A0A087WRI0_MOUSE Loading...

SCO-spondin

AlphaFold DB , UniProt , Accession A0A087WRI0, Species MOUSE (Mus musculus, Mouse), Gene Sspo, Length 179 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
1P81.8Confident87.1Confident162 Ų16273.8 Ų73.8100%1.05243%0.431SS*.  0152.4014.3-31.2000108.6K11P1-K11 WeakPolarHBondContact O-CB 3.35Å
2C86.6Confident87.2Confident32 Ų3274.4 Ų74.422%0.21643%0.431CS..  trans-68.8138.3174.5-159.20000109.8M4 C35 N36C2-M4 PolarHBondContact SG-O 3.08Å; C2-C35 VanDerWaalsContact CA-SG 3.5Å; C2-C35 HydrophobicContact CB-CB 3.86Å; C2-C35 WeakPolarHBondContact CB-SG 2.98Å; C2-C35 VanDerWaalsContact SG-C 3.52Å; C2-C35 WeakPolarHBondContact SG-CB 3.43Å; C2-C35 CovalentContact SG-SG 2.03Å; C2-C35 PolarHBondContact SG-SG 2.83Å; C2-N36 WeakPolarHBondContact CB-ND2 3.44Å
3Q87.4Confident87.1Confident123 Ų12381 Ų8158%0.57544%0.444SS*.SBendtrans-68.1-38.4-178.2-177.1174-35.600112.7F10Q3-F10 WeakPolarHBondContact CB-O 3.44Å; Q3-F10 PolarHBondContact N-O 3.27Å; Q3-F10 VanDerWaalsContact OE1-CE2 3.31Å
4M85.9Confident86.9Confident92 Ų9284.6 Ų84.645%0.45345%0.448SS..SBendtrans-105.5136.5176.5-60.3-60.8-80.500109.9C2 C6 N36C2-M4 PolarHBondContact SG-O 3.08Å; M4-C6 VanDerWaalsContact C-N 3.26Å; M4-C6 PolarHBondContact O-N 3.17Å; M4-N36 PolarHBondContact O-ND2 2.75Å
5P86.9Confident86.5Confident107 Ų10788.4 Ų88.470%0.69545%0.454SS*.SBendtrans-69.2-24.917926.9-33.1000112.7N36P5-N36 PolarHBondContact O-ND2 3.33Å
6C86.8Confident86Confident25 Ų2591.3 Ų91.317%0.16948%0.476CS..SBendtrans-166.4176.4-179.345.10000109.8M4 G8 N36 C40M4-C6 VanDerWaalsContact C-N 3.26Å; M4-C6 PolarHBondContact O-N 3.17Å; C6-G8 PolarHBondContact O-N 3.08Å; C6-N36 CarbonylContact C-O 3.52Å; C6-N36 WeakPolarHBondContact CA-O 3.05Å; C6-C40 HydrophobicContact CB-CB 3.9Å; C6-C40 WeakPolarHBondContact CB-SG 3.29Å; C6-C40 WeakPolarHBondContact SG-CA 3.05Å; C6-C40 WeakPolarHBondContact SG-CB 3.4Å; C6-C40 CovalentContact SG-SG 2.01Å; C6-C40 PolarHBondContact SG-SG 3.31Å
7S85.3Confident85.3Confident85 Ų8589.8 Ų89.859%0.59448%0.481SS*.SBendtrans62.522.4-175.7-58.40000115.1N36 G38 C40S7-N36 PolarHBondContact N-O 3.2Å; S7-G38 PolarHBondContact N-O 3.12Å; S7-C40 PolarHBondContact OG-SG 3.11Å
8G86.6Confident84.7Confident20 Ų2098.8 Ų98.821%0.20651%0.507CS..  trans87.1126176.400000113.2C6 N36 M37C6-G8 PolarHBondContact O-N 3.08Å; G8-N36 WeakPolarHBondContact CA-O 3.49Å; G8-N36 PolarHBondContact N-O 2.83Å; G8-M37 WeakPolarHBondContact CA-SD 3.47Å
9G88.9Confident84Confident10 Ų1098.8 Ų98.810%0.10351%0.508CS..EExtended strand (participates in β ladder)trans-146.2-173.8170.100000110.6C35 M37G9-C35 PolarHBondContact N-O 3.36Å; G9-C35 PolarHBondContact O-N 3.25Å; G9-M37 WeakPolarHBondContact O-CE 3.01Å
10F91.2Very high83Confident89 Ų89100.8 Ų100.839%0.3953%0.525SS..EExtended strand (participates in β ladder)trans-127.2154.7172.960.1-87.1000111.1Q3 T32 E33Q3-F10 WeakPolarHBondContact CB-O 3.44Å; Q3-F10 PolarHBondContact N-O 3.27Å; Q3-F10 VanDerWaalsContact OE1-CE2 3.31Å; F10-T32 HydrophobicContact CB-CG2 3.45Å; F10-T32 VanDerWaalsContact CB-CG2 3.45Å; F10-T32 HydrophobicContact CD2-CG2 3.79Å; F10-T32 HydrophobicContact CG-CG2 3.82Å; F10-E33 CarbonylContact C-O 3.58Å; F10-E33 VanDerWaalsContact CA-O 3.26Å; F10-E33 WeakPolarHBondContact CA-O 3.38Å
11K90.5Very high82.2Confident67 Ų67100.8 Ų100.829%0.29153%0.533SS..EExtended strand (participates in β ladder)trans-123.4145.3167.165.5-175.5-179.4-173.80108.5P1 E33P1-K11 WeakPolarHBondContact O-CB 3.35Å; K11-E33 WeakPolarHBondContact CE-OE1 3.3Å; K11-E33 WeakPolarHBondContact CE-OE2 3.39Å; K11-E33 HydrophobicContact CG-CB 4.1Å; K11-E33 PolarHBondContact N-O 3.42Å; K11-E33 IonicContact NZ-OE1 2.67Å; K11-E33 PolarHBondContact NZ-OE1 3.25Å; K11-E33 IonicContact NZ-OE2 3.18Å; K11-E33 PolarHBondContact NZ-OE2 3.25Å; K11-E33 PolarHBondContact O-N 2.99Å
12L88.5Confident81.2Confident81 Ų8196.4 Ų96.442%0.42451%0.511SS..EExtended strand (participates in β ladder)trans-92.6134.9174.3-68.4167.4000109.8W14 Q31L12-W14 HydrophobicContact CB-CH2 4.35Å; L12-W14 HydrophobicContact CB-CZ2 3.85Å; L12-W14 HydrophobicContact CD1-CH2 3.75Å; L12-W14 HydrophobicContact CD1-CZ2 3.68Å; L12-W14 HydrophobicContact CG-CZ2 4.36Å; L12-Q31 CarbonylContact C-O 3.59Å; L12-Q31 WeakPolarHBondContact CA-O 3.41Å
13R86.1Confident80.3Confident160 Ų16098 Ų9860%0.60453%0.533SS*.EExtended strand (participates in β ladder)trans-114.9120.7171.7-178-179.4180-177.20.9108.6A30 Q31R13-A30 CarbonylContact O-C 3.48Å; R13-A30 WeakPolarHBondContact O-CA 3.44Å; R13-Q31 PolarHBondContact N-O 3.28Å; R13-Q31 PolarHBondContact O-N 3.46Å
14W84.3Confident79.2Confident131 Ų131101.5 Ų101.550%0.49655%0.549SS..EExtended strand (participates in β ladder)trans-96.1142.7-179.2-46.5103.4000110.7L12 W29 A30L12-W14 HydrophobicContact CB-CH2 4.35Å; L12-W14 HydrophobicContact CB-CZ2 3.85Å; L12-W14 HydrophobicContact CD1-CH2 3.75Å; L12-W14 HydrophobicContact CD1-CZ2 3.68Å; L12-W14 HydrophobicContact CG-CZ2 4.36Å; W14-W29 CarbonylContact C-O 3.57Å; W14-W29 WeakPolarHBondContact CA-O 3.33Å; W14-W29 HydrophobicContact CD2-CE3 4.42Å; W14-W29 HydrophobicContact CD2-CZ3 4.12Å; W14-W29 HydrophobicContact CE3-CD2 4.3Å; W14-W29 AromaticContact CE3-CE3 3.32Å; W14-W29 HydrophobicContact CE3-CE3 3.32Å; W14-W29 AromaticContact CE3-CH2 3.9Å; W14-W29 HydrophobicContact CE3-CH2 3.9Å; W14-W29 AromaticContact CE3-CZ3 3.1Å; W14-W29 HydrophobicContact CE3-CZ3 3.1Å; W14-W29 AromaticContact CH2-CH2 3.88Å; W14-W29 HydrophobicContact CH2-CH2 3.88Å; W14-W29 AromaticContact CH2-CZ3 3.85Å; W14-W29 HydrophobicContact CH2-CZ3 3.85Å; W14-W29 HydrophobicContact CZ3-CD2 4.32Å; W14-W29 AromaticContact CZ3-CE3 3.54Å; W14-W29 HydrophobicContact CZ3-CE3 3.54Å; W14-W29 AromaticContact CZ3-CH2 3.21Å; W14-W29 HydrophobicContact CZ3-CH2 3.21Å; W14-W29 HydrophobicContact CZ3-CZ2 4.03Å; W14-W29 AromaticContact CZ3-CZ3 2.94Å; W14-W29 HydrophobicContact CZ3-CZ3 2.94Å; W14-A30 HydrophobicContact CE3-CB 3.37Å; W14-A30 HydrophobicContact CH2-CB 4.34Å; W14-A30 HydrophobicContact CZ3-CB 3.25Å
15R81.3Confident78.4Confident142 Ų142102.2 Ų102.254%0.53656%0.562SS.*  trans-97.8131.3165.4-73.2-169.6-80.2-109.811.9108.6P28 W29R15-P28 PolarHBondContact NE-O 2.75Å; R15-P28 PolarHBondContact NH2-O 3.16Å; R15-W29 PolarHBondContact N-O 3.49Å
16V77.3Confident77.8Confident134 Ų134103.5 Ų103.581%0.81257%0.57SS**  trans-111.6127.5176.6-173.20000108R18V16-R18 PolarHBondContact O-N 2.93Å
17A74.9Confident77.2Confident67 Ų67104.8 Ų104.855%0.55459%0.588SS**  trans-65128.9174.100000109.2
18R74.9Confident76.6Confident252 Ų252105 Ų10595%0.95159%0.587SS**SBendtrans-81.7-22.7-177-168.2177.5-72.4161.8-3.9112.5V16V16-R18 PolarHBondContact O-N 2.93Å
19D70.5Confident76.2Confident98 Ų98112.4 Ų112.452%0.52461%0.609SS.*  trans-134.4129.8179.3-167.8-10.1000109.1S21D19-S21 WeakPolarHBondContact OD1-CB 3.38Å; D19-S21 PolarHBondContact OD1-N 3.49Å; D19-S21 PolarHBondContact OD1-OG 2.03Å; D19-S21 PolarHBondContact OD2-OG 3.38Å
20T64.2Low76Confident139 Ų139113.4 Ų113.485%0.85362%0.616SS**SBendtrans-98.6-2.5-179.249.10000112.5
21S65.3Low75.8Confident100 Ų100113.9 Ų113.970%0.69962%0.62SS**SBendtrans-85.8-10-176.766.50000114.4D19D19-S21 WeakPolarHBondContact OD1-CB 3.38Å; D19-S21 PolarHBondContact OD1-N 3.49Å; D19-S21 PolarHBondContact OD1-OG 2.03Å; D19-S21 PolarHBondContact OD2-OG 3.38Å
22A62.3Low75.7Confident71 Ų71115 Ų11559%0.58763%0.633SS**SBendtrans-120.464.9-174.200000112.9
23G66.6Low75.8Confident66 Ų66115 Ų11568%0.6863%0.63SS**  trans61171.3166.700000116.9C25G23-C25 PolarHBondContact O-N 2.97Å
24E65.2Low76Confident196 Ų196111.4 Ų111.492%0.91663%0.629SS**  trans-75.8113.4176-75.5169.1148.200110P26E24-P26 VanDerWaalsContact O-CD 3.22Å; E24-P26 WeakPolarHBondContact O-CD 3.49Å
25C67.9Low76.4Confident106 Ų106105.9 Ų105.972%0.71661%0.611SS**  trans-72.5114.5174.2-69.40000110.1G23 G27G23-C25 PolarHBondContact O-N 2.97Å; C25-G27 PolarHBondContact O-N 3.39Å
26P74.8Confident76.7Confident134 Ų134102.8 Ų102.887%0.8761%0.605SS**  trans-76116.6-179.729.6-31.4000110.1E24E24-P26 VanDerWaalsContact O-CD 3.22Å; E24-P26 WeakPolarHBondContact O-CD 3.49Å
27G73.8Confident77.2Confident52 Ų52102.2 Ų102.254%0.53660%0.595SS.*SBendtrans171.4161.3174.200000112.3C25 W29C25-G27 PolarHBondContact O-N 3.39Å; G27-W29 PolarHBondContact O-N 3.28Å
28P74.4Confident77.7Confident89 Ų89101.3 Ų101.358%0.57859%0.592SS**  trans-63.6123.9179.914.2-18000109.8R15 A30R15-P28 PolarHBondContact NE-O 2.75Å; R15-P28 PolarHBondContact NH2-O 3.16Å; P28-A30 PolarHBondContact O-N 3.35Å
29W76.6Confident78.2Confident177 Ų17794.7 Ų94.767%0.6758%0.584SS**SBendtrans-82.1-8-179.861.8-84.7000112.3W14 R15 G27W14-W29 CarbonylContact C-O 3.57Å; W14-W29 WeakPolarHBondContact CA-O 3.33Å; W14-W29 HydrophobicContact CD2-CE3 4.42Å; W14-W29 HydrophobicContact CD2-CZ3 4.12Å; W14-W29 HydrophobicContact CE3-CD2 4.3Å; W14-W29 AromaticContact CE3-CE3 3.32Å; W14-W29 HydrophobicContact CE3-CE3 3.32Å; W14-W29 AromaticContact CE3-CH2 3.9Å; W14-W29 HydrophobicContact CE3-CH2 3.9Å; W14-W29 AromaticContact CE3-CZ3 3.1Å; W14-W29 HydrophobicContact CE3-CZ3 3.1Å; W14-W29 AromaticContact CH2-CH2 3.88Å; W14-W29 HydrophobicContact CH2-CH2 3.88Å; W14-W29 AromaticContact CH2-CZ3 3.85Å; W14-W29 HydrophobicContact CH2-CZ3 3.85Å; W14-W29 HydrophobicContact CZ3-CD2 4.32Å; W14-W29 AromaticContact CZ3-CE3 3.54Å; W14-W29 HydrophobicContact CZ3-CE3 3.54Å; W14-W29 AromaticContact CZ3-CH2 3.21Å; W14-W29 HydrophobicContact CZ3-CH2 3.21Å; W14-W29 HydrophobicContact CZ3-CZ2 4.03Å; W14-W29 AromaticContact CZ3-CZ3 2.94Å; W14-W29 HydrophobicContact CZ3-CZ3 2.94Å; R15-W29 PolarHBondContact N-O 3.49Å; G27-W29 PolarHBondContact O-N 3.28Å
30A84.6Confident78.9Confident31 Ų3192.8 Ų92.826%0.25658%0.578SS.*EExtended strand (participates in β ladder)trans-133.9140.6-178.600000111.1R13 W14 P28R13-A30 CarbonylContact O-C 3.48Å; R13-A30 WeakPolarHBondContact O-CA 3.44Å; W14-A30 HydrophobicContact CE3-CB 3.37Å; W14-A30 HydrophobicContact CH2-CB 4.34Å; W14-A30 HydrophobicContact CZ3-CB 3.25Å; P28-A30 PolarHBondContact O-N 3.35Å
31Q87.4Confident79.8Confident99 Ų9992.3 Ų92.346%0.46358%0.577SS.*EExtended strand (participates in β ladder)trans-128.9136172.6-175.9179.230.800109.9L12 R13L12-Q31 CarbonylContact C-O 3.59Å; L12-Q31 WeakPolarHBondContact CA-O 3.41Å; R13-Q31 PolarHBondContact N-O 3.28Å; R13-Q31 PolarHBondContact O-N 3.46Å
32T89.1Confident80.6Confident91 Ų9191 Ų9156%0.55858%0.579SS**EExtended strand (participates in β ladder)trans-93.8130.3175-51.60000109.7F10F10-T32 HydrophobicContact CB-CG2 3.45Å; F10-T32 VanDerWaalsContact CB-CG2 3.45Å; F10-T32 HydrophobicContact CD2-CG2 3.79Å; F10-T32 HydrophobicContact CG-CG2 3.82Å
33E89.4Confident81.7Confident80 Ų8094.4 Ų94.437%0.37460%0.597SS.*EExtended strand (participates in β ladder)trans-123.4131.5177-169.5-171.714200109.5F10 K11F10-E33 CarbonylContact C-O 3.58Å; F10-E33 VanDerWaalsContact CA-O 3.26Å; F10-E33 WeakPolarHBondContact CA-O 3.38Å; K11-E33 WeakPolarHBondContact CE-OE1 3.3Å; K11-E33 WeakPolarHBondContact CE-OE2 3.39Å; K11-E33 HydrophobicContact CG-CB 4.1Å; K11-E33 PolarHBondContact N-O 3.42Å; K11-E33 IonicContact NZ-OE1 2.67Å; K11-E33 PolarHBondContact NZ-OE1 3.25Å; K11-E33 IonicContact NZ-OE2 3.18Å; K11-E33 PolarHBondContact NZ-OE2 3.25Å; K11-E33 PolarHBondContact O-N 2.99Å
34S92.2Very high82.8Confident84 Ų84102.6 Ų102.659%0.58761%0.607SS**EExtended strand (participates in β ladder)trans-66.1136.917338.40000110.9
35C91.4Very high84.1Confident16 Ų1693.8 Ų93.811%0.10857%0.567CS.*EExtended strand (participates in β ladder)trans-147.9160.7178.749.30000111C2 G9 M37C2-C35 VanDerWaalsContact CA-SG 3.5Å; C2-C35 HydrophobicContact CB-CB 3.86Å; C2-C35 WeakPolarHBondContact CB-SG 2.98Å; C2-C35 VanDerWaalsContact SG-C 3.52Å; C2-C35 WeakPolarHBondContact SG-CB 3.43Å; C2-C35 CovalentContact SG-SG 2.03Å; C2-C35 PolarHBondContact SG-SG 2.83Å; G9-C35 PolarHBondContact N-O 3.36Å; G9-C35 PolarHBondContact O-N 3.25Å; C35-M37 VanDerWaalsContact C-N 3.3Å; C35-M37 PolarHBondContact O-N 3.24Å
36N88.7Confident85.3Confident76 Ų7692.2 Ų92.241%0.40656%0.556SS.*  trans52.442.5176.5-60.9-11.2000114.4C2 M4 P5 C6 S7 G8 G38C2-N36 WeakPolarHBondContact CB-ND2 3.44Å; M4-N36 PolarHBondContact O-ND2 2.75Å; P5-N36 PolarHBondContact O-ND2 3.33Å; C6-N36 CarbonylContact C-O 3.52Å; C6-N36 WeakPolarHBondContact CA-O 3.05Å; S7-N36 PolarHBondContact N-O 3.2Å; G8-N36 WeakPolarHBondContact CA-O 3.49Å; G8-N36 PolarHBondContact N-O 2.83Å; N36-G38 PolarHBondContact O-N 2.9Å
37M87.5Confident86.2Confident123 Ų12392.3 Ų92.361%0.60656%0.557SS**  trans-71.4-2.7179.5-65.2-64.7160.100114.2G8 G9 C35G8-M37 WeakPolarHBondContact CA-SD 3.47Å; G9-M37 WeakPolarHBondContact O-CE 3.01Å; C35-M37 VanDerWaalsContact C-N 3.3Å; C35-M37 PolarHBondContact O-N 3.24Å
38G85.5Confident86.9Confident47 Ų4792.2 Ų92.249%0.48556%0.556SS.*SBendtrans-75.7148.617500000112.1S7 N36S7-G38 PolarHBondContact N-O 3.12Å; N36-G38 PolarHBondContact O-N 2.9Å
39S85.9Confident87.9Confident113 Ų11391.5 Ų91.579%0.7955%0.545SS*.PPolyproline II helixtrans-60.4142.7176-530000111.9
40C83.5Confident88.6Confident58 Ų5887.5 Ų87.539%0.39254%0.536SS..PPolyproline II helixtrans-67.2139.7171.6-610000111.4C6 S7 G42C6-C40 HydrophobicContact CB-CB 3.9Å; C6-C40 WeakPolarHBondContact CB-SG 3.29Å; C6-C40 WeakPolarHBondContact SG-CA 3.05Å; C6-C40 WeakPolarHBondContact SG-CB 3.4Å; C6-C40 CovalentContact SG-SG 2.01Å; C6-C40 PolarHBondContact SG-SG 3.31Å; S7-C40 PolarHBondContact OG-SG 3.11Å; C40-G42 PolarHBondContact O-N 2.01Å
41P82.9Confident89.1Confident130 Ų13090.7 Ų90.784%0.84455%0.552SS**PPolyproline II helixtrans-63.2131.7165.726.2-30.9000109.4
42G83.4Confident89.2Confident72 Ų7287.7 Ų87.774%0.74254%0.538SS*.  trans-171.2167.9-177.600000112.2C40C40-G42 PolarHBondContact O-N 2.01Å
43C85.3Confident89.3Confident142 Ų14288.8 Ų88.896%0.95954%0.54SS*.  trans-76.4136.4174.8-60.10000109.9
44R89Confident89.3Confident238 Ų23888.2 Ų88.290%0.89856%0.556SS**  trans-132.7146.8174.6-171.1-176174.6172.41.6109.1
45C93.2Very high89.4Confident11 Ų1190.7 Ų90.77%0.07456%0.558CS.*PPolyproline II helixtrans-64.7153.7170.7-64.10000112.1Q49 V51 C56C45-Q49 HydrophobicContact CB-CB 3.93Å; C45-V51 WeakPolarHBondContact SG-CG2 3.31Å; C45-C56 WeakPolarHBondContact CA-SG 3.25Å; C45-C56 HydrophobicContact CB-CB 3.81Å; C45-C56 WeakPolarHBondContact CB-SG 3.5Å; C45-C56 WeakPolarHBondContact SG-CA 3.46Å; C45-C56 WeakPolarHBondContact SG-CB 3.31Å; C45-C56 CovalentContact SG-SG 2.03Å; C45-C56 PolarHBondContact SG-SG 2.96Å
46P93.6Very high89.5Confident73 Ų7392.9 Ų92.947%0.47457%0.573SS.*PPolyproline II helixtrans-55.2160.7170.3-21.732.5000112.3G48 Q49P46-G48 PolarHBondContact O-N 3.43Å; P46-Q49 PolarHBondContact O-N 2.85Å
47P92.6Very high89.8Confident137 Ų13790.6 Ų90.689%0.8956%0.562SS**THydrogen-bonded Turntrans-52.7133.2174.3-24.634.2000112.1
48G89.1Confident90.2Very high50 Ų5087.4 Ų87.452%0.51555%0.55SS.*THydrogen-bonded Turntrans86.92.7-179.900000115.7P46 I59P46-G48 PolarHBondContact O-N 3.43Å; G48-I59 PolarHBondContact O-N 2.86Å
49Q94.7Very high90.5Very high74 Ų7488.4 Ų88.435%0.34654%0.544SS..EExtended strand (participates in β ladder)trans-122.9151175.7-64.6-177.79.400111.7C45 P46 C56 V57C45-Q49 HydrophobicContact CB-CB 3.93Å; P46-Q49 PolarHBondContact O-N 2.85Å; Q49-C56 HydrophobicContact CB-CB 4.31Å; Q49-C56 VanDerWaalsContact OE1-CB 3.25Å; Q49-V57 CarbonylContact C-O 3.54Å; Q49-V57 WeakPolarHBondContact CA-O 3.4Å; Q49-V57 WeakPolarHBondContact CB-O 3.41Å
50L92.8Very high90.8Very high93 Ų9386.6 Ų86.649%0.48753%0.531SS..EExtended strand (participates in β ladder)trans-124.4152.3178.9-64176.7000110.1C56 V57 I59L50-C56 WeakPolarHBondContact O-CA 3.33Å; L50-V57 PolarHBondContact N-O 2.96Å; L50-V57 WeakPolarHBondContact O-CG2 3.4Å; L50-V57 PolarHBondContact O-N 3.36Å; L50-I59 HydrophobicContact CD1-CG1 4.1Å; L50-I59 HydrophobicContact CG-CG1 4.16Å
51V93.6Very high91.3Very high98 Ų9886.5 Ų86.559%0.59453%0.531SS*.EExtended strand (participates in β ladder)trans-79.5124.6175.5-179.90000108.9C45 H55C45-V51 WeakPolarHBondContact SG-CG2 3.31Å; V51-H55 CarbonylContact C-O 3.46Å; V51-H55 VanDerWaalsContact CA-O 3.3Å; V51-H55 WeakPolarHBondContact CA-O 3.4Å
52Q90.4Very high91.8Very high36 Ų3680.7 Ų80.717%0.16849%0.493CS..EExtended strand (participates in β ladder)trans-139.1125.8173.8-169.3178-84.300108.2G54 H55 V57 R63Q52-G54 PolarHBondContact O-N 2.82Å; Q52-H55 PolarHBondContact N-O 3.23Å; Q52-H55 PolarHBondContact O-N 2.97Å; Q52-H55 VanDerWaalsContact O-N 3.08Å; Q52-H55 VanDerWaalsContact O-O 3.13Å; Q52-V57 HydrophobicContact CB-CG1 4.34Å; Q52-V57 HydrophobicContact CB-CG2 3.54Å; Q52-V57 HydrophobicContact CG-CG2 4.48Å; Q52-R63 VanDerWaalsContact CD-CG 3.44Å; Q52-R63 VanDerWaalsContact CD-NH1 3.29Å; Q52-R63 HydrophobicContact CG-CG 4.32Å
53D90.5Very high92.3Very high113 Ų11380.1 Ų80.160%0.60447%0.469SS*.THydrogen-bonded Turntrans5236.9-172.1-53-42.8000114.5H55 R63D53-H55 PolarHBondContact O-N 2.96Å; D53-H55 PolarHBondContact O-ND1 3.13Å; D53-R63 IonicContact OD1-CZ 3.68Å; D53-R63 IonicContact OD1-NH1 3.47Å; D53-R63 IonicContact OD1-NH2 3.63Å; D53-R63 PolarHBondContact OD1-NH2 3.5Å; D53-R63 IonicContact OD2-CZ 3.05Å; D53-R63 IonicContact OD2-NH1 3.77Å; D53-R63 PolarHBondContact OD2-NH1 2.53Å; D53-R63 IonicContact OD2-NH2 2.83Å; D53-R63 PolarHBondContact OD2-NH2 3.11Å
54G89.3Confident92.6Very high69 Ų6973.4 Ų73.471%0.71142%0.424SS*.THydrogen-bonded Turntrans77.31.8-179.800000115.3Q52Q52-G54 PolarHBondContact O-N 2.82Å
55H93.9Very high92.6Very high136 Ų13664.7 Ų64.763%0.6341%0.408SS*.EExtended strand (participates in β ladder)trans-116.3153.1178.7-57.984.3000111V51 Q52 D53V51-H55 CarbonylContact C-O 3.46Å; V51-H55 VanDerWaalsContact CA-O 3.3Å; V51-H55 WeakPolarHBondContact CA-O 3.4Å; Q52-H55 PolarHBondContact N-O 3.23Å; Q52-H55 PolarHBondContact O-N 2.97Å; Q52-H55 VanDerWaalsContact O-N 3.08Å; Q52-H55 VanDerWaalsContact O-O 3.13Å; D53-H55 PolarHBondContact O-N 2.96Å; D53-H55 PolarHBondContact O-ND1 3.13Å
56C94.9Very high92.1Very high61 Ų6165.6 Ų65.641%0.41241%0.412SS..EExtended strand (participates in β ladder)trans-81120.2172.6-64.20000110.3C45 Q49 L50C45-C56 WeakPolarHBondContact CA-SG 3.25Å; C45-C56 HydrophobicContact CB-CB 3.81Å; C45-C56 WeakPolarHBondContact CB-SG 3.5Å; C45-C56 WeakPolarHBondContact SG-CA 3.46Å; C45-C56 WeakPolarHBondContact SG-CB 3.31Å; C45-C56 CovalentContact SG-SG 2.03Å; C45-C56 PolarHBondContact SG-SG 2.96Å; Q49-C56 HydrophobicContact CB-CB 4.31Å; Q49-C56 VanDerWaalsContact OE1-CB 3.25Å; L50-C56 WeakPolarHBondContact O-CA 3.33Å
57V94.9Very high90.9Very high28 Ų2868.2 Ų68.217%0.1743%0.429CS..EExtended strand (participates in β ladder)trans-116.4146.5175.8-62.20000110.5Q49 L50 Q52Q49-V57 CarbonylContact C-O 3.54Å; Q49-V57 WeakPolarHBondContact CA-O 3.4Å; Q49-V57 WeakPolarHBondContact CB-O 3.41Å; L50-V57 PolarHBondContact N-O 2.96Å; L50-V57 WeakPolarHBondContact O-CG2 3.4Å; L50-V57 PolarHBondContact O-N 3.36Å; Q52-V57 HydrophobicContact CB-CG1 4.34Å; Q52-V57 HydrophobicContact CB-CG2 3.54Å; Q52-V57 HydrophobicContact CG-CG2 4.48Å
58P95.1Very high89.6Confident57 Ų5764.1 Ų64.137%0.3740%0.403SS..EExtended strand (participates in β ladder)trans-59.2148.2169-2032.1000111S60 S61 C62P58-S60 PolarHBondContact O-N 3.15Å; P58-S60 VanDerWaalsContact O-N 3.16Å; P58-S61 PolarHBondContact O-N 3.05Å; P58-C62 PolarHBondContact O-N 2.94Å
59I92.3Very high88.4Confident68 Ų6866.7 Ų66.735%0.34942%0.42SS..G310 helixtrans-53.4-38.1177.6-68163.8000111.6G48 L50 S61 C62 N92G48-I59 PolarHBondContact O-N 2.86Å; L50-I59 HydrophobicContact CD1-CG1 4.1Å; L50-I59 HydrophobicContact CG-CG1 4.16Å; I59-S61 PolarHBondContact O-N 2.96Å; I59-C62 VanDerWaalsContact O-CB 3.31Å; I59-C62 WeakPolarHBondContact O-CB 3.28Å; I59-C62 PolarHBondContact O-N 3.09Å; I59-C62 VanDerWaalsContact O-N 3.11Å; I59-N92 HydrophobicContact CG2-CB 3.55Å; I59-N92 CarbonylContact O-C 3.55Å; I59-N92 VanDerWaalsContact O-CA 3.26Å; I59-N92 WeakPolarHBondContact O-CA 2.97Å
60S92.3Very high87.1Confident74 Ų7470.8 Ų70.852%0.51744%0.444SS..G310 helixtrans-65.2-17.517855.80000114.8P58 N92P58-S60 PolarHBondContact O-N 3.15Å; P58-S60 VanDerWaalsContact O-N 3.16Å; S60-N92 VanDerWaalsContact CA-OD1 3.26Å; S60-N92 WeakPolarHBondContact CA-OD1 3.38Å
61S94.1Very high85.7Confident56 Ų5668.3 Ų68.339%0.39244%0.437SS..G310 helixtrans-103.67177.6-54.40000112.6P58 I59 P77P58-S61 PolarHBondContact O-N 3.05Å; I59-S61 PolarHBondContact O-N 2.96Å; S61-P77 WeakPolarHBondContact O-CG 3.49Å
62C93.7Very high84.7Confident8 Ų868.7 Ų68.75%0.05444%0.444CS..PPolyproline II helixtrans-69.5133.5174.8-71.30000111P58 I59 G93P58-C62 PolarHBondContact O-N 2.94Å; I59-C62 VanDerWaalsContact O-CB 3.31Å; I59-C62 WeakPolarHBondContact O-CB 3.28Å; I59-C62 PolarHBondContact O-N 3.09Å; I59-C62 VanDerWaalsContact O-N 3.11Å; C62-G93 PolarHBondContact O-N 3.47Å
63R93.7Very high84.1Confident60 Ų6075.1 Ų75.123%0.22647%0.467CS..PPolyproline II helixtrans-75.2151169.848.2162.9-177.3-853.9110.4Q52 D53 E74 L75Q52-R63 VanDerWaalsContact CD-CG 3.44Å; Q52-R63 VanDerWaalsContact CD-NH1 3.29Å; Q52-R63 HydrophobicContact CG-CG 4.32Å; D53-R63 IonicContact OD1-CZ 3.68Å; D53-R63 IonicContact OD1-NH1 3.47Å; D53-R63 IonicContact OD1-NH2 3.63Å; D53-R63 PolarHBondContact OD1-NH2 3.5Å; D53-R63 IonicContact OD2-CZ 3.05Å; D53-R63 IonicContact OD2-NH1 3.77Å; D53-R63 PolarHBondContact OD2-NH1 2.53Å; D53-R63 IonicContact OD2-NH2 2.83Å; D53-R63 PolarHBondContact OD2-NH2 3.11Å; R63-E74 WeakPolarHBondContact CD-OE1 3.38Å; R63-E74 WeakPolarHBondContact CD-OE2 3.09Å; R63-E74 IonicContact CZ-OE1 2.87Å; R63-E74 IonicContact CZ-OE2 3.11Å; R63-E74 IonicContact NE-OE1 2.83Å; R63-E74 PolarHBondContact NE-OE1 2.89Å; R63-E74 IonicContact NE-OE2 3.5Å; R63-E74 PolarHBondContact NE-OE2 3Å; R63-E74 IonicContact NH2-OE1 3.22Å; R63-L75 VanDerWaalsContact CA-O 3.26Å; R63-L75 WeakPolarHBondContact CA-O 3.41Å; R63-L75 VanDerWaalsContact CB-O 3.25Å; R63-L75 WeakPolarHBondContact CB-O 3.25Å
64C92.1Very high84Confident2 Ų275.1 Ų75.11%0.01446%0.463CS..EExtended strand (participates in β ladder)trans-100.5136.7176.7-57.30000110.3E74 L75 C90 T94 L95C64-E74 CarbonylContact O-C 3.56Å; C64-E74 WeakPolarHBondContact O-CA 3.26Å; C64-L75 HydrophobicContact CB-CB 4.29Å; C64-L75 PolarHBondContact N-O 2.8Å; C64-L75 PolarHBondContact O-N 3.3Å; C64-C90 HydrophobicContact CB-CB 3.78Å; C64-C90 WeakPolarHBondContact CB-SG 3.42Å; C64-C90 PolarHBondContact N-SG 2.65Å; C64-C90 WeakPolarHBondContact SG-CA 3.41Å; C64-C90 WeakPolarHBondContact SG-CB 3.06Å; C64-C90 CovalentContact SG-SG 2.03Å; C64-C90 PolarHBondContact SG-SG 2.79Å; C64-T94 VanDerWaalsContact SG-C 3.53Å; C64-T94 PolarHBondContact SG-N 3.05Å; C64-T94 VanDerWaalsContact SG-N 3.36Å; C64-T94 PolarHBondContact SG-O 3.34Å; C64-T94 VanDerWaalsContact SG-O 3.4Å; C64-L95 HydrophobicContact CB-CD2 3.77Å; C64-L95 HydrophobicContact CB-CG 4Å
65G88.3Confident84.1Confident55 Ų5572.3 Ų72.357%0.56743%0.432SS*.EExtended strand (participates in β ladder)trans-91.8135.8173.300000111.7
66L83.2Confident84Confident29 Ų2968.2 Ų68.215%0.15242%0.421CS..EExtended strand (participates in β ladder)trans-97.8123169-74.4165.6000109.6S68 W73 L75 L83 L95L66-S68 PolarHBondContact O-N 2.89Å; L66-W73 HydrophobicContact CB-CB 4.19Å; L66-W73 HydrophobicContact CD1-CB 4.08Å; L66-W73 PolarHBondContact N-O 2.83Å; L66-L75 HydrophobicContact CD1-CD1 3.7Å; L66-L75 HydrophobicContact CD1-CD2 4.31Å; L66-L75 HydrophobicContact CD1-CG 3.97Å; L66-L75 HydrophobicContact CD2-CD1 4.14Å; L66-L75 HydrophobicContact CG-CD1 3.75Å; L66-L75 HydrophobicContact CG-CG 4.34Å; L66-L83 HydrophobicContact CD2-CD1 3.74Å; L66-L83 HydrophobicContact CD2-CD2 3.86Å; L66-L83 HydrophobicContact CD2-CG 4.32Å; L66-L95 HydrophobicContact CD2-CD1 3.41Å; L66-L95 VanDerWaalsContact CD2-CD1 3.41Å; L66-L95 HydrophobicContact CG-CD1 4.2Å
67P67.6Low84Confident129 Ų12967.4 Ų67.484%0.83842%0.416SS*.EExtended strand (participates in β ladder)trans-72.1101.1173.529.2-30.9000108.4
68S65.6Low83.9Confident50 Ų5071.6 Ų71.635%0.3544%0.441SS..EExtended strand (participates in β ladder)trans-117.9139.8167.996.60000109.6L66 N70 A71L66-S68 PolarHBondContact O-N 2.89Å; S68-N70 PolarHBondContact O-N 2.99Å; S68-N70 VanDerWaalsContact O-N 3.09Å; S68-A71 WeakPolarHBondContact CB-O 2.95Å; S68-A71 PolarHBondContact O-N 3.1Å; S68-A71 VanDerWaalsContact O-O 3.13Å; S68-A71 PolarHBondContact OG-N 3.42Å; S68-A71 VanDerWaalsContact OG-N 3.11Å; S68-A71 PolarHBondContact OG-O 3.17Å
69A63.7Low83.8Confident104 Ų10472.9 Ų72.986%0.8644%0.442SS*.THydrogen-bonded Turntrans-60.6-22.8-174.600000113.4
70N67.4Low83.8Confident161 Ų16173.6 Ų73.686%0.86145%0.449SS*.THydrogen-bonded Turntrans-118.2-6.5-171.1-63.5-14.1000113.9S68S68-N70 PolarHBondContact O-N 2.99Å; S68-N70 VanDerWaalsContact O-N 3.09Å
71A62.6Low83.8Confident41 Ų4171.7 Ų71.734%0.33944%0.435SS..EExtended strand (participates in β ladder)trans-162149.8178.800000112.5S68 W73S68-A71 WeakPolarHBondContact CB-O 2.95Å; S68-A71 PolarHBondContact O-N 3.1Å; S68-A71 VanDerWaalsContact O-O 3.13Å; S68-A71 PolarHBondContact OG-N 3.42Å; S68-A71 VanDerWaalsContact OG-N 3.11Å; S68-A71 PolarHBondContact OG-O 3.17Å; A71-W73 PolarHBondContact O-N 3.03Å
72S72.4Confident83.5Confident106 Ų10674.8 Ų74.874%0.74144%0.443SS*.EExtended strand (participates in β ladder)trans-93.390.5166.957.50000108.9
73W78.2Confident83.1Confident171 Ų17177.1 Ų77.165%0.64846%0.455SS*.EExtended strand (participates in β ladder)trans-76.7134173.9-64.196000109.6L66 A71L66-W73 HydrophobicContact CB-CB 4.19Å; L66-W73 HydrophobicContact CD1-CB 4.08Å; L66-W73 PolarHBondContact N-O 2.83Å; A71-W73 PolarHBondContact O-N 3.03Å
74E89.3Confident82.6Confident113 Ų11381.4 Ų81.453%0.52848%0.482SS..EExtended strand (participates in β ladder)trans-111.6133.1178.3-63.1-172.9151.800109.8R63 C64R63-E74 WeakPolarHBondContact CD-OE1 3.38Å; R63-E74 WeakPolarHBondContact CD-OE2 3.09Å; R63-E74 IonicContact CZ-OE1 2.87Å; R63-E74 IonicContact CZ-OE2 3.11Å; R63-E74 IonicContact NE-OE1 2.83Å; R63-E74 PolarHBondContact NE-OE1 2.89Å; R63-E74 IonicContact NE-OE2 3.5Å; R63-E74 PolarHBondContact NE-OE2 3Å; R63-E74 IonicContact NH2-OE1 3.22Å; C64-E74 CarbonylContact O-C 3.56Å; C64-E74 WeakPolarHBondContact O-CA 3.26Å
75L90.8Very high82.3Confident9 Ų982.7 Ų82.75%0.04749%0.491CS..EExtended strand (participates in β ladder)trans-104.7134.3177.4-67161.4000109.6R63 C64 L66 Q79 V81 C90 L95R63-L75 VanDerWaalsContact CA-O 3.26Å; R63-L75 WeakPolarHBondContact CA-O 3.41Å; R63-L75 VanDerWaalsContact CB-O 3.25Å; R63-L75 WeakPolarHBondContact CB-O 3.25Å; C64-L75 HydrophobicContact CB-CB 4.29Å; C64-L75 PolarHBondContact N-O 2.8Å; C64-L75 PolarHBondContact O-N 3.3Å; L66-L75 HydrophobicContact CD1-CD1 3.7Å; L66-L75 HydrophobicContact CD1-CD2 4.31Å; L66-L75 HydrophobicContact CD1-CG 3.97Å; L66-L75 HydrophobicContact CD2-CD1 4.14Å; L66-L75 HydrophobicContact CG-CD1 3.75Å; L66-L75 HydrophobicContact CG-CG 4.34Å; L75-Q79 HydrophobicContact CB-CB 4.44Å; L75-Q79 HydrophobicContact CD2-CG 4.02Å; L75-V81 HydrophobicContact CD1-CB 4.21Å; L75-V81 HydrophobicContact CD1-CG1 3.52Å; L75-V81 HydrophobicContact CD2-CB 3.94Å; L75-V81 HydrophobicContact CD2-CG1 4.2Å; L75-V81 HydrophobicContact CD2-CG2 4.43Å; L75-C90 HydrophobicContact CB-CB 4.16Å; L75-L95 HydrophobicContact CD1-CD2 3.43Å; L75-L95 VanDerWaalsContact CD1-CD2 3.43Å
76A92.5Very high82.3Confident50 Ų5081.6 Ų81.641%0.41347%0.471SS..  trans-64.2155.9173.500000110.9T78 Q79 C90A76-T78 PolarHBondContact O-N 2.86Å; A76-Q79 HydrophobicContact CB-CB 4.23Å; A76-Q79 WeakPolarHBondContact O-CB 3.39Å; A76-Q79 PolarHBondContact O-N 2.83Å; A76-C90 WeakPolarHBondContact O-CB 3.1Å
77P93.6Very high82.6Confident45 Ų4583.6 Ų83.629%0.29248%0.482SS..THydrogen-bonded Turntrans-54.3137.4173.1-23.133.2000110.8S61 Q79S61-P77 WeakPolarHBondContact O-CG 3.49Å; P77-Q79 PolarHBondContact O-N 3.24Å; P77-Q79 VanDerWaalsContact O-N 3.13Å
78T92.8Very high83.7Confident115 Ų11577.5 Ų77.571%0.70644%0.442SS*.THydrogen-bonded Turntrans64.44-17770.90000115.7A76 C90A76-T78 PolarHBondContact O-N 2.86Å; T78-C90 WeakPolarHBondContact CA-O 3.01Å; T78-C90 PolarHBondContact N-O 3.4Å
79Q94.2Very high85Confident85 Ų8577 Ų7740%0.39744%0.437SS..  trans-69136174.5-172.2174.4-1500110.6L75 A76 P77 C90L75-Q79 HydrophobicContact CB-CB 4.44Å; L75-Q79 HydrophobicContact CD2-CG 4.02Å; A76-Q79 HydrophobicContact CB-CB 4.23Å; A76-Q79 WeakPolarHBondContact O-CB 3.39Å; A76-Q79 PolarHBondContact O-N 2.83Å; P77-Q79 PolarHBondContact O-N 3.24Å; P77-Q79 VanDerWaalsContact O-N 3.13Å; Q79-C90 PolarHBondContact O-N 2.87Å
80V92.8Very high86.5Confident82 Ų8272.1 Ų72.150%0.49740%0.396SS..EExtended strand (participates in β ladder)trans-98.9134.2175-174.50000109.1N87 C88 T89V80-N87 HydrophobicContact CG1-CB 4.01Å; V80-C88 WeakPolarHBondContact CA-O 3.43Å; V80-T89 HydrophobicContact CG2-CG2 4.29Å
81V90.9Very high87.7Confident35 Ų3568.1 Ų68.121%0.21237%0.374CS..EExtended strand (participates in β ladder)trans-130.6143.9174.161.60000109.3L75 L83 C88L75-V81 HydrophobicContact CD1-CB 4.21Å; L75-V81 HydrophobicContact CD1-CG1 3.52Å; L75-V81 HydrophobicContact CD2-CB 3.94Å; L75-V81 HydrophobicContact CD2-CG1 4.2Å; L75-V81 HydrophobicContact CD2-CG2 4.43Å; V81-L83 HydrophobicContact CB-CD1 4.12Å; V81-L83 HydrophobicContact CG1-CD1 3.26Å; V81-L83 HydrophobicContact CG2-CD1 3.86Å; V81-C88 HydrophobicContact CG1-CB 4.22Å; V81-C88 PolarHBondContact N-O 3.08Å; V81-C88 PolarHBondContact O-N 3.31Å
82Q87.9Confident89.2Confident120 Ų12070.3 Ų70.356%0.56138%0.38SS*.EExtended strand (participates in β ladder)trans-88.9109.5174.1-165.2-179.8-3800108.7D84 H86Q82-D84 PolarHBondContact NE2-O 2.67Å; Q82-H86 WeakPolarHBondContact CA-O 3.02Å
83L85.5Confident90Very high58 Ų5866.5 Ų66.530%0.30436%0.358SS..EExtended strand (participates in β ladder)trans-105115169.6-88.279.5000107.5L66 V81 C85 H86 C88L66-L83 HydrophobicContact CD2-CD1 3.74Å; L66-L83 HydrophobicContact CD2-CD2 3.86Å; L66-L83 HydrophobicContact CD2-CG 4.32Å; V81-L83 HydrophobicContact CB-CD1 4.12Å; V81-L83 HydrophobicContact CG1-CD1 3.26Å; V81-L83 HydrophobicContact CG2-CD1 3.86Å; L83-C85 PolarHBondContact O-N 2.83Å; L83-H86 PolarHBondContact N-O 3.44Å; L83-H86 PolarHBondContact O-N 2.7Å; L83-C88 HydrophobicContact CD1-CB 4.37Å
84D84.4Confident90.5Very high149 Ų14962.1 Ų62.180%0.79735%0.35SS*.THydrogen-bonded Turntrans54.8-106-172-54.8-51.1000111.1Q82Q82-D84 PolarHBondContact NE2-O 2.67Å
85C85.4Confident90.6Very high29 Ų2958.7 Ų58.720%0.19634%0.335CS..THydrogen-bonded Turntrans-106.9-1.1177.173.10000113.5L83 C102L83-C85 PolarHBondContact O-N 2.83Å; C85-C102 HydrophobicContact CB-CB 3.81Å; C85-C102 WeakPolarHBondContact CB-SG 3.4Å; C85-C102 WeakPolarHBondContact SG-CA 3.04Å; C85-C102 WeakPolarHBondContact SG-CB 3.07Å; C85-C102 CovalentContact SG-SG 2.03Å; C85-C102 PolarHBondContact SG-SG 3.4Å
86H86.8Confident90.6Very high33 Ų3363 Ų6315%0.15336%0.356CS..EExtended strand (participates in β ladder)trans-102.2133.7-172.6-66.7-52.9000112.3Q82 L83 C88 C97 L100Q82-H86 WeakPolarHBondContact CA-O 3.02Å; L83-H86 PolarHBondContact N-O 3.44Å; L83-H86 PolarHBondContact O-N 2.7Å; H86-C88 PolarHBondContact O-N 2.94Å; H86-C97 HydrophobicContact CB-CB 4.46Å; H86-L100 PolarHBondContact CE1-O 2.9Å; H86-L100 PolarHBondContact NE2-O 3.2Å
87N89.4Confident90.5Very high70 Ų7063.6 Ų63.637%0.37436%0.356SS..EExtended strand (participates in β ladder)trans-84.388.5169.1-72.7-31000109.7V80V80-N87 HydrophobicContact CG1-CB 4.01Å
88C90.9Very high90.3Very high1 Ų163.6 Ų63.61%0.00736%0.356CS..EExtended strand (participates in β ladder)trans-82.8132.8179.1-60.50000110.3V80 V81 L83 H86 M96 C97V80-C88 WeakPolarHBondContact CA-O 3.43Å; V81-C88 HydrophobicContact CG1-CB 4.22Å; V81-C88 PolarHBondContact N-O 3.08Å; V81-C88 PolarHBondContact O-N 3.31Å; L83-C88 HydrophobicContact CD1-CB 4.37Å; H86-C88 PolarHBondContact O-N 2.94Å; C88-M96 WeakPolarHBondContact CA-O 3.31Å; C88-C97 HydrophobicContact CB-CB 4.12Å; C88-C97 WeakPolarHBondContact CB-SG 3.32Å; C88-C97 WeakPolarHBondContact SG-CB 3.3Å; C88-C97 CovalentContact SG-SG 2.03Å; C88-C97 PolarHBondContact SG-SG 2.84Å
89T93.8Very high89.8Confident40 Ų4067.4 Ų67.425%0.24537%0.366CS..EExtended strand (participates in β ladder)trans-109.4136.1178.2-52.20000110.2V80 I91 M96V80-T89 HydrophobicContact CG2-CG2 4.29Å; T89-I91 HydrophobicContact CG2-CD1 4.26Å; T89-I91 HydrophobicContact CG2-CG1 3.88Å; T89-I91 PolarHBondContact O-N 3.05Å; T89-M96 PolarHBondContact N-O 2.97Å; T89-M96 PolarHBondContact O-N 2.03Å
90C94.3Very high89.3Confident1 Ų166.3 Ų66.31%0.00736%0.363CS..EExtended strand (participates in β ladder)trans-75.7109.9171.61790000110.5C64 L75 A76 T78 Q79 L95C64-C90 HydrophobicContact CB-CB 3.78Å; C64-C90 WeakPolarHBondContact CB-SG 3.42Å; C64-C90 PolarHBondContact N-SG 2.65Å; C64-C90 WeakPolarHBondContact SG-CA 3.41Å; C64-C90 WeakPolarHBondContact SG-CB 3.06Å; C64-C90 CovalentContact SG-SG 2.03Å; C64-C90 PolarHBondContact SG-SG 2.79Å; L75-C90 HydrophobicContact CB-CB 4.16Å; A76-C90 WeakPolarHBondContact O-CB 3.1Å; T78-C90 WeakPolarHBondContact CA-O 3.01Å; T78-C90 PolarHBondContact N-O 3.4Å; Q79-C90 PolarHBondContact O-N 2.87Å; C90-L95 HydrophobicContact CB-CD2 4.38Å
91I94.4Very high89Confident78 Ų7867.7 Ų67.740%0.436%0.363SS..EExtended strand (participates in β ladder)trans-128123.1-179.5-56.1-179.9000108.1T89 G93 T94 M96T89-I91 HydrophobicContact CG2-CD1 4.26Å; T89-I91 HydrophobicContact CG2-CG1 3.88Å; T89-I91 PolarHBondContact O-N 3.05Å; I91-G93 PolarHBondContact O-N 2.95Å; I91-T94 PolarHBondContact N-O 3.32Å; I91-T94 PolarHBondContact O-N 3.13Å; I91-M96 HydrophobicContact CB-CG 3.96Å; I91-M96 HydrophobicContact CD1-CB 4.01Å; I91-M96 HydrophobicContact CD1-CG 4.04Å; I91-M96 HydrophobicContact CG1-CB 4.4Å; I91-M96 HydrophobicContact CG1-CG 4.26Å
92N92.9Very high88.8Confident87 Ų8768.4 Ų68.447%0.46537%0.369SS..THydrogen-bonded Turntrans55.935.4175.3-67.5-22.7000114.1I59 S60 T94I59-N92 HydrophobicContact CG2-CB 3.55Å; I59-N92 CarbonylContact O-C 3.55Å; I59-N92 VanDerWaalsContact O-CA 3.26Å; I59-N92 WeakPolarHBondContact O-CA 2.97Å; S60-N92 VanDerWaalsContact CA-OD1 3.26Å; S60-N92 WeakPolarHBondContact CA-OD1 3.38Å; N92-T94 PolarHBondContact O-N 2.9Å
93G88.9Confident88.8Confident26 Ų2663.7 Ų63.727%0.26835%0.349SS..THydrogen-bonded Turntrans74.65.3-176.600000115.2C62 I91C62-G93 PolarHBondContact O-N 3.47Å; I91-G93 PolarHBondContact O-N 2.95Å
94T89.6Confident89Confident78 Ų7863.9 Ų63.948%0.47935%0.353SS..EExtended strand (participates in β ladder)trans-119.5144.7176.9-49.60000110.6C64 I91 N92 M96C64-T94 VanDerWaalsContact SG-C 3.53Å; C64-T94 PolarHBondContact SG-N 3.05Å; C64-T94 VanDerWaalsContact SG-N 3.36Å; C64-T94 PolarHBondContact SG-O 3.34Å; C64-T94 VanDerWaalsContact SG-O 3.4Å; I91-T94 PolarHBondContact N-O 3.32Å; I91-T94 PolarHBondContact O-N 3.13Å; N92-T94 PolarHBondContact O-N 2.9Å; T94-M96 HydrophobicContact CG2-CE 3.61Å; T94-M96 PolarHBondContact O-N 3.14Å
95L91.2Very high89.3Confident41 Ų4159.5 Ų59.522%0.21533%0.329CS..EExtended strand (participates in β ladder)trans-80.5115.6173.3-65.6168.8000109.9C64 L66 L75 C90C64-L95 HydrophobicContact CB-CD2 3.77Å; C64-L95 HydrophobicContact CB-CG 4Å; L66-L95 HydrophobicContact CD2-CD1 3.41Å; L66-L95 VanDerWaalsContact CD2-CD1 3.41Å; L66-L95 HydrophobicContact CG-CD1 4.2Å; L75-L95 HydrophobicContact CD1-CD2 3.43Å; L75-L95 VanDerWaalsContact CD1-CD2 3.43Å; C90-L95 HydrophobicContact CB-CD2 4.38Å
96M91.3Very high89.5Confident100 Ų10059 Ų5949%0.49333%0.329SS..EExtended strand (participates in β ladder)trans-99.5109.7174.2-67.4-73.410100108.4C88 T89 I91 T94C88-M96 WeakPolarHBondContact CA-O 3.31Å; T89-M96 PolarHBondContact N-O 2.97Å; T89-M96 PolarHBondContact O-N 2.03Å; I91-M96 HydrophobicContact CB-CG 3.96Å; I91-M96 HydrophobicContact CD1-CB 4.01Å; I91-M96 HydrophobicContact CD1-CG 4.04Å; I91-M96 HydrophobicContact CG1-CB 4.4Å; I91-M96 HydrophobicContact CG1-CG 4.26Å; T94-M96 HydrophobicContact CG2-CE 3.61Å; T94-M96 PolarHBondContact O-N 3.14Å
97C90.6Very high89.9Confident62 Ų6262.9 Ų62.942%0.41936%0.357SS..  trans-109.6149.5176.9-52.80000109.9H86 C88H86-C97 HydrophobicContact CB-CB 4.46Å; C88-C97 HydrophobicContact CB-CB 4.12Å; C88-C97 WeakPolarHBondContact CB-SG 3.32Å; C88-C97 WeakPolarHBondContact SG-CB 3.3Å; C88-C97 CovalentContact SG-SG 2.03Å; C88-C97 PolarHBondContact SG-SG 2.84Å
98P88.1Confident90.2Very high45 Ų4563.2 Ų63.229%0.29235%0.353SS..  trans-57.4141.1168.8-19.230.6000111.1L100P98-L100 VanDerWaalsContact C-N 3.25Å; P98-L100 HydrophobicContact CB-CD1 4.16Å; P98-L100 PolarHBondContact O-N 3.36Å
99H83.8Confident90.5Very high196 Ų19665.7 Ų65.791%0.90737%0.371SS*.  trans-95.952.8174.1-167.4-90000110.2
100L83.2Confident90.6Very high62 Ų6268 Ų6833%0.32539%0.394SS..  trans-109.2155176.2-76.8153.1000108H86 P98 D134 E136H86-L100 PolarHBondContact CE1-O 2.9Å; H86-L100 PolarHBondContact NE2-O 3.2Å; P98-L100 VanDerWaalsContact C-N 3.25Å; P98-L100 HydrophobicContact CB-CD1 4.16Å; P98-L100 PolarHBondContact O-N 3.36Å; L100-D134 WeakPolarHBondContact CD2-O 3.03Å; L100-E136 HydrophobicContact CB-CG 3.95Å; L100-E136 HydrophobicContact CD1-CG 4.37Å; L100-E136 WeakPolarHBondContact CD1-OE1 3.42Å
101E85.8Confident90.7Very high110 Ų11071.4 Ų71.451%0.51441%0.407SS..BIsolated β-bridgetrans-77.2151.5170.5-72.9-171.7-179.600110.7D134 R135 E136E101-D134 PolarHBondContact N-O 2.87Å; E101-R135 HydrophobicContact CB-CG 3.93Å; E101-R135 CarbonylContact O-C 3.6Å; E101-R135 VanDerWaalsContact O-CA 3.26Å; E101-R135 WeakPolarHBondContact O-CA 3.03Å; E101-R135 IonicContact OE2-CZ 3.5Å; E101-R135 IonicContact OE2-NH1 2.7Å; E101-R135 PolarHBondContact OE2-NH1 2.89Å; E101-R135 IonicContact OE2-NH2 3.44Å; E101-R135 PolarHBondContact OE2-NH2 3.34Å; E101-E136 PolarHBondContact O-N 2.88Å
102C87.1Confident90.9Very high50 Ų5070.1 Ų70.134%0.33841%0.405SS..PPolyproline II helixtrans-62.7150.2172.2-680000111.9C85 R135C85-C102 HydrophobicContact CB-CB 3.81Å; C85-C102 WeakPolarHBondContact CB-SG 3.4Å; C85-C102 WeakPolarHBondContact SG-CA 3.04Å; C85-C102 WeakPolarHBondContact SG-CB 3.07Å; C85-C102 CovalentContact SG-SG 2.03Å; C85-C102 PolarHBondContact SG-SG 3.4Å; C102-R135 PolarHBondContact O-NH1 2.03Å; C102-R135 VanDerWaalsContact O-NH1 3.14Å
103P88.3Confident90.9Very high21 Ų2174.6 Ų74.614%0.13642%0.423CS..PPolyproline II helixtrans-62.7139.717625-32.8000110.8
104V88.4Confident91.2Very high63 Ų6374.9 Ų74.938%0.38242%0.42SS..EExtended strand (participates in β ladder)trans-89.9111.9174.1-177.90000108.3C129 E130 R135V104-C129 WeakPolarHBondContact O-CA 2.99Å; V104-E130 HydrophobicContact CB-CB 4.3Å; V104-E130 PolarHBondContact O-N 3.3Å; V104-R135 VanDerWaalsContact CG2-NH1 3.34Å
105L90.4Very high91.4Very high56 Ų5675.1 Ų75.129%0.29343%0.425SS..EExtended strand (participates in β ladder)trans-94.6127.2-177.9-65.4159.3000109.4R127 C129 D142 L143L105-R127 VanDerWaalsContact CD1-CZ 3.47Å; L105-R127 VanDerWaalsContact CD1-NH2 3.33Å; L105-C129 HydrophobicContact CD2-CB 3.94Å; L105-D142 HydrophobicContact CD1-CB 4.46Å; L105-D142 HydrophobicContact CD2-CB 4.12Å; L105-L143 HydrophobicContact CD2-CD2 4.24Å
106G91.6Very high91.3Very high20 Ų2074.6 Ų74.621%0.20643%0.426CS..EExtended strand (participates in β ladder)trans-69.6174.8175.200000112.7S128G106-S128 PolarHBondContact N-O 3.16Å
107P94.1Very high91.2Very high114 Ų11474 Ų7474%0.7443%0.428SS*.EExtended strand (participates in β ladder)trans-64.6149.617629-34.6000111R127P107-R127 WeakPolarHBondContact O-CB 3.46Å
108W95.8Very high91.1Very high76 Ų7671.9 Ų71.929%0.28841%0.414SS..EExtended strand (participates in β ladder)trans-66.5139.6171.2-74.2109000111.5R125 H126 R127 D142 Q145W108-R125 HydrophobicContact CD2-CG 4.23Å; W108-R125 HydrophobicContact CE3-CB 4.42Å; W108-R125 HydrophobicContact CE3-CG 3.64Å; W108-R125 HydrophobicContact CZ3-CG 4.09Å; W108-H126 VanDerWaalsContact CE3-C 3.49Å; W108-R127 HydrophobicContact CD2-CB 4.01Å; W108-R127 HydrophobicContact CD2-CG 4.09Å; W108-R127 HydrophobicContact CE3-CB 3.68Å; W108-R127 HydrophobicContact CE3-CG 3.8Å; W108-R127 HydrophobicContact CH2-CG 3.85Å; W108-R127 HydrophobicContact CZ2-CG 4.14Å; W108-R127 VanDerWaalsContact CZ2-CZ 3.44Å; W108-R127 VanDerWaalsContact CZ2-NE 3.3Å; W108-R127 HydrophobicContact CZ3-CB 4.02Å; W108-R127 HydrophobicContact CZ3-CG 3.68Å; W108-D142 WeakPolarHBondContact CH2-O 3.44Å; W108-Q145 HydrophobicContact CH2-CB 3.76Å; W108-Q145 HydrophobicContact CZ2-CB 4.23Å; W108-Q145 HydrophobicContact CZ3-CB 4.01Å
109S96.3Very high91Very high54 Ų5471.8 Ų71.838%0.37842%0.421SS..PPolyproline II helixtrans-63.4167165.775.80000110.9H126S109-H126 VanDerWaalsContact CB-O 3.25Å; S109-H126 WeakPolarHBondContact CB-O 3.44Å; S109-H126 PolarHBondContact N-O 2.89Å; S109-H126 PolarHBondContact OG-N 3.01Å; S109-H126 PolarHBondContact OG-O 2.03Å
110A97.1Very high91.5Very high88 Ų8869.4 Ų69.473%0.72741%0.408SS*.PPolyproline II helixtrans-57.2151.7160.900000110.2
111W97Very high92Very high73 Ų7366.5 Ų66.528%0.27739%0.394SS..PPolyproline II helixtrans-63.6143.1170.4-71.1107.7000110.5M123 R125 Q145 Q147W111-M123 HydrophobicContact CB-CE 4.41Å; W111-M123 HydrophobicContact CB-CG 4.41Å; W111-M123 HydrophobicContact CB-SD 3.66Å; W111-M123 HydrophobicContact CD2-CE 3.6Å; W111-M123 HydrophobicContact CD2-CG 4.06Å; W111-M123 HydrophobicContact CD2-SD 3.83Å; W111-M123 HydrophobicContact CE3-CB 4.19Å; W111-M123 HydrophobicContact CE3-CE 4.01Å; W111-M123 HydrophobicContact CE3-CG 3.6Å; W111-M123 HydrophobicContact CE3-SD 4.03Å; W111-M123 HydrophobicContact CG-CE 3.78Å; W111-M123 HydrophobicContact CG-CG 4.42Å; W111-M123 HydrophobicContact CG-SD 3.68Å; W111-M123 HydrophobicContact CZ2-CE 4.29Å; W111-M123 HydrophobicContact CZ3-CG 4.14Å; W111-R125 HydrophobicContact CD2-CB 3.95Å; W111-R125 HydrophobicContact CD2-CG 3.94Å; W111-R125 VanDerWaalsContact CE2-CD 3.44Å; W111-R125 HydrophobicContact CE3-CB 3.66Å; W111-R125 HydrophobicContact CE3-CG 3.67Å; W111-R125 HydrophobicContact CH2-CG 3.7Å; W111-R125 VanDerWaalsContact CZ2-CD 3.48Å; W111-R125 HydrophobicContact CZ2-CG 3.96Å; W111-R125 VanDerWaalsContact CZ2-NE 3.28Å; W111-R125 HydrophobicContact CZ3-CB 4.03Å; W111-R125 HydrophobicContact CZ3-CG 3.56Å; W111-Q145 HydrophobicContact CH2-CB 4.16Å; W111-Q145 HydrophobicContact CH2-CG 3.95Å; W111-Q145 VanDerWaalsContact CZ3-O 3.31Å; W111-Q145 WeakPolarHBondContact CZ3-O 3.46Å; W111-Q147 HydrophobicContact CH2-CB 3.52Å; W111-Q147 HydrophobicContact CZ2-CB 4.02Å; W111-Q147 HydrophobicContact CZ3-CB 3.79Å
112S96.9Very high92.5Very high51 Ų5164.2 Ų64.236%0.35739%0.387SS..PPolyproline II helixtrans-61.5165.316874.10000110.6V124S112-V124 VanDerWaalsContact CB-O 3.31Å; S112-V124 WeakPolarHBondContact CB-O 3.3Å; S112-V124 PolarHBondContact N-O 3.33Å; S112-V124 PolarHBondContact OG-N 3.2Å; S112-V124 PolarHBondContact OG-O 2.84Å
113E94.6Very high93Very high180 Ų18063.2 Ų63.284%0.84138%0.378SS*.PPolyproline II helixtrans-57.9150162.3-62.9-168.4157.600110.3
114C94.8Very high93.4Very high33 Ų3363.3 Ų63.322%0.22338%0.378CS..PPolyproline II helixtrans-69.2135.2178.6-167.80000109.8A116 C149 N150C114-A116 PolarHBondContact O-N 2.01Å; C114-A116 VanDerWaalsContact O-N 3.11Å; C114-A116 PolarHBondContact SG-O 2.82Å; C114-C149 VanDerWaalsContact CA-SG 3.51Å; C114-C149 HydrophobicContact CB-CB 3.92Å; C114-C149 WeakPolarHBondContact CB-SG 2.98Å; C114-C149 WeakPolarHBondContact SG-CB 3.44Å; C114-C149 CovalentContact SG-SG 2.01Å; C114-C149 PolarHBondContact SG-SG 3.1Å; C114-N150 VanDerWaalsContact CB-ND2 3.33Å; C114-N150 WeakPolarHBondContact CB-ND2 3.25Å; C114-N150 PolarHBondContact SG-ND2 2.03Å
115S93.7Very high93.8Very high83 Ų8362.9 Ų62.958%0.5837%0.37SS*.SBendtrans-62-20.2179.9630000114.2G121 T122S115-G121 WeakPolarHBondContact OG-CA 3.45Å; S115-T122 WeakPolarHBondContact CB-O 3.34Å; S115-T122 PolarHBondContact N-O 3.11Å; S115-T122 PolarHBondContact OG-N 3.5Å; S115-T122 PolarHBondContact OG-O 3.46Å; S115-T122 PolarHBondContact OG-OG1 2.91Å; S115-T122 VanDerWaalsContact OG-OG1 3.13Å
116A89.5Confident94.1Very high29 Ų2964.5 Ų64.524%0.2438%0.375CS..  trans-137.2142.5175.300000110.6C114 C118 N150C114-A116 PolarHBondContact O-N 2.01Å; C114-A116 VanDerWaalsContact O-N 3.11Å; C114-A116 PolarHBondContact SG-O 2.82Å; A116-C118 VanDerWaalsContact C-N 3.3Å; A116-C118 VanDerWaalsContact CB-O 3.3Å; A116-C118 WeakPolarHBondContact CB-O 3.31Å; A116-N150 WeakPolarHBondContact O-CB 3.06Å; A116-N150 PolarHBondContact O-ND2 3.48Å
117V87.5Confident94.2Very high88 Ų8866.1 Ų66.153%0.53338%0.375SS..SBendtrans-76.6-19.2176.4-66.80000113.1T165V117-T165 HydrophobicContact CB-CG2 4.44Å; V117-T165 HydrophobicContact CG1-CG2 3.69Å; V117-T165 HydrophobicContact CG2-CG2 3.87Å
118C88.6Confident94.1Very high18 Ų1864.4 Ų64.412%0.12237%0.366CS..SBendtrans-157.1169.3175.857.10000108.5A116 N150 C154A116-C118 VanDerWaalsContact C-N 3.3Å; A116-C118 VanDerWaalsContact CB-O 3.3Å; A116-C118 WeakPolarHBondContact CB-O 3.31Å; C118-N150 CarbonylContact C-O 3.53Å; C118-C154 HydrophobicContact CB-CB 4Å; C118-C154 WeakPolarHBondContact CB-SG 3.41Å; C118-C154 PolarHBondContact O-SG 2.83Å; C118-C154 VanDerWaalsContact O-SG 3.38Å; C118-C154 WeakPolarHBondContact SG-CA 3.26Å; C118-C154 WeakPolarHBondContact SG-CB 3.44Å; C118-C154 CovalentContact SG-SG 2.03Å; C118-C154 PolarHBondContact SG-SG 3.19Å
119G87.1Confident93.9Very high43 Ų4362.2 Ų62.244%0.44336%0.362SS..SBendtrans7735.7170.700000114.4N150 Q152 C154G119-N150 PolarHBondContact N-O 3.36Å; G119-Q152 PolarHBondContact N-O 2.88Å; G119-C154 PolarHBondContact N-SG 3.31Å
120K93.4Very high93.4Very high145 Ų14565.3 Ų65.363%0.6337%0.37SS*.SBendtrans63.984.9-179.1-55.4-173.9176.7-173.60113.2N150 L151K120-N150 PolarHBondContact N-O 2.91Å; K120-L151 HydrophobicContact CB-CD2 4.32Å; K120-L151 HydrophobicContact CD-CD2 4.48Å; K120-L151 HydrophobicContact CG-CD2 3.85Å
121G94.2Very high92.6Very high2 Ų269 Ų692%0.02137%0.373CS..EExtended strand (participates in β ladder)trans-89.1178.916600000112.5S115 E148 C149S115-G121 WeakPolarHBondContact OG-CA 3.45Å; G121-E148 WeakPolarHBondContact O-CA 3.45Å; G121-C149 CarbonylContact C-O 3.6Å; G121-C149 VanDerWaalsContact C-SG 3.54Å; G121-C149 PolarHBondContact N-O 3.28Å; G121-C149 PolarHBondContact O-N 3.22Å
122T96.6Very high91.9Very high61 Ų6169.7 Ų69.737%0.37438%0.379SS..EExtended strand (participates in β ladder)trans-132.3138.6175.951.10000109.2S115 Q147S115-T122 WeakPolarHBondContact CB-O 3.34Å; S115-T122 PolarHBondContact N-O 3.11Å; S115-T122 PolarHBondContact OG-N 3.5Å; S115-T122 PolarHBondContact OG-O 3.46Å; S115-T122 PolarHBondContact OG-OG1 2.91Å; S115-T122 VanDerWaalsContact OG-OG1 3.13Å; T122-Q147 WeakPolarHBondContact CA-O 3.01Å
123M96.8Very high91.1Very high30 Ų3072.8 Ų72.815%0.14840%0.397CS..EExtended strand (participates in β ladder)trans-114.7151.6169.359.5-179.9-172.200109.6W111 W146 Q147 C149W111-M123 HydrophobicContact CB-CE 4.41Å; W111-M123 HydrophobicContact CB-CG 4.41Å; W111-M123 HydrophobicContact CB-SD 3.66Å; W111-M123 HydrophobicContact CD2-CE 3.6Å; W111-M123 HydrophobicContact CD2-CG 4.06Å; W111-M123 HydrophobicContact CD2-SD 3.83Å; W111-M123 HydrophobicContact CE3-CB 4.19Å; W111-M123 HydrophobicContact CE3-CE 4.01Å; W111-M123 HydrophobicContact CE3-CG 3.6Å; W111-M123 HydrophobicContact CE3-SD 4.03Å; W111-M123 HydrophobicContact CG-CE 3.78Å; W111-M123 HydrophobicContact CG-CG 4.42Å; W111-M123 HydrophobicContact CG-SD 3.68Å; W111-M123 HydrophobicContact CZ2-CE 4.29Å; W111-M123 HydrophobicContact CZ3-CG 4.14Å; M123-W146 WeakPolarHBondContact O-CA 3.43Å; M123-Q147 HydrophobicContact CE-CB 3.71Å; M123-Q147 HydrophobicContact CE-CG 3.71Å; M123-Q147 HydrophobicContact CG-CB 4.14Å; M123-Q147 WeakPolarHBondContact CG-O 3.06Å; M123-Q147 PolarHBondContact N-O 3.44Å; M123-Q147 PolarHBondContact O-N 3.29Å; M123-C149 HydrophobicContact CG-CB 4.34Å; M123-C149 PolarHBondContact N-SG 3.5Å; M123-C149 VanDerWaalsContact N-SG 3.43Å; M123-C149 HydrophobicContact SD-CB 4.38Å
124V96.9Very high90.6Very high22 Ų2269.1 Ų69.113%0.13338%0.384CS..EExtended strand (participates in β ladder)trans-125143.3-178.467.50000109.9S112 Q144 Q145 W146S112-V124 VanDerWaalsContact CB-O 3.31Å; S112-V124 WeakPolarHBondContact CB-O 3.3Å; S112-V124 PolarHBondContact N-O 3.33Å; S112-V124 PolarHBondContact OG-N 3.2Å; S112-V124 PolarHBondContact OG-O 2.84Å; V124-Q144 HydrophobicContact CG2-CG 3.44Å; V124-Q144 VanDerWaalsContact CG2-CG 3.44Å; V124-Q145 WeakPolarHBondContact CA-O 2.99Å; V124-W146 HydrophobicContact CB-CD2 4.25Å; V124-W146 HydrophobicContact CB-CE3 3.87Å; V124-W146 HydrophobicContact CB-CH2 4.17Å; V124-W146 HydrophobicContact CB-CZ3 3.83Å; V124-W146 HydrophobicContact CG2-CD2 4.02Å; V124-W146 HydrophobicContact CG2-CE3 4.13Å; V124-W146 HydrophobicContact CG2-CH2 4.1Å; V124-W146 HydrophobicContact CG2-CZ2 3.98Å; V124-W146 HydrophobicContact CG2-CZ3 4.17Å
125R97Very high90.1Very high55 Ų5570.5 Ų70.521%0.20838%0.384CS..EExtended strand (participates in β ladder)trans-131.1156.4167.766.8178-178.51740.6110.3W108 W111 Q144 Q145W108-R125 HydrophobicContact CD2-CG 4.23Å; W108-R125 HydrophobicContact CE3-CB 4.42Å; W108-R125 HydrophobicContact CE3-CG 3.64Å; W108-R125 HydrophobicContact CZ3-CG 4.09Å; W111-R125 HydrophobicContact CD2-CB 3.95Å; W111-R125 HydrophobicContact CD2-CG 3.94Å; W111-R125 VanDerWaalsContact CE2-CD 3.44Å; W111-R125 HydrophobicContact CE3-CB 3.66Å; W111-R125 HydrophobicContact CE3-CG 3.67Å; W111-R125 HydrophobicContact CH2-CG 3.7Å; W111-R125 VanDerWaalsContact CZ2-CD 3.48Å; W111-R125 HydrophobicContact CZ2-CG 3.96Å; W111-R125 VanDerWaalsContact CZ2-NE 3.28Å; W111-R125 HydrophobicContact CZ3-CB 4.03Å; W111-R125 HydrophobicContact CZ3-CG 3.56Å; R125-Q144 WeakPolarHBondContact O-CA 3.36Å; R125-Q145 HydrophobicContact CG-CB 4.02Å; R125-Q145 PolarHBondContact N-O 2.01Å; R125-Q145 PolarHBondContact O-N 3.32Å
126H95.8Very high89.6Confident90 Ų9068.3 Ų68.342%0.41737%0.365SS..EExtended strand (participates in β ladder)trans-125.5155.5-176.4-57.489.7000110.3W108 S109 L143 Q144W108-H126 VanDerWaalsContact CE3-C 3.49Å; S109-H126 VanDerWaalsContact CB-O 3.25Å; S109-H126 WeakPolarHBondContact CB-O 3.44Å; S109-H126 PolarHBondContact N-O 2.89Å; S109-H126 PolarHBondContact OG-N 3.01Å; S109-H126 PolarHBondContact OG-O 2.03Å; H126-L143 CarbonylContact C-O 3.58Å; H126-L143 VanDerWaalsContact CA-O 3.28Å; H126-L143 WeakPolarHBondContact CA-O 3.26Å; H126-Q144 PolarHBondContact NE2-NE2 3.41Å
127R95Very high89.3Confident54 Ų5471.3 Ų71.320%0.20438%0.382CS..EExtended strand (participates in β ladder)trans-136157.9167.563.9179.2171.6-175.2-4.1110.5L105 P107 W108 D142 L143L105-R127 VanDerWaalsContact CD1-CZ 3.47Å; L105-R127 VanDerWaalsContact CD1-NH2 3.33Å; P107-R127 WeakPolarHBondContact O-CB 3.46Å; W108-R127 HydrophobicContact CD2-CB 4.01Å; W108-R127 HydrophobicContact CD2-CG 4.09Å; W108-R127 HydrophobicContact CE3-CB 3.68Å; W108-R127 HydrophobicContact CE3-CG 3.8Å; W108-R127 HydrophobicContact CH2-CG 3.85Å; W108-R127 HydrophobicContact CZ2-CG 4.14Å; W108-R127 VanDerWaalsContact CZ2-CZ 3.44Å; W108-R127 VanDerWaalsContact CZ2-NE 3.3Å; W108-R127 HydrophobicContact CZ3-CB 4.02Å; W108-R127 HydrophobicContact CZ3-CG 3.68Å; R127-D142 PolarHBondContact NE-O 3.29Å; R127-D142 PolarHBondContact NH2-O 2.88Å; R127-D142 IonicContact NH2-OD1 3.68Å; R127-L143 PolarHBondContact N-O 3.06Å
128S91.6Very high89.2Confident78 Ų7868.2 Ų68.255%0.54536%0.364SS..EExtended strand (participates in β ladder)trans-82163.517255.10000111.1G106G106-S128 PolarHBondContact N-O 3.16Å
129C90.7Very high89Confident29 Ų2971 Ų7120%0.19638%0.375CS..EExtended strand (participates in β ladder)trans-139.1140.4170.1-174.20000108.9V104 L105 C138 L143V104-C129 WeakPolarHBondContact O-CA 2.99Å; L105-C129 HydrophobicContact CD2-CB 3.94Å; C129-C138 HydrophobicContact CB-CB 3.59Å; C129-C138 WeakPolarHBondContact CB-SG 3.26Å; C129-C138 WeakPolarHBondContact SG-CB 3.21Å; C129-C138 CovalentContact SG-SG 2.01Å; C129-C138 PolarHBondContact SG-SG 2.98Å; C129-L143 HydrophobicContact CB-CD2 3.47Å; C129-L143 VanDerWaalsContact CB-CD2 3.47Å
130E85.8Confident88.9Confident120 Ų12072.8 Ų72.856%0.56139%0.385SS*.EExtended strand (participates in β ladder)trans-90.1109.6179-168.2176174.200109.3V104V104-E130 HydrophobicContact CB-CB 4.3Å; V104-E130 PolarHBondContact O-N 3.3Å
131E80.8Confident88.5Confident166 Ų16673 Ų7378%0.77639%0.393SS*.  trans-79.2130.5176-67.4-173.4168.300110.3
132H82.1Confident88.1Confident87 Ų8775.3 Ų75.340%0.40341%0.405SS..  trans-140.3143.1174.3-158.6-86.5000108.9D134 R135H132-D134 IonicContact CE1-OD2 3.28Å; H132-D134 PolarHBondContact CE1-OD2 2.94Å; H132-D134 PolarHBondContact ND1-N 2.83Å; H132-D134 IonicContact ND1-OD2 2.81Å; H132-D134 PolarHBondContact ND1-OD2 3.33Å; H132-D134 PolarHBondContact O-N 2.9Å; H132-D134 VanDerWaalsContact O-N 3.1Å; H132-R135 HydrophobicContact CB-CB 4.19Å; H132-R135 HydrophobicContact CB-CG 3.9Å; H132-R135 PolarHBondContact O-N 3.43Å
133P81.8Confident87.8Confident115 Ų11574.9 Ų74.975%0.74740%0.4SS*.THydrogen-bonded Turntrans-58.5-24179.719.7-32.9000114.6
134D83.4Confident87.8Confident103 Ų10377.1 Ų77.155%0.55141%0.41SS*.THydrogen-bonded Turntrans-94.65.3179.3-53.3-56.6000113.5L100 E101 H132L100-D134 WeakPolarHBondContact CD2-O 3.03Å; E101-D134 PolarHBondContact N-O 2.87Å; H132-D134 IonicContact CE1-OD2 3.28Å; H132-D134 PolarHBondContact CE1-OD2 2.94Å; H132-D134 PolarHBondContact ND1-N 2.83Å; H132-D134 IonicContact ND1-OD2 2.81Å; H132-D134 PolarHBondContact ND1-OD2 3.33Å; H132-D134 PolarHBondContact O-N 2.9Å; H132-D134 VanDerWaalsContact O-N 3.1Å
135R83.4Confident87.7Confident62 Ų6279.7 Ų79.723%0.23442%0.421CS..BIsolated β-bridgetrans-112.8150.8179.8-69.5178.3-168.6-64.9-16.5111E101 C102 V104 H132E101-R135 HydrophobicContact CB-CG 3.93Å; E101-R135 CarbonylContact O-C 3.6Å; E101-R135 VanDerWaalsContact O-CA 3.26Å; E101-R135 WeakPolarHBondContact O-CA 3.03Å; E101-R135 IonicContact OE2-CZ 3.5Å; E101-R135 IonicContact OE2-NH1 2.7Å; E101-R135 PolarHBondContact OE2-NH1 2.89Å; E101-R135 IonicContact OE2-NH2 3.44Å; E101-R135 PolarHBondContact OE2-NH2 3.34Å; C102-R135 PolarHBondContact O-NH1 2.03Å; C102-R135 VanDerWaalsContact O-NH1 3.14Å; V104-R135 VanDerWaalsContact CG2-NH1 3.34Å; H132-R135 HydrophobicContact CB-CB 4.19Å; H132-R135 HydrophobicContact CB-CG 3.9Å; H132-R135 PolarHBondContact O-N 3.43Å
136E84.4Confident87.6Confident37 Ų3784.1 Ų84.117%0.17344%0.437CS..PPolyproline II helixtrans-59.6142167.6-83.2-71.6139.800110.4L100 E101L100-E136 HydrophobicContact CB-CG 3.95Å; L100-E136 HydrophobicContact CD1-CG 4.37Å; L100-E136 WeakPolarHBondContact CD1-OE1 3.42Å; E101-E136 PolarHBondContact O-N 2.88Å
137P83.4Confident87.7Confident92 Ų9284.5 Ų84.560%0.59744%0.439SS*.PPolyproline II helixtrans-64.2142.8177.927.3-34.4000110.9Q139P137-Q139 PolarHBondContact O-N 3.01Å
138C85.3Confident87.7Confident24 Ų2487.7 Ų87.716%0.16246%0.457CS..PPolyproline II helixtrans-67.5125.1178.6-44.10000109.7C129 L143C129-C138 HydrophobicContact CB-CB 3.59Å; C129-C138 WeakPolarHBondContact CB-SG 3.26Å; C129-C138 WeakPolarHBondContact SG-CB 3.21Å; C129-C138 CovalentContact SG-SG 2.01Å; C129-C138 PolarHBondContact SG-SG 2.98Å; C138-L143 HydrophobicContact CB-CD1 4.47Å; C138-L143 HydrophobicContact CB-CD2 4.24Å
139Q84.4Confident87.9Confident76 Ų7684.8 Ų84.836%0.35544%0.436SS..PPolyproline II helixtrans-76.4141.2175.7-58.2-168.6-26.800109.8P137 L141 D142 L143P137-Q139 PolarHBondContact O-N 3.01Å; Q139-L141 PolarHBondContact O-N 2.03Å; Q139-L141 VanDerWaalsContact O-N 3.17Å; Q139-D142 WeakPolarHBondContact O-CA 3.38Å; Q139-D142 WeakPolarHBondContact O-CB 3.26Å; Q139-D142 PolarHBondContact O-N 2.86Å; Q139-L143 PolarHBondContact O-N 3.2Å
140A84.1Confident88Confident80 Ų8086.7 Ų86.766%0.66144%0.444SS*.Hα-helixtrans-57.5-33.5177.300000112.4D142 L143A140-D142 PolarHBondContact O-N 3.2Å; A140-L143 PolarHBondContact O-N 3.45Å; A140-L143 VanDerWaalsContact O-N 3.1Å
141L84.2Confident88.3Confident150 Ų15085.6 Ų85.679%0.78544%0.442SS*.Hα-helixtrans-61.8-28.9174.4-77147.5000112.9Q139Q139-L141 PolarHBondContact O-N 2.03Å; Q139-L141 VanDerWaalsContact O-N 3.17Å
142D85.6Confident88.9Confident51 Ų5184.9 Ų84.927%0.27344%0.438SS..Hα-helixtrans-80-22176.1-71.7-47.7000112L105 W108 R127 Q139 A140L105-D142 HydrophobicContact CD1-CB 4.46Å; L105-D142 HydrophobicContact CD2-CB 4.12Å; W108-D142 WeakPolarHBondContact CH2-O 3.44Å; R127-D142 PolarHBondContact NE-O 3.29Å; R127-D142 PolarHBondContact NH2-O 2.88Å; R127-D142 IonicContact NH2-OD1 3.68Å; Q139-D142 WeakPolarHBondContact O-CA 3.38Å; Q139-D142 WeakPolarHBondContact O-CB 3.26Å; Q139-D142 PolarHBondContact O-N 2.86Å; A140-D142 PolarHBondContact O-N 3.2Å
143L92.2Very high89.2Confident52 Ų5285 Ų8527%0.27245%0.454SS..Hα-helixtrans-88.9-16.9-173.7-59.1179.1000113.8L105 H126 R127 C129 C138 Q139 A140L105-L143 HydrophobicContact CD2-CD2 4.24Å; H126-L143 CarbonylContact C-O 3.58Å; H126-L143 VanDerWaalsContact CA-O 3.28Å; H126-L143 WeakPolarHBondContact CA-O 3.26Å; R127-L143 PolarHBondContact N-O 3.06Å; C129-L143 HydrophobicContact CB-CD2 3.47Å; C129-L143 VanDerWaalsContact CB-CD2 3.47Å; C138-L143 HydrophobicContact CB-CD1 4.47Å; C138-L143 HydrophobicContact CB-CD2 4.24Å; Q139-L143 PolarHBondContact O-N 3.2Å; A140-L143 PolarHBondContact O-N 3.45Å; A140-L143 VanDerWaalsContact O-N 3.1Å
144Q94.9Very high89.5Confident76 Ų7681.8 Ų81.836%0.35543%0.434SS..EExtended strand (participates in β ladder)trans-133.6132.5-174.7-174178.87200110.9V124 R125 H126 W146V124-Q144 HydrophobicContact CG2-CG 3.44Å; V124-Q144 VanDerWaalsContact CG2-CG 3.44Å; R125-Q144 WeakPolarHBondContact O-CA 3.36Å; H126-Q144 PolarHBondContact NE2-NE2 3.41Å; Q144-W146 HydrophobicContact CG-CZ2 4.47Å; Q144-W146 VanDerWaalsContact OE1-CZ2 3.29Å
145Q95.8Very high89.7Confident77 Ų7781.3 Ų81.336%0.3644%0.437SS..EExtended strand (participates in β ladder)trans-124.6140.5174.5-166.1-17827.600111.1W108 W111 V124 R125W108-Q145 HydrophobicContact CH2-CB 3.76Å; W108-Q145 HydrophobicContact CZ2-CB 4.23Å; W108-Q145 HydrophobicContact CZ3-CB 4.01Å; W111-Q145 HydrophobicContact CH2-CB 4.16Å; W111-Q145 HydrophobicContact CH2-CG 3.95Å; W111-Q145 VanDerWaalsContact CZ3-O 3.31Å; W111-Q145 WeakPolarHBondContact CZ3-O 3.46Å; V124-Q145 WeakPolarHBondContact CA-O 2.99Å; R125-Q145 HydrophobicContact CG-CB 4.02Å; R125-Q145 PolarHBondContact N-O 2.01Å; R125-Q145 PolarHBondContact O-N 3.32Å
146W95.9Very high89.9Confident148 Ų14887.6 Ų87.656%0.56147%0.469SS*.EExtended strand (participates in β ladder)trans-111.4144176.8-59.686.6000110.4M123 V124 Q144M123-W146 WeakPolarHBondContact O-CA 3.43Å; V124-W146 HydrophobicContact CB-CD2 4.25Å; V124-W146 HydrophobicContact CB-CE3 3.87Å; V124-W146 HydrophobicContact CB-CH2 4.17Å; V124-W146 HydrophobicContact CB-CZ3 3.83Å; V124-W146 HydrophobicContact CG2-CD2 4.02Å; V124-W146 HydrophobicContact CG2-CE3 4.13Å; V124-W146 HydrophobicContact CG2-CH2 4.1Å; V124-W146 HydrophobicContact CG2-CZ2 3.98Å; V124-W146 HydrophobicContact CG2-CZ3 4.17Å; Q144-W146 HydrophobicContact CG-CZ2 4.47Å; Q144-W146 VanDerWaalsContact OE1-CZ2 3.29Å
147Q96.4Very high89.8Confident97 Ų9788.4 Ų88.445%0.45348%0.478SS..EExtended strand (participates in β ladder)trans-142.8140.7172.6-175.6174.9-10.600110.1W111 T122 M123W111-Q147 HydrophobicContact CH2-CB 3.52Å; W111-Q147 HydrophobicContact CZ2-CB 4.02Å; W111-Q147 HydrophobicContact CZ3-CB 3.79Å; T122-Q147 WeakPolarHBondContact CA-O 3.01Å; M123-Q147 HydrophobicContact CE-CB 3.71Å; M123-Q147 HydrophobicContact CE-CG 3.71Å; M123-Q147 HydrophobicContact CG-CB 4.14Å; M123-Q147 WeakPolarHBondContact CG-O 3.06Å; M123-Q147 PolarHBondContact N-O 3.44Å; M123-Q147 PolarHBondContact O-N 3.29Å
148E96.4Very high90Very high122 Ų12287.2 Ų87.257%0.5747%0.47SS*.EExtended strand (participates in β ladder)trans-70.1142.9172.4-61.1-171.8158.600111G121 L151G121-E148 WeakPolarHBondContact O-CA 3.45Å; E148-L151 HydrophobicContact CB-CD2 3.99Å
149C95.2Very high90.2Very high16 Ų1692.6 Ų92.611%0.10851%0.505CS..EExtended strand (participates in β ladder)trans-142.1161.4178.949.40000110.4C114 G121 M123 L151C114-C149 VanDerWaalsContact CA-SG 3.51Å; C114-C149 HydrophobicContact CB-CB 3.92Å; C114-C149 WeakPolarHBondContact CB-SG 2.98Å; C114-C149 WeakPolarHBondContact SG-CB 3.44Å; C114-C149 CovalentContact SG-SG 2.01Å; C114-C149 PolarHBondContact SG-SG 3.1Å; G121-C149 CarbonylContact C-O 3.6Å; G121-C149 VanDerWaalsContact C-SG 3.54Å; G121-C149 PolarHBondContact N-O 3.28Å; G121-C149 PolarHBondContact O-N 3.22Å; M123-C149 HydrophobicContact CG-CB 4.34Å; M123-C149 PolarHBondContact N-SG 3.5Å; M123-C149 VanDerWaalsContact N-SG 3.43Å; M123-C149 HydrophobicContact SD-CB 4.38Å; C149-L151 PolarHBondContact O-N 2.94Å
150N91.9Very high90.1Very high70 Ų7093.2 Ų93.237%0.37453%0.532SS..  trans51.353.4176.4-60.9-22.1000114C114 A116 C118 G119 K120 Q152C114-N150 VanDerWaalsContact CB-ND2 3.33Å; C114-N150 WeakPolarHBondContact CB-ND2 3.25Å; C114-N150 PolarHBondContact SG-ND2 2.03Å; A116-N150 WeakPolarHBondContact O-CB 3.06Å; A116-N150 PolarHBondContact O-ND2 3.48Å; C118-N150 CarbonylContact C-O 3.53Å; G119-N150 PolarHBondContact N-O 3.36Å; K120-N150 PolarHBondContact N-O 2.91Å; N150-Q152 PolarHBondContact O-N 3.36Å; N150-Q152 VanDerWaalsContact O-N 3.16Å
151L93.4Very high90.1Very high96 Ų9695.5 Ų95.550%0.50353%0.529SS..  trans-68.8-7.1-179.4-58.1179.4000114.3K120 E148 C149K120-L151 HydrophobicContact CB-CD2 4.32Å; K120-L151 HydrophobicContact CD-CD2 4.48Å; K120-L151 HydrophobicContact CG-CD2 3.85Å; E148-L151 HydrophobicContact CB-CD2 3.99Å; C149-L151 PolarHBondContact O-N 2.94Å
152Q91.6Very high90.1Very high151 Ų15194.3 Ų94.371%0.70653%0.528SS*.SBendtrans-68.1140.7-180-59.1-54.9-47.300110.5G119 N150G119-Q152 PolarHBondContact N-O 2.88Å; N150-Q152 PolarHBondContact O-N 3.36Å; N150-Q152 VanDerWaalsContact O-N 3.16Å
153A89.6Confident89.8Confident90 Ų9096.1 Ų96.174%0.74454%0.537SS*.PPolyproline II helixtrans-60.2142.7176.200000110.8
154C87.6Confident89.4Confident48 Ų4896 Ų9632%0.32454%0.541SS..PPolyproline II helixtrans-72.6147.9172-68.20000110.8C118 G119 L163C118-C154 HydrophobicContact CB-CB 4Å; C118-C154 WeakPolarHBondContact CB-SG 3.41Å; C118-C154 PolarHBondContact O-SG 2.83Å; C118-C154 VanDerWaalsContact O-SG 3.38Å; C118-C154 WeakPolarHBondContact SG-CA 3.26Å; C118-C154 WeakPolarHBondContact SG-CB 3.44Å; C118-C154 CovalentContact SG-SG 2.03Å; C118-C154 PolarHBondContact SG-SG 3.19Å; G119-C154 PolarHBondContact N-SG 3.31Å; C154-L163 HydrophobicContact CB-CD2 3.84Å; C154-L163 WeakPolarHBondContact SG-CD2 3.48Å
155P87.4Confident88.6Confident92 Ų9297.9 Ų97.960%0.59756%0.557SS**PPolyproline II helixtrans-62.8145.3171.627.2-33.3000110.7L163P155-L163 HydrophobicContact CG-CD1 4.02Å
156E87.3Confident87.8Confident194 Ų19497 Ų9791%0.90756%0.559SS**PPolyproline II helixtrans-72.7127.9174.3-68.6-175.7154.600110.3
157C83.9Confident86.9Confident54 Ų5493.1 Ų93.137%0.36556%0.558SS.*PPolyproline II helixtrans-84.9140.5174.4-68.50000110.8Q161 L163C157-Q161 HydrophobicContact CB-CB 4.06Å; C157-L163 PolarHBondContact SG-N 2.91Å
158P87.6Confident85.8Confident67 Ų6794.3 Ų94.344%0.43557%0.573SS.*PPolyproline II helixtrans-58.4162.9170-21.531.5000112.8G160 Q161P158-G160 PolarHBondContact O-N 3.25Å; P158-Q161 PolarHBondContact O-N 2.8Å; P158-Q161 VanDerWaalsContact O-N 3.08Å
159P88.1Confident84.9Confident137 Ų13795.3 Ų95.389%0.8958%0.579SS**THydrogen-bonded Turntrans-56.3127.5179.4-2131.6000111.9
160G84.2Confident84Confident90 Ų9099.6 Ų99.693%0.92861%0.608SS**THydrogen-bonded Turntrans86.70.918000000115.4P158P158-G160 PolarHBondContact O-N 3.25Å
161Q83.8Confident83.6Confident127 Ų12799.9 Ų99.959%0.59361%0.614SS**  trans-103.3152171.8-63.3-175.324.200111.3C157 P158C157-Q161 HydrophobicContact CB-CB 4.06Å; P158-Q161 PolarHBondContact O-N 2.8Å; P158-Q161 VanDerWaalsContact O-N 3.08Å
162V82.6Confident82.9Confident126 Ų12698 Ų9876%0.76461%0.609SS**  trans-120.9141.7174.5-63.70000109.5S164V162-S164 PolarHBondContact O-N 2.88Å
163L81.1Confident82.5Confident88 Ų8895.7 Ų95.746%0.46160%0.6SS.*  trans-63.7123.6173.6-174.778.8000108.8C154 P155 C157C154-L163 HydrophobicContact CB-CD2 3.84Å; C154-L163 WeakPolarHBondContact SG-CD2 3.48Å; P155-L163 HydrophobicContact CG-CD1 4.02Å; C157-L163 PolarHBondContact SG-N 2.91Å
164S83.2Confident82.3Confident51 Ų5196 Ų9636%0.35760%0.596SS.*  trans-131.7141.1177.5177.20000110.1V162 C166V162-S164 PolarHBondContact O-N 2.88Å; S164-C166 PolarHBondContact O-N 2.84Å; S164-C166 PolarHBondContact OG-N 2.8Å; S164-C166 PolarHBondContact OG-SG 3.49Å
165T77.9Confident82.3Confident115 Ų11596.4 Ų96.471%0.70660%0.599SS**THydrogen-bonded Turntrans-71.7-13.717555.20000112.7V117V117-T165 HydrophobicContact CB-CG2 4.44Å; V117-T165 HydrophobicContact CG1-CG2 3.69Å; V117-T165 HydrophobicContact CG2-CG2 3.87Å
166C78.8Confident82.2Confident57 Ų5796.4 Ų96.439%0.38559%0.591SS.*THydrogen-bonded Turntrans-122.428.5-179.759.20000112.6S164 T168 M169S164-C166 PolarHBondContact O-N 2.84Å; S164-C166 PolarHBondContact OG-N 2.8Å; S164-C166 PolarHBondContact OG-SG 3.49Å; C166-T168 PolarHBondContact O-N 2.93Å; C166-M169 HydrophobicContact CB-CB 4.07Å; C166-M169 HydrophobicContact CB-CG 3.76Å; C166-M169 HydrophobicContact CB-SD 3.39Å; C166-M169 WeakPolarHBondContact CB-SD 3.35Å; C166-M169 WeakPolarHBondContact O-CB 3.43Å; C166-M169 PolarHBondContact O-N 2.81Å
167A76.8Confident82.1Confident67 Ų6793 Ų9355%0.55458%0.579SS**THydrogen-bonded Turntrans-56.4-21.1-17700000114.3S172A167-S172 WeakPolarHBondContact O-CB 3.47Å
168T74.1Confident82.1Confident123 Ų12399.3 Ų99.376%0.75560%0.595SS**THydrogen-bonded Turntrans-97.9-0175.533.90000114.3C166 C170C166-T168 PolarHBondContact O-N 2.93Å; T168-C170 PolarHBondContact O-N 2.65Å
169M76.1Confident81.5Confident143 Ų143105.6 Ų105.670%0.70464%0.636SS**SBendtrans-74.6121.7172.9-70.3-178.364.300109.4C166C166-M169 HydrophobicContact CB-CB 4.07Å; C166-M169 HydrophobicContact CB-CG 3.76Å; C166-M169 HydrophobicContact CB-SD 3.39Å; C166-M169 WeakPolarHBondContact CB-SD 3.35Å; C166-M169 WeakPolarHBondContact O-CB 3.43Å; C166-M169 PolarHBondContact O-N 2.81Å
170C77.9Confident81.1Confident106 Ų106104.1 Ų104.172%0.71662%0.623SS**SBendtrans-63.3150.7-168.6-65.30000113.5T168T168-C170 PolarHBondContact O-N 2.65Å
171P83.1Confident81Confident76 Ų76104.8 Ų104.849%0.49461%0.607SS.*PPolyproline II helixcis-88.9116.9-4.428.3-25.1000112.7H176 L177P171-H176 HydrophobicContact CB-CB 3.45Å; P171-H176 VanDerWaalsContact CB-CB 3.45Å; P171-L177 HydrophobicContact CB-CD2 3.96Å; P171-L177 HydrophobicContact CB-CG 4.26Å; P171-L177 HydrophobicContact CG-CD2 3.49Å; P171-L177 VanDerWaalsContact CG-CD2 3.49Å; P171-L177 HydrophobicContact CG-CG 4.24Å
172S79.2Confident80.8Confident57 Ų57103.6 Ų103.640%0.39961%0.608SS.*  trans-87.3-11.8178.652.10000115.5A167 H176A167-S172 WeakPolarHBondContact O-CB 3.47Å; S172-H176 PolarHBondContact N-ND1 3.2Å; S172-H176 PolarHBondContact OG-CE1 3.18Å; S172-H176 VanDerWaalsContact OG-CE1 3.25Å; S172-H176 PolarHBondContact OG-ND1 2.63Å
173L82.9Confident80.7Confident101 Ų101102.2 Ų102.253%0.52960%0.599SS.*SBendtrans-131.8152.2176-70.396.8000109.8S175 H176L173-S175 WeakPolarHBondContact CB-OG 3.17Å; L173-S175 PolarHBondContact O-N 3.28Å; L173-S175 VanDerWaalsContact O-N 3.17Å; L173-H176 VanDerWaalsContact CD1-CE1 3.44Å; L173-H176 WeakPolarHBondContact CD1-CE1 3.22Å; L173-H176 PolarHBondContact N-ND1 3.05Å; L173-H176 VanDerWaalsContact O-CB 3.29Å; L173-H176 WeakPolarHBondContact O-CB 3.38Å; L173-H176 PolarHBondContact O-N 3.16Å
174C84.7Confident80.7Confident98 Ų98103.1 Ų103.166%0.66261%0.607SS**G310 helixtrans-58.1-29.3174.5-610000112.6H176 L177C174-H176 PolarHBondContact O-N 2.97Å; C174-L177 WeakPolarHBondContact O-CB 2.93Å; C174-L177 PolarHBondContact O-N 3.33Å; C174-L177 VanDerWaalsContact O-N 3.08Å
175S87.4Confident80.5Confident55 Ų55106.6 Ų106.639%0.38562%0.624SS.*G310 helixtrans-65-22.1174.953.50000113.6L173 L177L173-S175 WeakPolarHBondContact CB-OG 3.17Å; L173-S175 PolarHBondContact O-N 3.28Å; L173-S175 VanDerWaalsContact O-N 3.17Å; S175-L177 PolarHBondContact O-N 3.44Å
176H86.4Confident80.7Confident92 Ų92106 Ų10643%0.42662%0.618SS.*G310 helixtrans-76.5-10.1174.1-60.4156.4000113.1P171 S172 L173 C174P171-H176 HydrophobicContact CB-CB 3.45Å; P171-H176 VanDerWaalsContact CB-CB 3.45Å; S172-H176 PolarHBondContact N-ND1 3.2Å; S172-H176 PolarHBondContact OG-CE1 3.18Å; S172-H176 VanDerWaalsContact OG-CE1 3.25Å; S172-H176 PolarHBondContact OG-ND1 2.63Å; L173-H176 VanDerWaalsContact CD1-CE1 3.44Å; L173-H176 WeakPolarHBondContact CD1-CE1 3.22Å; L173-H176 PolarHBondContact N-ND1 3.05Å; L173-H176 VanDerWaalsContact O-CB 3.29Å; L173-H176 WeakPolarHBondContact O-CB 3.38Å; L173-H176 PolarHBondContact O-N 3.16Å; C174-H176 PolarHBondContact O-N 2.97Å
177L83.4Confident80.8Confident124 Ų124109.8 Ų109.865%0.64964%0.636SS**G310 helixtrans-95-5.3177.3-63.1172.4000112.7P171 C174 S175P171-L177 HydrophobicContact CB-CD2 3.96Å; P171-L177 HydrophobicContact CB-CG 4.26Å; P171-L177 HydrophobicContact CG-CD2 3.49Å; P171-L177 VanDerWaalsContact CG-CD2 3.49Å; P171-L177 HydrophobicContact CG-CG 4.24Å; C174-L177 WeakPolarHBondContact O-CB 2.93Å; C174-L177 PolarHBondContact O-N 3.33Å; C174-L177 VanDerWaalsContact O-N 3.08Å; S175-L177 PolarHBondContact O-N 3.44Å
178W85.8Confident81.2Confident186 Ų186113.3 Ų113.371%0.70564%0.643SS**  trans-82.7137.9177.1-57.7-24.7000110.2
179P73.2Confident81.8Confident199 Ų199112.5 Ų112.5100%1.29263%0.633SS**  trans-69017928.9-34.9000113.7

Retrieved 179 of 179 residues in 158.5 ms (Link to these results)