.1000113.3M1 I6 L7M1-L3 PolarHBondContact O-N 3.2Å; L3-I6 PolarHBondContact O-N 3.31Å; L3-L7 PolarHBondContact O-N 3.26Å
4I86.6Confident77.2Confident98 Ų98102.6 Ų102.650%0.50356%0.563SS.*Hα-helixtrans-67.6-44.1179.2-66.2163.6000109.7M1 T2 I6 L7 F8M1-I4 PolarHBondContact O-N 3.24Å; T2-I4 PolarHBondContact O-N 3.25Å; I4-I6 VanDerWaalsContact C-N 3.34Å; I4-I6 PolarHBondContact O-N 2.96Å; I4-L7 PolarHBondContact O-N 3.06Å; I4-F8 HydrophobicContact CG2-CD2 3.72Å; I4-F8 HydrophobicContact CG2-CE2 3.74Å; I4-F8 WeakPolarHBondContact O-CD2 3.49Å; I4-F8 PolarHBondContact O-N 3.19Å
5S84.2Confident75.2Confident58 Ų58100.1 Ų100.141%0.40656%0.556SS.*Hα-helixtrans-61.2-39.6175.232.20000112.9M1 T2 L7 F8 I9M1-S5 PolarHBondContact O-N 3.09Å; M1-S5 PolarHBondContact O-OG 3.43Å; T2-S5 VanDerWaalsContact C-OG 3.29Å; T2-S5 VanDerWaalsContact CA-OG 3.28Å; T2-S5 WeakPolarHBondContact CA-OG 3.18Å; T2-S5 PolarHBondContact O-N 3.1Å; T2-S5 PolarHBondContact O-OG 3.25Å; S5-L7 VanDerWaalsContact C-N 3.35Å; S5-F8 PolarHBondContact O-N 3.14Å; S5-I9 WeakPolarHBondContact O-CD1 3.42Å; S5-I9 VanDerWaalsContact O-CG1 3.25Å; S5-I9 WeakPolarHBondContact O-CG1 3.12Å; S5-I9 PolarHBondContact O-N 3.48Å
6I83.7Confident73.6Confident102 Ų102101.7 Ų101.752%0.52356%0.562SS.*Hα-helixtrans-63.9-43.5175.4-65.6163.7000110.2T2 L3 I4 F8 I9 T10T2-I6 WeakPolarHBondContact O-CG1 3.42Å; T2-I6 PolarHBondContact O-N 3.34Å; L3-I6 PolarHBondContact O-N 3.31Å; I4-I6 VanDerWaalsContact C-N 3.34Å; I4-I6 PolarHBondContact O-N 2.96Å; I6-F8 PolarHBondContact O-N 3.26Å; I6-I9 PolarHBondContact O-N 3.05Å; I6-T10 HydrophobicContact CG2-CG2 4.35Å; I6-T10 WeakPolarHBondContact O-CG2 3.12Å; I6-T10 PolarHBondContact O-N 3.23Å; I6-T10 PolarHBondContact O-OG1 3.49Å; I6-T10 VanDerWaalsContact O-OG1 3.11Å
7L82.8Confident71.9Confident100 Ų100103.7 Ų103.752%0.52456%0.564SS.*Hα-helixtrans-62.2-40.7177.2-174.367.2000112.3L3 I4 S5 T10 I11L3-L7 PolarHBondContact O-N 3.26Å; I4-L7 PolarHBondContact O-N 3.06Å; S5-L7 VanDerWaalsContact C-N 3.35Å; L7-T10 WeakPolarHBondContact CA-OG1 2.97Å; L7-T10 PolarHBondContact O-N 3.14Å; L7-T10 PolarHBondContact O-OG1 3.21Å; L7-I11 HydrophobicContact CD1-CD1 3.94Å; L7-I11 HydrophobicContact CD1-CG1 4.25Å; L7-I11 HydrophobicContact CD2-CD1 4.33Å; L7-I11 HydrophobicContact CG-CD1 3.71Å; L7-I11 HydrophobicContact CG-CG1 4.37Å; L7-I11 WeakPolarHBondContact O-CB 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.15Å; L7-I11 PolarHBondContact O-N 3.21Å
8F81.5Confident70.1Confident146 Ų146107.1 Ų107.164%0.6457%0.572SS**Hα-helixtrans-65.9-40.3175.8-91.8-79.2000112.5I4 S5 I6 S12I4-F8 HydrophobicContact CG2-CD2 3.72Å; I4-F8 HydrophobicContact CG2-CE2 3.74Å; I4-F8 WeakPolarHBondContact O-CD2 3.49Å; I4-F8 PolarHBondContact O-N 3.19Å; S5-F8 PolarHBondContact O-N 3.14Å; I6-F8 PolarHBondContact O-N 3.26Å; F8-S12 WeakPolarHBondContact O-CB 3.3Å; F8-S12 PolarHBondContact O-N 3.28Å
9I79.8Confident68.8Low119 Ų119109.6 Ų109.661%0.6158%0.581SS**Hα-helixtrans-66.2-41.9177.1-66.4163.5000110.2S5 I6 S13S5-I9 WeakPolarHBondContact O-CD1 3.42Å; S5-I9 VanDerWaalsContact O-CG1 3.25Å; S5-I9 WeakPolarHBondContact O-CG1 3.12Å; S5-I9 PolarHBondContact O-N 3.48Å; I6-I9 PolarHBondContact O-N 3.05Å; I9-S13 WeakPolarHBondContact O-CB 3.2Å; I9-S13 PolarHBondContact O-N 3.17Å
10T77.6Confident67.9Low69 Ų69107 Ų10742%0.42357%0.569SS.*Hα-helixtrans-70.3-40.9178.555.90000112.1I6 L7 S13 T14I6-T10 HydrophobicContact CG2-CG2 4.35Å; I6-T10 WeakPolarHBondContact O-CG2 3.12Å; I6-T10 PolarHBondContact O-N 3.23Å; I6-T10 PolarHBondContact O-OG1 3.49Å; I6-T10 VanDerWaalsContact O-OG1 3.11Å; L7-T10 WeakPolarHBondContact CA-OG1 2.97Å; L7-T10 PolarHBondContact O-N 3.14Å; L7-T10 PolarHBondContact O-OG1 3.21Å; T10-S13 PolarHBondContact O-N 2.63Å; T10-T14 WeakPolarHBondContact O-CB 3.19Å; T10-T14 VanDerWaalsContact O-CG2 3.27Å; T10-T14 WeakPolarHBondContact O-CG2 3.5Å; T10-T14 PolarHBondContact O-N 3.34Å; T10-T14 PolarHBondContact O-OG1 3.26Å
11I72Confident66.9Low82 Ų82104.4 Ų104.442%0.42157%0.568SS.*Hα-helixtrans-65.7-45.1174.2-66.9169.7000110.3L7 S13 T14 C15L7-I11 HydrophobicContact CD1-CD1 3.94Å; L7-I11 HydrophobicContact CD1-CG1 4.25Å; L7-I11 HydrophobicContact CD2-CD1 4.33Å; L7-I11 HydrophobicContact CG-CD1 3.71Å; L7-I11 HydrophobicContact CG-CG1 4.37Å; L7-I11 WeakPolarHBondContact O-CB 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.15Å; L7-I11 PolarHBondContact O-N 3.21Å; I11-S13 PolarHBondContact O-N 3.23Å; I11-T14 WeakPolarHBondContact CA-OG1 3.24Å; I11-T14 PolarHBondContact O-N 3.2Å; I11-T14 PolarHBondContact O-OG1 3.08Å; I11-C15 WeakPolarHBondContact O-CB 3.14Å; I11-C15 PolarHBondContact O-N 3.31Å
12S66.9Low65.4Low77 Ų7797.3 Ų97.354%0.53855%0.545SS..Hα-helixtrans-62.3-43.8177.4-179.70000111.3F8 T14 C15 L16F8-S12 WeakPolarHBondContact O-CB 3.3Å; F8-S12 PolarHBondContact O-N 3.28Å; S12-T14 PolarHBondContact O-N 3.07Å; S12-C15 PolarHBondContact O-N 3.15Å; S12-L16 VanDerWaalsContact O-CB 3.3Å; S12-L16 WeakPolarHBondContact O-CB 3.15Å; S12-L16 PolarHBondContact O-N 3.22Å
13S58.4Low63.6Low79 Ų7998.5 Ų98.555%0.55255%0.551SS**Hα-helixtrans-66.9-36177.8-170.60000112.7I9 T10 I11 F17I9-S13 WeakPolarHBondContact O-CB 3.2Å; I9-S13 PolarHBondContact O-N 3.17Å; T10-S13 PolarHBondContact O-N 2.63Å; I11-S13 PolarHBondContact O-N 3.23Å; S13-F17 PolarHBondContact O-N 2.77Å
14T54.1Low62.1Low72 Ų7293.1 Ų93.144%0.44253%0.529SS..Hα-helixtrans-76.4-39.8175.951.50000111.6T10 I11 S12 L16 F17 F18T10-T14 WeakPolarHBondContact O-CB 3.19Å; T10-T14 VanDerWaalsContact O-CG2 3.27Å; T10-T14 WeakPolarHBondContact O-CG2 3.5Å; T10-T14 PolarHBondContact O-N 3.34Å; T10-T14 PolarHBondContact O-OG1 3.26Å; I11-T14 WeakPolarHBondContact CA-OG1 3.24Å; I11-T14 PolarHBondContact O-N 3.2Å; I11-T14 PolarHBondContact O-OG1 3.08Å; S12-T14 PolarHBondContact O-N 3.07Å; T14-L16 PolarHBondContact O-N 3.42Å; T14-F17 WeakPolarHBondContact O-CA 3.41Å; T14-F17 VanDerWaalsContact O-CB 3.31Å; T14-F17 WeakPolarHBondContact O-CB 3.25Å; T14-F17 PolarHBondContact O-N 3.39Å; T14-F17 VanDerWaalsContact O-N 3.14Å; T14-F18 WeakPolarHBondContact O-CD2 3.24Å; T14-F18 PolarHBondContact O-N 3.38Å
15C48.2Very low60.5Low66 Ų6694.1 Ų94.145%0.44654%0.54SS..Hα-helixtrans-59.9-44.3171.5-880000111.3I11 S12 F17 F18 Q19I11-C15 WeakPolarHBondContact O-CB 3.14Å; I11-C15 PolarHBondContact O-N 3.31Å; S12-C15 PolarHBondContact O-N 3.15Å; C15-F17 PolarHBondContact O-N 2.87Å; C15-F18 CarbonylContact O-C 3.49Å; C15-F18 PolarHBondContact O-N 3.38Å; C15-F18 VanDerWaalsContact O-N 3.1Å; C15-Q19 WeakPolarHBondContact O-CB 3.28Å; C15-Q19 PolarHBondContact O-N 3.49Å
16L48.7Very low59.1Low125 Ų12595 Ų9565%0.65454%0.54SS*.Hα-helixtrans-60.2-37.6175.7-153.485.9000111.1S12 T14S12-L16 VanDerWaalsContact O-CB 3.3Å; S12-L16 WeakPolarHBondContact O-CB 3.15Å; S12-L16 PolarHBondContact O-N 3.22Å; T14-L16 PolarHBondContact O-N 3.42Å
17F44.6Very low57.9Low136 Ų13692.5 Ų92.560%0.59654%0.54SS*.Hα-helixtrans-64.8-43.6174.4-163.3-96.8000111.8S13 T14 C15 T20S13-F17 PolarHBondContact O-N 2.77Å; T14-F17 WeakPolarHBondContact O-CA 3.41Å; T14-F17 VanDerWaalsContact O-CB 3.31Å; T14-F17 WeakPolarHBondContact O-CB 3.25Å; T14-F17 PolarHBondContact O-N 3.39Å; T14-F17 VanDerWaalsContact O-N 3.14Å; C15-F17 PolarHBondContact O-N 2.87Å; F17-T20 PolarHBondContact O-OG1 2.9Å
18F39.6Very low56.8Low164 Ų16493.7 Ų93.772%0.71955%0.547SS*.Hα-helixtrans-73.3-27.6179.1-82.7-69.7000114.2T14 C15 T20 G21T14-F18 WeakPolarHBondContact O-CD2 3.24Å; T14-F18 PolarHBondContact O-N 3.38Å; C15-F18 CarbonylContact O-C 3.49Å; C15-F18 PolarHBondContact O-N 3.38Å; C15-F18 VanDerWaalsContact O-N 3.1Å; F18-T20 PolarHBondContact O-N 3.49Å; F18-G21 PolarHBondContact O-N 3.41Å
19Q45.4Very low56Low156 Ų15690.7 Ų90.773%0.72955%0.549SS*.G310 helixtrans-74-6.7-176.1-149.6156.3-4.500113.3C15 G21C15-Q19 WeakPolarHBondContact O-CB 3.28Å; C15-Q19 PolarHBondContact O-N 3.49Å; Q19-G21 PolarHBondContact O-N 2.85Å
20T51.1Low55.3Low56 Ų5686.5 Ų86.534%0.34454%0.535SS..G310 helixtrans-71.5-5.7169.664.10000113.8F17 F18 G22 A33F17-T20 PolarHBondContact O-OG1 2.9Å; F18-T20 PolarHBondContact O-N 3.49Å; T20-G22 PolarHBondContact O-N 2.78Å; T20-G22 VanDerWaalsContact O-N 3.11Å; T20-A33 CarbonylContact C-O 3.52Å
21G47.2Very low54.8Low54 Ų5488.2 Ų88.256%0.55754%0.54SS*.G310 helixtrans-64.31.9175.700000117.9F18 Q19 A33F18-G21 PolarHBondContact O-N 3.41Å; Q19-G21 PolarHBondContact O-N 2.85Å; G21-A33 WeakPolarHBondContact CA-O 3.32Å
22G49.7Very low54.4Low44 Ų4486.5 Ų86.545%0.45453%0.53SS..SBendtrans-91165.6-172.300000115.1T20 G24T20-G22 PolarHBondContact O-N 2.78Å; T20-G22 VanDerWaalsContact O-N 3.11Å; G22-G24 PolarHBondContact O-N 3.44Å; G22-G24 VanDerWaalsContact O-N 3.13Å
23V49.2Very low54.4Low127 Ų12785.2 Ų85.277%0.7752%0.523SS*.  trans-70.799.9166.3-173.80000108.2L35V23-L35 VanDerWaalsContact CA-O 3.27Å; V23-L35 WeakPolarHBondContact CA-O 3.16Å; V23-L35 HydrophobicContact CG2-CB 4.24Å; V23-L35 HydrophobicContact CG2-CD1 4.46Å
24G52.4Low54.9Low26 Ų2682.9 Ų82.927%0.26851%0.512SS..BIsolated β-bridgetrans-121.6147.1-173.400000113.9G22 L35 G36 V37G22-G24 PolarHBondContact O-N 3.44Å; G22-G24 VanDerWaalsContact O-N 3.13Å; G24-L35 PolarHBondContact N-O 3.42Å; G24-G36 VanDerWaalsContact O-CA 3.31Å; G24-G36 WeakPolarHBondContact O-CA 3.42Å; G24-V37 PolarHBondContact O-N 3.41Å
25V53.8Low55.4Low119 Ų11983.8 Ų83.872%0.72151%0.514SS*.  trans-119.596.4170.8-168.90000108.6V37V25-V37 WeakPolarHBondContact CA-O 3.38Å; V25-V37 WeakPolarHBondContact CG1-O 3.39Å
26D55.1Low56.1Low75 Ų7582 Ų8240%0.40151%0.506SS..  trans-136.9141.7178-7.5-80.8000112.9K32 G38D26-K32 PolarHBondContact O-NZ 3.07Å; D26-K32 VanDerWaalsContact OD2-CE 3.23Å; D26-K32 WeakPolarHBondContact OD2-CE 3.16Å; D26-K32 IonicContact OD2-NZ 2.64Å; D26-K32 PolarHBondContact OD2-NZ 3.18Å; D26-G38 WeakPolarHBondContact O-CA 3.29Å
27G59Low57Low51 Ų5179.6 Ų79.653%0.52650%0.496SS..  trans-91.80.5-175.700000115.5D39G27-D39 CarbonylContact C-O 3.53Å; G27-D39 VanDerWaalsContact C-O 3.23Å; G27-D39 VanDerWaalsContact CA-O 3.22Å; G27-D39 WeakPolarHBondContact CA-O 3.1Å
28D58.7Low57.9Low125 Ų12573.4 Ų73.467%0.66847%0.471SS*.SBendtrans-99.2160.2-170.6-64-48.7000114.3
29A65.5Low59.4Low83 Ų8369.8 Ų69.869%0.68646%0.459SS*.  trans-71.2128.4177.100000111.9A41A29-A41 WeakPolarHBondContact CA-O 3.48Å; A29-A41 WeakPolarHBondContact CB-O 3.48Å
30G65Low60.5Low30 Ų3063.5 Ų63.531%0.30944%0.436SS..EExtended strand (participates in β ladder)trans179.8175.6-17800000115.4A41 G42 I43G30-A41 PolarHBondContact N-O 3.21Å; G30-G42 WeakPolarHBondContact O-CA 3.22Å; G30-I43 PolarHBondContact O-N 2.84Å
31I66.3Low61.5Low105 Ų10563.2 Ų63.254%0.53844%0.44SS..EExtended strand (participates in β ladder)trans-97.3121.3172.3-56176.6000107.5I43I31-I43 WeakPolarHBondContact CA-O 3.28Å; I31-I43 HydrophobicContact CG1-CB 4.39Å
32K63.8Low62.6Low47 Ų4761.7 Ų61.720%0.20442%0.424CS..EExtended strand (participates in β ladder)trans-132.5134.4179.5-59.2-179.7-169.8173.80110.3D26 I43 K44 A45D26-K32 PolarHBondContact O-NZ 3.07Å; D26-K32 VanDerWaalsContact OD2-CE 3.23Å; D26-K32 WeakPolarHBondContact OD2-CE 3.16Å; D26-K32 IonicContact OD2-NZ 2.64Å; D26-K32 PolarHBondContact OD2-NZ 3.18Å; K32-I43 PolarHBondContact N-O 2.9Å; K32-K44 WeakPolarHBondContact O-CA 3.02Å; K32-A45 PolarHBondContact O-N 3.15Å
33A66.8Low63.6Low49 Ų4963.9 Ų63.941%0.40542%0.424SS..EExtended strand (participates in β ladder)trans-118.9117.1172.900000109.1T20 G21 A45T20-A33 CarbonylContact C-O 3.52Å; G21-A33 WeakPolarHBondContact CA-O 3.32Å; A33-A45 CarbonylContact C-O 3.59Å; A33-A45 VanDerWaalsContact CA-O 3.24Å; A33-A45 WeakPolarHBondContact CA-O 3.39Å
34G68.7Low64.5Low30 Ų3059.9 Ų59.931%0.30940%0.396SS..EExtended strand (participates in β ladder)trans151.9-162.5179.800000115.5A45 G46 L47G34-A45 PolarHBondContact N-O 3.14Å; G34-G46 WeakPolarHBondContact O-CA 3.42Å; G34-L47 PolarHBondContact O-N 3.06Å
35L64.8Low65.4Low92 Ų9261.1 Ų61.148%0.48240%0.404SS..EExtended strand (participates in β ladder)trans-90.6128.7172.7-57178.1000108.6V23 G24 L47V23-L35 VanDerWaalsContact CA-O 3.27Å; V23-L35 WeakPolarHBondContact CA-O 3.16Å; V23-L35 HydrophobicContact CG2-CB 4.24Å; V23-L35 HydrophobicContact CG2-CD1 4.46Å; G24-L35 PolarHBondContact N-O 3.42Å; L35-L47 VanDerWaalsContact CA-O 3.27Å; L35-L47 WeakPolarHBondContact CA-O 3.12Å; L35-L47 HydrophobicContact CD2-CB 3.44Å; L35-L47 VanDerWaalsContact CD2-CB 3.44Å; L35-L47 HydrophobicContact CD2-CD1 3.54Å; L35-L47 HydrophobicContact CD2-CG 3.6Å
36G63.7Low66.3Low27 Ų2757.1 Ų57.128%0.27839%0.387SS..EExtended strand (participates in β ladder)trans-168.5155.4178.800000115.4G24 L47 G48 L49G24-G36 VanDerWaalsContact O-CA 3.31Å; G24-G36 WeakPolarHBondContact O-CA 3.42Å; G36-L47 PolarHBondContact N-O 3.32Å; G36-L47 VanDerWaalsContact N-O 3.11Å; G36-G48 CarbonylContact O-C 3.58Å; G36-G48 WeakPolarHBondContact O-CA 3.08Å; G36-L49 PolarHBondContact O-N 3.3Å; G36-L49 VanDerWaalsContact O-N 3.08Å
37V66.4Low66.9Low76 Ų7657.7 Ų57.746%0.46139%0.389SS..EExtended strand (participates in β ladder)trans-114.5122.7171-1780000107.1G24 V25 L49G24-V37 PolarHBondContact O-N 3.41Å; V25-V37 WeakPolarHBondContact CA-O 3.38Å; V25-V37 WeakPolarHBondContact CG1-O 3.39Å; V37-L49 CarbonylContact C-O 3.56Å; V37-L49 VanDerWaalsContact CA-O 3.24Å; V37-L49 WeakPolarHBondContact CA-O 3.36Å; V37-L49 HydrophobicContact CG1-CB 4.15Å; V37-L49 HydrophobicContact CG2-CB 4.07Å; V37-L49 HydrophobicContact CG2-CD1 4.3Å; V37-L49 HydrophobicContact CG2-CG 4.45Å
38G64.2Low67.3Low6 Ų656.7 Ų56.76%0.06238%0.38CS..  trans-174.3146.5177.800000114D26 K44 L49 G50D26-G38 WeakPolarHBondContact O-CA 3.29Å; G38-K44 PolarHBondContact O-NZ 3.3Å; G38-L49 PolarHBondContact N-O 2.91Å; G38-G50 WeakPolarHBondContact O-CA 3.28Å
39D70.7Confident67.8Low87 Ų8755.2 Ų55.247%0.46537%0.371SS..  trans-92.5162.2177.1-59.2-32.3000110.2G27 V51G27-D39 CarbonylContact C-O 3.53Å; G27-D39 VanDerWaalsContact C-O 3.23Å; G27-D39 VanDerWaalsContact CA-O 3.22Å; G27-D39 WeakPolarHBondContact CA-O 3.1Å; D39-V51 CarbonylContact C-O 3.51Å; D39-V51 WeakPolarHBondContact CA-O 3.4Å; D39-V51 WeakPolarHBondContact CB-O 3.2Å; D39-V51 WeakPolarHBondContact OD1-CA 3.31Å; D39-V51 VanDerWaalsContact OD1-CB 3.31Å; D39-V51 WeakPolarHBondContact OD1-CB 3.15Å; D39-V51 PolarHBondContact OD1-N 2.94Å
40G69.6Low67.8Low25 Ų2551.7 Ų51.726%0.25834%0.343SS..SBendtrans116.2176.6177.600000115V51 G52G40-V51 PolarHBondContact N-O 3.12Å; G40-G52 WeakPolarHBondContact O-CA 3.3Å
41A72Confident68.1Low50 Ų5053.8 Ų53.841%0.41335%0.349SS..SBendtrans-101.2129.7-170.100000113A29 G30 A53A29-A41 WeakPolarHBondContact CA-O 3.48Å; A29-A41 WeakPolarHBondContact CB-O 3.48Å; G30-A41 PolarHBondContact N-O 3.21Å; A41-A53 CarbonylContact C-O 3.51Å; A41-A53 WeakPolarHBondContact CA-O 3.13Å
42G70.5Confident68.3Low21 Ų2149.5 Ų49.522%0.21633%0.332CS..EExtended strand (participates in β ladder)trans169.5-171178.900000116.5G30 A53 G54 V55G30-G42 WeakPolarHBondContact O-CA 3.22Å; G42-A53 PolarHBondContact N-O 2.9Å; G42-G54 WeakPolarHBondContact O-CA 3.34Å; G42-V55 PolarHBondContact O-N 3.25Å; G42-V55 VanDerWaalsContact O-N 3.11Å
43I70.5Confident68.8Low91 Ų9149.5 Ų49.547%0.46734%0.34SS..EExtended strand (participates in β ladder)trans-102.1112.8176.7-55177.4000107.7G30 I31 K32 V55G30-I43 PolarHBondContact O-N 2.84Å; I31-I43 WeakPolarHBondContact CA-O 3.28Å; I31-I43 HydrophobicContact CG1-CB 4.39Å; K32-I43 PolarHBondContact N-O 2.9Å; I43-V55 CarbonylContact C-O 3.45Å; I43-V55 VanDerWaalsContact CA-O 3.29Å; I43-V55 WeakPolarHBondContact CA-O 3.43Å; I43-V55 HydrophobicContact CG1-CB 4.36Å; I43-V55 HydrophobicContact CG2-CB 4.49Å
44K67.7Low69.2Low42 Ų4248.4 Ų48.418%0.18333%0.333CS..EExtended strand (participates in β ladder)trans-116.2128.6179.5-60.5-175-177.8-174.10109.7K32 G38 V55 K56 G57K32-K44 WeakPolarHBondContact O-CA 3.02Å; G38-K44 PolarHBondContact O-NZ 3.3Å; K44-V55 PolarHBondContact N-O 3.31Å; K44-K56 HydrophobicContact CB-CG 4.41Å; K44-K56 CarbonylContact O-C 3.49Å; K44-K56 VanDerWaalsContact O-CA 3.31Å; K44-K56 WeakPolarHBondContact O-CA 3.11Å; K44-G57 PolarHBondContact O-N 3.25Å
45A70.2Confident69.4Low52 Ų5250.4 Ų50.443%0.4334%0.34SS..EExtended strand (participates in β ladder)trans-118.6122.317200000110K32 A33 G34 G57K32-A45 PolarHBondContact O-N 3.15Å; A33-A45 CarbonylContact C-O 3.59Å; A33-A45 VanDerWaalsContact CA-O 3.24Å; A33-A45 WeakPolarHBondContact CA-O 3.39Å; G34-A45 PolarHBondContact N-O 3.14Å; A45-G57 CarbonylContact C-O 3.57Å; A45-G57 VanDerWaalsContact CA-O 3.29Å; A45-G57 WeakPolarHBondContact CA-O 3.03Å
46G72.6Confident69.6Low35 Ų3548 Ų4836%0.36133%0.325SS..EExtended strand (participates in β ladder)trans137.7-154.5176.500000114.6G34 G57 G58 L59G34-G46 WeakPolarHBondContact O-CA 3.42Å; G46-G57 PolarHBondContact N-O 3.09Å; G46-G58 WeakPolarHBondContact O-CA 3.19Å; G46-L59 PolarHBondContact O-N 3.32Å
47L69.3Low70Confident87 Ų8748.2 Ų48.246%0.45533%0.327SS..EExtended strand (participates in β ladder)trans-96.6124.7175.5-44.7175.8000110.1G34 L35 G36 L59G34-L47 PolarHBondContact O-N 3.06Å; L35-L47 VanDerWaalsContact CA-O 3.27Å; L35-L47 WeakPolarHBondContact CA-O 3.12Å; L35-L47 HydrophobicContact CD2-CB 3.44Å; L35-L47 VanDerWaalsContact CD2-CB 3.44Å; L35-L47 HydrophobicContact CD2-CD1 3.54Å; L35-L47 HydrophobicContact CD2-CG 3.6Å; G36-L47 PolarHBondContact N-O 3.32Å; G36-L47 VanDerWaalsContact N-O 3.11Å; L47-L59 WeakPolarHBondContact CA-O 3.46Å; L47-L59 HydrophobicContact CD2-CB 3.48Å; L47-L59 VanDerWaalsContact CD2-CB 3.48Å; L47-L59 HydrophobicContact CD2-CD1 3.28Å; L47-L59 HydrophobicContact CD2-CG 3.94Å
48G66.4Low70.5Confident31 Ų3146.3 Ų46.332%0.3232%0.323SS..EExtended strand (participates in β ladder)trans-162.2159.717900000117.4G36 L59 G60 V61G36-G48 CarbonylContact O-C 3.58Å; G36-G48 WeakPolarHBondContact O-CA 3.08Å; G48-L59 PolarHBondContact N-O 3.27Å; G48-L59 VanDerWaalsContact N-O 3.12Å; G48-G60 CarbonylContact O-C 3.51Å; G48-G60 WeakPolarHBondContact O-CA 3.36Å; G48-V61 PolarHBondContact O-N 2.67Å; G48-V61 VanDerWaalsContact O-N 3.09Å
49L68.3Low70.9Confident93 Ų9350.3 Ų50.349%0.48734%0.342SS..EExtended strand (participates in β ladder)trans-110.7142171.8-55.5174.5000109.2G36 V37 G38 V61G36-L49 PolarHBondContact O-N 3.3Å; G36-L49 VanDerWaalsContact O-N 3.08Å; V37-L49 CarbonylContact C-O 3.56Å; V37-L49 VanDerWaalsContact CA-O 3.24Å; V37-L49 WeakPolarHBondContact CA-O 3.36Å; V37-L49 HydrophobicContact CG1-CB 4.15Å; V37-L49 HydrophobicContact CG2-CB 4.07Å; V37-L49 HydrophobicContact CG2-CD1 4.3Å; V37-L49 HydrophobicContact CG2-CG 4.45Å; G38-L49 PolarHBondContact N-O 2.91Å; L49-V61 VanDerWaalsContact CA-O 3.23Å; L49-V61 WeakPolarHBondContact CA-O 3.32Å; L49-V61 HydrophobicContact CD2-CB 3.48Å; L49-V61 VanDerWaalsContact CD2-CB 3.48Å; L49-V61 HydrophobicContact CD2-CG2 3.92Å
50G66.6Low70.9Confident9 Ų947.6 Ų47.69%0.09334%0.335CS..  trans159.6165.1167.700000116.4G38 K56 V61 G62 V63G38-G50 WeakPolarHBondContact O-CA 3.28Å; G50-K56 PolarHBondContact O-NZ 3.42Å; G50-V61 PolarHBondContact N-O 3.36Å; G50-V61 VanDerWaalsContact N-O 3.15Å; G50-G62 WeakPolarHBondContact O-CA 3.23Å; G50-V63 PolarHBondContact O-N 2.64Å
51V70.8Confident71Confident74 Ų7449.9 Ų49.945%0.44834%0.344SS..  trans-106.1122.7-176.1-173.90000110.2D39 G40 V63D39-V51 CarbonylContact C-O 3.51Å; D39-V51 WeakPolarHBondContact CA-O 3.4Å; D39-V51 WeakPolarHBondContact CB-O 3.2Å; D39-V51 WeakPolarHBondContact OD1-CA 3.31Å; D39-V51 VanDerWaalsContact OD1-CB 3.31Å; D39-V51 WeakPolarHBondContact OD1-CB 3.15Å; D39-V51 PolarHBondContact OD1-N 2.94Å; G40-V51 PolarHBondContact N-O 3.12Å; V51-V63 CarbonylContact C-O 3.51Å; V51-V63 WeakPolarHBondContact CA-O 2.99Å; V51-V63 HydrophobicContact CG1-CB 4.16Å; V51-V63 HydrophobicContact CG2-CB 4.15Å
52G71.8Confident71Confident16 Ų1647.9 Ų47.917%0.16533%0.328CS..  trans166.6177.2177.100000115.2G40 V63 G64 A65G40-G52 WeakPolarHBondContact O-CA 3.3Å; G52-V63 PolarHBondContact N-O 2.68Å; G52-G64 WeakPolarHBondContact O-CA 3.21Å; G52-A65 PolarHBondContact O-N 3.35Å
53A72.9Confident71.1Confident47 Ų4750.2 Ų50.239%0.38834%0.338SS..  trans-102.5139-178.300000112.5A41 G42 A65A41-A53 CarbonylContact C-O 3.51Å; A41-A53 WeakPolarHBondContact CA-O 3.13Å; G42-A53 PolarHBondContact N-O 2.9Å; A53-A65 CarbonylContact C-O 3.53Å; A53-A65 WeakPolarHBondContact CA-O 3.06Å
54G74.7Confident71.4Confident25 Ų2546.8 Ų46.826%0.25833%0.325SS..EExtended strand (participates in β ladder)trans146.6-160.8171.600000115.7G42 A65 G66 V67G42-G54 WeakPolarHBondContact O-CA 3.34Å; G54-A65 PolarHBondContact N-O 3.23Å; G54-G66 CarbonylContact O-C 3.5Å; G54-G66 WeakPolarHBondContact O-CA 3.36Å; G54-V67 PolarHBondContact O-N 3.29Å
55V73.5Confident71.7Confident73 Ų7347.1 Ų47.144%0.44234%0.335SS..EExtended strand (participates in β ladder)trans-101.4114.1-176.2-174.50000109G42 I43 K44 V67G42-V55 PolarHBondContact O-N 3.25Å; G42-V55 VanDerWaalsContact O-N 3.11Å; I43-V55 CarbonylContact C-O 3.45Å; I43-V55 VanDerWaalsContact CA-O 3.29Å; I43-V55 WeakPolarHBondContact CA-O 3.43Å; I43-V55 HydrophobicContact CG1-CB 4.36Å; I43-V55 HydrophobicContact CG2-CB 4.49Å; K44-V55 PolarHBondContact N-O 3.31Å; V55-V67 CarbonylContact C-O 3.59Å; V55-V67 VanDerWaalsContact CA-O 3.25Å; V55-V67 WeakPolarHBondContact CA-O 3.27Å; V55-V67 HydrophobicContact CG1-CB 4.4Å; V55-V67 HydrophobicContact CG2-CB 4.3Å
56K70.1Confident72.1Confident42 Ų4245.7 Ų45.718%0.18333%0.326CS..EExtended strand (participates in β ladder)trans-112.8124.8178-60.4-172.7180-177.50110.3K44 G50 V67 K68 A69K44-K56 HydrophobicContact CB-CG 4.41Å; K44-K56 CarbonylContact O-C 3.49Å; K44-K56 VanDerWaalsContact O-CA 3.31Å; K44-K56 WeakPolarHBondContact O-CA 3.11Å; G50-K56 PolarHBondContact O-NZ 3.42Å; K56-V67 PolarHBondContact N-O 3.4Å; K56-K68 HydrophobicContact CB-CG 4.31Å; K56-K68 CarbonylContact O-C 3.5Å; K56-K68 VanDerWaalsContact O-CA 3.29Å; K56-K68 WeakPolarHBondContact O-CA 3.41Å; K56-A69 PolarHBondContact O-N 3.4Å
57G71.6Confident72.2Confident31 Ų3147.3 Ų47.332%0.3233%0.329SS..EExtended strand (participates in β ladder)trans-110134168.800000110.9K44 A45 G46 A69K44-G57 PolarHBondContact O-N 3.25Å; A45-G57 CarbonylContact C-O 3.57Å; A45-G57 VanDerWaalsContact CA-O 3.29Å; A45-G57 WeakPolarHBondContact CA-O 3.03Å; G46-G57 PolarHBondContact N-O 3.09Å; G57-A69 CarbonylContact C-O 3.45Å; G57-A69 VanDerWaalsContact CA-O 3.3Å; G57-A69 WeakPolarHBondContact CA-O 3.11Å
58G76.8Confident72.4Confident36 Ų3645 Ų4537%0.37132%0.315SS..EExtended strand (participates in β ladder)trans120.6-155.3173.900000114.3G46 A69 G70 L71G46-G58 WeakPolarHBondContact O-CA 3.19Å; G58-A69 PolarHBondContact N-O 3.1Å; G58-G70 WeakPolarHBondContact O-CA 3.38Å; G58-L71 PolarHBondContact O-N 2.98Å; G58-L71 VanDerWaalsContact O-N 3.15Å
59L72.1Confident72.9Confident89 Ų8946.1 Ų46.147%0.46632%0.321SS..EExtended strand (participates in β ladder)trans-98139.7174.4-53.9104.2000112.3G46 L47 G48 L71G46-L59 PolarHBondContact O-N 3.32Å; L47-L59 WeakPolarHBondContact CA-O 3.46Å; L47-L59 HydrophobicContact CD2-CB 3.48Å; L47-L59 VanDerWaalsContact CD2-CB 3.48Å; L47-L59 HydrophobicContact CD2-CD1 3.28Å; L47-L59 HydrophobicContact CD2-CG 3.94Å; G48-L59 PolarHBondContact N-O 3.27Å; G48-L59 VanDerWaalsContact N-O 3.12Å; L59-L71 CarbonylContact C-O 3.51Å; L59-L71 WeakPolarHBondContact CA-O 3.1Å; L59-L71 HydrophobicContact CB-CB 4.48Å; L59-L71 WeakPolarHBondContact CB-O 3.31Å; L59-L71 HydrophobicContact CD2-CB 3.49Å; L59-L71 VanDerWaalsContact CD2-CB 3.49Å; L59-L71 HydrophobicContact CD2-CD1 3.7Å; L59-L71 HydrophobicContact CD2-CG 4.17Å; L59-L71 HydrophobicContact CG-CB 3.8Å; L59-L71 HydrophobicContact CG-CD1 4.31Å; L59-L71 HydrophobicContact CG-CG 4.49Å
60G70.4Confident73.3Confident30 Ų3043.3 Ų43.331%0.30932%0.315SS..EExtended strand (participates in β ladder)trans-177.5166.117500000116.2G48 L71 G72 V73G48-G60 CarbonylContact O-C 3.51Å; G48-G60 WeakPolarHBondContact O-CA 3.36Å; G60-L71 PolarHBondContact N-O 3.46Å; G60-L71 VanDerWaalsContact N-O 3.1Å; G60-G72 CarbonylContact O-C 3.23Å; G60-G72 WeakPolarHBondContact O-CA 3.14Å; G60-V73 PolarHBondContact O-N 2.93Å
61V72.1Confident73.7Confident74 Ų7446.7 Ų46.745%0.44833%0.33SS..EExtended strand (participates in β ladder)trans-115.8128.3172.3-172.40000109.8G48 L49 G50 V73G48-V61 PolarHBondContact O-N 2.67Å; G48-V61 VanDerWaalsContact O-N 3.09Å; L49-V61 VanDerWaalsContact CA-O 3.23Å; L49-V61 WeakPolarHBondContact CA-O 3.32Å; L49-V61 HydrophobicContact CD2-CB 3.48Å; L49-V61 VanDerWaalsContact CD2-CB 3.48Å; L49-V61 HydrophobicContact CD2-CG2 3.92Å; G50-V61 PolarHBondContact N-O 3.36Å; G50-V61 VanDerWaalsContact N-O 3.15Å; V61-V73 CarbonylContact C-O 3.54Å; V61-V73 WeakPolarHBondContact CA-O 3.25Å; V61-V73 HydrophobicContact CG1-CB 4.05Å; V61-V73 HydrophobicContact CG1-CG1 4.4Å; V61-V73 WeakPolarHBondContact CG1-O 3.29Å; V61-V73 HydrophobicContact CG2-CB 4.04Å
62G71.3Confident73.7Confident7 Ų744.8 Ų44.87%0.07233%0.325CS..  trans-172.8153.5179.700000116.1G50 K68 V73 G74 V75G50-G62 WeakPolarHBondContact O-CA 3.23Å; G62-K68 PolarHBondContact O-NZ 3.43Å; G62-K68 VanDerWaalsContact O-NZ 3.1Å; G62-V73 PolarHBondContact N-O 2.65Å; G62-G74 WeakPolarHBondContact O-CA 3.02Å; G62-V75 PolarHBondContact O-N 3.48Å
63V73.2Confident73.8Confident70 Ų7047.4 Ų47.442%0.42434%0.338SS..  trans-98.8141.7177.2-175.50000109.7G50 V51 G52 V75G50-V63 PolarHBondContact O-N 2.64Å; V51-V63 CarbonylContact C-O 3.51Å; V51-V63 WeakPolarHBondContact CA-O 2.99Å; V51-V63 HydrophobicContact CG1-CB 4.16Å; V51-V63 HydrophobicContact CG2-CB 4.15Å; G52-V63 PolarHBondContact N-O 2.68Å; V63-V75 CarbonylContact C-O 3.5Å; V63-V75 WeakPolarHBondContact CA-O 3.47Å; V63-V75 HydrophobicContact CG1-CB 4.31Å; V63-V75 HydrophobicContact CG2-CB 4.27Å
64G76.5Confident73.8Confident20 Ų2045.4 Ų45.421%0.20632%0.322CS..SBendtrans135.6-175.8171.100000114.8G52 V75 G76G52-G64 WeakPolarHBondContact O-CA 3.21Å; G64-V75 PolarHBondContact N-O 2.76Å; G64-G76 WeakPolarHBondContact O-CA 3.5Å
65A75Confident73.7Confident48 Ų4847.8 Ų47.840%0.39733%0.331SS..SBendtrans-104.4136-168.400000113.4G52 A53 G54 A77G52-A65 PolarHBondContact O-N 3.35Å; A53-A65 CarbonylContact C-O 3.53Å; A53-A65 WeakPolarHBondContact CA-O 3.06Å; G54-A65 PolarHBondContact N-O 3.23Å; A65-A77 CarbonylContact C-O 3.45Å; A65-A77 WeakPolarHBondContact CA-O 3.18Å
66G78Confident73.8Confident23 Ų2345.2 Ų45.224%0.23732%0.32CS..EExtended strand (participates in β ladder)trans148.4-159.5169.600000115.5G54 A77 G78 V79G54-G66 CarbonylContact O-C 3.5Å; G54-G66 WeakPolarHBondContact O-CA 3.36Å; G66-A77 PolarHBondContact N-O 2.89Å; G66-G78 CarbonylContact O-C 3.58Å; G66-G78 WeakPolarHBondContact O-CA 3.31Å; G66-V79 PolarHBondContact O-N 3.19Å
67V75.9Confident74Confident68 Ų6845.5 Ų45.541%0.41233%0.33SS..EExtended strand (participates in β ladder)trans-99.3119.7-175.4-174.90000109.2G54 V55 K56 V79G54-V67 PolarHBondContact O-N 3.29Å; V55-V67 CarbonylContact C-O 3.59Å; V55-V67 VanDerWaalsContact CA-O 3.25Å; V55-V67 WeakPolarHBondContact CA-O 3.27Å; V55-V67 HydrophobicContact CG1-CB 4.4Å; V55-V67 HydrophobicContact CG2-CB 4.3Å; K56-V67 PolarHBondContact N-O 3.4Å; V67-V79 CarbonylContact C-O 3.5Å; V67-V79 VanDerWaalsContact CA-O 3.25Å; V67-V79 WeakPolarHBondContact CA-O 3.07Å; V67-V79 HydrophobicContact CG1-CB 4.44Å; V67-V79 HydrophobicContact CG2-CB 4.34Å
68K72.8Confident74.3Confident40 Ų4045.2 Ų45.217%0.17433%0.327CS..EExtended strand (participates in β ladder)trans-117.1126.9177.4-57.5-172.3-178.5179.50110.1K56 G62 V79 K80 A81K56-K68 HydrophobicContact CB-CG 4.31Å; K56-K68 CarbonylContact O-C 3.5Å; K56-K68 VanDerWaalsContact O-CA 3.29Å; K56-K68 WeakPolarHBondContact O-CA 3.41Å; G62-K68 PolarHBondContact O-NZ 3.43Å; G62-K68 VanDerWaalsContact O-NZ 3.1Å; K68-V79 PolarHBondContact N-O 3.42Å; K68-K80 HydrophobicContact CB-CG 4.31Å; K68-K80 CarbonylContact O-C 3.59Å; K68-K80 VanDerWaalsContact O-CA 3.31Å; K68-K80 WeakPolarHBondContact O-CA 3.03Å; K68-A81 PolarHBondContact O-N 3.28Å
69A75.9Confident74.3Confident53 Ų5346.5 Ų46.544%0.43833%0.328SS..EExtended strand (participates in β ladder)trans-115.9122.5170.600000109.6K56 G57 G58 A81K56-A69 PolarHBondContact O-N 3.4Å; G57-A69 CarbonylContact C-O 3.45Å; G57-A69 VanDerWaalsContact CA-O 3.3Å; G57-A69 WeakPolarHBondContact CA-O 3.11Å; G58-A69 PolarHBondContact N-O 3.1Å; A69-A81 CarbonylContact C-O 3.53Å; A69-A81 VanDerWaalsContact CA-O 3.31Å; A69-A81 WeakPolarHBondContact CA-O 3.19Å
70G78.2Confident74.3Confident35 Ų3544.1 Ų44.136%0.36131%0.313SS..EExtended strand (participates in β ladder)trans127.7-152.6176.500000114.4G58 A81 G82 L83G58-G70 WeakPolarHBondContact O-CA 3.38Å; G70-A81 PolarHBondContact N-O 3.17Å; G70-G82 WeakPolarHBondContact O-CA 3.08Å; G70-L83 PolarHBondContact O-N 3.28Å
71L73.4Confident74.5Confident80 Ų8045.1 Ų45.142%0.41932%0.319SS..EExtended strand (participates in β ladder)trans-106.2115.3-171.4-61.5174.1000111.2G58 L59 G60 L83G58-L71 PolarHBondContact O-N 2.98Å; G58-L71 VanDerWaalsContact O-N 3.15Å; L59-L71 CarbonylContact C-O 3.51Å; L59-L71 WeakPolarHBondContact CA-O 3.1Å; L59-L71 HydrophobicContact CB-CB 4.48Å; L59-L71 WeakPolarHBondContact CB-O 3.31Å; L59-L71 HydrophobicContact CD2-CB 3.49Å; L59-L71 VanDerWaalsContact CD2-CB 3.49Å; L59-L71 HydrophobicContact CD2-CD1 3.7Å; L59-L71 HydrophobicContact CD2-CG 4.17Å; L59-L71 HydrophobicContact CG-CB 3.8Å; L59-L71 HydrophobicContact CG-CD1 4.31Å; L59-L71 HydrophobicContact CG-CG 4.49Å; G60-L71 PolarHBondContact N-O 3.46Å; G60-L71 VanDerWaalsContact N-O 3.1Å; L71-L83 CarbonylContact C-O 3.46Å; L71-L83 WeakPolarHBondContact CA-O 3.41Å; L71-L83 HydrophobicContact CD2-CB 3.29Å; L71-L83 HydrophobicContact CD2-CD1 3.52Å; L71-L83 HydrophobicContact CD2-CG 3.43Å; L71-L83 VanDerWaalsContact CD2-CG 3.43Å
72G72.6Confident74.7Confident33 Ų3343.2 Ų43.234%0.3431%0.314SS..EExtended strand (participates in β ladder)trans-162.9162.6-17600000117.7G60 L83 G84 V85G60-G72 CarbonylContact O-C 3.23Å; G60-G72 WeakPolarHBondContact O-CA 3.14Å; G72-L83 PolarHBondContact N-O 3.01Å; G72-L83 VanDerWaalsContact N-O 3.07Å; G72-G84 CarbonylContact O-C 3.55Å; G72-G84 WeakPolarHBondContact O-CA 3.41Å; G72-V85 PolarHBondContact O-N 3.2Å
73V72.6Confident74.7Confident72 Ų7247 Ų4744%0.43633%0.332SS..EExtended strand (participates in β ladder)trans-109.1135.3173.3-175.40000109.2G60 V61 G62 V85G60-V73 PolarHBondContact O-N 2.93Å; V61-V73 CarbonylContact C-O 3.54Å; V61-V73 WeakPolarHBondContact CA-O 3.25Å; V61-V73 HydrophobicContact CG1-CB 4.05Å; V61-V73 HydrophobicContact CG1-CG1 4.4Å; V61-V73 WeakPolarHBondContact CG1-O 3.29Å; V61-V73 HydrophobicContact CG2-CB 4.04Å; G62-V73 PolarHBondContact N-O 2.65Å; V73-V85 CarbonylContact C-O 3.55Å; V73-V85 WeakPolarHBondContact CA-O 3.08Å; V73-V85 HydrophobicContact CG1-CB 4.28Å; V73-V85 WeakPolarHBondContact CG1-O 3.22Å; V73-V85 HydrophobicContact CG2-CB 4.18Å
74G72.3Confident74.5Confident5 Ų545 Ų455%0.05233%0.326CS..  trans176.3152.6176.300000117.3G62 K80 V85 G86 V87G62-G74 WeakPolarHBondContact O-CA 3.02Å; G74-K80 PolarHBondContact O-NZ 2.89Å; G74-K80 VanDerWaalsContact O-NZ 3.11Å; G74-V85 PolarHBondContact N-O 2.91Å; G74-G86 WeakPolarHBondContact O-CA 3.42Å; G74-V87 PolarHBondContact O-N 2.97Å
75V72.9Confident74.1Confident74 Ų7447.3 Ų47.345%0.44834%0.336SS..  trans-100.7134.9179.3-1760000110.1G62 V63 G64 V87G62-V75 PolarHBondContact O-N 3.48Å; V63-V75 CarbonylContact C-O 3.5Å; V63-V75 WeakPolarHBondContact CA-O 3.47Å; V63-V75 HydrophobicContact CG1-CB 4.31Å; V63-V75 HydrophobicContact CG2-CB 4.27Å; G64-V75 PolarHBondContact N-O 2.76Å; V75-V87 CarbonylContact C-O 3.51Å; V75-V87 WeakPolarHBondContact CA-O 3.44Å; V75-V87 HydrophobicContact CG1-CB 4.38Å; V75-V87 HydrophobicContact CG2-CB 4.34Å
76G76.7Confident73.9Confident20 Ų2045.3 Ų45.321%0.20632%0.321CS..SBendtrans142.5-178.2172.700000114.5G64 V87 G88G64-G76 WeakPolarHBondContact O-CA 3.5Å; G76-V87 PolarHBondContact N-O 2.91Å; G76-G88 WeakPolarHBondContact O-CA 3.25Å
77A74.9Confident73.5Confident48 Ų4847.7 Ų47.740%0.39733%0.33SS..  trans-98.7146.1-171.700000113.3A65 G66 A89A65-A77 CarbonylContact C-O 3.45Å; A65-A77 WeakPolarHBondContact CA-O 3.18Å; G66-A77 PolarHBondContact N-O 2.89Å; A77-A89 CarbonylContact C-O 3.57Å; A77-A89 WeakPolarHBondContact CA-O 3.44Å
78G77.8Confident73.3Confident24 Ų2445.3 Ų45.325%0.24732%0.319CS..EExtended strand (participates in β ladder)trans137.4-162.8168.500000115.4G66 A89 G90 I91G66-G78 CarbonylContact O-C 3.58Å; G66-G78 WeakPolarHBondContact O-CA 3.31Å; G78-A89 PolarHBondContact N-O 2.93Å; G78-G90 WeakPolarHBondContact O-CA 3.38Å; G78-I91 PolarHBondContact O-N 3.34Å
79V75Confident73.2Confident64 Ų6445.8 Ų45.839%0.38833%0.331SS..EExtended strand (participates in β ladder)trans-97.7122.1-173.2-175.10000109.5G66 V67 K68 I91G66-V79 PolarHBondContact O-N 3.19Å; V67-V79 CarbonylContact C-O 3.5Å; V67-V79 VanDerWaalsContact CA-O 3.25Å; V67-V79 WeakPolarHBondContact CA-O 3.07Å; V67-V79 HydrophobicContact CG1-CB 4.44Å; V67-V79 HydrophobicContact CG2-CB 4.34Å; K68-V79 PolarHBondContact N-O 3.42Å; V79-I91 CarbonylContact C-O 3.45Å; V79-I91 VanDerWaalsContact CA-O 3.27Å; V79-I91 WeakPolarHBondContact CA-O 3.24Å; V79-I91 HydrophobicContact CG1-CB 4.46Å; V79-I91 HydrophobicContact CG2-CB 4.39Å
80K72.5Confident73.1Confident38 Ų3844.2 Ų44.217%0.16532%0.32CS..EExtended strand (participates in β ladder)trans-118.4128.6177.6-57.3-173.5-177.1179.20110.3K68 G74 I91 K92 A93K68-K80 HydrophobicContact CB-CG 4.31Å; K68-K80 CarbonylContact O-C 3.59Å; K68-K80 VanDerWaalsContact O-CA 3.31Å; K68-K80 WeakPolarHBondContact O-CA 3.03Å; G74-K80 PolarHBondContact O-NZ 2.89Å; G74-K80 VanDerWaalsContact O-NZ 3.11Å; K80-I91 PolarHBondContact N-O 3.02Å; K80-K92 HydrophobicContact CB-CG 4.27Å; K80-K92 CarbonylContact O-C 3.56Å; K80-K92 VanDerWaalsContact O-CA 3.3Å; K80-K92 WeakPolarHBondContact O-CA 3.31Å; K80-A93 PolarHBondContact O-N 2.91Å
81A74.3Confident72.8Confident51 Ų5146.7 Ų46.742%0.42132%0.324SS..EExtended strand (participates in β ladder)trans-117123.2169.500000109.5K68 A69 G70 A93K68-A81 PolarHBondContact O-N 3.28Å; A69-A81 CarbonylContact C-O 3.53Å; A69-A81 VanDerWaalsContact CA-O 3.31Å; A69-A81 WeakPolarHBondContact CA-O 3.19Å; G70-A81 PolarHBondContact N-O 3.17Å; A81-A93 CarbonylContact C-O 3.51Å; A81-A93 WeakPolarHBondContact CA-O 3.3Å
82G76.5Confident72.7Confident35 Ų3544.5 Ų44.536%0.36131%0.311SS..SBendtrans127.3-162.9178.100000114G70 A93G70-G82 WeakPolarHBondContact O-CA 3.08Å; G82-A93 PolarHBondContact N-O 3.43Å
83L71.1Confident72.6Confident85 Ų8545.2 Ų45.245%0.44531%0.314SS..SBendtrans-94.4134.7178.5-38169.7000111.1G70 L71 G72 L95G70-L83 PolarHBondContact O-N 3.28Å; L71-L83 CarbonylContact C-O 3.46Å; L71-L83 WeakPolarHBondContact CA-O 3.41Å; L71-L83 HydrophobicContact CD2-CB 3.29Å; L71-L83 HydrophobicContact CD2-CD1 3.52Å; L71-L83 HydrophobicContact CD2-CG 3.43Å; L71-L83 VanDerWaalsContact CD2-CG 3.43Å; G72-L83 PolarHBondContact N-O 3.01Å; G72-L83 VanDerWaalsContact N-O 3.07Å; L83-L95 WeakPolarHBondContact CA-O 3.33Å; L83-L95 HydrophobicContact CD2-CB 3.45Å; L83-L95 VanDerWaalsContact CD2-CB 3.45Å; L83-L95 HydrophobicContact CD2-CD1 3.64Å; L83-L95 HydrophobicContact CD2-CG 3.49Å; L83-L95 VanDerWaalsContact CD2-CG 3.49Å
84G69.5Low72.6Confident29 Ų2943.5 Ų43.530%0.29931%0.311SS..EExtended strand (participates in β ladder)trans-172162.6177.400000116.6G72 L95 G96 L97G72-G84 CarbonylContact O-C 3.55Å; G72-G84 WeakPolarHBondContact O-CA 3.41Å; G84-L95 PolarHBondContact N-O 3.03Å; G84-G96 CarbonylContact O-C 3.53Å; G84-G96 WeakPolarHBondContact O-CA 3.03Å; G84-L97 PolarHBondContact O-N 2.97Å
85V68.9Low72.2Confident68 Ų6847.5 Ų47.541%0.41233%0.33SS..EExtended strand (participates in β ladder)trans-111.6127.8174.8-174.70000108.8G72 V73 G74 L97G72-V85 PolarHBondContact O-N 3.2Å; V73-V85 CarbonylContact C-O 3.55Å; V73-V85 WeakPolarHBondContact CA-O 3.08Å; V73-V85 HydrophobicContact CG1-CB 4.28Å; V73-V85 WeakPolarHBondContact CG1-O 3.22Å; V73-V85 HydrophobicContact CG2-CB 4.18Å; G74-V85 PolarHBondContact N-O 2.91Å; V85-L97 CarbonylContact C-O 3.49Å; V85-L97 WeakPolarHBondContact CA-O 3.31Å; V85-L97 HydrophobicContact CB-CB 4.49Å; V85-L97 HydrophobicContact CG1-CB 4.11Å; V85-L97 HydrophobicContact CG2-CB 4.07Å; V85-L97 HydrophobicContact CG2-CD1 4.26Å; V85-L97 HydrophobicContact CG2-CG 4.45Å
86G69.5Low71.9Confident7 Ų745 Ų457%0.07232%0.32CS..  trans179.4151.3177.900000116.7G74 K92 L97G74-G86 WeakPolarHBondContact O-CA 3.42Å; G86-K92 PolarHBondContact O-NZ 3.46Å; G86-L97 PolarHBondContact N-O 3.01Å
87V69.5Low71.3Confident72 Ų7248.4 Ų48.444%0.43633%0.333SS..  trans-99133.1179.3-1760000110.3G74 V75 G76 D99G74-V87 PolarHBondContact O-N 2.97Å; V75-V87 CarbonylContact C-O 3.51Å; V75-V87 WeakPolarHBondContact CA-O 3.44Å; V75-V87 HydrophobicContact CG1-CB 4.38Å; V75-V87 HydrophobicContact CG2-CB 4.34Å; G76-V87 PolarHBondContact N-O 2.91Å; V87-D99 CarbonylContact C-O 3.46Å; V87-D99 WeakPolarHBondContact CA-O 3.27Å; V87-D99 HydrophobicContact CG1-CB 4.45Å; V87-D99 HydrophobicContact CG2-CB 4.41Å
88G72.9Confident70.9Confident18 Ų1846.8 Ų46.819%0.18632%0.321CS..SBendtrans149-179.6172.100000114.8G76 D99 G100G76-G88 WeakPolarHBondContact O-CA 3.25Å; G88-D99 PolarHBondContact N-O 2.91Å; G88-G100 WeakPolarHBondContact O-CA 3.29Å
89A70.5Confident70.4Confident50 Ų5049.4 Ų49.441%0.41333%0.329SS..SBendtrans-98134.6-173.200000112.9A77 G78 A101A77-A89 CarbonylContact C-O 3.57Å; A77-A89 WeakPolarHBondContact CA-O 3.44Å; G78-A89 PolarHBondContact N-O 2.93Å; A89-A101 CarbonylContact C-O 3.56Å; A89-A101 WeakPolarHBondContact CA-O 3.27Å
90G74.3Confident70.1Confident21 Ų2147.4 Ų47.422%0.21632%0.321CS..SBendtrans150.1-165.3169.600000115.6G78 A101 G102 I103G78-G90 WeakPolarHBondContact O-CA 3.38Å; G90-A101 PolarHBondContact N-O 2.9Å; G90-G102 WeakPolarHBondContact O-CA 3.18Å; G90-I103 PolarHBondContact O-N 3.2Å
91I71.3Confident69.8Low86 Ų8648 Ų4844%0.44133%0.333SS..  trans-96.4123-175.9-59.3163.1000108.6G78 V79 K80 I103G78-I91 PolarHBondContact O-N 3.34Å; V79-I91 CarbonylContact C-O 3.45Å; V79-I91 VanDerWaalsContact CA-O 3.27Å; V79-I91 WeakPolarHBondContact CA-O 3.24Å; V79-I91 HydrophobicContact CG1-CB 4.46Å; V79-I91 HydrophobicContact CG2-CB 4.39Å; K80-I91 PolarHBondContact N-O 3.02Å; I91-I103 CarbonylContact C-O 3.49Å; I91-I103 VanDerWaalsContact CA-O 3.28Å; I91-I103 WeakPolarHBondContact CA-O 3.23Å; I91-I103 HydrophobicContact CG1-CB 4.31Å
92K70.2Confident69.6Low35 Ų3546.6 Ų46.615%0.15232%0.324CS..EExtended strand (participates in β ladder)trans-118.9128.4176.4-54.7-173-174.91750110.3K80 G86 I103 K104 A105K80-K92 HydrophobicContact CB-CG 4.27Å; K80-K92 CarbonylContact O-C 3.56Å; K80-K92 VanDerWaalsContact O-CA 3.3Å; K80-K92 WeakPolarHBondContact O-CA 3.31Å; G86-K92 PolarHBondContact O-NZ 3.46Å; K92-I103 PolarHBondContact N-O 2.84Å; K92-K104 HydrophobicContact CB-CG 4.18Å; K92-K104 HydrophobicContact CD-CD 4.48Å; K92-K104 CarbonylContact O-C 3.53Å; K92-K104 VanDerWaalsContact O-CA 3.29Å; K92-K104 WeakPolarHBondContact O-CA 3.29Å; K92-A105 PolarHBondContact O-N 3.06Å
93A70.9Confident69.1Low48 Ų4848.9 Ų48.940%0.39733%0.327SS..EExtended strand (participates in β ladder)trans-114.1122168.600000109.3K80 A81 G82 A105K80-A93 PolarHBondContact O-N 2.91Å; A81-A93 CarbonylContact C-O 3.51Å; A81-A93 WeakPolarHBondContact CA-O 3.3Å; G82-A93 PolarHBondContact N-O 3.43Å; A93-A105 CarbonylContact C-O 3.44Å; A93-A105 WeakPolarHBondContact CA-O 3.18Å
94G72.2Confident68.9Low36 Ų3645.8 Ų45.837%0.37131%0.31SS..SBendtrans126.9-167.1179.900000114A105G94-A105 PolarHBondContact N-O 2.9Å
95L65.9Low68.7Low88 Ų8846.8 Ų46.846%0.46132%0.316SS..  trans-93.4131.2179.2-36.9171.3000110.6L83 G84 L107L83-L95 WeakPolarHBondContact CA-O 3.33Å; L83-L95 HydrophobicContact CD2-CB 3.45Å; L83-L95 VanDerWaalsContact CD2-CB 3.45Å; L83-L95 HydrophobicContact CD2-CD1 3.64Å; L83-L95 HydrophobicContact CD2-CG 3.49Å; L83-L95 VanDerWaalsContact CD2-CG 3.49Å; G84-L95 PolarHBondContact N-O 3.03Å; L95-L107 WeakPolarHBondContact CA-O 3.24Å; L95-L107 HydrophobicContact CD2-CB 3.6Å; L95-L107 HydrophobicContact CD2-CD1 3.91Å; L95-L107 HydrophobicContact CD2-CG 3.95Å
96G65.4Low68.6Low23 Ų2344.9 Ų44.924%0.23731%0.31CS..EExtended strand (participates in β ladder)trans-164.9153.5179.700000116.4G84 L107 G108 V109G84-G96 CarbonylContact O-C 3.53Å; G84-G96 WeakPolarHBondContact O-CA 3.03Å; G96-L107 PolarHBondContact N-O 2.9Å; G96-L107 VanDerWaalsContact N-O 3.16Å; G96-G108 CarbonylContact O-C 3.51Å; G96-G108 WeakPolarHBondContact O-CA 3.2Å; G96-V109 PolarHBondContact O-N 2.94Å
97L64.8Low68.2Low91 Ų9149 Ų4948%0.47633%0.329SS..EExtended strand (participates in β ladder)trans-101.1140.5174.4-54.3174.3000109.3G84 V85 G86 V109G84-L97 PolarHBondContact O-N 2.97Å; V85-L97 CarbonylContact C-O 3.49Å; V85-L97 WeakPolarHBondContact CA-O 3.31Å; V85-L97 HydrophobicContact CB-CB 4.49Å; V85-L97 HydrophobicContact CG1-CB 4.11Å; V85-L97 HydrophobicContact CG2-CB 4.07Å; V85-L97 HydrophobicContact CG2-CD1 4.26Å; V85-L97 HydrophobicContact CG2-CG 4.45Å; G86-L97 PolarHBondContact N-O 3.01Å; L97-V109 CarbonylContact C-O 3.51Å; L97-V109 VanDerWaalsContact CA-O 3.25Å; L97-V109 WeakPolarHBondContact CA-O 3.3Å; L97-V109 HydrophobicContact CD2-CB 3.57Å; L97-V109 HydrophobicContact CD2-CG2 3.99Å
98G66.9Low67.8Low13 Ų1346 Ų4613%0.13431%0.314CS..  trans134.9172.316200000116.1K104 V109 R114G98-K104 PolarHBondContact O-NZ 3.05Å; G98-V109 PolarHBondContact N-O 3.16Å; G98-R114 PolarHBondContact O-NH1 3.47Å
99D67.1Low67.3Low79 Ų7948.6 Ų48.642%0.42233%0.326SS..  trans-104.9150.4-158.1-57.4-25.5000111.9V87 G88 G110 G111V87-D99 CarbonylContact C-O 3.46Å; V87-D99 WeakPolarHBondContact CA-O 3.27Å; V87-D99 HydrophobicContact CG1-CB 4.45Å; V87-D99 HydrophobicContact CG2-CB 4.41Å; G88-D99 PolarHBondContact N-O 2.91Å; D99-G110 WeakPolarHBondContact OD1-CA 3.45Å; D99-G111 CarbonylContact C-O 3.5Å; D99-G111 WeakPolarHBondContact CA-O 3.34Å; D99-G111 PolarHBondContact OD1-N 2.83Å
100G68.5Low66.9Low22 Ų2246.8 Ų46.823%0.22731%0.312CS..  trans135.6177.9177.200000114G88 G111G88-G100 WeakPolarHBondContact O-CA 3.29Å; G100-G111 PolarHBondContact N-O 2.83Å
101A65.9Low66.1Low51 Ų5146.5 Ų46.542%0.42131%0.309SS..SBendtrans-94.3144.5-174.100000112.4A89 G90 A113A89-A101 CarbonylContact C-O 3.56Å; A89-A101 WeakPolarHBondContact CA-O 3.27Å; G90-A101 PolarHBondContact N-O 2.9Å; A101-A113 WeakPolarHBondContact CA-O 3.47Å
102G69.7Low65.6Low22 Ų2243.7 Ų43.723%0.22730%0.301CS..EExtended strand (participates in β ladder)trans138.6-168.6168.900000115.3G90 A113 R114 I115G90-G102 WeakPolarHBondContact O-CA 3.18Å; G102-A113 PolarHBondContact N-O 3.09Å; G102-A113 VanDerWaalsContact N-O 3.1Å; G102-R114 VanDerWaalsContact O-CA 3.24Å; G102-R114 WeakPolarHBondContact O-CA 3.2Å; G102-R114 WeakPolarHBondContact O-CB 3.1Å; G102-I115 PolarHBondContact O-N 3.01Å; G102-I115 VanDerWaalsContact O-N 3.17Å
103I65.8Low65.3Low83 Ų8345.2 Ų45.243%0.42632%0.32SS..EExtended strand (participates in β ladder)trans-96.1124-172.1-51.3178.5000108.6G90 I91 K92 I115G90-I103 PolarHBondContact O-N 3.2Å; I91-I103 CarbonylContact C-O 3.49Å; I91-I103 VanDerWaalsContact CA-O 3.28Å; I91-I103 WeakPolarHBondContact CA-O 3.23Å; I91-I103 HydrophobicContact CG1-CB 4.31Å; K92-I103 PolarHBondContact N-O 2.84Å; I103-I115 CarbonylContact C-O 3.51Å; I103-I115 VanDerWaalsContact CA-O 3.28Å; I103-I115 WeakPolarHBondContact CA-O 3.34Å; I103-I115 HydrophobicContact CG1-CB 4.27Å; I103-I115 HydrophobicContact CG1-CD1 4.44Å
104K66.4Low64.8Low19 Ų1943.6 Ų43.68%0.08330%0.304CS..EExtended strand (participates in β ladder)trans-118.4125.3174-56.1-168.8-177.1179.40110.6K92 G98 I115 K116 A117K92-K104 HydrophobicContact CB-CG 4.18Å; K92-K104 HydrophobicContact CD-CD 4.48Å; K92-K104 CarbonylContact O-C 3.53Å; K92-K104 VanDerWaalsContact O-CA 3.29Å; K92-K104 WeakPolarHBondContact O-CA 3.29Å; G98-K104 PolarHBondContact O-NZ 3.05Å; K104-I115 PolarHBondContact N-O 3.17Å; K104-K116 HydrophobicContact CB-CG 4.28Å; K104-K116 WeakPolarHBondContact O-CA 3.16Å; K104-A117 PolarHBondContact O-N 3.37Å
105A66.7Low64.3Low51 Ų5147.1 Ų47.142%0.42131%0.313SS..EExtended strand (participates in β ladder)trans-105.1113.5165.800000108.6K92 A93 G94K92-A105 PolarHBondContact O-N 3.06Å; A93-A105 CarbonylContact C-O 3.44Å; A93-A105 WeakPolarHBondContact CA-O 3.18Å; G94-A105 PolarHBondContact N-O 2.9Å
106G66.6Low63.9Low28 Ų2844.1 Ų44.129%0.28930%0.296SS..SBendtrans129.7-177-178.500000114.7A117G106-A117 PolarHBondContact N-O 2.94Å
107L60.7Low63.7Low92 Ų9246.5 Ų46.548%0.48231%0.314SS..  trans-87.4128.9-178.8-54.6166.5000110.5L95 G96 L119L95-L107 WeakPolarHBondContact CA-O 3.24Å; L95-L107 HydrophobicContact CD2-CB 3.6Å; L95-L107 HydrophobicContact CD2-CD1 3.91Å; L95-L107 HydrophobicContact CD2-CG 3.95Å; G96-L107 PolarHBondContact N-O 2.9Å; G96-L107 VanDerWaalsContact N-O 3.16Å; L107-L119 WeakPolarHBondContact CA-O 3.27Å; L107-L119 HydrophobicContact CD2-CB 3.54Å; L107-L119 VanDerWaalsContact CD2-O 3.28Å; L107-L119 WeakPolarHBondContact CD2-O 3.37Å
108G61.9Low63.2Low10 Ų1044 Ų4410%0.10331%0.31CS..EExtended strand (participates in β ladder)trans-167143.4179.100000115.5G96 K116 G120G96-G108 CarbonylContact O-C 3.51Å; G96-G108 WeakPolarHBondContact O-CA 3.2Å; G108-K116 PolarHBondContact O-NZ 3.07Å; G108-G120 VanDerWaalsContact O-CA 3.24Å; G108-G120 WeakPolarHBondContact O-CA 3.21Å
109V60.4Low62.5Low73 Ų7348.6 Ų48.644%0.44233%0.331SS..EExtended strand (participates in β ladder)trans-100.7136.7177.5-174.40000109.7G96 L97 G98 V121G96-V109 PolarHBondContact O-N 2.94Å; L97-V109 CarbonylContact C-O 3.51Å; L97-V109 VanDerWaalsContact CA-O 3.25Å; L97-V109 WeakPolarHBondContact CA-O 3.3Å; L97-V109 HydrophobicContact CD2-CB 3.57Å; L97-V109 HydrophobicContact CD2-CG2 3.99Å; G98-V109 PolarHBondContact N-O 3.16Å; V109-V121 WeakPolarHBondContact CA-O 3.37Å; V109-V121 HydrophobicContact CG1-CB 4.44Å; V109-V121 VanDerWaalsContact CG1-O 3.3Å; V109-V121 WeakPolarHBondContact CG1-O 3.31Å; V109-V121 HydrophobicContact CG2-CB 4.29Å
110G62.1Low61.7Low12 Ų1245 Ų4512%0.12431%0.313CS..  trans166.1-178.9173.900000112.8D99 R114 V121 G122D99-G110 WeakPolarHBondContact OD1-CA 3.45Å; G110-R114 PolarHBondContact O-NH1 3.11Å; G110-R114 PolarHBondContact O-NH2 2.8Å; G110-V121 PolarHBondContact N-O 3.03Å; G110-G122 WeakPolarHBondContact O-CA 3.49Å
111G57.6Low61Low15 Ų1548 Ų4816%0.15533%0.327CS..  trans-115153.8178.600000114.2D99 G100 R114 R123D99-G111 CarbonylContact C-O 3.5Å; D99-G111 WeakPolarHBondContact CA-O 3.34Å; D99-G111 PolarHBondContact OD1-N 2.83Å; G100-G111 PolarHBondContact N-O 2.83Å; G111-R114 VanDerWaalsContact N-NH1 3.13Å; G111-R114 VanDerWaalsContact O-CZ 3.25Å; G111-R114 PolarHBondContact O-NH1 2.92Å; G111-R114 PolarHBondContact O-NH2 3.37Å; G111-R123 WeakPolarHBondContact CA-O 3.46Å
112G61.7Low60.2Low27 Ų2746.5 Ų46.528%0.27832%0.316SS..SBendtrans119.6163.8-178.600000115.8R114 R123G112-R114 PolarHBondContact O-N 3.1Å; G112-R114 PolarHBondContact O-NE 3Å; G112-R114 VanDerWaalsContact O-NE 3.09Å; G112-R114 PolarHBondContact O-NH2 2.89Å; G112-R123 PolarHBondContact N-O 3.03Å
113A62.8Low59.3Low66 Ų6654.6 Ų54.655%0.54534%0.34SS..  trans-72.9112.3-176.800000111.4A101 G102A101-A113 WeakPolarHBondContact CA-O 3.47Å; G102-A113 PolarHBondContact N-O 3.09Å; G102-A113 VanDerWaalsContact N-O 3.1Å
114R61.2Low58.4Low15 Ų1552.6 Ų52.66%0.05734%0.339CS..EExtended strand (participates in β ladder)trans-139.5141.3-169.3-68.5172.3-75.8-134.9-2.6113G98 G102 G110 G111 G112 K116G98-R114 PolarHBondContact O-NH1 3.47Å; G102-R114 VanDerWaalsContact O-CA 3.24Å; G102-R114 WeakPolarHBondContact O-CA 3.2Å; G102-R114 WeakPolarHBondContact O-CB 3.1Å; G110-R114 PolarHBondContact O-NH1 3.11Å; G110-R114 PolarHBondContact O-NH2 2.8Å; G111-R114 VanDerWaalsContact N-NH1 3.13Å; G111-R114 VanDerWaalsContact O-CZ 3.25Å; G111-R114 PolarHBondContact O-NH1 2.92Å; G111-R114 PolarHBondContact O-NH2 3.37Å; G112-R114 PolarHBondContact O-N 3.1Å; G112-R114 PolarHBondContact O-NE 3Å; G112-R114 VanDerWaalsContact O-NE 3.09Å; G112-R114 PolarHBondContact O-NH2 2.89Å; R114-K116 HydrophobicContact CB-CG 3.91Å
115I61Low57.2Low110 Ų11055.8 Ų55.856%0.56437%0.369SS*.EExtended strand (participates in β ladder)trans-95.3110.2162.2-55.9173.6000105.4G102 I103 K104G102-I115 PolarHBondContact O-N 3.01Å; G102-I115 VanDerWaalsContact O-N 3.17Å; I103-I115 CarbonylContact C-O 3.51Å; I103-I115 VanDerWaalsContact CA-O 3.28Å; I103-I115 WeakPolarHBondContact CA-O 3.34Å; I103-I115 HydrophobicContact CG1-CB 4.27Å; I103-I115 HydrophobicContact CG1-CD1 4.44Å; K104-I115 PolarHBondContact N-O 3.17Å
116K59.3Low56.1Low24 Ų2457.4 Ų57.410%0.10436%0.364CS..EExtended strand (participates in β ladder)trans-113.8129-177.6-65.6-166.4-178.5-179.90110.9K104 G108 R114K104-K116 HydrophobicContact CB-CG 4.28Å; K104-K116 WeakPolarHBondContact O-CA 3.16Å; G108-K116 PolarHBondContact O-NZ 3.07Å; R114-K116 HydrophobicContact CB-CG 3.91Å
117A59.4Low54.7Low74 Ų7463.4 Ų63.461%0.61239%0.388SS*.EExtended strand (participates in β ladder)trans-102.593.315800000107.6K104 G106K104-A117 PolarHBondContact O-N 3.37Å; G106-A117 PolarHBondContact N-O 2.94Å
118G55.6Low53.7Low38 Ų3861 Ų6139%0.39239%0.386SS..SBendtrans151.2163.3179.500000114.7G120G118-G120 PolarHBondContact O-N 3.06Å
119L52Low52.5Low109 Ų10969.5 Ų69.557%0.57143%0.429SS*.  trans-73120.6174.6-78.269.9000109.6L107 I132L107-L119 WeakPolarHBondContact CA-O 3.27Å; L107-L119 HydrophobicContact CD2-CB 3.54Å; L107-L119 VanDerWaalsContact CD2-O 3.28Å; L107-L119 WeakPolarHBondContact CD2-O 3.37Å; L119-I132 HydrophobicContact CB-CD1 3.96Å; L119-I132 HydrophobicContact CD2-CD1 3.56Å; L119-I132 HydrophobicContact CG-CD1 3.59Å
120G49.4Very low51.3Low4 Ų468.8 Ų68.84%0.04144%0.437CS..  trans-140146.3174.700000111.9G108 G118 R126G108-G120 VanDerWaalsContact O-CA 3.24Å; G108-G120 WeakPolarHBondContact O-CA 3.21Å; G118-G120 PolarHBondContact O-N 3.06Å; G120-R126 PolarHBondContact O-NH1 2.8Å
121V54.6Low49.9Very low86 Ų8673.2 Ų73.252%0.52147%0.465SS..  trans-102.1123.7171.8-172.70000107.2V109 G110V109-V121 WeakPolarHBondContact CA-O 3.37Å; V109-V121 HydrophobicContact CG1-CB 4.44Å; V109-V121 VanDerWaalsContact CG1-O 3.3Å; V109-V121 WeakPolarHBondContact CG1-O 3.31Å; V109-V121 HydrophobicContact CG2-CB 4.29Å; G110-V121 PolarHBondContact N-O 3.03Å
122G49.8Very low48.9Very low19 Ų1975.4 Ų75.420%0.19647%0.473CS..  trans-164.6149.6-175.200000115G110G110-G122 WeakPolarHBondContact O-CA 3.49Å
123R50.9Low47.9Very low192 Ų19278.7 Ų78.773%0.72548%0.483SS*.SBendtrans-92.4108.1171.2-117.3174.6-179.2172-3.8108.5G111 G112G111-R123 WeakPolarHBondContact CA-O 3.46Å; G112-R123 PolarHBondContact N-O 3.03Å
124G47.1Very low46.6Very low41 Ų4178 Ų7842%0.42348%0.482SS..SBendtrans154.6155.717700000113.3R126G124-R126 PolarHBondContact O-N 2.82Å
125A39.9Very low46Very low85 Ų8585.9 Ų85.970%0.70251%0.512SS*.  trans-55.9124.1-178.800000111
126R43.4Very low45Very low85 Ų8582.6 Ų82.632%0.32151%0.505SS..EExtended strand (participates in β ladder)trans-119.9128.1-177.3-85.5-162.6-81.4-150.5-9.5109.7G120 G124 I132G120-R126 PolarHBondContact O-NH1 2.8Å; G124-R126 PolarHBondContact O-N 2.82Å; R126-I132 VanDerWaalsContact CZ-O 3.25Å; R126-I132 PolarHBondContact NH1-O 2.75Å; R126-I132 PolarHBondContact NH2-O 2.82Å
127I38.3Very low44.1Very low154 Ų15481.9 Ų81.979%0.7950%0.504SS*.EExtended strand (participates in β ladder)trans-121.1105.6159.3-53.5175.9000104.8
128G38.3Very low43.2Very low43 Ų4387.6 Ų87.644%0.44351%0.512SS..  trans-167.5120.317900000109.6G130G128-G130 PolarHBondContact O-N 3.23Å
129N36.7Very low42.8Very low187 Ų18795.4 Ų95.4100%153%0.529SS*.SBendtrans-67.794.5174.8-78.1-19.1000108.8
130G36.1Very low42.5Very low59 Ų5995.5 Ų95.561%0.60853%0.53SS*.SBendtrans155.498.7-178.700000111.4G128G128-G130 PolarHBondContact O-N 3.23Å
131S33.1Very low42.4Very low104 Ų104100.8 Ų100.873%0.72756%0.557SS**  trans-31.6138.7178.8-65.40000117
132I37.3Very low41.8Very low62 Ų62104 Ų10432%0.31856%0.56SS.*  177.8102.1119.3-80.4151.5000108.5L119 R126 G134L119-I132 HydrophobicContact CB-CD1 3.96Å; L119-I132 HydrophobicContact CD2-CD1 3.56Å; L119-I132 HydrophobicContact CG-CD1 3.59Å; R126-I132 VanDerWaalsContact CZ-O 3.25Å; R126-I132 PolarHBondContact NH1-O 2.75Å; R126-I132 PolarHBondContact NH2-O 2.82Å; I132-G134 PolarHBondContact O-N 3.15Å
133I39.3Very low41.7Very low95 Ų95108 Ų10849%0.48758%0.576SS.*  trans36.378.7132.4-49.8-175000115.9G137I133-G137 VanDerWaalsContact CG1-CA 3.5Å
134G35.8Very low41.8Very low51 Ų51103.4 Ų103.453%0.52657%0.566SS.*SBendtrans-90.5108155.800000108.5I132 G136I132-G134 PolarHBondContact O-N 3.15Å; G134-G136 PolarHBondContact O-N 2.85Å
135R47.9Very low42Very low182 Ų182105.1 Ų105.169%0.68757%0.565SS**SBendtrans46.5-9.5177.3-152.7170.8-68.5-114.2-7.2119
136G41Very low42.4Very low40 Ų40106.6 Ų106.641%0.41256%0.56SS.*  trans-108.6-3.1178.700000114.5G134 Y138 R139G134-G136 PolarHBondContact O-N 2.85Å; G136-Y138 VanDerWaalsContact C-N 3.25Å; G136-Y138 PolarHBondContact O-N 2.82Å; G136-R139 PolarHBondContact O-N 2.98Å
137G39.6Very low42.6Very low9 Ų9106.5 Ų106.59%0.09358%0.577CS.*THydrogen-bonded Turntrans-78-5.9179.700000115.6I133 R139 N140 L141I133-G137 VanDerWaalsContact CG1-CA 3.5Å; G137-R139 PolarHBondContact O-N 3.12Å; G137-N140 PolarHBondContact O-N 3.15Å; G137-L141 PolarHBondContact O-N 3.08Å
138Y40.5Very low43.2Very low194 Ų194106.9 Ų106.976%0.76157%0.573SS**Hα-helixtrans-64.6-21.2165.7-78.1-78.7000112.5G136 N140G136-Y138 VanDerWaalsContact C-N 3.25Å; G136-Y138 PolarHBondContact O-N 2.82Å; Y138-N140 VanDerWaalsContact C-N 3.32Å
139R47.3Very low43.4Very low202 Ų202107.8 Ų107.876%0.76258%0.583SS**Hα-helixtrans-69.8-28.8170-89.4-170.2-75.9153.2-5.9113.1G136 G137 N143G136-R139 PolarHBondContact O-N 2.98Å; G137-R139 PolarHBondContact O-N 3.12Å; R139-N143 PolarHBondContact O-N 3.1Å
140N47.1Very low43.7Very low111 Ų111104.7 Ų104.759%0.59457%0.565SS**Hα-helixtrans-81.3-27.5-179.8-127.4-59000112.5G137 Y138 R142 N143 L144G137-N140 PolarHBondContact O-N 3.15Å; Y138-N140 VanDerWaalsContact C-N 3.32Å; N140-R142 VanDerWaalsContact C-N 3.32Å; N140-R142 PolarHBondContact O-N 3.04Å; N140-N143 PolarHBondContact O-N 2.94Å; N140-L144 WeakPolarHBondContact O-CB 3.25Å; N140-L144 PolarHBondContact O-N 3.45Å
141L45.7Very low43.8Very low115 Ų115104.7 Ų104.760%0.60257%0.565SS**Hα-helixtrans-66.5-36.9170.8-124.882.5000111.6G137 L144 L145G137-L141 PolarHBondContact O-N 3.08Å; L141-L144 PolarHBondContact O-N 2.82Å; L141-L145 VanDerWaalsContact O-CB 3.24Å; L141-L145 WeakPolarHBondContact O-CB 3.36Å; L141-L145 PolarHBondContact O-N 3.43Å
142R43.9Very low44.1Very low155 Ų155112 Ų11259%0.58558%0.577SS**Hα-helixtrans-64.7-44.7174.7-156.5-174.8-152.8-175.77.9111.3N140 L145 I146N140-R142 VanDerWaalsContact C-N 3.32Å; N140-R142 PolarHBondContact O-N 3.04Å; R142-L145 PolarHBondContact O-N 3.11Å; R142-I146 HydrophobicContact CG-CD1 4.13Å; R142-I146 WeakPolarHBondContact O-CB 3.35Å; R142-I146 WeakPolarHBondContact O-CD1 3.33Å; R142-I146 WeakPolarHBondContact O-CG1 3.41Å; R142-I146 PolarHBondContact O-N 2.84Å
143N47.4Very low44.1Very low101 Ų101116 Ų11654%0.5460%0.598SS.*Hα-helixtrans-72.4-28.8177.8-76.73.7000113R139 N140 A147R139-N143 PolarHBondContact O-N 3.1Å; N140-N143 PolarHBondContact O-N 2.94Å; N143-A147 WeakPolarHBondContact O-CB 3.35Å; N143-A147 PolarHBondContact O-N 3.23Å
144L52Low44.1Very low97 Ų97116 Ų11651%0.50861%0.612SS.*Hα-helixtrans-73.8-33.4173.4-170.962000111.6N140 L141 A147 K148N140-L144 WeakPolarHBondContact O-CB 3.25Å; N140-L144 PolarHBondContact O-N 3.45Å; L141-L144 PolarHBondContact O-N 2.82Å; L144-A147 PolarHBondContact O-N 2.86Å; L144-K148 WeakPolarHBondContact O-CB 3.2Å; L144-K148 PolarHBondContact O-N 2.89Å
145L51.9Low44.2Very low77 Ų77125 Ų12540%0.40363%0.63SS.*Hα-helixtrans-74.3-35.7174.2-15871000111.7L141 R142 K148 G149 L150L141-L145 VanDerWaalsContact O-CB 3.24Å; L141-L145 WeakPolarHBondContact O-CB 3.36Å; L141-L145 PolarHBondContact O-N 3.43Å; R142-L145 PolarHBondContact O-N 3.11Å; L145-K148 CarbonylContact O-C 3.56Å; L145-K148 PolarHBondContact O-N 3.41Å; L145-G149 PolarHBondContact O-N 3.26Å; L145-G149 VanDerWaalsContact O-N 3.15Å; L145-L150 HydrophobicContact CD1-CB 4.01Å; L145-L150 HydrophobicContact CD1-CD1 4.4Å; L145-L150 HydrophobicContact CG-CB 4.23Å; L145-L150 PolarHBondContact O-N 3.11Å
146I47.3Very low43.5Very low116 Ų116119.1 Ų119.160%0.59563%0.627SS**Hα-helixtrans-67.1-41.5169.6-67.3165.7000110.4R142 K148 G149R142-I146 HydrophobicContact CG-CD1 4.13Å; R142-I146 WeakPolarHBondContact O-CB 3.35Å; R142-I146 WeakPolarHBondContact O-CD1 3.33Å; R142-I146 WeakPolarHBondContact O-CG1 3.41Å; R142-I146 PolarHBondContact O-N 2.84Å; I146-K148 VanDerWaalsContact C-N 3.29Å; I146-K148 PolarHBondContact O-N 3.23Å; I146-G149 PolarHBondContact O-N 3.27Å; I146-G149 VanDerWaalsContact O-N 3.07Å
147A49.1Very low43Very low83 Ų83124 Ų12469%0.68665%0.649SS**Hα-helixtrans-67.2-29.3176.700000112.7N143 L144 G149N143-A147 WeakPolarHBondContact O-CB 3.35Å; N143-A147 PolarHBondContact O-N 3.23Å; L144-A147 PolarHBondContact O-N 2.86Å; A147-G149 VanDerWaalsContact C-N 3.33Å
148K49Very low42.8Very low162 Ų162130.2 Ų130.270%0.70469%0.685SS**THydrogen-bonded Turntrans-898.1171.7-72.5-155.9170.7-1690114.1L144 L145 I146 L150L144-K148 WeakPolarHBondContact O-CB 3.2Å; L144-K148 PolarHBondContact O-N 2.89Å; L145-K148 CarbonylContact O-C 3.56Å; L145-K148 PolarHBondContact O-N 3.41Å; I146-K148 VanDerWaalsContact C-N 3.29Å; I146-K148 PolarHBondContact O-N 3.23Å; K148-L150 PolarHBondContact O-N 2.64Å; K148-L150 VanDerWaalsContact O-N 3.14Å
149G43.2Very low42.3Very low62 Ų62126.5 Ų126.564%0.63969%0.687SS**THydrogen-bonded Turntrans67.212.7170.500000115.7L145 I146 A147 G151L145-G149 PolarHBondContact O-N 3.26Å; L145-G149 VanDerWaalsContact O-N 3.15Å; I146-G149 PolarHBondContact O-N 3.27Å; I146-G149 VanDerWaalsContact O-N 3.07Å; A147-G149 VanDerWaalsContact C-N 3.33Å; G149-G151 PolarHBondContact O-N 3.03Å; G149-G151 VanDerWaalsContact O-N 3.17Å
150L42.9Very low41.5Very low121 Ų121120.7 Ų120.763%0.63468%0.683SS**  trans-90.384.7-179.4-68174.8000110.5L145 K148L145-L150 HydrophobicContact CD1-CB 4.01Å; L145-L150 HydrophobicContact CD1-CD1 4.4Å; L145-L150 HydrophobicContact CG-CB 4.23Å; L145-L150 PolarHBondContact O-N 3.11Å; K148-L150 PolarHBondContact O-N 2.64Å; K148-L150 VanDerWaalsContact O-N 3.14Å
151G38.7Very low40.6Very low59 Ų59125.4 Ų125.461%0.60870%0.698SS**  trans48.4109.1138.400000119.9G149 L153G149-G151 PolarHBondContact O-N 3.03Å; G149-G151 VanDerWaalsContact O-N 3.17Å; G151-L153 PolarHBondContact O-N 2.93Å
152R38.3Very low40.1Very low259 Ų259126 Ų12698%0.97770%0.701SS**  trans7.594149.4-72.9176170.6177.6-2.9116.7
153L38.2Very low39.3Very low144 Ų144122.4 Ų122.475%0.75471%0.712SS**  trans-98.1119.2157.4-95.6155.1000110.1G151G151-L153 PolarHBondContact O-N 2.93Å
154A39.7Very low38.4Very low95 Ų95121.5 Ų121.579%0.78573%0.726SS**  trans-53.9144.3-174.900000112.6G156A154-G156 PolarHBondContact O-N 2.89Å
155R37.3Very low37.3Very low240 Ų240120.1 Ų120.191%0.90674%0.735SS**  trans-65.192.7178.1-76.5175.1-85.4-168.2-4.9110
156G32.5Very low36.2Very low60 Ų60123.5 Ų123.562%0.61976%0.76SS**  trans-102117.9162.900000109.7A154 T158A154-G156 PolarHBondContact O-N 2.89Å; G156-T158 PolarHBondContact O-N 3.11Å; G156-T158 VanDerWaalsContact O-N 3.14Å
157T31.3Very low35.5Very low142 Ų142126.2 Ų126.287%0.87177%0.773SS**  trans-67.1100.5178.649.50000110.7S159T157-S159 PolarHBondContact O-N 3.13Å
158T34.6Very low34.5Very low139 Ų139126 Ų12685%0.85378%0.779SS**  trans-90.789.3169.149.80000109.1G156 A160G156-T158 PolarHBondContact O-N 3.11Å; G156-T158 VanDerWaalsContact O-N 3.14Å; T158-A160 PolarHBondContact O-N 3.18Å
159S29.8Very low33.5Very low116 Ų116121.3 Ų121.381%0.81178%0.777SS**  trans-68.4108.7173-169.70000109.2T157T157-S159 PolarHBondContact O-N 3.13Å
160A32.1Very low32.8Very low81 Ų81127.6 Ų127.667%0.66979%0.789SS**  trans-106104168.300000108.1T158 I162T158-A160 PolarHBondContact O-N 3.18Å; A160-I162 PolarHBondContact O-N 3.26Å
161K27.1Very low32.5Very low210 Ų210130 Ų13091%0.91380%0.802SS**  trans-56107.4169.4-84.5179176.8177.10109
162I34.9Very low32.4Very low128 Ų128132.4 Ų132.466%0.65681%0.809SS**  trans-99.7108163.9-58.8176.8000105A160 G164A160-I162 PolarHBondContact O-N 3.26Å; I162-G164 PolarHBondContact O-N 3.18Å
163G28.4Very low32.1Very low79 Ų79124 Ų12481%0.81480%0.803SS**SBendtrans-59.8133.1176.400000110.8
164G27.7Very low31.8Very low81 Ų81120.9 Ų120.984%0.83581%0.805SS**SBendtrans109.373174.500000113.9I162I162-G164 PolarHBondContact O-N 3.18Å
165G29.2Very low31.3Very low69 Ų69119.9 Ų119.971%0.71180%0.804SS**  trans104.896.6163.500000115.2I167G165-I167 PolarHBondContact O-N 3.18Å
166T29.8Very low31.2Very low148 Ų148114 Ų11491%0.90881%0.807SS**  trans-69.9102.9165.232.70000110G168T166-G168 PolarHBondContact O-N 2.96Å
167I31.7Very low31.2Very low173 Ų173114.3 Ų114.389%0.88781%0.81SS**  trans-90.491.4158.2-34175.9000105.3G165 G169G165-I167 PolarHBondContact O-N 3.18Å; I167-G169 PolarHBondContact O-N 3.33Å
168G27.8Very low31.2Very low77 Ų77117.6 Ų117.679%0.79482%0.816SS**  trans-67113172.700000108.6T166T166-G168 PolarHBondContact O-N 2.96Å
169G27.9Very low31.2Very low65 Ų65116 Ų11667%0.6781%0.81SS**  trans-129.4105.8170.500000108.2I167 I171I167-G169 PolarHBondContact O-N 3.33Å; G169-I171 PolarHBondContact O-N 2.82Å
170E29.4Very low31.4Very low193 Ų193116.1 Ų116.190%0.90281%0.811SS**  trans-69117172.4-65.3-177.1164.600108.8S172E170-S172 PolarHBondContact O-N 3.14Å
171I35.8Very low31.6Very low173 Ų173123.4 Ų123.489%0.88782%0.821SS**  trans-87.184.2168.61.6174000106.7G169 G173G169-I171 PolarHBondContact O-N 2.82Å; I171-G173 PolarHBondContact O-N 3.1Å
172S37.3Very low31.6Very low109 Ų109119.3 Ų119.376%0.76281%0.814SS**  trans-64.9117.4169.861.20000108.9E170 G174E170-S172 PolarHBondContact O-N 3.14Å; S172-G174 PolarHBondContact O-N 3.49Å; S172-G174 VanDerWaalsContact O-N 3.1Å
173G32.2Very low31.6Very low83 Ų83118.3 Ų118.386%0.85681%0.813SS**  trans-66105-179.700000111.8I171I171-G173 PolarHBondContact O-N 3.1Å
174G31Very low31.7Very low77 Ų77124.1 Ų124.179%0.79482%0.816SS**  trans-84.6111.3166.600000109.8S172S172-G174 PolarHBondContact O-N 3.49Å; S172-G174 VanDerWaalsContact O-N 3.1Å
175G30.5Very low32Very low74 Ų74130.2 Ų130.276%0.76381%0.814SS**  trans-62.3162.7170.400000112.7
176A34.6Very low32.2Very low117 Ų117135.4 Ų135.497%0.96782%0.82SS**SBendtrans-52.2130.4-175.900000113.5
177G32.1Very low32.3Very low67 Ų67133.7 Ų133.769%0.69181%0.809SS**  trans173.4114.5170.800000109.6S179G177-S179 PolarHBondContact O-N 2.91Å; G177-S179 VanDerWaalsContact O-N 3.14Å
178E31.7Very low32.5Very low211 Ų211132.1 Ų132.199%0.98680%0.801SS**  trans-52.4115.1172.1-73.3170.1132.600109.6
179S33.8Very low32.8Very low106 Ų106138.7 Ų138.774%0.74180%0.802SS**  trans-143.2113.8165.2-160.80000109.7G177 R181G177-S179 PolarHBondContact O-N 2.91Å; G177-S179 VanDerWaalsContact O-N 3.14Å; S179-R181 PolarHBondContact O-N 3.49Å; S179-R181 VanDerWaalsContact O-N 3.09Å
180S34.8Very low33.1Very low117 Ų117142 Ų14282%0.81880%0.804SS**  trans-44.6104.1179.2-158.70000111.3T182S180-T182 PolarHBondContact O-N 2.88Å
181R36.1Very low33.5Very low235 Ų235138.6 Ų138.689%0.88780%0.799SS**  trans-80.1100.9176-76.3-177-176154.62109.4S179 V183S179-R181 PolarHBondContact O-N 3.49Å; S179-R181 VanDerWaalsContact O-N 3.09Å; R181-V183 PolarHBondContact O-N 3.32Å
182T27.1Very low33.7Very low124 Ų124136.9 Ų136.976%0.76180%0.796SS**  trans-57.7112.1165.247.70000109.9S180 K184S180-T182 PolarHBondContact O-N 2.88Å; T182-K184 PolarHBondContact O-N 3.48Å
183V34.6Very low33.6Very low107 Ų107139.6 Ų139.665%0.64880%0.796SS**  trans-78.599.8178.5-175.70000108.6R181 R185R181-V183 PolarHBondContact O-N 3.32Å; V183-R185 HydrophobicContact CG1-CG 3.86Å; V183-R185 PolarHBondContact O-N 2.84Å
184K30.8Very low33.7Very low200 Ų200144.8 Ų144.887%0.8780%0.798SS**  trans-7097.4163.8-70.1-174177.9-176.40107.5T182 E186T182-K184 PolarHBondContact O-N 3.48Å; K184-E186 PolarHBondContact O-N 3.46Å
185R34.5Very low33.9Very low209 Ų209147.6 Ų147.679%0.78980%0.795SS**  trans-77.499.6172.1-73-174.5170.995.3-4.1107.8V183 V187V183-R185 HydrophobicContact CG1-CG 3.86Å; V183-R185 PolarHBondContact O-N 2.84Å; R185-V187 PolarHBondContact O-N 3.45Å
186E33.2Very low34.1Very low179 Ų179148.8 Ų148.884%0.83679%0.792SS**  trans-78.7103.8169.1-162.8150-157.300107.4K184 I188K184-E186 PolarHBondContact O-N 3.46Å; E186-I188 PolarHBondContact O-N 2.82Å; E186-I188 VanDerWaalsContact O-N 3.08Å
187V31.7Very low34.1Very low111 Ų111151.7 Ų151.767%0.67379%0.785SS**  trans-77.592.4178.5179.20000107.2R185 R189R185-V187 PolarHBondContact O-N 3.45Å; V187-R189 HydrophobicContact CG1-CG 4.41Å; V187-R189 PolarHBondContact O-N 2.74Å
188I35.5Very low34.1Very low140 Ų140157 Ų15772%0.71879%0.792SS**  trans-69.6108.1167.6-59.5171.7000105.9E186E186-I188 PolarHBondContact O-N 2.82Å; E186-I188 VanDerWaalsContact O-N 3.08Å
189R33.5Very low33.9Very low216 Ų216152.9 Ų152.982%0.81578%0.782SS**PPolyproline II helixtrans-80.7116.9170.5-85.7-172.9-93.6-102.81.2108V187V187-R189 HydrophobicContact CG1-CG 4.41Å; V187-R189 PolarHBondContact O-N 2.74Å
190D35.2Very low34Very low135 Ų135154 Ų15472%0.72278%0.784SS**PPolyproline II helixtrans-61.2139.4170.3-66.1-41.5000109.7V192D190-V192 PolarHBondContact O-N 3.03Å
191P37.3Very low33.8Very low121 Ų121155.9 Ų155.979%0.78678%0.78SS**PPolyproline II helixtrans-68.2119.5-178.727.3-32.3000109.8Q193P191-Q193 PolarHBondContact O-N 2.8Å
192V40.3Very low33.9Very low137 Ų137152.2 Ų152.283%0.8378%0.777SS**  trans-63.8114.2170.3178.50000107.3D190 E194D190-V192 PolarHBondContact O-N 3.03Å; V192-E194 PolarHBondContact O-N 2.87Å
193Q34.7Very low34.3Very low165 Ų165154.9 Ų154.977%0.77178%0.778SS**  trans-66.5119167.3-69.4-171.6-90.300107.5P191 D195P191-Q193 PolarHBondContact O-N 2.8Å; Q193-D195 PolarHBondContact O-N 2.77Å
194E33.9Very low34.4Very low192 Ų192158.5 Ų158.590%0.89779%0.785SS**  trans-72.578.7175.4-120.9170.3-169.100108.3V192 S196V192-E194 PolarHBondContact O-N 2.87Å; E194-S196 PolarHBondContact O-N 3.45Å
195D36.2Very low34.5Very low136 Ų136155.2 Ų155.273%0.72778%0.782SS**  trans-84.5104.2166.1-57.8-3.5000105.4Q193Q193-D195 PolarHBondContact O-N 2.77Å
196S33.9Very low34.8Very low99 Ų99155.2 Ų155.269%0.69278%0.782SS**  trans-49.8143.9176.450.20000112.7E194E194-S196 PolarHBondContact O-N 3.45Å
197E34.6Very low35Very low179 Ų179154.2 Ų154.284%0.83678%0.777SS**  trans118.3115.6154-60.6175.8-174.700116.6
198E32.1Very low35.3Very low177 Ų177156.1 Ų156.183%0.82778%0.782SS**  trans78.186.2148.8-101.1178.5168.400121.7
199T28Very low35.2Very low125 Ų125159.5 Ų159.577%0.76779%0.785SS**  12.8108.4126.654.60000118.8
200V36.3Very low35.3Very low131 Ų131157.9 Ų157.979%0.79479%0.787SS**  trans-142.9116.7131.7-178.70000109.1L202V200-L202 PolarHBondContact O-N 2.92Å
201Q31Very low35.3Very low156 Ų156157.3 Ų157.373%0.72979%0.788SS**  trans-67.5109.7175.6-66.6-125.438.500111.3
202L37.2Very low35.3Very low157 Ų157157 Ų15782%0.82279%0.786SS**  trans-128.673.9158.3-77.2168.7000109V200 K204V200-L202 PolarHBondContact O-N 2.92Å; L202-K204 PolarHBondContact O-N 3.02Å
203K35.5Very low35.4Very low181 Ų181156.9 Ų156.979%0.78779%0.786SS**  trans-65.183.3161.7-84.4179.4174.7177.10108.8T205K203-T205 PolarHBondContact O-N 3.29Å
204K36.5Very low35.7Very low183 Ų183157.5 Ų157.580%0.79679%0.789SS**  trans-9082.8170-149.8167-172.3173.10108.5L202 R206L202-K204 PolarHBondContact O-N 3.02Å; K204-R206 PolarHBondContact O-N 3.11Å
205T34Very low35.7Very low130 Ų130156.1 Ų156.180%0.79879%0.787SS**  trans-60.6101.3172.3-51.10000108.8K203 E207K203-T205 PolarHBondContact O-N 3.29Å; T205-E207 PolarHBondContact O-N 2.99Å
206R39.6Very low35.9Very low209 Ų209158.6 Ų158.679%0.78979%0.794SS**  trans-84.5105172.2-77.5-173175.1-159.5-2.8108.5K204K204-R206 PolarHBondContact O-N 3.11Å
207E37.2Very low35.8Very low159 Ų159159.4 Ų159.474%0.74380%0.8SS**  trans-72.3118.4175-164.7177.6-145.600109.4T205 R209T205-E207 PolarHBondContact O-N 2.99Å; E207-R209 PolarHBondContact O-N 3.02Å
208I38Very low35.8Very low151 Ų151155.3 Ų155.377%0.77479%0.791SS**  trans-82.1108.3178.6-63.7160.2000107.1
209R34.4Very low35.7Very low210 Ų210152.7 Ų152.779%0.79279%0.788SS**  trans-88.7109.8167.8-70.5-173.4178-170.2-1.1108.7E207E207-R209 PolarHBondContact O-N 3.02Å
210E35.1Very low35.9Very low182 Ų182156 Ų15685%0.8579%0.791SS**PPolyproline II helixtrans-69.5124.2171.7-64.8-177.1165.300109.2
211V35Very low35.6Very low123 Ų123155.4 Ų155.475%0.74579%0.788SS**PPolyproline II helixtrans-102.8121.8172.4-1650000107V213V211-V213 PolarHBondContact O-N 3.39Å
212P38.6Very low35.4Very low115 Ų115159.5 Ų159.575%0.74780%0.797SS**PPolyproline II helixtrans-68.9131.3-178.926.7-31.9000110.4
213V42.5Very low35.2Very low135 Ų135160.3 Ų160.382%0.81879%0.794SS**  trans-91.6113174.9178.70000107.3V211V211-V213 PolarHBondContact O-N 3.39Å
214E40.2Very low35.1Very low178 Ų178157.6 Ų157.683%0.83279%0.793SS**  trans-74.8138.1172-65-147.4161.100111.3E216E214-E216 PolarHBondContact O-N 3.43Å; E214-E216 VanDerWaalsContact O-N 3.15Å
215D34.4Very low35.2Very low162 Ų162154.8 Ų154.887%0.86679%0.785SS**  trans-71.496.1-177.8-72.3-47.1000111.5
216E40Very low35.1Very low188 Ų188155.3 Ų155.388%0.87978%0.783SS**  trans-108.389.2160.9-74.1-156.816400111.8E214 S218E214-E216 PolarHBondContact O-N 3.43Å; E214-E216 VanDerWaalsContact O-N 3.15Å; E216-S218 PolarHBondContact O-N 3.37Å
217S31.9Very low35.1Very low116 Ų116153.6 Ų153.681%0.81178%0.781SS**  trans-46.1110.6148.3131.70000110.5
218S34.7Very low35Very low93 Ų93156.4 Ų156.465%0.6579%0.785SS**  174.8113.7129.555.10000112.7E216E216-S218 PolarHBondContact O-N 3.37Å
219T29.2Very low34.8Very low122 Ų122154.9 Ų154.975%0.74878%0.783SS**  trans31107.3135.361.40000119.3
220K31.7Very low35.1Very low194 Ų194151.1 Ų151.184%0.84378%0.777SS**  155.9134.9113.2-91169.5179.9172.90113.6
221T30.4Very low35.4Very low119 Ų119148.8 Ų148.873%0.7377%0.769SS**  trans73.484.1153.7-30.80000118K223T221-K223 PolarHBondContact O-N 3.22Å
222R27.5Very low35.7Very low242 Ų242149.4 Ų149.491%0.91377%0.769SS**  trans-35.288.9152.8-156.5179.9-158.8167.64.5112.9
223K33.4Very low35.8Very low174 Ų174149.9 Ų149.976%0.75777%0.765SS**  trans-118.493.4156.9-87.9-175.3178.4176.60107.6T221 I225T221-K223 PolarHBondContact O-N 3.22Å; K223-I225 PolarHBondContact O-N 3.47Å
224T32.3Very low35.8Very low124 Ų124152.9 Ų152.976%0.76177%0.77SS**  trans-68.483.8174.2-450000108.7N226T224-N226 PolarHBondContact O-N 2.92Å
225I38.1Very low35.7Very low124 Ų124148.7 Ų148.764%0.63676%0.76SS**  trans-82.3101.3167.8-66.2176000106.2K223 K227K223-I225 PolarHBondContact O-N 3.47Å; I225-K227 HydrophobicContact CG2-CB 4.48Å; I225-K227 HydrophobicContact CG2-CD 4.05Å; I225-K227 HydrophobicContact CG2-CG 3.79Å; I225-K227 PolarHBondContact O-N 3.21Å
226N33Very low36Very low142 Ų142152.2 Ų152.276%0.75978%0.779SS**  trans-74.969.4179.3-149.75.6000109.2T224 R228T224-N226 PolarHBondContact O-N 2.92Å; N226-R228 PolarHBondContact O-N 2.98Å
227K40.2Very low35.8Very low173 Ų173150.4 Ų150.475%0.75277%0.774SS**  trans-8698.8171.7-87177-178.6-172.20108.1I225 T229I225-K227 HydrophobicContact CG2-CB 4.48Å; I225-K227 HydrophobicContact CG2-CD 4.05Å; I225-K227 HydrophobicContact CG2-CG 3.79Å; I225-K227 PolarHBondContact O-N 3.21Å; K227-T229 VanDerWaalsContact C-N 3.35Å; K227-T229 PolarHBondContact O-N 3.01Å; K227-T229 VanDerWaalsContact O-N 3.12Å
228R34.9Very low36Very low217 Ų217152.2 Ų152.282%0.81977%0.772SS**  trans-66.9100.8155.3-76.4-175.3-158.51264.6106.7N226 I230N226-R228 PolarHBondContact O-N 2.98Å; R228-I230 PolarHBondContact O-N 2.74Å
229T34.4Very low36.1Very low120 Ų120155.5 Ų155.574%0.73678%0.779SS**  trans-70.1103.9157.322.50000106.8K227 I231K227-T229 VanDerWaalsContact C-N 3.35Å; K227-T229 PolarHBondContact O-N 3.01Å; K227-T229 VanDerWaalsContact O-N 3.12Å; T229-I231 PolarHBondContact O-N 3.42Å
230I38.7Very low36.5Very low131 Ų131157.5 Ų157.567%0.67278%0.78SS**  trans-74.9111.5161.9-60.7173.2000103.9R228 D232R228-I230 PolarHBondContact O-N 2.74Å; I230-D232 WeakPolarHBondContact CG2-OD1 3.28Å
231I41.8Very low36.8Very low133 Ų133155.2 Ų155.268%0.68278%0.776SS**  trans-88.2101.5169.2-59.7172.1000103.6T229 D233T229-I231 PolarHBondContact O-N 3.42Å; I231-D233 PolarHBondContact O-N 3.43Å
232D41.7Very low37.2Very low136 Ų136157.6 Ų157.673%0.72778%0.78SS**  trans-76.1103.7165.8-66.5-44.8000106.2I230 E234I230-D232 WeakPolarHBondContact CG2-OD1 3.28Å; D232-E234 VanDerWaalsContact C-N 3.28Å; D232-E234 PolarHBondContact O-N 3.34Å
233D41.2Very low37.9Very low124 Ų124151.6 Ų151.666%0.66377%0.77SS**  trans-69.189.1166.1-76.6-31.9000107.1I231 S235I231-D233 PolarHBondContact O-N 3.43Å; D233-S235 PolarHBondContact O-N 3.31Å
234E41.7Very low38.3Very low199 Ų199149.8 Ų149.893%0.9377%0.771SS**  trans-71.386158.5-99.2-179.2167.700107.5D232D232-E234 VanDerWaalsContact C-N 3.28Å; D232-E234 PolarHBondContact O-N 3.34Å
235S38.5Very low38.8Very low90 Ų90152 Ų15263%0.62977%0.772SS**  trans-10298.3163.4570000108.8D233D233-S235 PolarHBondContact O-N 3.31Å
236D41.4Very low38.9Very low235 Ų235154.5 Ų154.5100%1.25778%0.784SS**  157.20129.4-76.6-15.1000111

Retrieved 236 of 236 residues in 50.2 ms (Link to these results)