X5J504_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J504, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 110 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
1G58.2Low82.4Confident93 Ų9370.1 Ų70.196%0.95947%0.473SS*.  0154.2000000109.7T105G1-T105 CarbonylContact C-O 3.49Å; G1-T105 WeakPolarHBondContact CA-O 3.4Å
2G71.4Confident83.6Confident35 Ų3565.6 Ų65.636%0.36144%0.441SS..EExtended strand (participates in β ladder)trans-130.5140.7-176.800000111.8T105 T107G2-T105 PolarHBondContact N-O 3.3Å; G2-T107 PolarHBondContact O-N 3.47Å; G2-T107 VanDerWaalsContact O-N 3.13Å
3L77.1Confident84.6Confident122 Ų12266.7 Ų66.764%0.63945%0.45SS*.EExtended strand (participates in β ladder)trans-90.2125.3168-172.466.3000108.1T107 S109L3-T107 WeakPolarHBondContact CA-O 3.3Å; L3-T107 HydrophobicContact CD1-CG2 3.86Å; L3-S109 VanDerWaalsContact CD1-OG 3.3Å; L3-S109 WeakPolarHBondContact CD1-OG 3.24Å
4V82.4Confident85.5Confident26 Ų2663.2 Ų63.216%0.15843%0.426CS..EExtended strand (participates in β ladder)trans-129.8138.4-178-170.20000109.9L10 V78 L106 T107 V108V4-L10 HydrophobicContact CG2-CD1 4.35Å; V4-L10 HydrophobicContact CG2-CD2 4.16Å; V4-V78 HydrophobicContact CB-CG2 4.5Å; V4-V78 HydrophobicContact CG1-CG2 3.94Å; V4-L106 HydrophobicContact CB-CD1 4.4Å; V4-L106 HydrophobicContact CG2-CD1 3.76Å; V4-T107 PolarHBondContact N-O 3.4Å; V4-V108 WeakPolarHBondContact O-CA 3.03Å
5Q83.8Confident86.2Confident109 Ų10964.3 Ų64.351%0.50944%0.442SS..  trans-71.8143.3174.8-75.1-67.6-23.400110.9G8 S109 S110Q5-G8 PolarHBondContact O-N 3.26Å; Q5-S109 PolarHBondContact OE1-O 3.01Å; Q5-S110 PolarHBondContact NE2-OXT 3.03Å; Q5-S110 PolarHBondContact OE1-OXT 3.43Å
6P86.4Confident86.8Confident63 Ų6361.3 Ų61.341%0.40942%0.423SS..THydrogen-bonded Turntrans-55.7147.5176.3-23.632.7000112.6G8 V78 V108 S109P6-G8 VanDerWaalsContact C-N 3.26Å; P6-G8 PolarHBondContact O-N 3.32Å; P6-V78 CarbonylContact C-O 3.6Å; P6-V78 WeakPolarHBondContact CA-O 3.27Å; P6-V108 HydrophobicContact CB-CG1 4.36Å; P6-V108 HydrophobicContact CG-CG1 4.03Å; P6-S109 WeakPolarHBondContact CD-O 3.24Å
7G84.8Confident87.2Confident56 Ų5663.6 Ų63.658%0.57744%0.439SS*.THydrogen-bonded Turntrans84.8-12.2178.700000114.9V78G7-V78 PolarHBondContact N-O 3.43Å
8G86.4Confident87.5Confident29 Ų2964.2 Ų64.230%0.29946%0.457SS..  trans-71.3175.8174.100000114.2Q5 P6 K77 V78Q5-G8 PolarHBondContact O-N 3.26Å; P6-G8 VanDerWaalsContact C-N 3.26Å; P6-G8 PolarHBondContact O-N 3.32Å; G8-K77 WeakPolarHBondContact O-CA 3.49Å; G8-K77 PolarHBondContact O-N 2.99Å; G8-V78 PolarHBondContact O-N 3.46Å
9S89.8Confident87.7Confident81 Ų8162.9 Ų62.957%0.56644%0.443SS*.  trans-118.4144.4169.7-62.30000109.7M75S9-M75 CarbonylContact C-O 3.57Å; S9-M75 WeakPolarHBondContact CA-O 3.39Å; S9-M75 WeakPolarHBondContact CB-O 3.49Å
10L91.8Very high88.1Confident50 Ų5063.8 Ų63.826%0.26244%0.442SS..EExtended strand (participates in β ladder)trans-135.4151.7179.1-17871.1000109.7V4 L12 Q74 M75 L106V4-L10 HydrophobicContact CG2-CD1 4.35Å; V4-L10 HydrophobicContact CG2-CD2 4.16Å; L10-L12 HydrophobicContact CD2-CD2 3.62Å; L10-L12 HydrophobicContact CD2-CG 4.3Å; L10-L12 HydrophobicContact CG-CD2 4.28Å; L10-Q74 WeakPolarHBondContact O-CA 3.43Å; L10-M75 PolarHBondContact N-O 2.97Å; L10-M75 PolarHBondContact O-N 2.94Å; L10-L106 HydrophobicContact CD2-CD1 3.49Å; L10-L106 VanDerWaalsContact CD2-CD1 3.49Å; L10-L106 HydrophobicContact CD2-CD2 4.08Å; L10-L106 HydrophobicContact CD2-CG 4.38Å
11K94.7Very high88.5Confident107 Ų10760.7 Ų60.747%0.46542%0.421SS..EExtended strand (participates in β ladder)trans-123.3115.6169-173.4173.4-179.9174.80109.7Y72 L73 Q74K11-Y72 HydrophobicContact CD-CD1 4.36Å; K11-Y72 VanDerWaalsContact CE-CB 3.42Å; K11-Y72 HydrophobicContact CG-CD1 4.37Å; K11-L73 CarbonylContact C-O 3.48Å; K11-L73 WeakPolarHBondContact CA-O 3.21Å; K11-Q74 HydrophobicContact CG-CB 4.48Å
12L96.1Very high90.3Very high16 Ų1658.4 Ų58.48%0.08439%0.39CS..EExtended strand (participates in β ladder)trans-83.8150.5170.1-57.5179.5000109.7L10 W28 Y72 L73 M75 Y86 T104L10-L12 HydrophobicContact CD2-CD2 3.62Å; L10-L12 HydrophobicContact CD2-CG 4.3Å; L10-L12 HydrophobicContact CG-CD2 4.28Å; L12-W28 HydrophobicContact CB-CH2 3.94Å; L12-W28 HydrophobicContact CB-CZ2 4.35Å; L12-W28 HydrophobicContact CD1-CZ3 4.46Å; L12-Y72 WeakPolarHBondContact O-CA 3.01Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 HydrophobicContact CD1-CD2 4.39Å; L12-L73 PolarHBondContact N-O 3.14Å; L12-L73 PolarHBondContact O-N 2.89Å; L12-M75 HydrophobicContact CD1-SD 4.39Å; L12-Y86 HydrophobicContact CD1-CD1 3.92Å; L12-Y86 HydrophobicContact CD1-CD2 4.06Å; L12-Y86 HydrophobicContact CD1-CG 3.62Å; L12-T104 HydrophobicContact CD1-CG2 4.04Å; L12-T104 HydrophobicContact CD2-CG2 4.03Å
13S97.1Very high91.4Very high80 Ų8065.5 Ų65.556%0.55941%0.406SS*.EExtended strand (participates in β ladder)trans-128.1149.2173.158.50000110.7L71S13-L71 CarbonylContact C-O 3.54Å; S13-L71 WeakPolarHBondContact CA-O 3.39Å
14C97.2Very high92.3Very high18 Ų1863.7 Ų63.712%0.12239%0.391CS..EExtended strand (participates in β ladder)trans-136.6112.8171.4162.20000108.9W28 T70 L71 C88C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 4.08Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.47Å; C14-L71 HydrophobicContact CB-CB 4.44Å; C14-L71 PolarHBondContact N-O 2.95Å; C14-L71 PolarHBondContact O-N 2.84Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.25Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.11Å
15A96.7Very high93Very high80 Ų8066.5 Ų66.566%0.66140%0.399SS*.EExtended strand (participates in β ladder)trans-83.7125.5172.800000109.7
16A95Very high93.7Very high16 Ų1661.6 Ų61.613%0.13238%0.376CS..  trans-91.8146176.400000111F19 F21 N69A16-F19 HydrophobicContact CB-CE1 4.04Å; A16-F19 HydrophobicContact CB-CE2 4.44Å; A16-F19 HydrophobicContact CB-CZ 3.71Å; A16-F21 HydrophobicContact CB-CB 4.26Å; A16-F21 HydrophobicContact CB-CD2 3.42Å; A16-F21 VanDerWaalsContact CB-CD2 3.42Å; A16-F21 HydrophobicContact CB-CE2 4.09Å; A16-F21 HydrophobicContact CB-CG 4.18Å; A16-N69 PolarHBondContact N-O 3Å
17S93.4Very high94.2Very high100 Ų10058.6 Ų58.670%0.69936%0.356SS*.  trans-146.8160.117460.40000110F19S17-F19 WeakPolarHBondContact O-CD1 3.42Å
18G92.3Very high94.9Very high75 Ų7556 Ų5677%0.77333%0.329SS*.SBendtrans84.30.8178.300000115.7
19F92.8Very high95.4Very high40 Ų4054.8 Ų54.818%0.17532%0.316CS..SBendtrans-154.6164.5173.162.6-84.3000111.2A16 S17 F21 Y24 M26 R90 Y99A16-F19 HydrophobicContact CB-CE1 4.04Å; A16-F19 HydrophobicContact CB-CE2 4.44Å; A16-F19 HydrophobicContact CB-CZ 3.71Å; S17-F19 WeakPolarHBondContact O-CD1 3.42Å; F19-F21 HydrophobicContact CE2-CB 4.3Å; F19-F21 HydrophobicContact CE2-CD2 4.32Å; F19-F21 HydrophobicContact CZ-CD2 4.5Å; F19-F21 PolarHBondContact O-N 3.04Å; F19-Y24 AromaticContact CD2-CD2 3.76Å; F19-Y24 HydrophobicContact CD2-CD2 3.76Å; F19-Y24 HydrophobicContact CD2-CE2 4.21Å; F19-Y24 HydrophobicContact CD2-CG 4.5Å; F19-Y24 HydrophobicContact CE2-CD2 4.32Å; F19-M26 HydrophobicContact CE2-SD 3.97Å; F19-M26 HydrophobicContact CZ-CE 4.21Å; F19-M26 HydrophobicContact CZ-SD 4Å; F19-R90 VanDerWaalsContact CB-NH1 3.33Å; F19-R90 HydrophobicContact CE2-CG 4.4Å; F19-R90 VanDerWaalsContact CG-NH1 3.31Å; F19-R90 HydrophobicContact CZ-CB 4.5Å; F19-Y99 HydrophobicContact CD1-CD1 4.13Å; F19-Y99 HydrophobicContact CD1-CE1 4.26Å; F19-Y99 HydrophobicContact CD1-CG 4.48Å; F19-Y99 HydrophobicContact CE1-CD1 4.23Å; F19-Y99 HydrophobicContact CE1-CG 4.39Å
20D95.1Very high95.8Very high79 Ų7952.2 Ų52.242%0.42229%0.294SS..  trans-75.288174.1-177-4.3000110.4S22 R23 Y24D20-S22 PolarHBondContact O-N 2.94Å; D20-S22 VanDerWaalsContact O-N 3.09Å; D20-S22 WeakPolarHBondContact OD1-CB 3.32Å; D20-S22 PolarHBondContact OD1-N 3.08Å; D20-S22 PolarHBondContact OD1-OG 3Å; D20-R23 HydrophobicContact CB-CG 4.37Å; D20-R23 PolarHBondContact O-N 2.79Å; D20-R23 WeakPolarHBondContact OD2-CD 3.35Å; D20-R23 WeakPolarHBondContact OD2-CG 3.4Å; D20-Y24 VanDerWaalsContact O-CD2 3.23Å; D20-Y24 WeakPolarHBondContact O-CD2 3.35Å
21F96.1Very high96Very high0 Ų053.1 Ų53.10%030%0.296CS..G310 helixtrans-48.8-37.9-178.5177-98000112.9A16 F19 R23 Y24 M26 R64 N66 N69 L71A16-F21 HydrophobicContact CB-CB 4.26Å; A16-F21 HydrophobicContact CB-CD2 3.42Å; A16-F21 VanDerWaalsContact CB-CD2 3.42Å; A16-F21 HydrophobicContact CB-CE2 4.09Å; A16-F21 HydrophobicContact CB-CG 4.18Å; F19-F21 HydrophobicContact CE2-CB 4.3Å; F19-F21 HydrophobicContact CE2-CD2 4.32Å; F19-F21 HydrophobicContact CZ-CD2 4.5Å; F19-F21 PolarHBondContact O-N 3.04Å; F21-R23 PolarHBondContact O-N 3.17Å; F21-R23 VanDerWaalsContact O-N 3.11Å; F21-Y24 PolarHBondContact O-N 2.87Å; F21-M26 HydrophobicContact CD2-CE 4.31Å; F21-M26 HydrophobicContact CD2-CG 3.96Å; F21-M26 HydrophobicContact CD2-SD 3.93Å; F21-M26 HydrophobicContact CE2-CB 4.45Å; F21-M26 HydrophobicContact CE2-CE 4.01Å; F21-M26 HydrophobicContact CE2-CG 3.48Å; F21-M26 VanDerWaalsContact CE2-CG 3.48Å; F21-M26 HydrophobicContact CE2-SD 3.91Å; F21-M26 HydrophobicContact CZ-CG 4.04Å; F21-R64 VanDerWaalsContact CD1-NH2 3.35Å; F21-R64 HydrophobicContact CE1-CB 4.17Å; F21-R64 VanDerWaalsContact CE1-NH2 3.29Å; F21-R64 HydrophobicContact CZ-CB 4.12Å; F21-R64 PolarHBondContact O-NH2 3.23Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.5Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.36Å; F21-N69 HydrophobicContact CB-CB 3.95Å; F21-N69 WeakPolarHBondContact CB-OD1 3.5Å; F21-N69 HydrophobicContact CD1-CB 4.42Å; F21-N69 HydrophobicContact CG-CB 4.2Å; F21-L71 HydrophobicContact CE2-CB 4.22Å; F21-L71 HydrophobicContact CZ-CB 4.13Å
22S96.2Very high96.1Very high44 Ų4449.2 Ų49.231%0.30829%0.285SS..G310 helixtrans-63.8-18.3-17677.50000113.8D20 P45D20-S22 PolarHBondContact O-N 2.94Å; D20-S22 VanDerWaalsContact O-N 3.09Å; D20-S22 WeakPolarHBondContact OD1-CB 3.32Å; D20-S22 PolarHBondContact OD1-N 3.08Å; D20-S22 PolarHBondContact OD1-OG 3Å; S22-P45 VanDerWaalsContact O-CB 3.3Å; S22-P45 WeakPolarHBondContact O-CB 3.37Å
23R95.4Very high96Very high185 Ų18553.4 Ų53.470%0.69831%0.312SS*.G310 helixtrans-97.2-8.5-176.7-66-172.870.8173.94.8114.8D20 F21D20-R23 HydrophobicContact CB-CG 4.37Å; D20-R23 PolarHBondContact O-N 2.79Å; D20-R23 WeakPolarHBondContact OD2-CD 3.35Å; D20-R23 WeakPolarHBondContact OD2-CG 3.4Å; F21-R23 PolarHBondContact O-N 3.17Å; F21-R23 VanDerWaalsContact O-N 3.11Å
24Y95.6Very high95.9Very high84 Ų8453.9 Ų53.933%0.32933%0.33SS..SBendtrans-113.8148.7-174.8-65.1-88.6000112F19 D20 F21 R64 R90F19-Y24 AromaticContact CD2-CD2 3.76Å; F19-Y24 HydrophobicContact CD2-CD2 3.76Å; F19-Y24 HydrophobicContact CD2-CE2 4.21Å; F19-Y24 HydrophobicContact CD2-CG 4.5Å; F19-Y24 HydrophobicContact CE2-CD2 4.32Å; D20-Y24 VanDerWaalsContact O-CD2 3.23Å; D20-Y24 WeakPolarHBondContact O-CD2 3.35Å; F21-Y24 PolarHBondContact O-N 2.87Å; Y24-R64 PolarHBondContact O-NH1 2.62Å; Y24-R90 HydrophobicContact CD1-CG 4.22Å; Y24-R90 HydrophobicContact CG-CG 4.17Å
25W96.9Very high95.8Very high85 Ų8560.1 Ų60.132%0.32236%0.355SS..  trans-62.4154.1158.8-72.965.7000109.1E42 I43 N44 T49 P91W25-E42 HydrophobicContact CE3-CB 4.24Å; W25-E42 HydrophobicContact CE3-CG 3.48Å; W25-E42 VanDerWaalsContact CE3-CG 3.48Å; W25-E42 HydrophobicContact CZ3-CG 3.61Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.02Å; W25-I43 WeakPolarHBondContact CA-O 3.2Å; W25-N44 HydrophobicContact CD2-CB 3.67Å; W25-N44 HydrophobicContact CE3-CB 3.97Å; W25-N44 HydrophobicContact CG-CB 4.35Å; W25-N44 HydrophobicContact CH2-CB 3.77Å; W25-N44 HydrophobicContact CZ2-CB 3.43Å; W25-N44 VanDerWaalsContact CZ2-CB 3.43Å; W25-N44 HydrophobicContact CZ3-CB 4.01Å; W25-T49 HydrophobicContact CH2-CG2 3.91Å; W25-T49 HydrophobicContact CZ3-CG2 4.49Å; W25-P91 HydrophobicContact CB-CG 3.71Å; W25-P91 WeakPolarHBondContact O-CD 3.38Å
26M97.9Very high95.8Very high5 Ų558.9 Ų58.93%0.02535%0.35CS..EExtended strand (participates in β ladder)trans-139.3135.4179.9-65.8-61.7-52.800109.5F19 F21 E42 I43 L71 R90F19-M26 HydrophobicContact CE2-SD 3.97Å; F19-M26 HydrophobicContact CZ-CE 4.21Å; F19-M26 HydrophobicContact CZ-SD 4Å; F21-M26 HydrophobicContact CD2-CE 4.31Å; F21-M26 HydrophobicContact CD2-CG 3.96Å; F21-M26 HydrophobicContact CD2-SD 3.93Å; F21-M26 HydrophobicContact CE2-CB 4.45Å; F21-M26 HydrophobicContact CE2-CE 4.01Å; F21-M26 HydrophobicContact CE2-CG 3.48Å; F21-M26 VanDerWaalsContact CE2-CG 3.48Å; F21-M26 HydrophobicContact CE2-SD 3.91Å; F21-M26 HydrophobicContact CZ-CG 4.04Å; M26-E42 CarbonylContact O-C 3.42Å; M26-E42 WeakPolarHBondContact O-CA 3.1Å; M26-E42 WeakPolarHBondContact O-CB 3.48Å; M26-I43 HydrophobicContact CB-CG2 4.41Å; M26-I43 PolarHBondContact N-O 3.14Å; M26-I43 PolarHBondContact O-N 2.71Å; M26-L71 HydrophobicContact CB-CD1 3.78Å; M26-L71 HydrophobicContact CB-CD2 3.91Å; M26-L71 HydrophobicContact CB-CG 4.36Å; M26-R90 HydrophobicContact CE-CB 4.46Å; M26-R90 HydrophobicContact SD-CB 4.16Å; M26-R90 HydrophobicContact SD-CG 4.16Å
27S97.9Very high95.8Very high0 Ų062.9 Ų62.90%037%0.369CS..EExtended strand (participates in β ladder)trans-113.5152.6-175.5-77.30000112.2W39 G41 E42 C88 A89 F97S27-W39 PolarHBondContact OG-NE1 3.46Å; S27-W39 VanDerWaalsContact OG-NE1 3.12Å; S27-G41 CarbonylContact C-O 3.54Å; S27-G41 VanDerWaalsContact CA-O 3.31Å; S27-G41 WeakPolarHBondContact CA-O 2.97Å; S27-E42 WeakPolarHBondContact OG-CB 3.41Å; S27-C88 CarbonylContact O-C 3.59Å; S27-C88 VanDerWaalsContact O-CA 3.28Å; S27-C88 WeakPolarHBondContact O-CA 3.48Å; S27-A89 PolarHBondContact N-O 2.81Å; S27-A89 PolarHBondContact O-N 3.04Å; S27-F97 WeakPolarHBondContact OG-CE1 3.23Å
28W98.1Very high96Very high3 Ų361.2 Ų61.21%0.01135%0.35CS..EExtended strand (participates in β ladder)trans-108.5137.9159.8-80.2100000110.3L12 C14 I40 G41 L71 Y72 L73 Y87 C88L12-W28 HydrophobicContact CB-CH2 3.94Å; L12-W28 HydrophobicContact CB-CZ2 4.35Å; L12-W28 HydrophobicContact CD1-CZ3 4.46Å; C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 4.08Å; W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.24Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 3.13Å; W28-G41 PolarHBondContact N-O 3.18Å; W28-L71 HydrophobicContact CD2-CD2 4.34Å; W28-L71 HydrophobicContact CG-CD2 4.21Å; W28-L71 HydrophobicContact CZ2-CD2 4.41Å; W28-L71 VanDerWaalsContact NE1-CD2 3.26Å; W28-Y72 PolarHBondContact NE1-O 2.94Å; W28-L73 HydrophobicContact CB-CD1 4.33Å; W28-L73 HydrophobicContact CB-CD2 4.39Å; W28-L73 HydrophobicContact CD2-CB 3.86Å; W28-L73 HydrophobicContact CD2-CD2 4.05Å; W28-L73 HydrophobicContact CD2-CG 4.41Å; W28-L73 HydrophobicContact CE3-CB 4.5Å; W28-L73 HydrophobicContact CE3-CD2 4.23Å; W28-L73 HydrophobicContact CG-CB 4.11Å; W28-L73 HydrophobicContact CG-CD1 4.02Å; W28-L73 HydrophobicContact CG-CD2 4.12Å; W28-L73 HydrophobicContact CG-CG 4.33Å; W28-L73 HydrophobicContact CZ2-CB 3.94Å; W28-Y87 CarbonylContact C-O 3.42Å; W28-Y87 WeakPolarHBondContact CA-O 3.48Å; W28-Y87 VanDerWaalsContact CE3-O 3.23Å; W28-C88 HydrophobicContact CZ3-CB 4.5Å
29V97.9Very high96.2Very high3 Ų361.2 Ų61.22%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-131.8142.7177.2-177.50000107.5L37 E38 Y87 F97 W100V29-L37 HydrophobicContact CG1-CB 3.94Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.43Å; V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 WeakPolarHBondContact CG1-O 2.88Å; V29-Y87 PolarHBondContact N-O 3.29Å; V29-Y87 PolarHBondContact O-N 2.84Å; V29-F97 HydrophobicContact CG2-CE2 4.39Å; V29-F97 HydrophobicContact CG2-CZ 4.46Å; V29-W100 HydrophobicContact CB-CH2 4.3Å; V29-W100 HydrophobicContact CB-CZ3 3.92Å; V29-W100 HydrophobicContact CG1-CH2 4.14Å; V29-W100 HydrophobicContact CG1-CZ3 4.03Å; V29-W100 HydrophobicContact CG2-CH2 4.01Å; V29-W100 HydrophobicContact CG2-CZ3 3.97Å
30R97.1Very high96.4Very high26 Ų2659.3 Ų59.310%0.09832%0.318CS..EExtended strand (participates in β ladder)trans-124158.7171.967177-172.6175.10.3112.6E38 I40 D82 A84 L85 Y86R30-E38 HydrophobicContact CG-CB 4.22Å; R30-E38 IonicContact CZ-OE2 2.84Å; R30-E38 PolarHBondContact N-O 2.83Å; R30-E38 IonicContact NE-OE2 2.75Å; R30-E38 PolarHBondContact NE-OE2 2.76Å; R30-E38 IonicContact NH2-OE1 2.71Å; R30-E38 IonicContact NH2-OE2 3.57Å; R30-E38 PolarHBondContact NH2-OE2 2.79Å; R30-E38 PolarHBondContact O-N 3.44Å; R30-I40 HydrophobicContact CB-CD1 4.01Å; R30-I40 HydrophobicContact CB-CG1 4.45Å; R30-I40 HydrophobicContact CG-CD1 4.01Å; R30-I40 HydrophobicContact CG-CG1 4.06Å; R30-D82 IonicContact NH1-OD1 3.52Å; R30-A84 HydrophobicContact CB-CB 4.09Å; R30-L85 CarbonylContact C-O 3.47Å; R30-L85 WeakPolarHBondContact CA-O 3.3Å; R30-Y86 HydrophobicContact CB-CD1 3.91Å; R30-Y86 HydrophobicContact CB-CE1 3.88Å; R30-Y86 HydrophobicContact CB-CG 4.32Å
31Q97.5Very high96.5Very high69 Ų6955.5 Ų55.532%0.32230%0.298SS..EExtended strand (participates in β ladder)trans-134.5104.5173.8-168.9178.422.200109.3K35 L37 A84 L85 Y87Q31-K35 WeakPolarHBondContact CG-O 3.22Å; Q31-K35 PolarHBondContact NE2-O 3.03Å; Q31-L37 HydrophobicContact CB-CD2 4.09Å; Q31-L37 HydrophobicContact CG-CD2 4.5Å; Q31-A84 WeakPolarHBondContact O-CA 3.23Å; Q31-A84 WeakPolarHBondContact O-CB 3.29Å; Q31-L85 HydrophobicContact CB-CB 4.41Å; Q31-L85 PolarHBondContact N-O 3Å; Q31-L85 PolarHBondContact O-N 2.73Å; Q31-Y87 HydrophobicContact CB-CE2 4.09Å
32A95.8Very high96.6Very high26 Ų2657.3 Ų57.322%0.21531%0.307CS..  trans-72.5153.2172.600000110.6G34 K35 A84A32-G34 PolarHBondContact O-N 2.84Å; A32-K35 HydrophobicContact CB-CB 4.13Å; A32-K35 HydrophobicContact CB-CG 3.98Å; A32-K35 WeakPolarHBondContact O-CB 3.15Å; A32-K35 PolarHBondContact O-N 2.86Å; A32-A84 HydrophobicContact CB-CB 4.47Å
33P94.4Very high96.7Very high103 Ų10355.3 Ų55.367%0.66929%0.292SS*.THydrogen-bonded Turntrans-52.8127.4176.6-26.734.7000112.2K35 T83P33-K35 PolarHBondContact O-N 3.37Å; P33-T83 VanDerWaalsContact CD-O 3.27Å; P33-T83 WeakPolarHBondContact CD-O 3.39Å; P33-T83 HydrophobicContact CG-CG2 4.49Å
34G95.4Very high96.8Very high90 Ų9047.1 Ų47.193%0.92826%0.262SS*.THydrogen-bonded Turntrans7111.4-179.100000115.3A32A32-G34 PolarHBondContact O-N 2.84Å
35K94.9Very high96.8Very high149 Ų14944.8 Ų44.865%0.64826%0.258SS*.  trans-115.8160.8176.7-58.9-64.6-175.3178.10111.6Q31 A32 P33Q31-K35 WeakPolarHBondContact CG-O 3.22Å; Q31-K35 PolarHBondContact NE2-O 3.03Å; A32-K35 HydrophobicContact CB-CB 4.13Å; A32-K35 HydrophobicContact CB-CG 3.98Å; A32-K35 WeakPolarHBondContact O-CB 3.15Å; A32-K35 PolarHBondContact O-N 2.86Å; P33-K35 PolarHBondContact O-N 3.37Å
36G95.5Very high96.8Very high54 Ų5446.1 Ų46.156%0.55727%0.271SS*.  trans-72.2179.6169.600000112.4
37L96Very high96.8Very high100 Ų10048.4 Ų48.452%0.52429%0.287SS..EExtended strand (participates in β ladder)trans-67.6131.1172.3-67.1169.2000110.1V29 Q31 Y87 W100V29-L37 HydrophobicContact CG1-CB 3.94Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.43Å; Q31-L37 HydrophobicContact CB-CD2 4.09Å; Q31-L37 HydrophobicContact CG-CD2 4.5Å; L37-Y87 HydrophobicContact CD2-CD2 4.3Å; L37-Y87 HydrophobicContact CD2-CE2 4.13Å; L37-W100 HydrophobicContact CD1-CH2 3.98Å
38E96.4Very high96.8Very high65 Ų6552.5 Ų52.530%0.30432%0.316SS..EExtended strand (participates in β ladder)trans-118.3118.2175.8-176.1-176.7-160.200108.7V29 R30 L56V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 WeakPolarHBondContact CG1-O 2.88Å; R30-E38 HydrophobicContact CG-CB 4.22Å; R30-E38 IonicContact CZ-OE2 2.84Å; R30-E38 PolarHBondContact N-O 2.83Å; R30-E38 IonicContact NE-OE2 2.75Å; R30-E38 PolarHBondContact NE-OE2 2.76Å; R30-E38 IonicContact NH2-OE1 2.71Å; R30-E38 IonicContact NH2-OE2 3.57Å; R30-E38 PolarHBondContact NH2-OE2 2.79Å; R30-E38 PolarHBondContact O-N 3.44Å; E38-L56 HydrophobicContact CG-CD1 4.4Å
39W96.8Very high96.8Very high75 Ų7555.1 Ų55.128%0.28433%0.332SS..EExtended strand (participates in β ladder)trans-71.4131.8174.4-179.180.4000110S27 G41 E42 N51 T53 F97S27-W39 PolarHBondContact OG-NE1 3.46Å; S27-W39 VanDerWaalsContact OG-NE1 3.12Å; W39-G41 VanDerWaalsContact CZ2-C 3.46Å; W39-G41 VanDerWaalsContact CZ2-CA 3.46Å; W39-E42 HydrophobicContact CH2-CG 4.4Å; W39-E42 HydrophobicContact CZ2-CB 3.82Å; W39-E42 HydrophobicContact CZ2-CG 3.64Å; W39-N51 HydrophobicContact CH2-CB 3.83Å; W39-N51 HydrophobicContact CZ2-CB 4.47Å; W39-T53 VanDerWaalsContact CE3-OG1 3.32Å; W39-T53 WeakPolarHBondContact O-CB 3.19Å; W39-T53 PolarHBondContact O-OG1 2.76Å; W39-F97 AromaticContact CD1-CZ 3.79Å
40I97.2Very high96.8Very high0 Ų058 Ų580%035%0.347CS..EExtended strand (participates in β ladder)trans-91.4-46.8180-61.5-179.6000110.2W28 R30 Y52 T53 L56 F60 L73 Y86W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.24Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 3.13Å; R30-I40 HydrophobicContact CB-CD1 4.01Å; R30-I40 HydrophobicContact CB-CG1 4.45Å; R30-I40 HydrophobicContact CG-CD1 4.01Å; R30-I40 HydrophobicContact CG-CG1 4.06Å; I40-Y52 WeakPolarHBondContact O-CA 3.32Å; I40-T53 PolarHBondContact O-N 2.84Å; I40-L56 HydrophobicContact CB-CD1 4.42Å; I40-L56 HydrophobicContact CG1-CD1 4.12Å; I40-L56 HydrophobicContact CG2-CD1 4.43Å; I40-F60 HydrophobicContact CD1-CD1 4.48Å; I40-F60 HydrophobicContact CD1-CE1 4.28Å; I40-F60 HydrophobicContact CG2-CB 3.94Å; I40-F60 HydrophobicContact CG2-CD1 4.32Å; I40-F60 HydrophobicContact CG2-CD2 4.03Å; I40-F60 HydrophobicContact CG2-CG 3.84Å; I40-L73 HydrophobicContact CD1-CD2 3.85Å; I40-L73 HydrophobicContact CG2-CD1 4.32Å; I40-Y86 HydrophobicContact CD1-CD1 3.83Å; I40-Y86 HydrophobicContact CD1-CE1 3.64Å
41G97.4Very high96.8Very high0 Ų059.9 Ų59.90%036%0.359CS..EExtended strand (participates in β ladder)trans165.7175.5-172.800000112S27 W28 W39 N51S27-G41 CarbonylContact C-O 3.54Å; S27-G41 VanDerWaalsContact CA-O 3.31Å; S27-G41 WeakPolarHBondContact CA-O 2.97Å; W28-G41 PolarHBondContact N-O 3.18Å; W39-G41 VanDerWaalsContact CZ2-C 3.46Å; W39-G41 VanDerWaalsContact CZ2-CA 3.46Å; G41-N51 CarbonylContact C-O 3.6Å; G41-N51 WeakPolarHBondContact CA-O 3.42Å
42E97.4Very high96.8Very high38 Ų3858.6 Ų58.618%0.17835%0.352CS..EExtended strand (participates in β ladder)trans-145.2157.8179.571.4-175.7164.200112W25 M26 S27 W39 I50 N51W25-E42 HydrophobicContact CE3-CB 4.24Å; W25-E42 HydrophobicContact CE3-CG 3.48Å; W25-E42 VanDerWaalsContact CE3-CG 3.48Å; W25-E42 HydrophobicContact CZ3-CG 3.61Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.02Å; M26-E42 CarbonylContact O-C 3.42Å; M26-E42 WeakPolarHBondContact O-CA 3.1Å; M26-E42 WeakPolarHBondContact O-CB 3.48Å; S27-E42 WeakPolarHBondContact OG-CB 3.41Å; W39-E42 HydrophobicContact CH2-CG 4.4Å; W39-E42 HydrophobicContact CZ2-CB 3.82Å; W39-E42 HydrophobicContact CZ2-CG 3.64Å; E42-I50 VanDerWaalsContact O-CA 3.29Å; E42-I50 WeakPolarHBondContact O-CA 3.39Å; E42-I50 VanDerWaalsContact O-CG2 3.23Å; E42-I50 WeakPolarHBondContact O-CG2 3.45Å; E42-N51 HydrophobicContact CG-CB 4.09Å; E42-N51 PolarHBondContact N-O 2.62Å; E42-N51 PolarHBondContact O-N 2.64Å; E42-N51 PolarHBondContact OE1-ND2 3.44Å; E42-N51 VanDerWaalsContact OE1-ND2 3.14Å
43I98.3Very high96.8Very high2 Ų258.8 Ų58.81%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-128.7136.9178.5-175161.3000110.2W25 M26 I50 I62 R64 L71W25-I43 WeakPolarHBondContact CA-O 3.2Å; M26-I43 HydrophobicContact CB-CG2 4.41Å; M26-I43 PolarHBondContact N-O 3.14Å; M26-I43 PolarHBondContact O-N 2.71Å; I43-I50 HydrophobicContact CB-CG1 4.39Å; I43-I50 HydrophobicContact CD1-CD1 3.91Å; I43-I50 HydrophobicContact CD1-CG1 3.97Å; I43-I50 HydrophobicContact CG1-CD1 4.47Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I43-I62 HydrophobicContact CB-CG2 3.83Å; I43-I62 HydrophobicContact CD1-CG2 4.46Å; I43-I62 HydrophobicContact CG2-CG2 3.59Å; I43-R64 HydrophobicContact CD1-CG 4.01Å; I43-R64 HydrophobicContact CG1-CG 4.44Å; I43-R64 HydrophobicContact CG2-CB 4.48Å; I43-L71 HydrophobicContact CG2-CD1 3.53Å
44N97.4Very high96.7Very high13 Ų1359.4 Ų59.47%0.0735%0.354CS..  trans-77.4166.8179.278.2-26.5000112.2W25 D46 S47 S48 T49 R64W25-N44 HydrophobicContact CD2-CB 3.67Å; W25-N44 HydrophobicContact CE3-CB 3.97Å; W25-N44 HydrophobicContact CG-CB 4.35Å; W25-N44 HydrophobicContact CH2-CB 3.77Å; W25-N44 HydrophobicContact CZ2-CB 3.43Å; W25-N44 VanDerWaalsContact CZ2-CB 3.43Å; W25-N44 HydrophobicContact CZ3-CB 4.01Å; N44-D46 PolarHBondContact ND2-OD1 2.01Å; N44-D46 PolarHBondContact O-N 2.82Å; N44-D46 PolarHBondContact OD1-OD1 2.84Å; N44-D46 VanDerWaalsContact OD1-OD1 3.12Å; N44-S47 PolarHBondContact O-N 2.97Å; N44-S47 VanDerWaalsContact OD1-C 3.3Å; N44-S47 VanDerWaalsContact OD1-CA 3.24Å; N44-S47 WeakPolarHBondContact OD1-CA 3.47Å; N44-S47 PolarHBondContact OD1-N 2.92Å; N44-S48 PolarHBondContact ND2-OG 2.88Å; N44-S48 PolarHBondContact OD1-N 2.8Å; N44-T49 PolarHBondContact N-O 3.38Å; N44-T49 VanDerWaalsContact N-O 3.09Å; N44-T49 PolarHBondContact OD1-N 2.78Å; N44-T49 PolarHBondContact OD1-O 2.72Å; N44-T49 VanDerWaalsContact OD1-O 3.14Å; N44-R64 VanDerWaalsContact O-CD 3.32Å; N44-R64 WeakPolarHBondContact O-CD 3.33Å; N44-R64 PolarHBondContact O-NH1 2.91Å
45P97.5Very high96.5Very high35 Ų3559.7 Ų59.723%0.22734%0.342CS..THydrogen-bonded Turntrans-46.4-46.5179.9-40.143.7000116.9S22 R64 N66S22-P45 VanDerWaalsContact O-CB 3.3Å; S22-P45 WeakPolarHBondContact O-CB 3.37Å; P45-R64 VanDerWaalsContact CA-NH1 3.31Å; P45-N66 PolarHBondContact O-ND2 3.29Å
46D96.8Very high96.3Very high113 Ų11353.1 Ų53.160%0.60431%0.314SS*.THydrogen-bonded Turntrans-93.72.9-17565.813000113.4N44 S48N44-D46 PolarHBondContact ND2-OD1 2.01Å; N44-D46 PolarHBondContact O-N 2.82Å; N44-D46 PolarHBondContact OD1-OD1 2.84Å; N44-D46 VanDerWaalsContact OD1-OD1 3.12Å; D46-S48 PolarHBondContact O-N 2.84Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 3.39Å; D46-S48 PolarHBondContact OD1-N 2.82Å; D46-S48 PolarHBondContact OD1-OG 2.94Å; D46-S48 PolarHBondContact OD2-OG 3.01Å
47S97.5Very high96Very high53 Ų5356.8 Ų56.837%0.37131%0.314SS..SBendtrans62.910.8-177.9-46.70000115.5N44 T49 R64N44-S47 PolarHBondContact O-N 2.97Å; N44-S47 VanDerWaalsContact OD1-C 3.3Å; N44-S47 VanDerWaalsContact OD1-CA 3.24Å; N44-S47 WeakPolarHBondContact OD1-CA 3.47Å; N44-S47 PolarHBondContact OD1-N 2.92Å; S47-T49 VanDerWaalsContact C-N 3.3Å; S47-R64 WeakPolarHBondContact OG-CD 3.34Å; S47-R64 VanDerWaalsContact OG-CG 3.23Å; S47-R64 WeakPolarHBondContact OG-CG 3.39Å
48S97.6Very high95.7Very high86 Ų8659.7 Ų59.760%0.60133%0.33SS*.SBendtrans-73.4-22.9177.363.90000113.2N44 D46N44-S48 PolarHBondContact ND2-OG 2.88Å; N44-S48 PolarHBondContact OD1-N 2.8Å; D46-S48 PolarHBondContact O-N 2.84Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 3.39Å; D46-S48 PolarHBondContact OD1-N 2.82Å; D46-S48 PolarHBondContact OD1-OG 2.94Å; D46-S48 PolarHBondContact OD2-OG 3.01Å
49T97.8Very high95.5Very high57 Ų5758.4 Ų58.435%0.3532%0.324SS..  trans-127.6130.6-178-55.30000110.7W25 N44 S47W25-T49 HydrophobicContact CH2-CG2 3.91Å; W25-T49 HydrophobicContact CZ3-CG2 4.49Å; N44-T49 PolarHBondContact N-O 3.38Å; N44-T49 VanDerWaalsContact N-O 3.09Å; N44-T49 PolarHBondContact OD1-N 2.78Å; N44-T49 PolarHBondContact OD1-O 2.72Å; N44-T49 VanDerWaalsContact OD1-O 3.14Å; S47-T49 VanDerWaalsContact C-N 3.3Å
50I97.7Very high95.4Very high63 Ų6354.9 Ų54.932%0.32331%0.311SS..EExtended strand (participates in β ladder)trans-133.4122.4173.3-45.3178.9000108.7E42 I43 Y52 I62E42-I50 VanDerWaalsContact O-CA 3.29Å; E42-I50 WeakPolarHBondContact O-CA 3.39Å; E42-I50 VanDerWaalsContact O-CG2 3.23Å; E42-I50 WeakPolarHBondContact O-CG2 3.45Å; I43-I50 HydrophobicContact CB-CG1 4.39Å; I43-I50 HydrophobicContact CD1-CD1 3.91Å; I43-I50 HydrophobicContact CD1-CG1 3.97Å; I43-I50 HydrophobicContact CG1-CD1 4.47Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I50-Y52 HydrophobicContact CB-CE2 3.91Å; I50-Y52 HydrophobicContact CG2-CD2 4Å; I50-Y52 HydrophobicContact CG2-CE1 4.32Å; I50-Y52 HydrophobicContact CG2-CE2 3.27Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.46Å; I50-I62 HydrophobicContact CG2-CB 4.2Å; I50-I62 HydrophobicContact CG2-CD1 4.44Å
51N96.9Very high95.3Very high66 Ų6659 Ų5935%0.35333%0.332SS..EExtended strand (participates in β ladder)trans-103146.5174.4-59.5-39.7000109.4W39 G41 E42W39-N51 HydrophobicContact CH2-CB 3.83Å; W39-N51 HydrophobicContact CZ2-CB 4.47Å; G41-N51 CarbonylContact C-O 3.6Å; G41-N51 WeakPolarHBondContact CA-O 3.42Å; E42-N51 HydrophobicContact CG-CB 4.09Å; E42-N51 PolarHBondContact N-O 2.62Å; E42-N51 PolarHBondContact O-N 2.64Å; E42-N51 PolarHBondContact OE1-ND2 3.44Å; E42-N51 VanDerWaalsContact OE1-ND2 3.14Å
52Y97.3Very high95.4Very high43 Ų4359.2 Ų59.217%0.16933%0.332CS..EExtended strand (participates in β ladder)trans-136.1154179.5-69.5-86.5000110.7I40 I50 K57 F60 I62I40-Y52 WeakPolarHBondContact O-CA 3.32Å; I50-Y52 HydrophobicContact CB-CE2 3.91Å; I50-Y52 HydrophobicContact CG2-CD2 4Å; I50-Y52 HydrophobicContact CG2-CE1 4.32Å; I50-Y52 HydrophobicContact CG2-CE2 3.27Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.46Å; Y52-K57 HydrophobicContact CD2-CG 3.95Å; Y52-K57 HydrophobicContact CG-CB 4.19Å; Y52-K57 HydrophobicContact CG-CG 4.13Å; Y52-F60 HydrophobicContact CE1-CB 4.39Å; Y52-F60 VanDerWaalsContact CE1-O 3.3Å; Y52-F60 WeakPolarHBondContact CE1-O 3.19Å; Y52-I62 HydrophobicContact CD1-CD1 4.3Å; Y52-I62 HydrophobicContact CE1-CB 4.5Å; Y52-I62 HydrophobicContact CE1-CD1 3.79Å; Y52-I62 HydrophobicContact CE1-CG1 3.81Å; Y52-I62 PolarHBondContact OH-N 3.35Å
53T95.7Very high95.4Very high30 Ų3059.1 Ų59.118%0.18434%0.336CS..  trans-62.2126.3157.9-68.20000108.5W39 I40 S55 L56 K57W39-T53 VanDerWaalsContact CE3-OG1 3.32Å; W39-T53 WeakPolarHBondContact O-CB 3.19Å; W39-T53 PolarHBondContact O-OG1 2.76Å; I40-T53 PolarHBondContact O-N 2.84Å; T53-S55 VanDerWaalsContact C-N 3.26Å; T53-S55 WeakPolarHBondContact CG2-OG 3.43Å; T53-S55 PolarHBondContact O-N 3.16Å; T53-S55 VanDerWaalsContact O-N 3.12Å; T53-L56 HydrophobicContact CG2-CD1 4.45Å; T53-L56 HydrophobicContact CG2-CG 4.24Å; T53-L56 PolarHBondContact O-N 3.16Å; T53-K57 PolarHBondContact O-N 3.18Å
54P93.9Very high95.4Very high116 Ų11660.2 Ų60.275%0.75334%0.34SS*.THydrogen-bonded Turntrans-53.3-39-171.6-30.935.8000114.7L56P54-L56 PolarHBondContact O-N 2.86Å
55S90.8Very high95.4Very high95 Ų9561.4 Ų61.466%0.66435%0.347SS*.THydrogen-bonded Turntrans-70-14.9179.254.70000114.5T53T53-S55 VanDerWaalsContact C-N 3.26Å; T53-S55 WeakPolarHBondContact CG2-OG 3.43Å; T53-S55 PolarHBondContact O-N 3.16Å; T53-S55 VanDerWaalsContact O-N 3.12Å
56L90.6Very high95.5Very high12 Ų1262.4 Ų62.46%0.06335%0.35CS..THydrogen-bonded Turntrans-110.8-13.8-173.7-57.6-172.9000112.9E38 I40 T53 P54 D58 K59 F60E38-L56 HydrophobicContact CG-CD1 4.4Å; I40-L56 HydrophobicContact CB-CD1 4.42Å; I40-L56 HydrophobicContact CG1-CD1 4.12Å; I40-L56 HydrophobicContact CG2-CD1 4.43Å; T53-L56 HydrophobicContact CG2-CD1 4.45Å; T53-L56 HydrophobicContact CG2-CG 4.24Å; T53-L56 PolarHBondContact O-N 3.16Å; P54-L56 PolarHBondContact O-N 2.86Å; L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 2.91Å; L56-K59 PolarHBondContact O-N 3.27Å; L56-F60 HydrophobicContact CB-CD2 3.81Å; L56-F60 HydrophobicContact CB-CE2 4.11Å; L56-F60 HydrophobicContact CD1-CE2 4.4Å; L56-F60 HydrophobicContact CD2-CE2 4.1Å; L56-F60 HydrophobicContact CG-CE2 4.42Å; L56-F60 WeakPolarHBondContact O-CD2 3.28Å; L56-F60 PolarHBondContact O-N 3.36Å
57K89.3Confident95.5Very high130 Ų13061.7 Ų61.757%0.56536%0.36SS*.THydrogen-bonded Turntrans-53.7-39.5-173.8-177-179.6175.9-176.30114.3Y52 T53 K59Y52-K57 HydrophobicContact CD2-CG 3.95Å; Y52-K57 HydrophobicContact CG-CB 4.19Å; Y52-K57 HydrophobicContact CG-CG 4.13Å; T53-K57 PolarHBondContact O-N 3.18Å; K57-K59 PolarHBondContact O-N 3.05Å
58D90.1Very high95.5Very high162 Ų16265.4 Ų65.487%0.86637%0.369SS*.THydrogen-bonded Turntrans-81.4-5.8-175.1-61.5-31.1000113.6L56L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 2.91Å
59K91.4Very high95.5Very high38 Ų3864.4 Ų64.417%0.16536%0.357CS..THydrogen-bonded Turntrans-108.1-32.9-174-170.5170.3-163.4173.50113.3L56 K57 D82L56-K59 PolarHBondContact O-N 3.27Å; K57-K59 PolarHBondContact O-N 3.05Å; K59-D82 WeakPolarHBondContact CE-OD1 3.32Å; K59-D82 WeakPolarHBondContact CE-OD2 3.42Å; K59-D82 IonicContact NZ-OD1 3.48Å; K59-D82 PolarHBondContact NZ-OD1 3.11Å; K59-D82 IonicContact NZ-OD2 3.38Å; K59-D82 PolarHBondContact NZ-OD2 3Å
60F94.4Very high95.5Very high1 Ų162.3 Ų62.30%0.00434%0.344CS..EExtended strand (participates in β ladder)trans-114136.7-172.5-65.3-83.8000110.6I40 Y52 L56 L73 Q74 M75 Y86I40-F60 HydrophobicContact CD1-CD1 4.48Å; I40-F60 HydrophobicContact CD1-CE1 4.28Å; I40-F60 HydrophobicContact CG2-CB 3.94Å; I40-F60 HydrophobicContact CG2-CD1 4.32Å; I40-F60 HydrophobicContact CG2-CD2 4.03Å; I40-F60 HydrophobicContact CG2-CG 3.84Å; Y52-F60 HydrophobicContact CE1-CB 4.39Å; Y52-F60 VanDerWaalsContact CE1-O 3.3Å; Y52-F60 WeakPolarHBondContact CE1-O 3.19Å; L56-F60 HydrophobicContact CB-CD2 3.81Å; L56-F60 HydrophobicContact CB-CE2 4.11Å; L56-F60 HydrophobicContact CD1-CE2 4.4Å; L56-F60 HydrophobicContact CD2-CE2 4.1Å; L56-F60 HydrophobicContact CG-CE2 4.42Å; L56-F60 WeakPolarHBondContact O-CD2 3.28Å; L56-F60 PolarHBondContact O-N 3.36Å; F60-L73 HydrophobicContact CB-CD1 3.91Å; F60-L73 HydrophobicContact CD1-CD1 3.84Å; F60-L73 HydrophobicContact CD1-CD2 3.71Å; F60-L73 HydrophobicContact CD1-CG 3.8Å; F60-L73 HydrophobicContact CE1-CD2 4.01Å; F60-L73 HydrophobicContact CG-CD1 4.27Å; F60-Q74 CarbonylContact C-O 3.53Å; F60-Q74 WeakPolarHBondContact CA-O 3.33Å; F60-M75 HydrophobicContact CD1-CE 4.49Å; F60-M75 HydrophobicContact CD1-CG 3.54Å; F60-M75 HydrophobicContact CD1-SD 4.23Å; F60-M75 HydrophobicContact CE1-CE 3.51Å; F60-M75 HydrophobicContact CE1-CG 3.51Å; F60-M75 HydrophobicContact CE1-SD 3.65Å; F60-M75 HydrophobicContact CZ-CE 4.01Å; F60-Y86 AromaticContact CE1-CE1 3.88Å; F60-Y86 HydrophobicContact CE1-CE1 3.88Å; F60-Y86 HydrophobicContact CZ-CE1 4.36Å
61I96.4Very high95.5Very high87 Ų8759.3 Ų59.345%0.44633%0.329SS..EExtended strand (participates in β ladder)trans-120.8113.1172.5-57.9172.8000107.9Q74I61-Q74 HydrophobicContact CB-CB 4.22Å; I61-Q74 PolarHBondContact N-O 2.92Å; I61-Q74 PolarHBondContact O-N 3.12Å
62I98.1Very high95.6Very high3 Ų358.1 Ų58.12%0.01532%0.32CS..EExtended strand (participates in β ladder)trans-86.5135.8174.7-59.1172.2000108.7I43 I50 Y52 L71 Y72 L73I43-I62 HydrophobicContact CB-CG2 3.83Å; I43-I62 HydrophobicContact CD1-CG2 4.46Å; I43-I62 HydrophobicContact CG2-CG2 3.59Å; I50-I62 HydrophobicContact CG2-CB 4.2Å; I50-I62 HydrophobicContact CG2-CD1 4.44Å; Y52-I62 HydrophobicContact CD1-CD1 4.3Å; Y52-I62 HydrophobicContact CE1-CB 4.5Å; Y52-I62 HydrophobicContact CE1-CD1 3.79Å; Y52-I62 HydrophobicContact CE1-CG1 3.81Å; Y52-I62 PolarHBondContact OH-N 3.35Å; I62-L71 HydrophobicContact CG2-CD1 4Å; I62-Y72 WeakPolarHBondContact CA-O 3.32Å; I62-L73 HydrophobicContact CG1-CD1 3.69Å
63S98.2Very high95.6Very high36 Ų3656 Ų5625%0.25231%0.312SS..EExtended strand (participates in β ladder)trans-145.7162.7171.852.70000110.2Y72S63-Y72 PolarHBondContact N-O 3.04Å; S63-Y72 VanDerWaalsContact N-O 3.09Å; S63-Y72 PolarHBondContact O-N 2.82Å
64R98.4Very high95.6Very high25 Ų2558 Ų589%0.09432%0.319CS..EExtended strand (participates in β ladder)trans-139.8153.5-178.663.4-175.4-65.3158.53.1111.5F21 Y24 I43 N44 P45 S47 N66 T70 L71F21-R64 VanDerWaalsContact CD1-NH2 3.35Å; F21-R64 HydrophobicContact CE1-CB 4.17Å; F21-R64 VanDerWaalsContact CE1-NH2 3.29Å; F21-R64 HydrophobicContact CZ-CB 4.12Å; F21-R64 PolarHBondContact O-NH2 3.23Å; Y24-R64 PolarHBondContact O-NH1 2.62Å; I43-R64 HydrophobicContact CD1-CG 4.01Å; I43-R64 HydrophobicContact CG1-CG 4.44Å; I43-R64 HydrophobicContact CG2-CB 4.48Å; N44-R64 VanDerWaalsContact O-CD 3.32Å; N44-R64 WeakPolarHBondContact O-CD 3.33Å; N44-R64 PolarHBondContact O-NH1 2.91Å; P45-R64 VanDerWaalsContact CA-NH1 3.31Å; S47-R64 WeakPolarHBondContact OG-CD 3.34Å; S47-R64 VanDerWaalsContact OG-CG 3.23Å; S47-R64 WeakPolarHBondContact OG-CG 3.39Å; R64-N66 VanDerWaalsContact CZ-OD1 3.23Å; R64-N66 PolarHBondContact NE-OD1 3.37Å; R64-N66 PolarHBondContact NH2-OD1 2.89Å; R64-T70 CarbonylContact C-O 3.54Å; R64-T70 WeakPolarHBondContact CA-O 3.4Å; R64-L71 HydrophobicContact CB-CD1 4.14Å
65D98.1Very high95.6Very high39 Ų3952.5 Ų52.521%0.20928%0.283CS..EExtended strand (participates in β ladder)trans-127.6105.7171.7-177.4-22.2000108.2A67 K68 N69 T70 Y72D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 WeakPolarHBondContact OD1-CB 3.43Å; D65-A67 PolarHBondContact OD1-N 3.12Å; D65-K68 HydrophobicContact CB-CB 4.25Å; D65-K68 CarbonylContact O-C 3.59Å; D65-K68 PolarHBondContact O-N 2.82Å; D65-K68 PolarHBondContact OD1-N 2.85Å; D65-K68 VanDerWaalsContact OD1-N 3.12Å; D65-K68 VanDerWaalsContact OD2-CD 3.27Å; D65-K68 WeakPolarHBondContact OD2-CD 3.38Å; D65-K68 WeakPolarHBondContact OD2-CE 3.3Å; D65-K68 WeakPolarHBondContact OD2-CG 3.44Å; D65-K68 IonicContact OD2-NZ 2.64Å; D65-K68 PolarHBondContact OD2-NZ 2.76Å; D65-N69 PolarHBondContact O-N 2.67Å; D65-T70 PolarHBondContact N-O 3.24Å; D65-T70 PolarHBondContact O-N 2.8Å; D65-Y72 HydrophobicContact CB-CE2 3.83Å
66N97.8Very high95.5Very high56 Ų5650.2 Ų50.230%0.29927%0.267SS..THydrogen-bonded Turntrans-71-29.7-177.2-71.8-18000112.3F21 P45 R64 K68 N69F21-N66 WeakPolarHBondContact CD1-OD1 3.5Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.36Å; P45-N66 PolarHBondContact O-ND2 3.29Å; R64-N66 VanDerWaalsContact CZ-OD1 3.23Å; R64-N66 PolarHBondContact NE-OD1 3.37Å; R64-N66 PolarHBondContact NH2-OD1 2.89Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 2.79Å; N66-N69 PolarHBondContact O-N 3.38Å; N66-N69 PolarHBondContact O-OD1 2.84Å
67A96.9Very high95.5Very high98 Ų9857.4 Ų57.481%0.8130%0.298SS*.THydrogen-bonded Turntrans-69.7-28.9177.100000111.6D65D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 WeakPolarHBondContact OD1-CB 3.43Å; D65-A67 PolarHBondContact OD1-N 3.12Å
68K97.5Very high95.6Very high131 Ų13151.2 Ų51.257%0.5727%0.271SS*.THydrogen-bonded Turntrans-98.92.4176.7-60.4-172-169.2111.90114D65 N66 T70D65-K68 HydrophobicContact CB-CB 4.25Å; D65-K68 CarbonylContact O-C 3.59Å; D65-K68 PolarHBondContact O-N 2.82Å; D65-K68 PolarHBondContact OD1-N 2.85Å; D65-K68 VanDerWaalsContact OD1-N 3.12Å; D65-K68 VanDerWaalsContact OD2-CD 3.27Å; D65-K68 WeakPolarHBondContact OD2-CD 3.38Å; D65-K68 WeakPolarHBondContact OD2-CE 3.3Å; D65-K68 WeakPolarHBondContact OD2-CG 3.44Å; D65-K68 IonicContact OD2-NZ 2.64Å; D65-K68 PolarHBondContact OD2-NZ 2.76Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 2.79Å; K68-T70 PolarHBondContact O-N 3Å; K68-T70 VanDerWaalsContact O-N 3.11Å; K68-T70 PolarHBondContact O-OG1 3.09Å
69N97.4Very high95.7Very high64 Ų6449.5 Ų49.534%0.34225%0.252SS..THydrogen-bonded Turntrans46.739.3-171.4-61.4-39000112.9A16 F21 D65 N66A16-N69 PolarHBondContact N-O 3Å; F21-N69 HydrophobicContact CB-CB 3.95Å; F21-N69 WeakPolarHBondContact CB-OD1 3.5Å; F21-N69 HydrophobicContact CD1-CB 4.42Å; F21-N69 HydrophobicContact CG-CB 4.2Å; D65-N69 PolarHBondContact O-N 2.67Å; N66-N69 PolarHBondContact O-N 3.38Å; N66-N69 PolarHBondContact O-OD1 2.84Å
70T98.2Very high95.7Very high14 Ų1451.5 Ų51.59%0.08627%0.271CS..EExtended strand (participates in β ladder)trans-122129.3-169.8-58.30000111.6C14 R64 D65 K68 Y72C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.47Å; R64-T70 CarbonylContact C-O 3.54Å; R64-T70 WeakPolarHBondContact CA-O 3.4Å; D65-T70 PolarHBondContact N-O 3.24Å; D65-T70 PolarHBondContact O-N 2.8Å; K68-T70 PolarHBondContact O-N 3Å; K68-T70 VanDerWaalsContact O-N 3.11Å; K68-T70 PolarHBondContact O-OG1 3.09Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.5Å; T70-Y72 HydrophobicContact CG2-CE2 3.85Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.5Å
71L98.4Very high95.6Very high0 Ų057.2 Ų57.20%030%0.298CS..EExtended strand (participates in β ladder)trans-96.5142.8170.4-171.371.2000110S13 C14 F21 M26 W28 I43 I62 R64 C88S13-L71 CarbonylContact C-O 3.54Å; S13-L71 WeakPolarHBondContact CA-O 3.39Å; C14-L71 HydrophobicContact CB-CB 4.44Å; C14-L71 PolarHBondContact N-O 2.95Å; C14-L71 PolarHBondContact O-N 2.84Å; F21-L71 HydrophobicContact CE2-CB 4.22Å; F21-L71 HydrophobicContact CZ-CB 4.13Å; M26-L71 HydrophobicContact CB-CD1 3.78Å; M26-L71 HydrophobicContact CB-CD2 3.91Å; M26-L71 HydrophobicContact CB-CG 4.36Å; W28-L71 HydrophobicContact CD2-CD2 4.34Å; W28-L71 HydrophobicContact CG-CD2 4.21Å; W28-L71 HydrophobicContact CZ2-CD2 4.41Å; W28-L71 VanDerWaalsContact NE1-CD2 3.26Å; I43-L71 HydrophobicContact CG2-CD1 3.53Å; I62-L71 HydrophobicContact CG2-CD1 4Å; R64-L71 HydrophobicContact CB-CD1 4.14Å; L71-C88 HydrophobicContact CD2-CB 4.01Å
72Y98.1Very high95.4Very high40 Ų4053.1 Ų53.116%0.15728%0.277CS..EExtended strand (participates in β ladder)trans-126.8148.4178.9-54.7-82.7000112.1K11 L12 W28 I62 S63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.36Å; K11-Y72 VanDerWaalsContact CE-CB 3.42Å; K11-Y72 HydrophobicContact CG-CD1 4.37Å; L12-Y72 WeakPolarHBondContact O-CA 3.01Å; W28-Y72 PolarHBondContact NE1-O 2.94Å; I62-Y72 WeakPolarHBondContact CA-O 3.32Å; S63-Y72 PolarHBondContact N-O 3.04Å; S63-Y72 VanDerWaalsContact N-O 3.09Å; S63-Y72 PolarHBondContact O-N 2.82Å; D65-Y72 HydrophobicContact CB-CE2 3.83Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.5Å; T70-Y72 HydrophobicContact CG2-CE2 3.85Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.5Å
73L97.7Very high95.3Very high0 Ų054.5 Ų54.50%029%0.285CS..EExtended strand (participates in β ladder)trans-127.2109.3170.3-170.868.3000108.6K11 L12 W28 I40 F60 I62 M75 Y86K11-L73 CarbonylContact C-O 3.48Å; K11-L73 WeakPolarHBondContact CA-O 3.21Å; L12-L73 HydrophobicContact CB-CB 4.28Å; L12-L73 HydrophobicContact CD1-CD2 4.39Å; L12-L73 PolarHBondContact N-O 3.14Å; L12-L73 PolarHBondContact O-N 2.89Å; W28-L73 HydrophobicContact CB-CD1 4.33Å; W28-L73 HydrophobicContact CB-CD2 4.39Å; W28-L73 HydrophobicContact CD2-CB 3.86Å; W28-L73 HydrophobicContact CD2-CD2 4.05Å; W28-L73 HydrophobicContact CD2-CG 4.41Å; W28-L73 HydrophobicContact CE3-CB 4.5Å; W28-L73 HydrophobicContact CE3-CD2 4.23Å; W28-L73 HydrophobicContact CG-CB 4.11Å; W28-L73 HydrophobicContact CG-CD1 4.02Å; W28-L73 HydrophobicContact CG-CD2 4.12Å; W28-L73 HydrophobicContact CG-CG 4.33Å; W28-L73 HydrophobicContact CZ2-CB 3.94Å; I40-L73 HydrophobicContact CD1-CD2 3.85Å; I40-L73 HydrophobicContact CG2-CD1 4.32Å; F60-L73 HydrophobicContact CB-CD1 3.91Å; F60-L73 HydrophobicContact CD1-CD1 3.84Å; F60-L73 HydrophobicContact CD1-CD2 3.71Å; F60-L73 HydrophobicContact CD1-CG 3.8Å; F60-L73 HydrophobicContact CE1-CD2 4.01Å; F60-L73 HydrophobicContact CG-CD1 4.27Å; I62-L73 HydrophobicContact CG1-CD1 3.69Å; L73-M75 HydrophobicContact CD2-SD 4.41Å; L73-M75 HydrophobicContact CG-CG 4.34Å; L73-Y86 HydrophobicContact CD2-CD1 3.67Å; L73-Y86 HydrophobicContact CD2-CE1 3.85Å
74Q96.1Very high95.2Very high71 Ų7153 Ų5333%0.33228%0.275SS..EExtended strand (participates in β ladder)trans-92.4134173.1178.2169.6-1700109.8L10 K11 F60 I61L10-Q74 WeakPolarHBondContact O-CA 3.43Å; K11-Q74 HydrophobicContact CG-CB 4.48Å; F60-Q74 CarbonylContact C-O 3.53Å; F60-Q74 WeakPolarHBondContact CA-O 3.33Å; I61-Q74 HydrophobicContact CB-CB 4.22Å; I61-Q74 PolarHBondContact N-O 2.92Å; I61-Q74 PolarHBondContact O-N 3.12Å
75M93.6Very high95.2Very high0 Ų054.6 Ų54.60%029%0.285CS..EExtended strand (participates in β ladder)trans-126.1132.7-176.9-59.4174.557.500108.1S9 L10 L12 F60 L73 V78 D82 Y86 L106S9-M75 CarbonylContact C-O 3.57Å; S9-M75 WeakPolarHBondContact CA-O 3.39Å; S9-M75 WeakPolarHBondContact CB-O 3.49Å; L10-M75 PolarHBondContact N-O 2.97Å; L10-M75 PolarHBondContact O-N 2.94Å; L12-M75 HydrophobicContact CD1-SD 4.39Å; F60-M75 HydrophobicContact CD1-CE 4.49Å; F60-M75 HydrophobicContact CD1-CG 3.54Å; F60-M75 HydrophobicContact CD1-SD 4.23Å; F60-M75 HydrophobicContact CE1-CE 3.51Å; F60-M75 HydrophobicContact CE1-CG 3.51Å; F60-M75 HydrophobicContact CE1-SD 3.65Å; F60-M75 HydrophobicContact CZ-CE 4.01Å; L73-M75 HydrophobicContact CD2-SD 4.41Å; L73-M75 HydrophobicContact CG-CG 4.34Å; M75-V78 HydrophobicContact CB-CG1 3.89Å; M75-V78 HydrophobicContact CE-CG1 4.06Å; M75-D82 HydrophobicContact CE-CB 3.75Å; M75-Y86 HydrophobicContact CE-CE1 4.42Å; M75-Y86 VanDerWaalsContact CE-OH 3.32Å; M75-Y86 WeakPolarHBondContact CE-OH 3.27Å; M75-Y86 HydrophobicContact SD-CE1 4.15Å; M75-L106 HydrophobicContact CE-CD2 3.56Å; M75-L106 HydrophobicContact SD-CD2 3.81Å
76S89.8Confident95.2Very high47 Ų4752.8 Ų52.833%0.32928%0.275SS..  trans-118.6147.8177.4-56.30000110.6V78S76-V78 VanDerWaalsContact C-N 3.35Å; S76-V78 PolarHBondContact O-N 3.48Å
77K89.9Confident95.2Very high163 Ų16352.1 Ų52.171%0.70927%0.269SS*.SBendtrans53.451.5179.3-56176.9-178.4176.60111.5G8 R79G8-K77 WeakPolarHBondContact O-CA 3.49Å; G8-K77 PolarHBondContact O-N 2.99Å; K77-R79 WeakPolarHBondContact O-CG 3.49Å
78V91.8Very high95.2Very high0 Ų047.9 Ų47.90%023%0.233CC..  trans-58.5141.2-177.4-60.70000111.1V4 P6 G7 G8 M75 S76 D82 V108V4-V78 HydrophobicContact CB-CG2 4.5Å; V4-V78 HydrophobicContact CG1-CG2 3.94Å; P6-V78 CarbonylContact C-O 3.6Å; P6-V78 WeakPolarHBondContact CA-O 3.27Å; G7-V78 PolarHBondContact N-O 3.43Å; G8-V78 PolarHBondContact O-N 3.46Å; M75-V78 HydrophobicContact CB-CG1 3.89Å; M75-V78 HydrophobicContact CE-CG1 4.06Å; S76-V78 VanDerWaalsContact C-N 3.35Å; S76-V78 PolarHBondContact O-N 3.48Å; V78-D82 WeakPolarHBondContact CA-OD2 3.18Å; V78-V108 HydrophobicContact CB-CG2 4.17Å; V78-V108 HydrophobicContact CG2-CG1 4.2Å; V78-V108 HydrophobicContact CG2-CG2 4.21Å
79R92.4Very high95.2Very high126 Ų12641.7 Ų41.748%0.47521%0.207SC..  trans-126.2166.5-179.3-55.5-171.2-59.1-150.2-0.6109.7K77 E81 D82 V108K77-R79 WeakPolarHBondContact O-CG 3.49Å; R79-E81 IonicContact CZ-OE1 2.72Å; R79-E81 IonicContact CZ-OE2 3.18Å; R79-E81 IonicContact NE-OE1 3.63Å; R79-E81 IonicContact NE-OE2 2.78Å; R79-E81 PolarHBondContact NE-OE2 3.25Å; R79-E81 IonicContact NH2-OE1 2.67Å; R79-E81 IonicContact NH2-OE2 3.58Å; R79-E81 PolarHBondContact NH2-OE2 3.14Å; R79-E81 PolarHBondContact O-N 3.11Å; R79-E81 VanDerWaalsContact O-N 3.14Å; R79-D82 PolarHBondContact N-OD2 3.23Å; R79-D82 WeakPolarHBondContact O-CB 3.42Å; R79-D82 PolarHBondContact O-N 2.79Å; R79-V108 VanDerWaalsContact C-CG1 3.46Å; R79-V108 WeakPolarHBondContact O-CB 3.21Å; R79-V108 WeakPolarHBondContact O-CG1 3.3Å
80S91.4Very high95.1Very high80 Ų8039.4 Ų39.456%0.55919%0.193SC*.G310 helixtrans-52.2-35.6175.151.40000113D82 T83S80-D82 PolarHBondContact O-N 3.05Å; S80-D82 VanDerWaalsContact O-N 3.17Å; S80-T83 WeakPolarHBondContact O-CB 3.31Å; S80-T83 PolarHBondContact O-N 2.84Å; S80-T83 PolarHBondContact O-OG1 2.98Å
81E91.2Very high94.8Very high122 Ų12240 Ų4057%0.5720%0.197SC*.G310 helixtrans-59.8-18.7174.4-63.1163.1-147.200114.7R79 T83R79-E81 IonicContact CZ-OE1 2.72Å; R79-E81 IonicContact CZ-OE2 3.18Å; R79-E81 IonicContact NE-OE1 3.63Å; R79-E81 IonicContact NE-OE2 2.78Å; R79-E81 PolarHBondContact NE-OE2 3.25Å; R79-E81 IonicContact NH2-OE1 2.67Å; R79-E81 IonicContact NH2-OE2 3.58Å; R79-E81 PolarHBondContact NH2-OE2 3.14Å; R79-E81 PolarHBondContact O-N 3.11Å; R79-E81 VanDerWaalsContact O-N 3.14Å; E81-T83 VanDerWaalsContact C-N 3.26Å
82D93.3Very high94.3Very high1 Ų140.8 Ų40.81%0.00520%0.203CC..G310 helixtrans-86.10.2175.6-59.1-49.4000112.9R30 K59 M75 V78 R79 S80 A84 Y86 V108R30-D82 IonicContact NH1-OD1 3.52Å; K59-D82 WeakPolarHBondContact CE-OD1 3.32Å; K59-D82 WeakPolarHBondContact CE-OD2 3.42Å; K59-D82 IonicContact NZ-OD1 3.48Å; K59-D82 PolarHBondContact NZ-OD1 3.11Å; K59-D82 IonicContact NZ-OD2 3.38Å; K59-D82 PolarHBondContact NZ-OD2 3Å; M75-D82 HydrophobicContact CE-CB 3.75Å; V78-D82 WeakPolarHBondContact CA-OD2 3.18Å; R79-D82 PolarHBondContact N-OD2 3.23Å; R79-D82 WeakPolarHBondContact O-CB 3.42Å; R79-D82 PolarHBondContact O-N 2.79Å; S80-D82 PolarHBondContact O-N 3.05Å; S80-D82 VanDerWaalsContact O-N 3.17Å; D82-A84 PolarHBondContact O-N 3.09Å; D82-A84 VanDerWaalsContact O-N 3.08Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 3.35Å; D82-V108 HydrophobicContact CB-CG2 4.46Å
83T95.3Very high93.5Very high32 Ų3248.6 Ų48.620%0.19624%0.238CC..  trans-64.8111.1173-63.70000109.4P33 S80 E81 L106 T107 V108P33-T83 VanDerWaalsContact CD-O 3.27Å; P33-T83 WeakPolarHBondContact CD-O 3.39Å; P33-T83 HydrophobicContact CG-CG2 4.49Å; S80-T83 WeakPolarHBondContact O-CB 3.31Å; S80-T83 PolarHBondContact O-N 2.84Å; S80-T83 PolarHBondContact O-OG1 2.98Å; E81-T83 VanDerWaalsContact C-N 3.26Å; T83-L106 WeakPolarHBondContact CA-O 3.47Å; T83-T107 HydrophobicContact CG2-CG2 4.42Å; T83-V108 PolarHBondContact OG1-N 3.05Å
84A96.5Very high92.8Very high4 Ų455.2 Ų55.23%0.03327%0.269CS..EExtended strand (participates in β ladder)trans-162.8165.5-176.900000111.3R30 Q31 A32 D82 Y86 L106R30-A84 HydrophobicContact CB-CB 4.09Å; Q31-A84 WeakPolarHBondContact O-CA 3.23Å; Q31-A84 WeakPolarHBondContact O-CB 3.29Å; A32-A84 HydrophobicContact CB-CB 4.47Å; D82-A84 PolarHBondContact O-N 3.09Å; D82-A84 VanDerWaalsContact O-N 3.08Å; A84-Y86 HydrophobicContact CB-CD2 4.21Å; A84-Y86 HydrophobicContact CB-CE2 3.7Å; A84-Y86 WeakPolarHBondContact O-CD2 2.96Å; A84-L106 PolarHBondContact N-O 3.14Å; A84-L106 VanDerWaalsContact N-O 3.14Å; A84-L106 PolarHBondContact O-N 2.97Å
85L97.6Very high91.9Very high58 Ų5859.5 Ų59.530%0.30429%0.294SS..EExtended strand (participates in β ladder)trans-81.4128.2158.8-85.4155.7000109R30 Q31 Y87 T105R30-L85 CarbonylContact C-O 3.47Å; R30-L85 WeakPolarHBondContact CA-O 3.3Å; Q31-L85 HydrophobicContact CB-CB 4.41Å; Q31-L85 PolarHBondContact N-O 3Å; Q31-L85 PolarHBondContact O-N 2.73Å; L85-Y87 HydrophobicContact CB-CE2 3.73Å; L85-T105 VanDerWaalsContact CD2-OG1 3.25Å; L85-T105 WeakPolarHBondContact CD2-OG1 3.47Å
86Y97.8Very high91.6Very high2 Ų265.3 Ų65.31%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-111.1126.4179-73.5-98.8000110.4L12 R30 I40 F60 L73 M75 D82 A84 G103 T104 L106L12-Y86 HydrophobicContact CD1-CD1 3.92Å; L12-Y86 HydrophobicContact CD1-CD2 4.06Å; L12-Y86 HydrophobicContact CD1-CG 3.62Å; R30-Y86 HydrophobicContact CB-CD1 3.91Å; R30-Y86 HydrophobicContact CB-CE1 3.88Å; R30-Y86 HydrophobicContact CB-CG 4.32Å; I40-Y86 HydrophobicContact CD1-CD1 3.83Å; I40-Y86 HydrophobicContact CD1-CE1 3.64Å; F60-Y86 AromaticContact CE1-CE1 3.88Å; F60-Y86 HydrophobicContact CE1-CE1 3.88Å; F60-Y86 HydrophobicContact CZ-CE1 4.36Å; L73-Y86 HydrophobicContact CD2-CD1 3.67Å; L73-Y86 HydrophobicContact CD2-CE1 3.85Å; M75-Y86 HydrophobicContact CE-CE1 4.42Å; M75-Y86 VanDerWaalsContact CE-OH 3.32Å; M75-Y86 WeakPolarHBondContact CE-OH 3.27Å; M75-Y86 HydrophobicContact SD-CE1 4.15Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 3.35Å; A84-Y86 HydrophobicContact CB-CD2 4.21Å; A84-Y86 HydrophobicContact CB-CE2 3.7Å; A84-Y86 WeakPolarHBondContact O-CD2 2.96Å; Y86-G103 CarbonylContact O-C 3.59Å; Y86-G103 VanDerWaalsContact O-CA 3.22Å; Y86-G103 WeakPolarHBondContact O-CA 3.49Å; Y86-T104 PolarHBondContact N-O 3.21Å; Y86-T104 PolarHBondContact O-N 2.93Å; Y86-L106 HydrophobicContact CD2-CB 3.95Å; Y86-L106 HydrophobicContact CE2-CB 3.8Å; Y86-L106 HydrophobicContact CE2-CD2 3.92Å; Y86-L106 HydrophobicContact CE2-CG 4.45Å
87Y97.9Very high91.8Very high41 Ų4166 Ų6616%0.16131%0.314CS..EExtended strand (participates in β ladder)trans-118.3138.5-179.4-52.3-87.5000109.9W28 V29 Q31 L37 L85 W100W28-Y87 CarbonylContact C-O 3.42Å; W28-Y87 WeakPolarHBondContact CA-O 3.48Å; W28-Y87 VanDerWaalsContact CE3-O 3.23Å; V29-Y87 PolarHBondContact N-O 3.29Å; V29-Y87 PolarHBondContact O-N 2.84Å; Q31-Y87 HydrophobicContact CB-CE2 4.09Å; L37-Y87 HydrophobicContact CD2-CD2 4.3Å; L37-Y87 HydrophobicContact CD2-CE2 4.13Å; L85-Y87 HydrophobicContact CB-CE2 3.73Å; Y87-W100 HydrophobicContact CG-CE3 4.28Å; Y87-W100 HydrophobicContact CG-CZ3 4.42Å
88C97.3Very high91.9Very high9 Ų961.2 Ų61.26%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-87.8145.4157.852.80000108.9C14 S27 W28 L71 G101C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.41Å; C14-C88 WeakPolarHBondContact SG-CB 3.25Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.11Å; S27-C88 CarbonylContact O-C 3.59Å; S27-C88 VanDerWaalsContact O-CA 3.28Å; S27-C88 WeakPolarHBondContact O-CA 3.48Å; W28-C88 HydrophobicContact CZ3-CB 4.5Å; L71-C88 HydrophobicContact CD2-CB 4.01Å; C88-G101 PolarHBondContact O-N 2.59Å
89A97.3Very high92Very high2 Ų266.3 Ų66.32%0.01732%0.316CS..EExtended strand (participates in β ladder)trans-142.8153.6177.600000111.3S27 F97 Y99 W100S27-A89 PolarHBondContact N-O 2.81Å; S27-A89 PolarHBondContact O-N 3.04Å; A89-F97 HydrophobicContact CB-CB 4.18Å; A89-F97 HydrophobicContact CB-CD1 3.55Å; A89-F97 HydrophobicContact CB-CE1 4.1Å; A89-F97 HydrophobicContact CB-CG 3.87Å; A89-Y99 CarbonylContact C-O 3.55Å; A89-Y99 WeakPolarHBondContact CA-O 3.35Å; A89-W100 HydrophobicContact CB-CD2 4.04Å; A89-W100 HydrophobicContact CB-CE3 3.98Å; A89-W100 HydrophobicContact CB-CH2 4.48Å; A89-W100 HydrophobicContact CB-CZ3 4.2Å
90R95.9Very high92.2Very high16 Ų1665.6 Ų65.66%0.0631%0.313CS..EExtended strand (participates in β ladder)trans-104.9119.9173-171.3-175.379.4175.916.1109.3F19 Y24 M26 F97 D98 Y99F19-R90 VanDerWaalsContact CB-NH1 3.33Å; F19-R90 HydrophobicContact CE2-CG 4.4Å; F19-R90 VanDerWaalsContact CG-NH1 3.31Å; F19-R90 HydrophobicContact CZ-CB 4.5Å; Y24-R90 HydrophobicContact CD1-CG 4.22Å; Y24-R90 HydrophobicContact CG-CG 4.17Å; M26-R90 HydrophobicContact CE-CB 4.46Å; M26-R90 HydrophobicContact SD-CB 4.16Å; M26-R90 HydrophobicContact SD-CG 4.16Å; R90-F97 WeakPolarHBondContact O-CA 3.43Å; R90-D98 IonicContact CZ-OD1 3.92Å; R90-D98 IonicContact CZ-OD2 3.78Å; R90-D98 IonicContact NE-OD1 3.87Å; R90-D98 PolarHBondContact NE-OD1 2.82Å; R90-D98 IonicContact NE-OD2 2.62Å; R90-D98 VanDerWaalsContact NH2-CG 3.28Å; R90-D98 IonicContact NH2-OD1 3.46Å; R90-D98 PolarHBondContact NH2-OD1 3.09Å; R90-D98 IonicContact NH2-OD2 3.38Å; R90-D98 PolarHBondContact NH2-OD2 3.12Å; R90-D98 PolarHBondContact O-N 3.05Å; R90-D98 VanDerWaalsContact O-N 3.16Å; R90-Y99 PolarHBondContact N-O 3.19Å; R90-Y99 VanDerWaalsContact NH2-CD2 3.32Å
91P91.1Very high92.3Very high26 Ų2662.9 Ų62.917%0.16930%0.298CS..EExtended strand (participates in β ladder)trans-71136.616928.7-33000110.5W25 F97W25-P91 HydrophobicContact CB-CG 3.71Å; W25-P91 WeakPolarHBondContact O-CD 3.38Å; P91-F97 HydrophobicContact CB-CD1 4.23Å; P91-F97 HydrophobicContact CB-CE1 4.05Å
92S87.9Confident92.5Very high17 Ų1766.2 Ų66.212%0.11931%0.314CS..  trans-81.9170.5170.785.50000110.3E94 N95 Y96 D98S92-E94 PolarHBondContact O-N 3.37Å; S92-E94 PolarHBondContact OG-N 3.43Å; S92-E94 VanDerWaalsContact OG-N 3.11Å; S92-N95 PolarHBondContact O-N 2.75Å; S92-Y96 WeakPolarHBondContact CB-O 3.23Å; S92-Y96 PolarHBondContact N-O 3.25Å; S92-Y96 PolarHBondContact OG-O 3.03Å; S92-D98 WeakPolarHBondContact CB-OD2 3.33Å
93K80.9Confident92.5Very high204 Ų20467.6 Ų67.689%0.88733%0.328SS*.THydrogen-bonded Turntrans-67.7-14.6173.5-66.1-175.7178.1-178.70113.4
94E83.3Confident92.5Very high139 Ų13968 Ų6865%0.6533%0.331SS*.THydrogen-bonded Turntrans-102.220.3-176-67.2-177.4-178.200112.2S92 Y96S92-E94 PolarHBondContact O-N 3.37Å; S92-E94 PolarHBondContact OG-N 3.43Å; S92-E94 VanDerWaalsContact OG-N 3.11Å; E94-Y96 VanDerWaalsContact C-N 3.34Å; E94-Y96 HydrophobicContact CB-CD1 3.8Å; E94-Y96 HydrophobicContact CB-CE1 3.37Å; E94-Y96 HydrophobicContact CG-CE1 4.33Å; E94-Y96 PolarHBondContact O-N 2.63Å; E94-Y96 VanDerWaalsContact OE2-CE1 3.3Å; E94-Y96 WeakPolarHBondContact OE2-CE1 3.32Å; E94-Y96 PolarHBondContact OE2-OH 3.04Å
95N78.8Confident92.4Very high160 Ų16071 Ų7186%0.85635%0.348SS*.SBendtrans63.827.6175.3-54.3-50000115.5S92S92-N95 PolarHBondContact O-N 2.75Å
96Y87.3Confident92.2Very high123 Ų12368.3 Ų68.348%0.48233%0.334SS..SBendtrans-125.9165.7166.960.7-96.2000111.4S92 E94 D98S92-Y96 WeakPolarHBondContact CB-O 3.23Å; S92-Y96 PolarHBondContact N-O 3.25Å; S92-Y96 PolarHBondContact OG-O 3.03Å; E94-Y96 VanDerWaalsContact C-N 3.34Å; E94-Y96 HydrophobicContact CB-CD1 3.8Å; E94-Y96 HydrophobicContact CB-CE1 3.37Å; E94-Y96 HydrophobicContact CG-CE1 4.33Å; E94-Y96 PolarHBondContact O-N 2.63Å; E94-Y96 VanDerWaalsContact OE2-CE1 3.3Å; E94-Y96 WeakPolarHBondContact OE2-CE1 3.32Å; E94-Y96 PolarHBondContact OE2-OH 3.04Å; Y96-D98 HydrophobicContact CD2-CB 4.34Å; Y96-D98 HydrophobicContact CE2-CB 3.97Å
97F93Very high91.9Very high62 Ų6270.8 Ų70.827%0.27235%0.35SS..EExtended strand (participates in β ladder)trans-89.6114.8177-64-65.6000111S27 V29 W39 A89 R90 P91 W100S27-F97 WeakPolarHBondContact OG-CE1 3.23Å; V29-F97 HydrophobicContact CG2-CE2 4.39Å; V29-F97 HydrophobicContact CG2-CZ 4.46Å; W39-F97 AromaticContact CD1-CZ 3.79Å; A89-F97 HydrophobicContact CB-CB 4.18Å; A89-F97 HydrophobicContact CB-CD1 3.55Å; A89-F97 HydrophobicContact CB-CE1 4.1Å; A89-F97 HydrophobicContact CB-CG 3.87Å; R90-F97 WeakPolarHBondContact O-CA 3.43Å; P91-F97 HydrophobicContact CB-CD1 4.23Å; P91-F97 HydrophobicContact CB-CE1 4.05Å; F97-W100 HydrophobicContact CB-CZ2 3.55Å; F97-W100 VanDerWaalsContact CB-NE1 3.31Å; F97-W100 AromaticContact CD2-CH2 3.92Å; F97-W100 HydrophobicContact CD2-CH2 3.92Å; F97-W100 AromaticContact CD2-CZ2 3.49Å; F97-W100 HydrophobicContact CD2-CZ2 3.49Å; F97-W100 VanDerWaalsContact CD2-CZ2 3.49Å; F97-W100 HydrophobicContact CE2-CZ2 4.47Å; F97-W100 HydrophobicContact CG-CH2 4.39Å; F97-W100 AromaticContact CG-CZ2 3.77Å; F97-W100 HydrophobicContact CG-CZ2 3.77Å; F97-W100 PolarHBondContact O-NE1 3.12Å
98D91.8Very high91.5Very high61 Ų6169.1 Ų69.133%0.32634%0.344SS..EExtended strand (participates in β ladder)trans-95.3-18.8-178.157.9-0.5000113.5R90 S92 Y96R90-D98 IonicContact CZ-OD1 3.92Å; R90-D98 IonicContact CZ-OD2 3.78Å; R90-D98 IonicContact NE-OD1 3.87Å; R90-D98 PolarHBondContact NE-OD1 2.82Å; R90-D98 IonicContact NE-OD2 2.62Å; R90-D98 VanDerWaalsContact NH2-CG 3.28Å; R90-D98 IonicContact NH2-OD1 3.46Å; R90-D98 PolarHBondContact NH2-OD1 3.09Å; R90-D98 IonicContact NH2-OD2 3.38Å; R90-D98 PolarHBondContact NH2-OD2 3.12Å; R90-D98 PolarHBondContact O-N 3.05Å; R90-D98 VanDerWaalsContact O-N 3.16Å; S92-D98 WeakPolarHBondContact CB-OD2 3.33Å; Y96-D98 HydrophobicContact CD2-CB 4.34Å; Y96-D98 HydrophobicContact CE2-CB 3.97Å
99Y93.8Very high90.8Very high108 Ų10871.1 Ų71.142%0.42436%0.358SS..EExtended strand (participates in β ladder)trans-128.5136.3172.4-70.2-108.8000110.6F19 A89 R90F19-Y99 HydrophobicContact CD1-CD1 4.13Å; F19-Y99 HydrophobicContact CD1-CE1 4.26Å; F19-Y99 HydrophobicContact CD1-CG 4.48Å; F19-Y99 HydrophobicContact CE1-CD1 4.23Å; F19-Y99 HydrophobicContact CE1-CG 4.39Å; A89-Y99 CarbonylContact C-O 3.55Å; A89-Y99 WeakPolarHBondContact CA-O 3.35Å; R90-Y99 PolarHBondContact N-O 3.19Å; R90-Y99 VanDerWaalsContact NH2-CD2 3.32Å
100W96.1Very high89.4Confident110 Ų11077.9 Ų77.942%0.41741%0.405SS..EExtended strand (participates in β ladder)trans-127.7136.6176.4-69.782.4000110.3V29 L37 Y87 A89 F97V29-W100 HydrophobicContact CB-CH2 4.3Å; V29-W100 HydrophobicContact CB-CZ3 3.92Å; V29-W100 HydrophobicContact CG1-CH2 4.14Å; V29-W100 HydrophobicContact CG1-CZ3 4.03Å; V29-W100 HydrophobicContact CG2-CH2 4.01Å; V29-W100 HydrophobicContact CG2-CZ3 3.97Å; L37-W100 HydrophobicContact CD1-CH2 3.98Å; Y87-W100 HydrophobicContact CG-CE3 4.28Å; Y87-W100 HydrophobicContact CG-CZ3 4.42Å; A89-W100 HydrophobicContact CB-CD2 4.04Å; A89-W100 HydrophobicContact CB-CE3 3.98Å; A89-W100 HydrophobicContact CB-CH2 4.48Å; A89-W100 HydrophobicContact CB-CZ3 4.2Å; F97-W100 HydrophobicContact CB-CZ2 3.55Å; F97-W100 VanDerWaalsContact CB-NE1 3.31Å; F97-W100 AromaticContact CD2-CH2 3.92Å; F97-W100 HydrophobicContact CD2-CH2 3.92Å; F97-W100 AromaticContact CD2-CZ2 3.49Å; F97-W100 HydrophobicContact CD2-CZ2 3.49Å; F97-W100 VanDerWaalsContact CD2-CZ2 3.49Å; F97-W100 HydrophobicContact CE2-CZ2 4.47Å; F97-W100 HydrophobicContact CG-CH2 4.39Å; F97-W100 AromaticContact CG-CZ2 3.77Å; F97-W100 HydrophobicContact CG-CZ2 3.77Å; F97-W100 PolarHBondContact O-NE1 3.12Å
101G95.1Very high89.1Confident24 Ų2481 Ų8125%0.24742%0.423CS..  trans-69.9160.8166.200000111.3C88 G103C88-G101 PolarHBondContact O-N 2.59Å; G101-G103 PolarHBondContact O-N 2.73Å
102Q93.9Very high89Confident191 Ų19183.9 Ų83.989%0.89344%0.436SS*.  trans-62.1-13.8178.5-66-64.7-32.400113.9
103G93.8Very high89.1Confident30 Ų3087.6 Ų87.631%0.30945%0.454SS..  trans84153.9-176.100000112.6Y86 G101Y86-G103 CarbonylContact O-C 3.59Å; Y86-G103 VanDerWaalsContact O-CA 3.22Å; Y86-G103 WeakPolarHBondContact O-CA 3.49Å; G101-G103 PolarHBondContact O-N 2.73Å
104T94.9Very high89.5Confident41 Ų4180.8 Ų80.825%0.25243%0.428SS..EExtended strand (participates in β ladder)trans-132.9127.8170.7-171.60000109.7L12 Y86L12-T104 HydrophobicContact CD1-CG2 4.04Å; L12-T104 HydrophobicContact CD2-CG2 4.03Å; Y86-T104 PolarHBondContact N-O 3.21Å; Y86-T104 PolarHBondContact O-N 2.93Å
105T94.6Very high89.9Confident66 Ų6677.1 Ų77.141%0.40541%0.414SS..EExtended strand (participates in β ladder)trans-77.7124.9175.2-47.80000109.8G1 G2 L85G1-T105 CarbonylContact C-O 3.49Å; G1-T105 WeakPolarHBondContact CA-O 3.4Å; G2-T105 PolarHBondContact N-O 3.3Å; L85-T105 VanDerWaalsContact CD2-OG1 3.25Å; L85-T105 WeakPolarHBondContact CD2-OG1 3.47Å
106L93.1Very high90.7Very high2 Ų271.6 Ų71.61%0.0139%0.385CS..EExtended strand (participates in β ladder)trans-105.9127.3165.1175.560000108.3V4 L10 M75 T83 A84 Y86 V108V4-L106 HydrophobicContact CB-CD1 4.4Å; V4-L106 HydrophobicContact CG2-CD1 3.76Å; L10-L106 HydrophobicContact CD2-CD1 3.49Å; L10-L106 VanDerWaalsContact CD2-CD1 3.49Å; L10-L106 HydrophobicContact CD2-CD2 4.08Å; L10-L106 HydrophobicContact CD2-CG 4.38Å; M75-L106 HydrophobicContact CE-CD2 3.56Å; M75-L106 HydrophobicContact SD-CD2 3.81Å; T83-L106 WeakPolarHBondContact CA-O 3.47Å; A84-L106 PolarHBondContact N-O 3.14Å; A84-L106 VanDerWaalsContact N-O 3.14Å; A84-L106 PolarHBondContact O-N 2.97Å; Y86-L106 HydrophobicContact CD2-CB 3.95Å; Y86-L106 HydrophobicContact CE2-CB 3.8Å; Y86-L106 HydrophobicContact CE2-CD2 3.92Å; Y86-L106 HydrophobicContact CE2-CG 4.45Å; L106-V108 HydrophobicContact CD1-CG2 4.37Å; L106-V108 HydrophobicContact CD2-CG2 4.39Å; L106-V108 HydrophobicContact CG-CG2 4.14Å
107T92.6Very high90.9Very high55 Ų5567.9 Ų67.934%0.33738%0.378SS..EExtended strand (participates in β ladder)trans-119.1125.1173.3-56.10000108.9G2 L3 V4 T83G2-T107 PolarHBondContact O-N 3.47Å; G2-T107 VanDerWaalsContact O-N 3.13Å; L3-T107 WeakPolarHBondContact CA-O 3.3Å; L3-T107 HydrophobicContact CD1-CG2 3.86Å; V4-T107 PolarHBondContact N-O 3.4Å; T83-T107 HydrophobicContact CG2-CG2 4.42Å
108V89.2Confident90.7Very high6 Ų668.4 Ų68.44%0.03639%0.386CS..EExtended strand (participates in β ladder)trans-114.1107.1176.6-175.20000108.2V4 P6 V78 R79 D82 T83 L106V4-V108 WeakPolarHBondContact O-CA 3.03Å; P6-V108 HydrophobicContact CB-CG1 4.36Å; P6-V108 HydrophobicContact CG-CG1 4.03Å; V78-V108 HydrophobicContact CB-CG2 4.17Å; V78-V108 HydrophobicContact CG2-CG1 4.2Å; V78-V108 HydrophobicContact CG2-CG2 4.21Å; R79-V108 VanDerWaalsContact C-CG1 3.46Å; R79-V108 WeakPolarHBondContact O-CB 3.21Å; R79-V108 WeakPolarHBondContact O-CG1 3.3Å; D82-V108 HydrophobicContact CB-CG2 4.46Å; T83-V108 PolarHBondContact OG1-N 3.05Å; L106-V108 HydrophobicContact CD1-CG2 4.37Å; L106-V108 HydrophobicContact CD2-CG2 4.39Å; L106-V108 HydrophobicContact CG-CG2 4.14Å
109S83.1Confident90.7Very high50 Ų5069 Ų6935%0.3539%0.391SS..  trans-129.3140.6179.764.90000110.3L3 Q5 P6L3-S109 VanDerWaalsContact CD1-OG 3.3Å; L3-S109 WeakPolarHBondContact CD1-OG 3.24Å; Q5-S109 PolarHBondContact OE1-O 3.01Å; P6-S109 WeakPolarHBondContact CD-O 3.24Å
110S67.9Low90.4Very high145 Ų14565.5 Ų65.5100%1.01439%0.388SS*.  trans-68.20167.355.50000111.3Q5Q5-S110 PolarHBondContact NE2-OXT 3.03Å; Q5-S110 PolarHBondContact OE1-OXT 3.43Å

Retrieved 110 of 110 residues in 33.7 ms (Link to these results)

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