A0A087X555_POEFO Loading...

OX-2 membrane glycoprotein-like

AlphaFold DB , UniProt , Accession A0A087X555, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 157 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
1T40.5Very low55.8Low173 Ų173173.1 Ų173.1100%1.06180%0.803SS**  0107.90-49.80000108.5Y3T1-Y3 HydrophobicContact CG2-CE2 4.42Å
2F43.4Very low56.2Low211 Ų211166.8 Ų166.893%0.92580%0.803SS**  trans-92.9118.4-179.8-82.7-92.1000109.2
3Y45.3Very low56.4Low224 Ų224165 Ų16588%0.87881%0.809SS**  trans-82.6111.4169.8-85.6-98.3000108.4T1T1-Y3 HydrophobicContact CG2-CE2 4.42Å
4Q58Low56.9Low169 Ų169159.5 Ų159.579%0.7980%0.803SS**  trans-84.9116.9164.8-91-156.9-11.200109.3
5M59.8Low58Low178 Ų178153.5 Ų153.588%0.87779%0.788SS**  trans-83.5110.7168.2-165.1170.3-172.800108.3
6R69.8Low60Low187 Ų187146.9 Ų146.971%0.70676%0.756SS**  trans-87.5110.5173.4-74.5-171.7171.8-167.1-1.9109.1F8R6-F8 HydrophobicContact CB-CD2 4.38Å; R6-F8 HydrophobicContact CB-CE2 3.87Å; R6-F8 HydrophobicContact CB-CZ 4.42Å
7I66.4Low62.1Low120 Ų120139.2 Ų139.262%0.61572%0.717SS**  trans-84.4113.3171.3-58.5174.8000107.2F9I7-F9 HydrophobicContact CB-CE2 4.28Å; I7-F9 HydrophobicContact CG2-CD2 4.03Å; I7-F9 HydrophobicContact CG2-CE1 4.45Å; I7-F9 HydrophobicContact CG2-CE2 3.58Å; I7-F9 HydrophobicContact CG2-CZ 3.83Å
8F62.8Low64Low140 Ų140137.6 Ų137.661%0.61471%0.705SS**  trans-89111.1173.4-71.9-89.3000108.8R6 Y10R6-F8 HydrophobicContact CB-CD2 4.38Å; R6-F8 HydrophobicContact CB-CE2 3.87Å; R6-F8 HydrophobicContact CB-CZ 4.42Å; F8-Y10 HydrophobicContact CB-CD2 4.42Å; F8-Y10 HydrophobicContact CB-CE2 3.84Å; F8-Y10 PolarHBondContact O-N 3.19Å
9F55.2Low65.7Low188 Ų188132.1 Ų132.183%0.82568%0.679SS**  trans-85.5104.4169-70.9-84.8000108.4I7I7-F9 HydrophobicContact CB-CE2 4.28Å; I7-F9 HydrophobicContact CG2-CD2 4.03Å; I7-F9 HydrophobicContact CG2-CE1 4.45Å; I7-F9 HydrophobicContact CG2-CE2 3.58Å; I7-F9 HydrophobicContact CG2-CZ 3.83Å
10Y56.7Low67.1Low192 Ų192128.5 Ų128.575%0.75366%0.659SS**PPolyproline II helixtrans-79.1138.7167.1-65.3-84.8000108.8F8 A12F8-Y10 HydrophobicContact CB-CD2 4.42Å; F8-Y10 HydrophobicContact CB-CE2 3.84Å; F8-Y10 PolarHBondContact O-N 3.19Å; Y10-A12 PolarHBondContact O-N 3.46Å
11P55.7Low68.4Low122 Ų122130.5 Ų130.579%0.79267%0.666SS**PPolyproline II helixtrans-59.7123.6172.224.2-30.9000108.8V13P11-V13 PolarHBondContact O-N 3.33Å
12A60.9Low71Confident97 Ų97127 Ų12780%0.80264%0.639SS**PPolyproline II helixtrans-68.2121.6172.100000108.1Y10 A14Y10-A12 PolarHBondContact O-N 3.46Å; A12-A14 PolarHBondContact O-N 3.16Å
13V58.5Low73.6Confident144 Ų144117.9 Ų117.987%0.87360%0.6SS**PPolyproline II helixtrans-65.4118.4168.8-177.60000106.6P11 A15P11-V13 PolarHBondContact O-N 3.33Å; V13-A15 PolarHBondContact O-N 3.03Å
14A63.2Low75.9Confident88 Ų88110.3 Ų110.373%0.72758%0.58SS**PPolyproline II helixtrans-63.5128.5174.900000109A12A12-A14 PolarHBondContact O-N 3.16Å
15A73.5Confident77.7Confident70 Ų70102.3 Ų102.358%0.57954%0.543SS*.PPolyproline II helixtrans-72.9131.717600000109.6V13 I17 L38V13-A15 PolarHBondContact O-N 3.03Å; A15-I17 VanDerWaalsContact C-N 3.32Å; A15-L38 WeakPolarHBondContact O-CD1 3.36Å
16V90.6Very high79.3Confident47 Ų4794.5 Ų94.529%0.28551%0.507SS..SBendtrans-74.4-26.9-179.9-177.30000111.7L37 L38 E39 L115V16-L37 HydrophobicContact CG1-CD1 3.91Å; V16-L38 PolarHBondContact O-N 2.75Å; V16-E39 HydrophobicContact CG1-CB 4.44Å; V16-E39 HydrophobicContact CG1-CG 4.22Å; V16-L115 HydrophobicContact CG1-CD1 3.79Å; V16-L115 HydrophobicContact CG1-CD2 4.48Å
17I95.1Very high80.5Confident17 Ų1788.4 Ų88.49%0.08749%0.49CS..EExtended strand (participates in β ladder)trans-117.7128.6176.4-66.2164.6000108.9A15 Q36 L37 F107 L115 T116A15-I17 VanDerWaalsContact C-N 3.32Å; I17-Q36 CarbonylContact C-O 3.51Å; I17-Q36 WeakPolarHBondContact CA-O 3.16Å; I17-L37 HydrophobicContact CD1-CD1 4.42Å; I17-L37 HydrophobicContact CG1-CD1 3.69Å; I17-F107 HydrophobicContact CD1-CD2 3.6Å; I17-F107 HydrophobicContact CD1-CE2 4.17Å; I17-F107 HydrophobicContact CG1-CD2 4.04Å; I17-F107 HydrophobicContact CG1-CE2 4.27Å; I17-F107 HydrophobicContact CG2-CE2 4.21Å; I17-L115 HydrophobicContact CD1-CB 3.64Å; I17-L115 VanDerWaalsContact CD1-O 3.28Å; I17-L115 WeakPolarHBondContact CD1-O 3.33Å; I17-L115 HydrophobicContact CG1-CB 4.41Å; I17-T116 VanDerWaalsContact CD1-C 3.46Å
18Q96.5Very high81.9Confident109 Ų10984.6 Ų84.651%0.50948%0.481SS..EExtended strand (participates in β ladder)trans-90.9129170.7-177.6172.42.700110Q36 L38Q18-Q36 HydrophobicContact CB-CB 4.36Å; Q18-Q36 PolarHBondContact N-O 3.22Å; Q18-Q36 PolarHBondContact O-N 2.78Å; Q18-L38 HydrophobicContact CB-CD1 4.14Å; Q18-L38 HydrophobicContact CB-CD2 3.85Å; Q18-L38 HydrophobicContact CB-CG 4.03Å
19T96.1Very high83.4Confident34 Ų3482.3 Ų82.321%0.20947%0.472CS..EExtended strand (participates in β ladder)trans-157.4164.5177.5-1740000110.1Q21 S34 R118 T119T19-Q21 PolarHBondContact O-N 2.86Å; T19-S34 WeakPolarHBondContact CA-O 3.47Å; T19-S34 WeakPolarHBondContact CB-O 3.34Å; T19-S34 PolarHBondContact OG1-O 3.37Å; T19-R118 WeakPolarHBondContact CG2-O 3.39Å; T19-T119 PolarHBondContact OG1-OG1 2.85Å
20Q95Very high85.5Confident60 Ų6077.6 Ų77.628%0.2846%0.455SS..  trans-70.6126.5167.6-51.497.7-33.700109.4V23 S34 T119Q20-V23 HydrophobicContact CB-CG2 3.51Å; Q20-V23 HydrophobicContact CG-CG2 3.94Å; Q20-S34 VanDerWaalsContact CD-OG 3.29Å; Q20-S34 PolarHBondContact NE2-OG 3Å; Q20-S34 PolarHBondContact OE1-O 3.02Å; Q20-S34 PolarHBondContact OE1-OG 3.31Å; Q20-S34 VanDerWaalsContact OE1-OG 3.08Å; Q20-T119 HydrophobicContact CB-CG2 4.22Å; Q20-T119 VanDerWaalsContact O-CA 3.27Å; Q20-T119 WeakPolarHBondContact O-CA 3.37Å; Q20-T119 VanDerWaalsContact O-CB 3.23Å; Q20-T119 WeakPolarHBondContact O-CB 3.41Å; Q20-T119 WeakPolarHBondContact O-CG2 3.36Å; Q20-T119 PolarHBondContact O-OG1 3.23Å
21Q92.7Very high87.4Confident171 Ų17168.8 Ų68.880%0.79942%0.421SS*.SBendtrans-67.8-41.3174.7-70.4-174.4-8.200111.5T19 C120T19-Q21 PolarHBondContact O-N 2.86Å; Q21-C120 PolarHBondContact O-N 2.9Å
22M96.2Very high89.4Confident99 Ų9966.5 Ų66.549%0.48841%0.407SS..EExtended strand (participates in β ladder)trans-139.1131.5-179.2-166.1174.8105.900109.8C120 K122M22-C120 CarbonylContact C-O 3.58Å; M22-C120 VanDerWaalsContact CA-O 3.32Å; M22-C120 WeakPolarHBondContact CA-O 3.41Å; M22-K122 HydrophobicContact CE-CD 3.63Å; M22-K122 HydrophobicContact CE-CG 4.41Å; M22-K122 HydrophobicContact CG-CD 4.35Å; M22-K122 HydrophobicContact CG-CG 4.3Å; M22-K122 HydrophobicContact SD-CD 3.63Å; M22-K122 WeakPolarHBondContact SD-CE 3.38Å; M22-K122 HydrophobicContact SD-CG 4.2Å; M22-K122 PolarHBondContact SD-NZ 2.98Å
23V96.8Very high91.2Very high19 Ų1961.9 Ų61.912%0.11537%0.368CS..EExtended strand (participates in β ladder)trans-121.8140.8175.6178.20000107.5Q20 T31 L33 T119 C120 L121 K122Q20-V23 HydrophobicContact CB-CG2 3.51Å; Q20-V23 HydrophobicContact CG-CG2 3.94Å; V23-T31 VanDerWaalsContact CG1-OG1 3.23Å; V23-T31 WeakPolarHBondContact CG1-OG1 3.24Å; V23-L33 HydrophobicContact CB-CD2 4.19Å; V23-L33 HydrophobicContact CG1-CD2 4.33Å; V23-L33 HydrophobicContact CG2-CD2 4.01Å; V23-T119 HydrophobicContact CB-CG2 4.32Å; V23-T119 HydrophobicContact CG2-CG2 3.6Å; V23-C120 PolarHBondContact N-O 3.46Å; V23-L121 HydrophobicContact CB-CD1 4.33Å; V23-L121 HydrophobicContact CG1-CD1 4.12Å; V23-L121 CarbonylContact O-C 3.54Å; V23-L121 WeakPolarHBondContact O-CA 3.22Å; V23-K122 PolarHBondContact O-N 3.5Å
24S95.4Very high93Very high65 Ų6557.1 Ų57.146%0.45534%0.341SS..EExtended strand (participates in β ladder)trans-118136.6175.6-610000109.1K122S24-K122 CarbonylContact C-O 3.49Å; S24-K122 VanDerWaalsContact CA-O 3.25Å; S24-K122 WeakPolarHBondContact CA-O 3.23Å
25A95.6Very high94.6Very high1 Ų153 Ų531%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-138.7142.1175.900000110.7T31 V95 L121 K122 V123 Y124A25-T31 HydrophobicContact CB-CG2 4.11Å; A25-V95 HydrophobicContact CB-CB 4.41Å; A25-V95 HydrophobicContact CB-CG1 4.2Å; A25-V95 HydrophobicContact CB-CG2 4.08Å; A25-L121 HydrophobicContact CB-CD1 3.94Å; A25-K122 PolarHBondContact N-O 2.85Å; A25-V123 WeakPolarHBondContact O-CA 3.41Å; A25-Y124 VanDerWaalsContact O-CD1 3.22Å; A25-Y124 WeakPolarHBondContact O-CD1 3.28Å; A25-Y124 WeakPolarHBondContact O-CE1 3.44Å; A25-Y124 PolarHBondContact O-N 3.32Å
26A93.7Very high95.8Very high15 Ų1553.4 Ų53.412%0.12430%0.297CS..EExtended strand (participates in β ladder)trans-74.4152.2171.100000110G28 E29 Y124A26-G28 PolarHBondContact O-N 2.64Å; A26-E29 HydrophobicContact CB-CG 3.93Å; A26-E29 WeakPolarHBondContact CB-OE2 3.46Å; A26-E29 PolarHBondContact N-OE2 2.85Å; A26-E29 WeakPolarHBondContact O-CB 3.47Å; A26-E29 PolarHBondContact O-N 2.87Å; A26-E29 VanDerWaalsContact O-N 3.09Å; A26-Y124 CarbonylContact C-O 3.59Å; A26-Y124 VanDerWaalsContact CA-O 3.24Å; A26-Y124 WeakPolarHBondContact CA-O 3.21Å; A26-Y124 HydrophobicContact CB-CD2 4.13Å; A26-Y124 HydrophobicContact CB-CE1 4.46Å; A26-Y124 HydrophobicContact CB-CE2 3.61Å
27V94.8Very high96.1Very high58 Ų5851.2 Ų51.235%0.35228%0.284SS..THydrogen-bonded Turntrans-57131.7170.1173.80000109.7V95 V123 Y124 E125V27-V95 CarbonylContact C-O 3.54Å; V27-V95 WeakPolarHBondContact CA-O 3.47Å; V27-V123 HydrophobicContact CG2-CG1 3.47Å; V27-V123 VanDerWaalsContact CG2-CG1 3.47Å; V27-Y124 PolarHBondContact N-O 3.09Å; V27-E125 HydrophobicContact CB-CG 4Å; V27-E125 HydrophobicContact CG2-CG 3.4Å
28G94.7Very high96.2Very high41 Ų4154.7 Ų54.742%0.42330%0.302SS..THydrogen-bonded Turntrans93.1-15.3-176.600000115.2A26 N94 V95A26-G28 PolarHBondContact O-N 2.64Å; G28-N94 WeakPolarHBondContact CA-OD1 3.44Å; G28-V95 PolarHBondContact N-O 3.34Å
29E95.8Very high96Very high91 Ų9153.7 Ų53.743%0.42530%0.298SS..  trans-79.6159.4178.6-69.8-175.6151.100112.5A26 N94 V95A26-E29 HydrophobicContact CB-CG 3.93Å; A26-E29 WeakPolarHBondContact CB-OE2 3.46Å; A26-E29 PolarHBondContact N-OE2 2.85Å; A26-E29 WeakPolarHBondContact O-CB 3.47Å; A26-E29 PolarHBondContact O-N 2.87Å; A26-E29 VanDerWaalsContact O-N 3.09Å; E29-N94 PolarHBondContact O-N 3.4Å; E29-V95 WeakPolarHBondContact O-CB 3.46Å; E29-V95 VanDerWaalsContact O-CG2 3.23Å; E29-V95 WeakPolarHBondContact O-CG2 3.44Å; E29-V95 PolarHBondContact O-N 2.85Å
30D97.8Very high95.9Very high90 Ų9058.5 Ų58.548%0.48133%0.327SS..  trans-93.8133.1166.5-72.70.3000108.7V91 I92 R93 N94D30-V91 HydrophobicContact CB-CG2 3.94Å; D30-I92 WeakPolarHBondContact CA-O 3.49Å; D30-R93 WeakPolarHBondContact OD1-CA 3.32Å; D30-N94 PolarHBondContact OD1-N 3.03Å
31T97.3Very high95.8Very high6 Ų658.8 Ų58.84%0.03733%0.328CS..EExtended strand (participates in β ladder)trans-126.5120.8-176.6-165.80000112.3V23 A25 V91 I92 V95 L121V23-T31 VanDerWaalsContact CG1-OG1 3.23Å; V23-T31 WeakPolarHBondContact CG1-OG1 3.24Å; A25-T31 HydrophobicContact CB-CG2 4.11Å; T31-V91 WeakPolarHBondContact O-CA 3.24Å; T31-I92 HydrophobicContact CG2-CB 3.92Å; T31-I92 HydrophobicContact CG2-CD1 4.37Å; T31-I92 PolarHBondContact N-O 3.2Å; T31-I92 PolarHBondContact O-N 3.43Å; T31-V95 HydrophobicContact CG2-CG2 3.51Å; T31-L121 HydrophobicContact CG2-CD1 3.86Å; T31-L121 HydrophobicContact CG2-CD2 3.83Å
32P97.4Very high96Very high74 Ų7455.1 Ų55.148%0.48131%0.313SS..EExtended strand (participates in β ladder)trans-83.4135.9177.632.4-32.7000111.4I90P32-I90 CarbonylContact C-O 3.54Å; P32-I90 WeakPolarHBondContact CA-O 3.39Å
33L98.2Very high96.1Very high0 Ų050.8 Ų50.80%029%0.292CS..EExtended strand (participates in β ladder)trans-113.5124.6168.6-51.2-173.1000108.1V23 W48 S89 I90 I92 Y103 T119V23-L33 HydrophobicContact CB-CD2 4.19Å; V23-L33 HydrophobicContact CG1-CD2 4.33Å; V23-L33 HydrophobicContact CG2-CD2 4.01Å; L33-W48 HydrophobicContact CB-CH2 3.93Å; L33-W48 HydrophobicContact CB-CZ3 4.1Å; L33-W48 HydrophobicContact CD1-CZ3 4.38Å; L33-S89 VanDerWaalsContact O-CA 3.31Å; L33-S89 WeakPolarHBondContact O-CA 2.97Å; L33-I90 HydrophobicContact CB-CG1 4.04Å; L33-I90 HydrophobicContact CD1-CD1 4.39Å; L33-I90 PolarHBondContact N-O 3.23Å; L33-I90 PolarHBondContact O-N 2.9Å; L33-I92 HydrophobicContact CD1-CD1 3.7Å; L33-I92 HydrophobicContact CG-CD1 4.21Å; L33-Y103 HydrophobicContact CD1-CD1 4.02Å; L33-Y103 HydrophobicContact CD1-CD2 3.89Å; L33-Y103 HydrophobicContact CD1-CG 3.59Å; L33-T119 HydrophobicContact CD2-CG2 3.82Å
34S97.6Very high96.1Very high44 Ų4454.9 Ų54.931%0.30831%0.31SS..EExtended strand (participates in β ladder)trans-113.8143.3-178.1630000111.8T19 Q20 S89T19-S34 WeakPolarHBondContact CA-O 3.47Å; T19-S34 WeakPolarHBondContact CB-O 3.34Å; T19-S34 PolarHBondContact OG1-O 3.37Å; Q20-S34 VanDerWaalsContact CD-OG 3.29Å; Q20-S34 PolarHBondContact NE2-OG 3Å; Q20-S34 PolarHBondContact OE1-O 3.02Å; Q20-S34 PolarHBondContact OE1-OG 3.31Å; Q20-S34 VanDerWaalsContact OE1-OG 3.08Å; S34-S89 WeakPolarHBondContact CA-OG 3.37Å; S34-S89 WeakPolarHBondContact CB-OG 3.45Å
35C97.1Very high96.2Very high2 Ų254.7 Ų54.71%0.01430%0.302CS..EExtended strand (participates in β ladder)trans-136.6129172.8-78.50000110.9W48 N88 C105 F107C35-W48 HydrophobicContact CB-CH2 4.22Å; C35-W48 HydrophobicContact CB-CZ2 4.12Å; C35-W48 VanDerWaalsContact SG-CH2 3.55Å; C35-N88 WeakPolarHBondContact CA-O 3.34Å; C35-N88 WeakPolarHBondContact CB-O 3.37Å; C35-N88 PolarHBondContact N-O 3.17Å; C35-N88 PolarHBondContact O-N 3.02Å; C35-C105 HydrophobicContact CB-CB 3.6Å; C35-C105 WeakPolarHBondContact CB-SG 3.49Å; C35-C105 WeakPolarHBondContact SG-CB 3.3Å; C35-C105 CovalentContact SG-SG 2.01Å; C35-C105 PolarHBondContact SG-SG 3.01Å; C35-F107 HydrophobicContact CB-CE2 4.06Å; C35-F107 HydrophobicContact CB-CZ 4.34Å
36Q97.8Very high96.4Very high79 Ų7954.6 Ų54.637%0.36930%0.302SS..EExtended strand (participates in β ladder)trans-129.9125.9178.3173.7173.814.700109.3I17 Q18 L38 Q86 N87I17-Q36 CarbonylContact C-O 3.51Å; I17-Q36 WeakPolarHBondContact CA-O 3.16Å; Q18-Q36 HydrophobicContact CB-CB 4.36Å; Q18-Q36 PolarHBondContact N-O 3.22Å; Q18-Q36 PolarHBondContact O-N 2.78Å; Q36-L38 HydrophobicContact CG-CD2 4.19Å; Q36-Q86 WeakPolarHBondContact CA-O 3.35Å; Q36-N87 WeakPolarHBondContact CG-OD1 3.35Å
37L96.8Very high96.6Very high0 Ų054.5 Ų54.50%030%0.3CS..EExtended strand (participates in β ladder)trans-76.7128.8168.5-170.665.7000108.5V16 I17 E39 K41 V43 Q86 F107 L115V16-L37 HydrophobicContact CG1-CD1 3.91Å; I17-L37 HydrophobicContact CD1-CD1 4.42Å; I17-L37 HydrophobicContact CG1-CD1 3.69Å; L37-E39 WeakPolarHBondContact CD2-O 3.35Å; L37-E39 WeakPolarHBondContact CG-O 3.2Å; L37-K41 HydrophobicContact CD2-CB 3.94Å; L37-K41 HydrophobicContact CD2-CG 4.04Å; L37-V43 HydrophobicContact CD2-CG2 3.59Å; L37-Q86 PolarHBondContact N-O 2.74Å; L37-Q86 PolarHBondContact O-NE2 2.92Å; L37-F107 HydrophobicContact CB-CD1 3.97Å; L37-F107 HydrophobicContact CB-CE1 3.84Å; L37-F107 HydrophobicContact CB-CE2 4.4Å; L37-F107 HydrophobicContact CB-CG 4.34Å; L37-F107 HydrophobicContact CB-CZ 4.06Å; L37-F107 HydrophobicContact CD1-CG 4.44Å; L37-F107 HydrophobicContact CD2-CD1 4.19Å; L37-F107 HydrophobicContact CD2-CG 4.47Å; L37-L115 HydrophobicContact CD1-CD1 3.71Å
38L96.2Very high96.8Very high91 Ų9151.8 Ų51.848%0.47628%0.283SS..  trans-90-20.4-177.9-64-174.1000113.1A15 V16 Q18 Q36A15-L38 WeakPolarHBondContact O-CD1 3.36Å; V16-L38 PolarHBondContact O-N 2.75Å; Q18-L38 HydrophobicContact CB-CD1 4.14Å; Q18-L38 HydrophobicContact CB-CD2 3.85Å; Q18-L38 HydrophobicContact CB-CG 4.03Å; Q36-L38 HydrophobicContact CG-CD2 4.19Å
39E93.1Very high97Very high88 Ų8851.4 Ų51.441%0.41127%0.27SS..SBendtrans-102.5151.7178.4-64.9-177.1-171.100110.8V16 L37 K41 Q86V16-E39 HydrophobicContact CG1-CB 4.44Å; V16-E39 HydrophobicContact CG1-CG 4.22Å; L37-E39 WeakPolarHBondContact CD2-O 3.35Å; L37-E39 WeakPolarHBondContact CG-O 3.2Å; E39-K41 HydrophobicContact CB-CG 4.4Å; E39-K41 PolarHBondContact O-N 2.93Å; E39-K41 WeakPolarHBondContact OE2-CE 3.4Å; E39-K41 IonicContact OE2-NZ 2.75Å; E39-Q86 PolarHBondContact O-NE2 3.04Å
40T93.3Very high97.1Very high135 Ų13548 Ų4883%0.82825%0.254SS*.  trans-78.1116168.5-52.70000108.8
41K94.6Very high97.1Very high66 Ų6645.8 Ų45.829%0.28724%0.244SC..  trans-131157.9176.4-62.2-68.5-173.9170.20110L37 E39 V43 T109 D112 L115L37-K41 HydrophobicContact CD2-CB 3.94Å; L37-K41 HydrophobicContact CD2-CG 4.04Å; E39-K41 HydrophobicContact CB-CG 4.4Å; E39-K41 PolarHBondContact O-N 2.93Å; E39-K41 WeakPolarHBondContact OE2-CE 3.4Å; E39-K41 IonicContact OE2-NZ 2.75Å; K41-V43 VanDerWaalsContact C-N 3.31Å; K41-V43 HydrophobicContact CB-CG2 4.2Å; K41-V43 PolarHBondContact O-N 3.4Å; K41-T109 HydrophobicContact CB-CG2 3.68Å; K41-T109 HydrophobicContact CG-CG2 4.3Å; K41-D112 IonicContact NZ-OD2 2.66Å; K41-D112 PolarHBondContact NZ-OD2 2.86Å; K41-L115 HydrophobicContact CG-CD1 4.11Å
42D95.9Very high96.9Very high93 Ų9349 Ų4950%0.49726%0.26SS..  trans-79.782.4170.9-175.919.9000109.6Q44 T109 Y110D42-Q44 PolarHBondContact OD1-NE2 2.97Å; D42-Q44 PolarHBondContact OD2-NE2 2.85Å; D42-T109 VanDerWaalsContact O-CA 3.24Å; D42-T109 WeakPolarHBondContact O-CA 3.25Å; D42-Y110 PolarHBondContact O-N 3.16Å
43V97.7Very high96.5Very high8 Ų854.7 Ų54.75%0.04828%0.28CS..EExtended strand (participates in β ladder)trans-83.9120.9-178-175.10000109.1L37 K41 V46 L85 F107 T109L37-V43 HydrophobicContact CD2-CG2 3.59Å; K41-V43 VanDerWaalsContact C-N 3.31Å; K41-V43 HydrophobicContact CB-CG2 4.2Å; K41-V43 PolarHBondContact O-N 3.4Å; V43-V46 HydrophobicContact CG1-CG2 4.17Å; V43-L85 HydrophobicContact CB-CB 4.13Å; V43-L85 HydrophobicContact CB-CD2 4.37Å; V43-L85 HydrophobicContact CG1-CB 4.3Å; V43-L85 HydrophobicContact CG1-CD2 3.93Å; V43-L85 VanDerWaalsContact O-CD1 3.3Å; V43-L85 WeakPolarHBondContact O-CD1 3.32Å; V43-F107 HydrophobicContact CG1-CB 4.21Å; V43-F107 HydrophobicContact CG1-CD1 4.03Å; V43-F107 HydrophobicContact CG2-CB 4.47Å; V43-F107 HydrophobicContact CG2-CD1 4.21Å; V43-T109 HydrophobicContact CB-CG2 4.45Å; V43-T109 HydrophobicContact CG2-CG2 3.84Å
44Q97.5Very high96Very high106 Ų10663.9 Ų63.950%0.49532%0.32SS..EExtended strand (participates in β ladder)trans-87.7-35.6178.7-58.2-59.2-48.700112.2D42 N108D42-Q44 PolarHBondContact OD1-NE2 2.97Å; D42-Q44 PolarHBondContact OD2-NE2 2.85Å; Q44-N108 PolarHBondContact N-O 2.93Å
45Q98.3Very high95.8Very high60 Ų6065.6 Ų65.628%0.2833%0.329SS..EExtended strand (participates in β ladder)trans-160.3142.3-176.6-176.4174.1-72.100111.1T47 Y62 N108Q45-T47 PolarHBondContact NE2-OG1 2.87Å; Q45-T47 VanDerWaalsContact NE2-OG1 3.11Å; Q45-Y62 CarbonylContact C-O 3.42Å; Q45-Y62 WeakPolarHBondContact CA-O 3.38Å; Q45-Y62 WeakPolarHBondContact CG-O 3.46Å; Q45-N108 WeakPolarHBondContact O-CB 3.36Å; Q45-N108 PolarHBondContact O-N 3.21Å; Q45-N108 PolarHBondContact O-ND2 3.24Å
46V98.6Very high95.7Very high0 Ų070.7 Ų70.70%035%0.353CS..EExtended strand (participates in β ladder)trans-101.2128.8167.3-171.90000109.5V43 S61 Y62 L85 N88 L106 F107V43-V46 HydrophobicContact CG1-CG2 4.17Å; V46-S61 CarbonylContact O-C 3.58Å; V46-S61 WeakPolarHBondContact O-CA 3.27Å; V46-S61 WeakPolarHBondContact O-CB 3.11Å; V46-Y62 PolarHBondContact N-O 3.48Å; V46-Y62 PolarHBondContact O-N 2.77Å; V46-L85 HydrophobicContact CG2-CD2 4.42Å; V46-N88 HydrophobicContact CB-CB 4.3Å; V46-N88 HydrophobicContact CG1-CB 3.76Å; V46-N88 HydrophobicContact CG2-CB 4.35Å; V46-L106 CarbonylContact C-O 3.51Å; V46-L106 VanDerWaalsContact CA-O 3.27Å; V46-L106 WeakPolarHBondContact CA-O 3.43Å; V46-F107 HydrophobicContact CG1-CE1 4.45Å; V46-F107 HydrophobicContact CG1-CZ 4.49Å; V46-F107 HydrophobicContact CG2-CD1 3.62Å; V46-F107 HydrophobicContact CG2-CE1 3.71Å; V46-F107 HydrophobicContact CG2-CG 4.33Å
47T98.6Very high95.7Very high13 Ų1373.1 Ų73.18%0.0836%0.359CS..EExtended strand (participates in β ladder)trans-122.4132.8-179.1-54.20000110.7Q45 Q49 L106 N108Q45-T47 PolarHBondContact NE2-OG1 2.87Å; Q45-T47 VanDerWaalsContact NE2-OG1 3.11Å; T47-Q49 HydrophobicContact CG2-CG 4.34Å; T47-L106 PolarHBondContact N-O 3.39Å; T47-L106 WeakPolarHBondContact O-CD1 3.26Å; T47-L106 PolarHBondContact O-N 2.97Å; T47-N108 PolarHBondContact OG1-ND2 2.86Å; T47-N108 VanDerWaalsContact OG1-ND2 3.14Å
48W98.6Very high95.7Very high0 Ų076.8 Ų76.80%038%0.378CS..EExtended strand (participates in β ladder)trans-99.5135.6172.9-76.992.3000111L33 C35 I59 G60 F80 N88 I90 L104 C105L33-W48 HydrophobicContact CB-CH2 3.93Å; L33-W48 HydrophobicContact CB-CZ3 4.1Å; L33-W48 HydrophobicContact CD1-CZ3 4.38Å; C35-W48 HydrophobicContact CB-CH2 4.22Å; C35-W48 HydrophobicContact CB-CZ2 4.12Å; C35-W48 VanDerWaalsContact SG-CH2 3.55Å; W48-I59 HydrophobicContact CB-CB 4Å; W48-I59 HydrophobicContact CB-CD1 4.3Å; W48-I59 HydrophobicContact CB-CG2 4.48Å; W48-I59 WeakPolarHBondContact O-CB 3.41Å; W48-I59 PolarHBondContact O-N 2.86Å; W48-G60 PolarHBondContact N-O 2.81Å; W48-F80 AromaticContact CD1-CE1 3.66Å; W48-F80 AromaticContact NE1-CE1 3.92Å; W48-N88 PolarHBondContact NE1-OD1 2.82Å; W48-I90 HydrophobicContact CD2-CD1 3.63Å; W48-I90 HydrophobicContact CD2-CG1 3.98Å; W48-I90 HydrophobicContact CD2-CG2 4.15Å; W48-I90 HydrophobicContact CE3-CD1 3.56Å; W48-I90 HydrophobicContact CE3-CG1 4.07Å; W48-I90 HydrophobicContact CG-CD1 4.08Å; W48-I90 HydrophobicContact CG-CG2 4.12Å; W48-I90 HydrophobicContact CH2-CD1 4.4Å; W48-I90 HydrophobicContact CH2-CG1 4.02Å; W48-I90 HydrophobicContact CZ2-CD1 4.49Å; W48-I90 HydrophobicContact CZ2-CG1 3.95Å; W48-I90 HydrophobicContact CZ2-CG2 4.33Å; W48-I90 HydrophobicContact CZ3-CD1 3.97Å; W48-I90 HydrophobicContact CZ3-CG1 4.08Å; W48-L104 CarbonylContact C-O 3.48Å; W48-L104 WeakPolarHBondContact CA-O 3.41Å; W48-C105 HydrophobicContact CD2-CB 4.08Å; W48-C105 HydrophobicContact CE3-CB 4.01Å; W48-C105 HydrophobicContact CH2-CB 3.82Å; W48-C105 HydrophobicContact CZ2-CB 3.86Å; W48-C105 HydrophobicContact CZ3-CB 3.89Å
49Q98.6Very high95.8Very high34 Ų3472.6 Ų72.616%0.15936%0.356CS..EExtended strand (participates in β ladder)trans-132.4148.5177.3-62.3-178.6-29.300111T47 E56 R57 N58 Y103 L104 L106T47-Q49 HydrophobicContact CG2-CG 4.34Å; Q49-E56 HydrophobicContact CB-CB 4.26Å; Q49-R57 CarbonylContact C-O 3.6Å; Q49-R57 WeakPolarHBondContact CA-O 3.3Å; Q49-N58 VanDerWaalsContact CG-OD1 3.32Å; Q49-N58 WeakPolarHBondContact CG-OD1 3.27Å; Q49-N58 PolarHBondContact NE2-OD1 2.85Å; Q49-Y103 CarbonylContact O-C 3.54Å; Q49-Y103 VanDerWaalsContact O-CA 3.31Å; Q49-Y103 WeakPolarHBondContact O-CA 3.32Å; Q49-L104 HydrophobicContact CB-CB 4.27Å; Q49-L104 PolarHBondContact N-O 3.14Å; Q49-L104 PolarHBondContact O-N 2.95Å; Q49-L106 HydrophobicContact CB-CD1 4.27Å; Q49-L106 HydrophobicContact CG-CD1 3.84Å
50K97.9Very high96.1Very high19 Ų1968.5 Ų68.58%0.08334%0.337CS..EExtended strand (participates in β ladder)trans-102.3127.9167.1-171.3171.3-178.2171.50109.3L52 E56 R57 I59 F74 Q98 Y103K50-L52 HydrophobicContact CD-CD2 4.32Å; K50-L52 HydrophobicContact CG-CD2 4.24Å; K50-L52 PolarHBondContact O-N 3.11Å; K50-E56 WeakPolarHBondContact O-CA 3.43Å; K50-R57 PolarHBondContact N-O 2.8Å; K50-R57 PolarHBondContact O-N 2.93Å; K50-I59 HydrophobicContact CB-CD1 4.09Å; K50-I59 HydrophobicContact CB-CG1 4.27Å; K50-F74 HydrophobicContact CD-CE1 4.46Å; K50-Q98 PolarHBondContact NZ-O 3.33Å; K50-Y103 HydrophobicContact CB-CD1 4.39Å; K50-Y103 HydrophobicContact CB-CE1 4.22Å; K50-Y103 HydrophobicContact CD-CE1 4.01Å; K50-Y103 WeakPolarHBondContact CE-OH 3.16Å; K50-Y103 HydrophobicContact CG-CD1 4.43Å; K50-Y103 HydrophobicContact CG-CE1 4.02Å; K50-Y103 PolarHBondContact NZ-OH 3.36Å
51V97.5Very high96.3Very high43 Ų4363.1 Ų63.126%0.26131%0.306SS..EExtended strand (participates in β ladder)trans-76.7120.9173.7-175.10000108.5C102 L104V51-C102 HydrophobicContact CB-CB 4.31Å; V51-C102 WeakPolarHBondContact CB-O 3.3Å; V51-C102 HydrophobicContact CG2-CB 4.18Å; V51-C102 WeakPolarHBondContact CG2-O 3.38Å; V51-C102 PolarHBondContact N-O 2.78Å; V51-L104 HydrophobicContact CG2-CD1 3.83Å; V51-L104 HydrophobicContact CG2-CD2 4.06Å; V51-L104 HydrophobicContact CG2-CG 3.68Å
52L93.7Very high96.5Very high75 Ų7561.9 Ų61.939%0.39330%0.299SS..  trans-107171.2168.9-49174.9000108.4K50 K54 T55 R57K50-L52 HydrophobicContact CD-CD2 4.32Å; K50-L52 HydrophobicContact CG-CD2 4.24Å; K50-L52 PolarHBondContact O-N 3.11Å; L52-K54 PolarHBondContact O-N 3Å; L52-T55 WeakPolarHBondContact CA-O 3.16Å; L52-T55 WeakPolarHBondContact CB-O 3.29Å; L52-T55 PolarHBondContact N-O 2.06Å; L52-R57 HydrophobicContact CD1-CB 3.99Å
53E88.4Confident96.6Very high192 Ų19257.9 Ų57.990%0.89728%0.278SS*.SBendtrans-53.9-32.2-172.9-64.3-174.7166.800115
54K87.8Confident96.5Very high194 Ų19464.8 Ų64.884%0.84331%0.31SS*.SBendtrans-127.3-8-174.1-63-178.2-177.9175.70114.3L52L52-K54 PolarHBondContact O-N 3Å
55T93.9Very high96.5Very high79 Ų7968.9 Ų68.949%0.48532%0.323SS..  trans-156.3156.5-168.858.90000110.9L52L52-T55 WeakPolarHBondContact CA-O 3.16Å; L52-T55 WeakPolarHBondContact CB-O 3.29Å; L52-T55 PolarHBondContact N-O 2.06Å
56E95.8Very high96.4Very high110 Ų11074.2 Ų74.251%0.51434%0.341SS..EExtended strand (participates in β ladder)trans-95.1136.2165.6-58.976.3-167.500110.3Q49 K50 L104Q49-E56 HydrophobicContact CB-CB 4.26Å; K50-E56 WeakPolarHBondContact O-CA 3.43Å; E56-L104 HydrophobicContact CG-CD1 4.14Å
57R97.1Very high96.3Very high130 Ų13075.4 Ų75.449%0.49135%0.353SS..EExtended strand (participates in β ladder)trans-107.6122.8173.7-168.9177.5177-173.20.8109.7Q49 K50 L52 I59 F74Q49-R57 CarbonylContact C-O 3.6Å; Q49-R57 WeakPolarHBondContact CA-O 3.3Å; K50-R57 PolarHBondContact N-O 2.8Å; K50-R57 PolarHBondContact O-N 2.93Å; L52-R57 HydrophobicContact CD1-CB 3.99Å; R57-I59 PolarHBondContact O-N 2.86Å; R57-F74 HydrophobicContact CB-CZ 4.42Å; R57-F74 HydrophobicContact CG-CE2 3.88Å; R57-F74 HydrophobicContact CG-CZ 4.03Å
58N97.8Very high96.3Very high77 Ų7779.8 Ų79.841%0.41237%0.373SS..EExtended strand (participates in β ladder)trans-63.6124.4175.4-71.3-10.6000110.4Q49 N71 F74Q49-N58 VanDerWaalsContact CG-OD1 3.32Å; Q49-N58 WeakPolarHBondContact CG-OD1 3.27Å; Q49-N58 PolarHBondContact NE2-OD1 2.85Å; N58-N71 WeakPolarHBondContact CB-ND2 3.21Å; N58-N71 PolarHBondContact O-ND2 3.45Å; N58-F74 WeakPolarHBondContact O-CE2 2.97Å
59I98.3Very high96.3Very high2 Ų282.4 Ų82.41%0.0139%0.389CS..EExtended strand (participates in β ladder)trans-86-50.3175.6-61.8173.1000109.3W48 K50 R57 N71 F74 V78 Y103W48-I59 HydrophobicContact CB-CB 4Å; W48-I59 HydrophobicContact CB-CD1 4.3Å; W48-I59 HydrophobicContact CB-CG2 4.48Å; W48-I59 WeakPolarHBondContact O-CB 3.41Å; W48-I59 PolarHBondContact O-N 2.86Å; K50-I59 HydrophobicContact CB-CD1 4.09Å; K50-I59 HydrophobicContact CB-CG1 4.27Å; R57-I59 PolarHBondContact O-N 2.86Å; I59-N71 WeakPolarHBondContact O-CB 3.17Å; I59-N71 PolarHBondContact O-N 2.98Å; I59-F74 HydrophobicContact CB-CD2 4.33Å; I59-F74 HydrophobicContact CB-CG 4.35Å; I59-F74 HydrophobicContact CG1-CD1 4.16Å; I59-F74 HydrophobicContact CG1-CD2 4.37Å; I59-F74 HydrophobicContact CG1-CE1 3.95Å; I59-F74 HydrophobicContact CG1-CE2 4.16Å; I59-F74 HydrophobicContact CG1-CG 4.35Å; I59-F74 HydrophobicContact CG1-CZ 3.94Å; I59-F74 HydrophobicContact CG2-CB 3.99Å; I59-F74 HydrophobicContact CG2-CD1 4.23Å; I59-F74 HydrophobicContact CG2-CD2 4.37Å; I59-F74 HydrophobicContact CG2-CG 3.96Å; I59-V78 HydrophobicContact CG2-CB 3.95Å; I59-V78 HydrophobicContact CG2-CG1 3.81Å; I59-V78 HydrophobicContact CG2-CG2 3.87Å; I59-Y103 HydrophobicContact CD1-CD1 3.53Å; I59-Y103 HydrophobicContact CD1-CE1 3.76Å
60G98Very high96.3Very high2 Ų282.3 Ų82.32%0.02139%0.391CS..EExtended strand (participates in β ladder)trans177.2175.4-173.300000111.7W48 T69W48-G60 PolarHBondContact N-O 2.81Å; G60-T69 CarbonylContact C-O 3.48Å; G60-T69 WeakPolarHBondContact CA-O 3.3Å
61S98.3Very high96.3Very high23 Ų2385.1 Ų85.116%0.16141%0.407CS..EExtended strand (participates in β ladder)trans-146.7157.5179.343.70000112.4V46 T69V46-S61 CarbonylContact O-C 3.58Å; V46-S61 WeakPolarHBondContact O-CA 3.27Å; V46-S61 WeakPolarHBondContact O-CB 3.11Å; S61-T69 PolarHBondContact N-O 2.95Å; S61-T69 PolarHBondContact N-OG1 2.01Å; S61-T69 PolarHBondContact O-N 2.83Å; S61-T69 PolarHBondContact O-OG1 2.82Å; S61-T69 PolarHBondContact OG-OG1 3.48Å
62Y98.6Very high96.2Very high40 Ų4089 Ų8916%0.15743%0.426CS..EExtended strand (participates in β ladder)trans-126.1133170.3170.2-97.7000110.2Q45 V46 G67 E68 A83 L85Q45-Y62 CarbonylContact C-O 3.42Å; Q45-Y62 WeakPolarHBondContact CA-O 3.38Å; Q45-Y62 WeakPolarHBondContact CG-O 3.46Å; V46-Y62 PolarHBondContact N-O 3.48Å; V46-Y62 PolarHBondContact O-N 2.77Å; Y62-G67 WeakPolarHBondContact CA-O 3.32Å; Y62-E68 HydrophobicContact CD2-CG 4.04Å; Y62-A83 HydrophobicContact CD2-CB 3.6Å; Y62-A83 HydrophobicContact CE2-CB 3.89Å; Y62-A83 WeakPolarHBondContact CE2-O 3.23Å; Y62-A83 HydrophobicContact CG-CB 4Å; Y62-A83 PolarHBondContact OH-O 2.89Å; Y62-L85 HydrophobicContact CD1-CD2 4.2Å; Y62-L85 HydrophobicContact CE1-CD2 4.09Å; Y62-L85 HydrophobicContact CE1-CG 4.16Å
63S97.9Very high96.2Very high8 Ų887.7 Ų87.76%0.05643%0.43CS..EExtended strand (participates in β ladder)trans-140.6159.3164.168.80000109.8Y65 Y66 G67S63-Y65 PolarHBondContact O-N 2.85Å; S63-Y66 PolarHBondContact OG-N 2.72Å; S63-G67 PolarHBondContact N-O 3.32Å; S63-G67 VanDerWaalsContact O-CA 3.26Å; S63-G67 WeakPolarHBondContact O-CA 3.45Å; S63-G67 PolarHBondContact O-N 2.87Å
64E96.5Very high96.7Very high154 Ų15479.5 Ų79.572%0.7239%0.392SS*.THydrogen-bonded Turntrans-61.5-33.5178.8-68.1-175.5163.200112.5L85E64-L85 HydrophobicContact CG-CD1 3.77Å; E64-L85 HydrophobicContact CG-CG 4.29Å
65Y96.3Very high97Very high192 Ų19275.9 Ų75.975%0.75338%0.376SS*.THydrogen-bonded Turntrans-78.7-42.5-177.1-174.2-96.5000113.2S63S63-Y65 PolarHBondContact O-N 2.85Å
66Y96.4Very high97.1Very high171 Ų17179.3 Ų79.367%0.67139%0.392SS*.THydrogen-bonded Turntrans-98.5-12.9-175.9-65.4-67.8000113.8S63S63-Y66 PolarHBondContact OG-N 2.72Å
67G97.6Very high97.1Very high25 Ų2576.7 Ų76.726%0.25838%0.378SS..EExtended strand (participates in β ladder)trans66.3-154.5-171.700000112.3Y62 S63Y62-G67 WeakPolarHBondContact CA-O 3.32Å; S63-G67 PolarHBondContact N-O 3.32Å; S63-G67 VanDerWaalsContact O-CA 3.26Å; S63-G67 WeakPolarHBondContact O-CA 3.45Å; S63-G67 PolarHBondContact O-N 2.87Å
68E98Very high97.2Very high106 Ų10670.9 Ų70.950%0.49536%0.357SS..EExtended strand (participates in β ladder)trans-77.1134.4179-64.5169.8-158.500111.6Y62 F80 A83Y62-E68 HydrophobicContact CD2-CG 4.04Å; E68-F80 HydrophobicContact CB-CD2 3.94Å; E68-F80 HydrophobicContact CB-CE2 4.28Å; E68-F80 HydrophobicContact CG-CB 4.15Å; E68-F80 HydrophobicContact CG-CD2 3.92Å; E68-F80 HydrophobicContact CG-CG 4.01Å; E68-A83 HydrophobicContact CG-CB 3.6Å; E68-A83 WeakPolarHBondContact OE1-CB 3.46Å
69T97.9Very high97.2Very high54 Ų5471.4 Ų71.433%0.33136%0.358SS..EExtended strand (participates in β ladder)trans-133.5132.5176.253.90000109.2G60 S61G60-T69 CarbonylContact C-O 3.48Å; G60-T69 WeakPolarHBondContact CA-O 3.3Å; S61-T69 PolarHBondContact N-O 2.95Å; S61-T69 PolarHBondContact N-OG1 2.01Å; S61-T69 PolarHBondContact O-N 2.83Å; S61-T69 PolarHBondContact O-OG1 2.82Å; S61-T69 PolarHBondContact OG-OG1 3.48Å
70V98.1Very high97.2Very high33 Ų3372 Ų7220%0.236%0.36CS..EExtended strand (participates in β ladder)trans-127.1127.5176.1-177.30000108.5F74 K75 F80V70-F74 HydrophobicContact CG1-CB 3.92Å; V70-K75 HydrophobicContact CB-CG 4.22Å; V70-K75 HydrophobicContact CG1-CG 4.07Å; V70-K75 WeakPolarHBondContact O-CE 2.96Å; V70-F80 HydrophobicContact CG2-CD2 4.15Å; V70-F80 HydrophobicContact CG2-CE2 3.84Å
71N97.9Very high97.2Very high77 Ų7775.9 Ų75.941%0.41238%0.383SS..  trans-68.1146.4179-73.3-20.5000110.7N58 I59 G73 F74 K75N58-N71 WeakPolarHBondContact CB-ND2 3.21Å; N58-N71 PolarHBondContact O-ND2 3.45Å; I59-N71 WeakPolarHBondContact O-CB 3.17Å; I59-N71 PolarHBondContact O-N 2.98Å; N71-G73 PolarHBondContact O-N 2.84Å; N71-F74 HydrophobicContact CB-CD2 4.37Å; N71-F74 PolarHBondContact O-N 2.88Å; N71-K75 PolarHBondContact O-N 3.07Å
72D95.9Very high97.1Very high125 Ų12578.8 Ų78.867%0.66839%0.394SS*.G310 helixtrans-51.9-37.7-170.6-67.2-34.7000114.2F74 K75D72-F74 PolarHBondContact O-N 2.82Å; D72-F74 VanDerWaalsContact O-N 3.07Å; D72-K75 PolarHBondContact O-N 2.87Å; D72-K75 WeakPolarHBondContact OD1-CE 3.47Å; D72-K75 IonicContact OD1-NZ 3.65Å; D72-K75 PolarHBondContact OD1-NZ 2.84Å
73G95Very high97Very high47 Ų4778.1 Ų78.149%0.48540%0.398SS..G310 helixtrans-66.9-6.8178.600000115.5N71N71-G73 PolarHBondContact O-N 2.84Å
74F97Very high97Very high20 Ų2078.6 Ų78.69%0.08840%0.404CS..G310 helixtrans-126.9-4.3-177.6-61.5-82.9000113.7K50 R57 N58 I59 V70 N71 D72 D76 K77 V78K50-F74 HydrophobicContact CD-CE1 4.46Å; R57-F74 HydrophobicContact CB-CZ 4.42Å; R57-F74 HydrophobicContact CG-CE2 3.88Å; R57-F74 HydrophobicContact CG-CZ 4.03Å; N58-F74 WeakPolarHBondContact O-CE2 2.97Å; I59-F74 HydrophobicContact CB-CD2 4.33Å; I59-F74 HydrophobicContact CB-CG 4.35Å; I59-F74 HydrophobicContact CG1-CD1 4.16Å; I59-F74 HydrophobicContact CG1-CD2 4.37Å; I59-F74 HydrophobicContact CG1-CE1 3.95Å; I59-F74 HydrophobicContact CG1-CE2 4.16Å; I59-F74 HydrophobicContact CG1-CG 4.35Å; I59-F74 HydrophobicContact CG1-CZ 3.94Å; I59-F74 HydrophobicContact CG2-CB 3.99Å; I59-F74 HydrophobicContact CG2-CD1 4.23Å; I59-F74 HydrophobicContact CG2-CD2 4.37Å; I59-F74 HydrophobicContact CG2-CG 3.96Å; V70-F74 HydrophobicContact CG1-CB 3.92Å; N71-F74 HydrophobicContact CB-CD2 4.37Å; N71-F74 PolarHBondContact O-N 2.88Å; D72-F74 PolarHBondContact O-N 2.82Å; D72-F74 VanDerWaalsContact O-N 3.07Å; F74-D76 VanDerWaalsContact C-N 3.3Å; F74-D76 PolarHBondContact O-N 3.23Å; F74-K77 CarbonylContact O-C 3.39Å; F74-K77 PolarHBondContact O-N 3.31Å; F74-V78 HydrophobicContact CB-CB 4.41Å; F74-V78 HydrophobicContact CB-CG2 4.25Å; F74-V78 HydrophobicContact CD1-CG2 4.34Å; F74-V78 PolarHBondContact O-N 2.84Å
75K95.7Very high97Very high119 Ų11972.9 Ų72.952%0.51738%0.378SS..THydrogen-bonded Turntrans-57.3-38.5-173.7-78.5-178.4175.3169.30114V70 N71 D72 K77V70-K75 HydrophobicContact CB-CG 4.22Å; V70-K75 HydrophobicContact CG1-CG 4.07Å; V70-K75 WeakPolarHBondContact O-CE 2.96Å; N71-K75 PolarHBondContact O-N 3.07Å; D72-K75 PolarHBondContact O-N 2.87Å; D72-K75 WeakPolarHBondContact OD1-CE 3.47Å; D72-K75 IonicContact OD1-NZ 3.65Å; D72-K75 PolarHBondContact OD1-NZ 2.84Å; K75-K77 VanDerWaalsContact C-N 3.28Å; K75-K77 PolarHBondContact O-N 3.29Å
76D95.1Very high97Very high151 Ų15167 Ų6781%0.80736%0.357SS*.THydrogen-bonded Turntrans-83.5-7.1179-58.3-40.5000113.1F74F74-D76 VanDerWaalsContact C-N 3.3Å; F74-D76 PolarHBondContact O-N 3.23Å
77K96.7Very high97Very high54 Ų5461.2 Ų61.224%0.23534%0.338CS..THydrogen-bonded Turntrans-114.2-33.1-171.6-76.9-62-165.11680114F74 K75 I92 R93 N94 D99F74-K77 CarbonylContact O-C 3.39Å; F74-K77 PolarHBondContact O-N 3.31Å; K75-K77 VanDerWaalsContact C-N 3.28Å; K75-K77 PolarHBondContact O-N 3.29Å; K77-I92 CarbonylContact O-C 3.56Å; K77-I92 WeakPolarHBondContact O-CA 3.32Å; K77-R93 PolarHBondContact O-N 2.78Å; K77-N94 PolarHBondContact NZ-O 2.77Å; K77-D99 IonicContact NZ-OD2 3.72Å
78V98Very high97.1Very high8 Ų860 Ų605%0.04833%0.326CS..EExtended strand (participates in β ladder)trans-124135.2-172.7-1790000110.3I59 F74 I90 V91 I92I59-V78 HydrophobicContact CG2-CB 3.95Å; I59-V78 HydrophobicContact CG2-CG1 3.81Å; I59-V78 HydrophobicContact CG2-CG2 3.87Å; F74-V78 HydrophobicContact CB-CB 4.41Å; F74-V78 HydrophobicContact CB-CG2 4.25Å; F74-V78 HydrophobicContact CD1-CG2 4.34Å; F74-V78 PolarHBondContact O-N 2.84Å; V78-I90 HydrophobicContact CG1-CB 3.91Å; V78-I90 HydrophobicContact CG1-CD1 3.85Å; V78-I90 HydrophobicContact CG1-CG1 4.43Å; V78-I90 HydrophobicContact CG1-CG2 4.15Å; V78-V91 WeakPolarHBondContact CA-O 3.34Å; V78-I92 HydrophobicContact CG2-CG1 4.35Å
79Q98.1Very high97.1Very high89 Ų8955.6 Ų55.642%0.41631%0.306SS..EExtended strand (participates in β ladder)trans-133.9144171.5-171.3-175.424.600110I90 V91Q79-I90 CarbonylContact O-C 3.44Å; Q79-I90 VanDerWaalsContact O-CA 3.24Å; Q79-I90 WeakPolarHBondContact O-CA 3.35Å; Q79-V91 HydrophobicContact CB-CG1 3.95Å; Q79-V91 PolarHBondContact N-O 2.92Å; Q79-V91 VanDerWaalsContact N-O 3.11Å; Q79-V91 PolarHBondContact O-N 2.83Å
80F98.2Very high97.1Very high13 Ų1353 Ų536%0.05729%0.29CS..EExtended strand (participates in β ladder)trans-72128.3168.1-69.1-92.5000109.9W48 E68 V70 A83 N88 I90W48-F80 AromaticContact CD1-CE1 3.66Å; W48-F80 AromaticContact NE1-CE1 3.92Å; E68-F80 HydrophobicContact CB-CD2 3.94Å; E68-F80 HydrophobicContact CB-CE2 4.28Å; E68-F80 HydrophobicContact CG-CB 4.15Å; E68-F80 HydrophobicContact CG-CD2 3.92Å; E68-F80 HydrophobicContact CG-CG 4.01Å; V70-F80 HydrophobicContact CG2-CD2 4.15Å; V70-F80 HydrophobicContact CG2-CE2 3.84Å; F80-A83 HydrophobicContact CB-CB 4.27Å; F80-A83 HydrophobicContact CD1-CB 4.38Å; F80-N88 WeakPolarHBondContact CE1-OD1 3.16Å; F80-I90 HydrophobicContact CD1-CG2 3.72Å; F80-I90 HydrophobicContact CE1-CG2 3.89Å; F80-I90 HydrophobicContact CG-CG2 4.16Å; F80-I90 HydrophobicContact CZ-CG2 4.44Å
81T97.4Very high97.1Very high84 Ų8452.2 Ų52.252%0.51529%0.286SS..EExtended strand (participates in β ladder)trans-96.6-26.2170.256.60000111.3S89 V91T81-S89 PolarHBondContact N-O 3.08Å; T81-S89 VanDerWaalsContact OG1-CB 3.31Å; T81-S89 WeakPolarHBondContact OG1-CB 3.37Å; T81-S89 PolarHBondContact OG1-O 3.26Å; T81-V91 HydrophobicContact CG2-CB 3.74Å; T81-V91 HydrophobicContact CG2-CG1 3.7Å
82E97.3Very high97.1Very high84 Ų8448.6 Ų48.639%0.39327%0.266SS..EExtended strand (participates in β ladder)trans-144.3126.2172-171.1177-168.300108.1N87 N88 S89E82-N87 HydrophobicContact CG-CB 4.23Å; E82-N87 WeakPolarHBondContact OE1-CB 3.45Å; E82-N87 PolarHBondContact OE1-ND2 3.16Å; E82-N87 VanDerWaalsContact OE1-ND2 3.08Å; E82-N88 CarbonylContact O-C 3.57Å; E82-N88 WeakPolarHBondContact O-CA 3.46Å; E82-S89 PolarHBondContact N-O 2.72Å; E82-S89 VanDerWaalsContact N-O 3.16Å; E82-S89 PolarHBondContact O-N 2.74Å
83A96.3Very high97.2Very high27 Ų2747.8 Ų47.822%0.22325%0.254CS..EExtended strand (participates in β ladder)trans-12588.5-176.600000109.6Y62 E68 F80Y62-A83 HydrophobicContact CD2-CB 3.6Å; Y62-A83 HydrophobicContact CE2-CB 3.89Å; Y62-A83 WeakPolarHBondContact CE2-O 3.23Å; Y62-A83 HydrophobicContact CG-CB 4Å; Y62-A83 PolarHBondContact OH-O 2.89Å; E68-A83 HydrophobicContact CG-CB 3.6Å; E68-A83 WeakPolarHBondContact OE1-CB 3.46Å; F80-A83 HydrophobicContact CB-CB 4.27Å; F80-A83 HydrophobicContact CD1-CB 4.38Å
84G97.1Very high97.3Very high18 Ų1850.1 Ų50.119%0.18626%0.255CS..  trans-136.5171.1175.200000111.7N87 N88G84-N87 CarbonylContact C-O 3.54Å; G84-N87 VanDerWaalsContact C-O 3.27Å; G84-N87 WeakPolarHBondContact CA-O 3.31Å; G84-N87 PolarHBondContact N-O 2.74Å; G84-N87 VanDerWaalsContact O-O 3.09Å; G84-N88 PolarHBondContact O-ND2 2.89Å; G84-N88 VanDerWaalsContact O-ND2 3.16Å
85L97.1Very high97.3Very high33 Ų3349.1 Ų49.117%0.17325%0.251CS..SBendtrans-84.9-19.2177-66.8-179.3000113.3V43 V46 Y62 E64 F107V43-L85 HydrophobicContact CB-CB 4.13Å; V43-L85 HydrophobicContact CB-CD2 4.37Å; V43-L85 HydrophobicContact CG1-CB 4.3Å; V43-L85 HydrophobicContact CG1-CD2 3.93Å; V43-L85 VanDerWaalsContact O-CD1 3.3Å; V43-L85 WeakPolarHBondContact O-CD1 3.32Å; V46-L85 HydrophobicContact CG2-CD2 4.42Å; Y62-L85 HydrophobicContact CD1-CD2 4.2Å; Y62-L85 HydrophobicContact CE1-CD2 4.09Å; Y62-L85 HydrophobicContact CE1-CG 4.16Å; E64-L85 HydrophobicContact CG-CD1 3.77Å; E64-L85 HydrophobicContact CG-CG 4.29Å; L85-F107 WeakPolarHBondContact O-CD1 3.06Å; L85-F107 WeakPolarHBondContact O-CE1 3.16Å
86Q96.1Very high97.3Very high69 Ų6945.6 Ų45.632%0.32224%0.239SC..SBendtrans-100.5-42.9174.2-163.575.319.800111.7Q36 L37 E39Q36-Q86 WeakPolarHBondContact CA-O 3.35Å; L37-Q86 PolarHBondContact N-O 2.74Å; L37-Q86 PolarHBondContact O-NE2 2.92Å; E39-Q86 PolarHBondContact O-NE2 3.04Å
87N97.3Very high97.2Very high50 Ų5041.6 Ų41.627%0.26722%0.218SC..EExtended strand (participates in β ladder)trans-118.1131.5176.7-59.5-21.3000108.8Q36 E82 G84Q36-N87 WeakPolarHBondContact CG-OD1 3.35Å; E82-N87 HydrophobicContact CG-CB 4.23Å; E82-N87 WeakPolarHBondContact OE1-CB 3.45Å; E82-N87 PolarHBondContact OE1-ND2 3.16Å; E82-N87 VanDerWaalsContact OE1-ND2 3.08Å; G84-N87 CarbonylContact C-O 3.54Å; G84-N87 VanDerWaalsContact C-O 3.27Å; G84-N87 WeakPolarHBondContact CA-O 3.31Å; G84-N87 PolarHBondContact N-O 2.74Å; G84-N87 VanDerWaalsContact O-O 3.09Å
88N98Very high97.1Very high0 Ų047 Ų470%024%0.244CC..EExtended strand (participates in β ladder)trans-146.4123.1177.9-158.6-77.7000109.5C35 V46 W48 F80 E82 G84 F107C35-N88 WeakPolarHBondContact CA-O 3.34Å; C35-N88 WeakPolarHBondContact CB-O 3.37Å; C35-N88 PolarHBondContact N-O 3.17Å; C35-N88 PolarHBondContact O-N 3.02Å; V46-N88 HydrophobicContact CB-CB 4.3Å; V46-N88 HydrophobicContact CG1-CB 3.76Å; V46-N88 HydrophobicContact CG2-CB 4.35Å; W48-N88 PolarHBondContact NE1-OD1 2.82Å; F80-N88 WeakPolarHBondContact CE1-OD1 3.16Å; E82-N88 CarbonylContact O-C 3.57Å; E82-N88 WeakPolarHBondContact O-CA 3.46Å; G84-N88 PolarHBondContact O-ND2 2.89Å; G84-N88 VanDerWaalsContact O-ND2 3.16Å; N88-F107 HydrophobicContact CB-CZ 4.49Å
89S98.1Very high97Very high12 Ų1247.5 Ų47.58%0.08425%0.246CC..EExtended strand (participates in β ladder)trans-137.5141.5-174.7-590000110.1L33 S34 T81 E82L33-S89 VanDerWaalsContact O-CA 3.31Å; L33-S89 WeakPolarHBondContact O-CA 2.97Å; S34-S89 WeakPolarHBondContact CA-OG 3.37Å; S34-S89 WeakPolarHBondContact CB-OG 3.45Å; T81-S89 PolarHBondContact N-O 3.08Å; T81-S89 VanDerWaalsContact OG1-CB 3.31Å; T81-S89 WeakPolarHBondContact OG1-CB 3.37Å; T81-S89 PolarHBondContact OG1-O 3.26Å; E82-S89 PolarHBondContact N-O 2.72Å; E82-S89 VanDerWaalsContact N-O 3.16Å; E82-S89 PolarHBondContact O-N 2.74Å
90I98.5Very high96.9Very high0 Ų045.4 Ų45.40%024%0.244CC..EExtended strand (participates in β ladder)trans-122.8157.5176.761168.5000110.3P32 L33 W48 V78 Q79 F80P32-I90 CarbonylContact C-O 3.54Å; P32-I90 WeakPolarHBondContact CA-O 3.39Å; L33-I90 HydrophobicContact CB-CG1 4.04Å; L33-I90 HydrophobicContact CD1-CD1 4.39Å; L33-I90 PolarHBondContact N-O 3.23Å; L33-I90 PolarHBondContact O-N 2.9Å; W48-I90 HydrophobicContact CD2-CD1 3.63Å; W48-I90 HydrophobicContact CD2-CG1 3.98Å; W48-I90 HydrophobicContact CD2-CG2 4.15Å; W48-I90 HydrophobicContact CE3-CD1 3.56Å; W48-I90 HydrophobicContact CE3-CG1 4.07Å; W48-I90 HydrophobicContact CG-CD1 4.08Å; W48-I90 HydrophobicContact CG-CG2 4.12Å; W48-I90 HydrophobicContact CH2-CD1 4.4Å; W48-I90 HydrophobicContact CH2-CG1 4.02Å; W48-I90 HydrophobicContact CZ2-CD1 4.49Å; W48-I90 HydrophobicContact CZ2-CG1 3.95Å; W48-I90 HydrophobicContact CZ2-CG2 4.33Å; W48-I90 HydrophobicContact CZ3-CD1 3.97Å; W48-I90 HydrophobicContact CZ3-CG1 4.08Å; V78-I90 HydrophobicContact CG1-CB 3.91Å; V78-I90 HydrophobicContact CG1-CD1 3.85Å; V78-I90 HydrophobicContact CG1-CG1 4.43Å; V78-I90 HydrophobicContact CG1-CG2 4.15Å; Q79-I90 CarbonylContact O-C 3.44Å; Q79-I90 VanDerWaalsContact O-CA 3.24Å; Q79-I90 WeakPolarHBondContact O-CA 3.35Å; F80-I90 HydrophobicContact CD1-CG2 3.72Å; F80-I90 HydrophobicContact CE1-CG2 3.89Å; F80-I90 HydrophobicContact CG-CG2 4.16Å; F80-I90 HydrophobicContact CZ-CG2 4.44Å
91V98.4Very high96.9Very high17 Ų1746 Ų4610%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-114.4132.4166.263.30000109.5D30 T31 V78 Q79 T81 R93D30-V91 HydrophobicContact CB-CG2 3.94Å; T31-V91 WeakPolarHBondContact O-CA 3.24Å; V78-V91 WeakPolarHBondContact CA-O 3.34Å; Q79-V91 HydrophobicContact CB-CG1 3.95Å; Q79-V91 PolarHBondContact N-O 2.92Å; Q79-V91 VanDerWaalsContact N-O 3.11Å; Q79-V91 PolarHBondContact O-N 2.83Å; T81-V91 HydrophobicContact CG2-CB 3.74Å; T81-V91 HydrophobicContact CG2-CG1 3.7Å; V91-R93 HydrophobicContact CG1-CG 4.34Å
92I98.4Very high96.9Very high1 Ų143 Ų431%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-93.4117.1167-58.9164.3000106.8D30 T31 L33 K77 V78 V95 D99 Y103 L121D30-I92 WeakPolarHBondContact CA-O 3.49Å; T31-I92 HydrophobicContact CG2-CB 3.92Å; T31-I92 HydrophobicContact CG2-CD1 4.37Å; T31-I92 PolarHBondContact N-O 3.2Å; T31-I92 PolarHBondContact O-N 3.43Å; L33-I92 HydrophobicContact CD1-CD1 3.7Å; L33-I92 HydrophobicContact CG-CD1 4.21Å; K77-I92 CarbonylContact O-C 3.56Å; K77-I92 WeakPolarHBondContact O-CA 3.32Å; V78-I92 HydrophobicContact CG2-CG1 4.35Å; I92-V95 HydrophobicContact CG2-CG2 4.13Å; I92-D99 HydrophobicContact CG2-CB 4.27Å; I92-Y103 HydrophobicContact CD1-CD1 4.19Å; I92-Y103 HydrophobicContact CD1-CD2 4.4Å; I92-Y103 HydrophobicContact CD1-CE1 3.59Å; I92-Y103 HydrophobicContact CD1-CE2 3.87Å; I92-Y103 VanDerWaalsContact CD1-CZ 3.42Å; I92-Y103 HydrophobicContact CG1-CE1 4.45Å; I92-L121 HydrophobicContact CD1-CD2 3.89Å
93R98.3Very high96.9Very high108 Ų10839.1 Ų39.141%0.40822%0.218SC..  trans-89.6143-174.9-68.6175.4170.3-113.22.5112.2D30 K77 V91 V95D30-R93 WeakPolarHBondContact OD1-CA 3.32Å; K77-R93 PolarHBondContact O-N 2.78Å; V91-R93 HydrophobicContact CG1-CG 4.34Å; R93-V95 PolarHBondContact O-N 3.08Å
94N97.1Very high97Very high95 Ų9538.9 Ų38.951%0.50821%0.213SC..SBendtrans46.664.1174.5-175.115.4000110.9G28 E29 D30 K77G28-N94 WeakPolarHBondContact CA-OD1 3.44Å; E29-N94 PolarHBondContact O-N 3.4Å; D30-N94 PolarHBondContact OD1-N 3.03Å; K77-N94 PolarHBondContact NZ-O 2.77Å
95V97Very high97.1Very high0 Ų038 Ų380%020%0.204CC..  trans-55.1136.9-172.5166.10000110.9A25 V27 G28 E29 T31 I92 R93 D99 L121 V123A25-V95 HydrophobicContact CB-CB 4.41Å; A25-V95 HydrophobicContact CB-CG1 4.2Å; A25-V95 HydrophobicContact CB-CG2 4.08Å; V27-V95 CarbonylContact C-O 3.54Å; V27-V95 WeakPolarHBondContact CA-O 3.47Å; G28-V95 PolarHBondContact N-O 3.34Å; E29-V95 WeakPolarHBondContact O-CB 3.46Å; E29-V95 VanDerWaalsContact O-CG2 3.23Å; E29-V95 WeakPolarHBondContact O-CG2 3.44Å; E29-V95 PolarHBondContact O-N 2.85Å; T31-V95 HydrophobicContact CG2-CG2 3.51Å; I92-V95 HydrophobicContact CG2-CG2 4.13Å; R93-V95 PolarHBondContact O-N 3.08Å; V95-D99 HydrophobicContact CG1-CB 4.41Å; V95-L121 HydrophobicContact CG1-CD2 4.49Å; V95-L121 HydrophobicContact CG2-CD2 4.44Å; V95-V123 HydrophobicContact CG1-CB 4.25Å; V95-V123 HydrophobicContact CG1-CG1 3.79Å; V95-V123 HydrophobicContact CG1-CG2 3.46Å; V95-V123 VanDerWaalsContact CG1-CG2 3.46Å
96T95.6Very high97.1Very high44 Ų4437.5 Ų37.527%0.2720%0.201SC..  trans-123.5165.8174.464.50000110.4Q98 D99T96-Q98 PolarHBondContact O-N 3.23Å; T96-Q98 VanDerWaalsContact O-N 3.08Å; T96-D99 PolarHBondContact N-OD2 2.85Å; T96-D99 WeakPolarHBondContact O-CA 3.38Å; T96-D99 VanDerWaalsContact O-CB 3.3Å; T96-D99 WeakPolarHBondContact O-CB 3.15Å; T96-D99 PolarHBondContact O-N 2.86Å; T96-D99 PolarHBondContact OG1-OD2 2.68Å
97D93.3Very high97.2Very high68 Ų6834.2 Ų34.236%0.36419%0.186SC..G310 helixtrans-52.2-32.4173.5-79.5-17.3000113.7D99 A100 R151D97-D99 PolarHBondContact O-N 3.08Å; D97-A100 VanDerWaalsContact O-CB 3.3Å; D97-A100 WeakPolarHBondContact O-CB 3.46Å; D97-A100 PolarHBondContact O-N 2.9Å; D97-R151 IonicContact OD1-NH1 2.68Å; D97-R151 IonicContact OD2-CZ 3.67Å; D97-R151 IonicContact OD2-NH1 3.94Å; D97-R151 PolarHBondContact OD2-NH1 3.04Å
98Q93.8Very high97.3Very high168 Ų16834.1 Ų34.179%0.78519%0.186SC*.G310 helixtrans-70.3-18.5178.8-63.3-167.7-14.700112.7K50 T96 A100K50-Q98 PolarHBondContact NZ-O 3.33Å; T96-Q98 PolarHBondContact O-N 3.23Å; T96-Q98 VanDerWaalsContact O-N 3.08Å; Q98-A100 VanDerWaalsContact C-N 3.31Å
99D96.2Very high97.2Very high17 Ų1734.6 Ų34.69%0.09119%0.189CC..G310 helixtrans-79.9-15176.9-59.8-51.7000112.2K77 I92 V95 T96 D97 G101 Y103 L121K77-D99 IonicContact NZ-OD2 3.72Å; I92-D99 HydrophobicContact CG2-CB 4.27Å; V95-D99 HydrophobicContact CG1-CB 4.41Å; T96-D99 PolarHBondContact N-OD2 2.85Å; T96-D99 WeakPolarHBondContact O-CA 3.38Å; T96-D99 VanDerWaalsContact O-CB 3.3Å; T96-D99 WeakPolarHBondContact O-CB 3.15Å; T96-D99 PolarHBondContact O-N 2.86Å; T96-D99 PolarHBondContact OG1-OD2 2.68Å; D97-D99 PolarHBondContact O-N 3.08Å; D99-G101 PolarHBondContact O-N 3.33Å; D99-Y103 WeakPolarHBondContact O-CE2 3.12Å; D99-Y103 PolarHBondContact O-OH 2.82Å; D99-L121 HydrophobicContact CB-CD2 4.24Å
100A96.3Very high97Very high46 Ų4641.9 Ų41.938%0.3822%0.215SC..  trans-57.5138.6171.800000111.3D97 Q98 V123D97-A100 VanDerWaalsContact O-CB 3.3Å; D97-A100 WeakPolarHBondContact O-CB 3.46Å; D97-A100 PolarHBondContact O-N 2.9Å; Q98-A100 VanDerWaalsContact C-N 3.31Å; A100-V123 HydrophobicContact CB-CB 4.27Å; A100-V123 HydrophobicContact CB-CG2 3.85Å
101G96.6Very high96.8Very high26 Ų2646.7 Ų46.727%0.26825%0.246SC..EExtended strand (participates in β ladder)trans142.5-175.1-178.100000112.5D99 C120 L121D99-G101 PolarHBondContact O-N 3.33Å; G101-C120 CarbonylContact O-C 3.58Å; G101-C120 WeakPolarHBondContact O-CA 3.05Å; G101-L121 PolarHBondContact N-O 2.67Å; G101-L121 VanDerWaalsContact N-O 3.07Å; G101-L121 PolarHBondContact O-N 2.8Å
102C98.1Very high96.5Very high19 Ų1950.3 Ų50.313%0.12827%0.265CS..EExtended strand (participates in β ladder)trans-102.1143.9178.5-54.10000111.3V51 R118 T119 C120V51-C102 HydrophobicContact CB-CB 4.31Å; V51-C102 WeakPolarHBondContact CB-O 3.3Å; V51-C102 HydrophobicContact CG2-CB 4.18Å; V51-C102 WeakPolarHBondContact CG2-O 3.38Å; V51-C102 PolarHBondContact N-O 2.78Å; C102-R118 HydrophobicContact CB-CG 4.4Å; C102-R118 PolarHBondContact SG-NH2 2.76Å; C102-T119 CarbonylContact C-O 3.27Å; C102-T119 VanDerWaalsContact CA-O 3.29Å; C102-T119 WeakPolarHBondContact CA-O 3.14Å; C102-C120 HydrophobicContact CB-CB 4.15Å; C102-C120 WeakPolarHBondContact CB-SG 3.46Å; C102-C120 WeakPolarHBondContact SG-CB 3.24Å; C102-C120 CovalentContact SG-SG 2.06Å; C102-C120 PolarHBondContact SG-SG 2.77Å
103Y98.4Very high96.3Very high4 Ų451.7 Ų51.72%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-119.5139.5-179-67.7-100.9000107.7L33 Q49 K50 I59 I92 D99 R118 T119 L121L33-Y103 HydrophobicContact CD1-CD1 4.02Å; L33-Y103 HydrophobicContact CD1-CD2 3.89Å; L33-Y103 HydrophobicContact CD1-CG 3.59Å; Q49-Y103 CarbonylContact O-C 3.54Å; Q49-Y103 VanDerWaalsContact O-CA 3.31Å; Q49-Y103 WeakPolarHBondContact O-CA 3.32Å; K50-Y103 HydrophobicContact CB-CD1 4.39Å; K50-Y103 HydrophobicContact CB-CE1 4.22Å; K50-Y103 HydrophobicContact CD-CE1 4.01Å; K50-Y103 WeakPolarHBondContact CE-OH 3.16Å; K50-Y103 HydrophobicContact CG-CD1 4.43Å; K50-Y103 HydrophobicContact CG-CE1 4.02Å; K50-Y103 PolarHBondContact NZ-OH 3.36Å; I59-Y103 HydrophobicContact CD1-CD1 3.53Å; I59-Y103 HydrophobicContact CD1-CE1 3.76Å; I92-Y103 HydrophobicContact CD1-CD1 4.19Å; I92-Y103 HydrophobicContact CD1-CD2 4.4Å; I92-Y103 HydrophobicContact CD1-CE1 3.59Å; I92-Y103 HydrophobicContact CD1-CE2 3.87Å; I92-Y103 VanDerWaalsContact CD1-CZ 3.42Å; I92-Y103 HydrophobicContact CG1-CE1 4.45Å; D99-Y103 WeakPolarHBondContact O-CE2 3.12Å; D99-Y103 PolarHBondContact O-OH 2.82Å; Y103-R118 WeakPolarHBondContact O-CA 3.35Å; Y103-T119 PolarHBondContact N-O 2.84Å; Y103-T119 PolarHBondContact O-N 2.81Å; Y103-L121 HydrophobicContact CD2-CB 4.34Å; Y103-L121 HydrophobicContact CE2-CB 4.02Å; Y103-L121 HydrophobicContact CE2-CD2 4.38Å
104L98.3Very high96.1Very high21 Ų2149.1 Ų49.111%0.1128%0.281CS..EExtended strand (participates in β ladder)trans-114.7137.9178.8-53.7177.2000109W48 Q49 V51 E56 L106 T116 G117 R118W48-L104 CarbonylContact C-O 3.48Å; W48-L104 WeakPolarHBondContact CA-O 3.41Å; Q49-L104 HydrophobicContact CB-CB 4.27Å; Q49-L104 PolarHBondContact N-O 3.14Å; Q49-L104 PolarHBondContact O-N 2.95Å; V51-L104 HydrophobicContact CG2-CD1 3.83Å; V51-L104 HydrophobicContact CG2-CD2 4.06Å; V51-L104 HydrophobicContact CG2-CG 3.68Å; E56-L104 HydrophobicContact CG-CD1 4.14Å; L104-L106 HydrophobicContact CB-CD1 3.7Å; L104-T116 HydrophobicContact CB-CG2 4.1Å; L104-T116 HydrophobicContact CD1-CG2 4.4Å; L104-T116 HydrophobicContact CD2-CG2 3.99Å; L104-T116 HydrophobicContact CG-CG2 4.38Å; L104-G117 VanDerWaalsContact CA-O 3.3Å; L104-G117 WeakPolarHBondContact CA-O 3.17Å; L104-R118 HydrophobicContact CD2-CB 3.75Å; L104-R118 HydrophobicContact CD2-CG 3.72Å
105C98Very high96.1Very high1 Ų146.4 Ų46.41%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-113.8122.3166.459.90000108.1C35 W48 T116 G117C35-C105 HydrophobicContact CB-CB 3.6Å; C35-C105 WeakPolarHBondContact CB-SG 3.49Å; C35-C105 WeakPolarHBondContact SG-CB 3.3Å; C35-C105 CovalentContact SG-SG 2.01Å; C35-C105 PolarHBondContact SG-SG 3.01Å; W48-C105 HydrophobicContact CD2-CB 4.08Å; W48-C105 HydrophobicContact CE3-CB 4.01Å; W48-C105 HydrophobicContact CH2-CB 3.82Å; W48-C105 HydrophobicContact CZ2-CB 3.86Å; W48-C105 HydrophobicContact CZ3-CB 3.89Å; C105-T116 WeakPolarHBondContact O-CA 3.31Å; C105-G117 PolarHBondContact N-O 2.62Å; C105-G117 PolarHBondContact O-N 2.92Å; C105-G117 VanDerWaalsContact SG-CA 3.54Å
106L98.3Very high96.1Very high21 Ų2150 Ų5011%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-113.2111.2-174.3-64.684.9000108.5V46 T47 Q49 L104 N108 A114 L115 T116V46-L106 CarbonylContact C-O 3.51Å; V46-L106 VanDerWaalsContact CA-O 3.27Å; V46-L106 WeakPolarHBondContact CA-O 3.43Å; T47-L106 PolarHBondContact N-O 3.39Å; T47-L106 WeakPolarHBondContact O-CD1 3.26Å; T47-L106 PolarHBondContact O-N 2.97Å; Q49-L106 HydrophobicContact CB-CD1 4.27Å; Q49-L106 HydrophobicContact CG-CD1 3.84Å; L104-L106 HydrophobicContact CB-CD1 3.7Å; L106-N108 PolarHBondContact O-N 2.79Å; L106-A114 HydrophobicContact CD2-CB 4.38Å; L106-L115 CarbonylContact C-O 3.56Å; L106-L115 WeakPolarHBondContact CA-O 3.31Å; L106-T116 HydrophobicContact CG-CG2 4.36Å
107F98.3Very high96.1Very high0 Ų048.1 Ų48.10%028%0.278CS..EExtended strand (participates in β ladder)trans-83.9101.6167.4-67.9-99.1000107.4I17 C35 L37 V43 V46 L85 N88 T109 A114 L115I17-F107 HydrophobicContact CD1-CD2 3.6Å; I17-F107 HydrophobicContact CD1-CE2 4.17Å; I17-F107 HydrophobicContact CG1-CD2 4.04Å; I17-F107 HydrophobicContact CG1-CE2 4.27Å; I17-F107 HydrophobicContact CG2-CE2 4.21Å; C35-F107 HydrophobicContact CB-CE2 4.06Å; C35-F107 HydrophobicContact CB-CZ 4.34Å; L37-F107 HydrophobicContact CB-CD1 3.97Å; L37-F107 HydrophobicContact CB-CE1 3.84Å; L37-F107 HydrophobicContact CB-CE2 4.4Å; L37-F107 HydrophobicContact CB-CG 4.34Å; L37-F107 HydrophobicContact CB-CZ 4.06Å; L37-F107 HydrophobicContact CD1-CG 4.44Å; L37-F107 HydrophobicContact CD2-CD1 4.19Å; L37-F107 HydrophobicContact CD2-CG 4.47Å; V43-F107 HydrophobicContact CG1-CB 4.21Å; V43-F107 HydrophobicContact CG1-CD1 4.03Å; V43-F107 HydrophobicContact CG2-CB 4.47Å; V43-F107 HydrophobicContact CG2-CD1 4.21Å; V46-F107 HydrophobicContact CG1-CE1 4.45Å; V46-F107 HydrophobicContact CG1-CZ 4.49Å; V46-F107 HydrophobicContact CG2-CD1 3.62Å; V46-F107 HydrophobicContact CG2-CE1 3.71Å; V46-F107 HydrophobicContact CG2-CG 4.33Å; L85-F107 WeakPolarHBondContact O-CD1 3.06Å; L85-F107 WeakPolarHBondContact O-CE1 3.16Å; N88-F107 HydrophobicContact CB-CZ 4.49Å; F107-T109 HydrophobicContact CB-CG2 4.5Å; F107-T109 PolarHBondContact O-N 3.43Å; F107-A114 WeakPolarHBondContact O-CA 3.35Å; F107-L115 HydrophobicContact CB-CB 4.41Å; F107-L115 PolarHBondContact N-O 2.92Å; F107-L115 PolarHBondContact O-N 2.8Å
108N97.7Very high96.3Very high49 Ų4951.9 Ų51.926%0.26229%0.287SS..EExtended strand (participates in β ladder)trans-79104.3179-58.2-73000108.6Q44 Q45 T47 L106Q44-N108 PolarHBondContact N-O 2.93Å; Q45-N108 WeakPolarHBondContact O-CB 3.36Å; Q45-N108 PolarHBondContact O-N 3.21Å; Q45-N108 PolarHBondContact O-ND2 3.24Å; T47-N108 PolarHBondContact OG1-ND2 2.86Å; T47-N108 VanDerWaalsContact OG1-ND2 3.14Å; L106-N108 PolarHBondContact O-N 2.79Å
109T97Very high96.5Very high10 Ų1043.9 Ų43.96%0.06125%0.25CC..EExtended strand (participates in β ladder)trans-106.2155.2-17767.80000111.9K41 D42 V43 F107 D112 G113 L115K41-T109 HydrophobicContact CB-CG2 3.68Å; K41-T109 HydrophobicContact CG-CG2 4.3Å; D42-T109 VanDerWaalsContact O-CA 3.24Å; D42-T109 WeakPolarHBondContact O-CA 3.25Å; V43-T109 HydrophobicContact CB-CG2 4.45Å; V43-T109 HydrophobicContact CG2-CG2 3.84Å; F107-T109 HydrophobicContact CB-CG2 4.5Å; F107-T109 PolarHBondContact O-N 3.43Å; T109-D112 WeakPolarHBondContact OG1-CB 3.24Å; T109-G113 WeakPolarHBondContact CA-O 3.48Å; T109-G113 WeakPolarHBondContact CB-O 3.23Å; T109-G113 PolarHBondContact N-O 2.66Å; T109-G113 WeakPolarHBondContact O-CA 3.17Å; T109-G113 PolarHBondContact O-N 3.46Å; T109-G113 PolarHBondContact OG1-O 3.24Å; T109-L115 HydrophobicContact CG2-CD1 4.13Å
110Y92.7Very high96.6Very high165 Ų16544.5 Ų44.565%0.64726%0.256SS*.THydrogen-bonded Turntrans-117.5136.3169.8-176.2-95.6000109.8D42D42-Y110 PolarHBondContact O-N 3.16Å
111P94.8Very high96.7Very high100 Ų10042.6 Ų42.665%0.64924%0.239SC*.THydrogen-bonded Turncis-86.1-1.4-4.436.4-35.9000113.9G113P111-G113 PolarHBondContact O-N 3.07Å; P111-G113 VanDerWaalsContact O-N 3.16Å
112D91.7Very high96.6Very high93 Ų9347 Ų4750%0.49725%0.25SS..THydrogen-bonded Turntrans-71.2-11.3-166.5-60.6-23.3000114.3K41 T109K41-D112 IonicContact NZ-OD2 2.66Å; K41-D112 PolarHBondContact NZ-OD2 2.86Å; T109-D112 WeakPolarHBondContact OG1-CB 3.24Å
113G94.1Very high96.5Very high31 Ų3147 Ų4732%0.3225%0.25SC..EExtended strand (participates in β ladder)trans83.3-157.6-178.200000112.8T109 P111T109-G113 WeakPolarHBondContact CA-O 3.48Å; T109-G113 WeakPolarHBondContact CB-O 3.23Å; T109-G113 PolarHBondContact N-O 2.66Å; T109-G113 WeakPolarHBondContact O-CA 3.17Å; T109-G113 PolarHBondContact O-N 3.46Å; T109-G113 PolarHBondContact OG1-O 3.24Å; P111-G113 PolarHBondContact O-N 3.07Å; P111-G113 VanDerWaalsContact O-N 3.16Å
114A95.3Very high96.2Very high53 Ų5350.4 Ų50.444%0.43826%0.263SS..EExtended strand (participates in β ladder)trans-85.3121.8-175.100000112.2L106 F107L106-A114 HydrophobicContact CD2-CB 4.38Å; F107-A114 WeakPolarHBondContact O-CA 3.35Å
115L96.6Very high95.5Very high39 Ų3951.7 Ų51.720%0.20427%0.269CS..EExtended strand (participates in β ladder)trans-90.9129.5167.6-59.8172.2000108.7V16 I17 L37 K41 L106 F107 T109V16-L115 HydrophobicContact CG1-CD1 3.79Å; V16-L115 HydrophobicContact CG1-CD2 4.48Å; I17-L115 HydrophobicContact CD1-CB 3.64Å; I17-L115 VanDerWaalsContact CD1-O 3.28Å; I17-L115 WeakPolarHBondContact CD1-O 3.33Å; I17-L115 HydrophobicContact CG1-CB 4.41Å; L37-L115 HydrophobicContact CD1-CD1 3.71Å; K41-L115 HydrophobicContact CG-CD1 4.11Å; L106-L115 CarbonylContact C-O 3.56Å; L106-L115 WeakPolarHBondContact CA-O 3.31Å; F107-L115 HydrophobicContact CB-CB 4.41Å; F107-L115 PolarHBondContact N-O 2.92Å; F107-L115 PolarHBondContact O-N 2.8Å; T109-L115 HydrophobicContact CG2-CD1 4.13Å
116T96.7Very high94.6Very high76 Ų7658 Ų5847%0.46630%0.302SS..EExtended strand (participates in β ladder)trans-115.6122.7-171.7-54.60000112.5I17 L104 C105 L106I17-T116 VanDerWaalsContact CD1-C 3.46Å; L104-T116 HydrophobicContact CB-CG2 4.1Å; L104-T116 HydrophobicContact CD1-CG2 4.4Å; L104-T116 HydrophobicContact CD2-CG2 3.99Å; L104-T116 HydrophobicContact CG-CG2 4.38Å; C105-T116 WeakPolarHBondContact O-CA 3.31Å; L106-T116 HydrophobicContact CG-CG2 4.36Å
117G96.8Very high93.6Very high4 Ų462.3 Ų62.34%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-95.1149.9162.300000110.4L104 C105L104-G117 VanDerWaalsContact CA-O 3.3Å; L104-G117 WeakPolarHBondContact CA-O 3.17Å; C105-G117 PolarHBondContact N-O 2.62Å; C105-G117 PolarHBondContact O-N 2.92Å; C105-G117 VanDerWaalsContact SG-CA 3.54Å
118R97.2Very high92.3Very high146 Ų14665.1 Ų65.155%0.55135%0.346SS*.EExtended strand (participates in β ladder)trans-133.9128.7-178.7-179.8176.8-177.5-157.62.4111.1T19 C102 Y103 L104T19-R118 WeakPolarHBondContact CG2-O 3.39Å; C102-R118 HydrophobicContact CB-CG 4.4Å; C102-R118 PolarHBondContact SG-NH2 2.76Å; Y103-R118 WeakPolarHBondContact O-CA 3.35Å; L104-R118 HydrophobicContact CD2-CB 3.75Å; L104-R118 HydrophobicContact CD2-CG 3.72Å
119T98Very high91.3Very high0 Ų067 Ų670%036%0.361CS..EExtended strand (participates in β ladder)trans-125.2135.1173.5-52.30000109.9T19 Q20 V23 L33 C102 Y103T19-T119 PolarHBondContact OG1-OG1 2.85Å; Q20-T119 HydrophobicContact CB-CG2 4.22Å; Q20-T119 VanDerWaalsContact O-CA 3.27Å; Q20-T119 WeakPolarHBondContact O-CA 3.37Å; Q20-T119 VanDerWaalsContact O-CB 3.23Å; Q20-T119 WeakPolarHBondContact O-CB 3.41Å; Q20-T119 WeakPolarHBondContact O-CG2 3.36Å; Q20-T119 PolarHBondContact O-OG1 3.23Å; V23-T119 HydrophobicContact CB-CG2 4.32Å; V23-T119 HydrophobicContact CG2-CG2 3.6Å; L33-T119 HydrophobicContact CD2-CG2 3.82Å; C102-T119 CarbonylContact C-O 3.27Å; C102-T119 VanDerWaalsContact CA-O 3.29Å; C102-T119 WeakPolarHBondContact CA-O 3.14Å; Y103-T119 PolarHBondContact N-O 2.84Å; Y103-T119 PolarHBondContact O-N 2.81Å
120C97.9Very high90.4Very high31 Ų3171.7 Ų71.721%0.20938%0.381CS..EExtended strand (participates in β ladder)trans-109.1122.1173.2-58.10000111.4Q21 M22 V23 G101 C102Q21-C120 PolarHBondContact O-N 2.9Å; M22-C120 CarbonylContact C-O 3.58Å; M22-C120 VanDerWaalsContact CA-O 3.32Å; M22-C120 WeakPolarHBondContact CA-O 3.41Å; V23-C120 PolarHBondContact N-O 3.46Å; G101-C120 CarbonylContact O-C 3.58Å; G101-C120 WeakPolarHBondContact O-CA 3.05Å; C102-C120 HydrophobicContact CB-CB 4.15Å; C102-C120 WeakPolarHBondContact CB-SG 3.46Å; C102-C120 WeakPolarHBondContact SG-CB 3.24Å; C102-C120 CovalentContact SG-SG 2.06Å; C102-C120 PolarHBondContact SG-SG 2.77Å
121L97.6Very high89.9Confident5 Ų569.3 Ų69.33%0.02638%0.378CS..EExtended strand (participates in β ladder)trans-87.4122175.417959.2000109.9V23 A25 T31 I92 V95 D99 G101 Y103 V123V23-L121 HydrophobicContact CB-CD1 4.33Å; V23-L121 HydrophobicContact CG1-CD1 4.12Å; V23-L121 CarbonylContact O-C 3.54Å; V23-L121 WeakPolarHBondContact O-CA 3.22Å; A25-L121 HydrophobicContact CB-CD1 3.94Å; T31-L121 HydrophobicContact CG2-CD1 3.86Å; T31-L121 HydrophobicContact CG2-CD2 3.83Å; I92-L121 HydrophobicContact CD1-CD2 3.89Å; V95-L121 HydrophobicContact CG1-CD2 4.49Å; V95-L121 HydrophobicContact CG2-CD2 4.44Å; D99-L121 HydrophobicContact CB-CD2 4.24Å; G101-L121 PolarHBondContact N-O 2.67Å; G101-L121 VanDerWaalsContact N-O 3.07Å; G101-L121 PolarHBondContact O-N 2.8Å; Y103-L121 HydrophobicContact CD2-CB 4.34Å; Y103-L121 HydrophobicContact CE2-CB 4.02Å; Y103-L121 HydrophobicContact CE2-CD2 4.38Å; L121-V123 HydrophobicContact CD2-CG2 4.35Å; L121-V123 HydrophobicContact CG-CG2 4.17Å
122K95.9Very high89.3Confident118 Ų11868.7 Ų68.751%0.51337%0.369SS..EExtended strand (participates in β ladder)trans-101128.7166.7-69.7-166.8-179.7166.30109.3M22 V23 S24 A25M22-K122 HydrophobicContact CE-CD 3.63Å; M22-K122 HydrophobicContact CE-CG 4.41Å; M22-K122 HydrophobicContact CG-CD 4.35Å; M22-K122 HydrophobicContact CG-CG 4.3Å; M22-K122 HydrophobicContact SD-CD 3.63Å; M22-K122 WeakPolarHBondContact SD-CE 3.38Å; M22-K122 HydrophobicContact SD-CG 4.2Å; M22-K122 PolarHBondContact SD-NZ 2.98Å; V23-K122 PolarHBondContact O-N 3.5Å; S24-K122 CarbonylContact C-O 3.49Å; S24-K122 VanDerWaalsContact CA-O 3.25Å; S24-K122 WeakPolarHBondContact CA-O 3.23Å; A25-K122 PolarHBondContact N-O 2.85Å
123V95.3Very high89Confident19 Ų1968 Ų6812%0.11537%0.368CS..EExtended strand (participates in β ladder)trans-102.1135.7177.1-177.60000108.6A25 V27 V95 A100 L121A25-V123 WeakPolarHBondContact O-CA 3.41Å; V27-V123 HydrophobicContact CG2-CG1 3.47Å; V27-V123 VanDerWaalsContact CG2-CG1 3.47Å; V95-V123 HydrophobicContact CG1-CB 4.25Å; V95-V123 HydrophobicContact CG1-CG1 3.79Å; V95-V123 HydrophobicContact CG1-CG2 3.46Å; V95-V123 VanDerWaalsContact CG1-CG2 3.46Å; A100-V123 HydrophobicContact CB-CB 4.27Å; A100-V123 HydrophobicContact CB-CG2 3.85Å; L121-V123 HydrophobicContact CD2-CG2 4.35Å; L121-V123 HydrophobicContact CG-CG2 4.17Å
124Y91.3Very high88.6Confident76 Ų7668.7 Ų68.730%0.29837%0.368SS..EExtended strand (participates in β ladder)trans-127.8149.4175.462.6-86.8000111.7A25 A26 V27 L126 R151A25-Y124 VanDerWaalsContact O-CD1 3.22Å; A25-Y124 WeakPolarHBondContact O-CD1 3.28Å; A25-Y124 WeakPolarHBondContact O-CE1 3.44Å; A25-Y124 PolarHBondContact O-N 3.32Å; A26-Y124 CarbonylContact C-O 3.59Å; A26-Y124 VanDerWaalsContact CA-O 3.24Å; A26-Y124 WeakPolarHBondContact CA-O 3.21Å; A26-Y124 HydrophobicContact CB-CD2 4.13Å; A26-Y124 HydrophobicContact CB-CE1 4.46Å; A26-Y124 HydrophobicContact CB-CE2 3.61Å; V27-Y124 PolarHBondContact N-O 3.09Å; Y124-L126 HydrophobicContact CD2-CD1 4.44Å; Y124-L126 HydrophobicContact CD2-CD2 4.28Å; Y124-L126 HydrophobicContact CD2-CG 3.98Å; Y124-L126 HydrophobicContact CE2-CD1 4.01Å; Y124-L126 HydrophobicContact CE2-CG 4.06Å; Y124-R151 CarbonylContact C-O 3.58Å; Y124-R151 WeakPolarHBondContact CA-O 3.4Å; Y124-R151 WeakPolarHBondContact CB-O 3.07Å
125E85.3Confident87.8Confident49 Ų4976.4 Ų76.423%0.22939%0.386CS..EExtended strand (participates in β ladder)trans-113.5134.1171.1-71.7-173.5165.600108.6V27 Y127 G150 R151V27-E125 HydrophobicContact CB-CG 4Å; V27-E125 HydrophobicContact CG2-CG 3.4Å; E125-Y127 HydrophobicContact CB-CE1 4.47Å; E125-Y127 PolarHBondContact OE2-OH 3.35Å; E125-G150 CarbonylContact O-C 3.48Å; E125-G150 WeakPolarHBondContact O-CA 3.49Å; E125-R151 HydrophobicContact CB-CB 4.15Å; E125-R151 PolarHBondContact N-O 2.79Å; E125-R151 PolarHBondContact O-N 3.12Å
126L78.2Confident87Confident134 Ų13475.7 Ų75.770%0.70238%0.384SS*.EExtended strand (participates in β ladder)trans-107.2118.1171.2-64.9175.7000108Y124Y124-L126 HydrophobicContact CD2-CD1 4.44Å; Y124-L126 HydrophobicContact CD2-CD2 4.28Å; Y124-L126 HydrophobicContact CD2-CG 3.98Å; Y124-L126 HydrophobicContact CE2-CD1 4.01Å; Y124-L126 HydrophobicContact CE2-CG 4.06Å
127Y77.9Confident86Confident111 Ų11180.8 Ų80.844%0.43541%0.409SS..EExtended strand (participates in β ladder)trans-88129.1167.7-51.9-66.3000107.4E125 T149E125-Y127 HydrophobicContact CB-CE1 4.47Å; E125-Y127 PolarHBondContact OE2-OH 3.35Å; Y127-T149 WeakPolarHBondContact CB-O 3.46Å; Y127-T149 WeakPolarHBondContact CB-OG1 3.39Å; Y127-T149 WeakPolarHBondContact CD2-OG1 3.47Å; Y127-T149 PolarHBondContact N-O 2.83Å
128G69.8Low85Confident58 Ų5884 Ų8460%0.59843%0.431SS*.EExtended strand (participates in β ladder)trans-54.1158.6-178.900000112.7F130G128-F130 PolarHBondContact O-N 2.9Å
129P76.4Confident83.6Confident90 Ų9085.4 Ų85.458%0.58445%0.448SS*.EExtended strand (participates in β ladder)trans-62.6127.1-178.926-33.1000110.2S147P129-S147 CarbonylContact C-O 3.6Å; P129-S147 VanDerWaalsContact CA-O 3.29Å; P129-S147 WeakPolarHBondContact CA-O 3.29Å
130F79.2Confident82.4Confident107 Ų10793.9 Ų93.947%0.46949%0.493SS..EExtended strand (participates in β ladder)trans-89.5129.916668-91000109G128 S147 T149G128-F130 PolarHBondContact O-N 2.9Å; F130-S147 WeakPolarHBondContact CD1-O 3.48Å; F130-S147 PolarHBondContact N-O 3.06Å; F130-S147 PolarHBondContact O-N 2.9Å; F130-T149 HydrophobicContact CE1-CG2 4.22Å
131I81.6Confident81Confident115 Ų11593.4 Ų93.459%0.5949%0.493SS*.EExtended strand (participates in β ladder)trans-106.6115.9176.6-62173.6000107.1V133 V144 T145I131-V133 HydrophobicContact CG2-CG2 3.99Å; I131-V144 HydrophobicContact CG2-CG1 3.8Å; I131-T145 CarbonylContact C-O 3.59Å; I131-T145 WeakPolarHBondContact CA-O 3.37Å
132D83.2Confident80.3Confident87 Ų8798.8 Ų98.847%0.46552%0.521SS..EExtended strand (participates in β ladder)trans-102.5134.6170-177.939.5000109.8T145D132-T145 PolarHBondContact N-O 3.11Å; D132-T145 PolarHBondContact O-N 2.94Å
133V84.4Confident79.8Confident78 Ų7896.2 Ų96.247%0.47352%0.515SS..EExtended strand (participates in β ladder)trans-122.6107.6-177.2-178.50000107.8I131 L142 V143I131-V133 HydrophobicContact CG2-CG2 3.99Å; V133-L142 HydrophobicContact CG1-CD1 3.63Å; V133-L142 HydrophobicContact CG1-CD2 3.42Å; V133-L142 VanDerWaalsContact CG1-CD2 3.42Å; V133-L142 HydrophobicContact CG1-CG 3.52Å; V133-V143 WeakPolarHBondContact CA-O 3.33Å
134S85.3Confident79.3Confident47 Ų4799.6 Ų99.633%0.32954%0.536SS..EExtended strand (participates in β ladder)trans-114.5151.4179.957.20000111.4V143S134-V143 PolarHBondContact N-O 2.8Å; S134-V143 PolarHBondContact O-N 2.89Å
135R78.9Confident79Confident214 Ų21498.7 Ų98.781%0.80854%0.538SS*.EExtended strand (participates in β ladder)trans-73.6129.1174.4-173.2-176.5-70-121.5-0108.5
136S79.8Confident78.9Confident24 Ų24100.5 Ų100.517%0.16856%0.555CS.*  trans-73.3167.3174.481.60000110.7S138 G141S136-S138 PolarHBondContact O-N 2.87Å; S136-S138 VanDerWaalsContact O-N 3.12Å; S136-S138 PolarHBondContact OG-N 2.92Å; S136-S138 PolarHBondContact OG-OG 2.77Å; S136-G141 WeakPolarHBondContact CB-O 3.05Å; S136-G141 PolarHBondContact N-O 3.26Å; S136-G141 WeakPolarHBondContact OG-CA 3.42Å; S136-G141 PolarHBondContact OG-O 2.79Å; S136-G141 VanDerWaalsContact OG-O 3.06Å
137N76.7Confident79Confident183 Ų18396 Ų9698%0.97954%0.535SS*.SBendtrans-70.52.2171.3-77.4-8.2000114
138S74.3Confident79.1Confident72 Ų7294.3 Ų94.350%0.50354%0.544SS..SBendtrans-97.9150.5175.958.70000111.5S136 L140 G141S136-S138 PolarHBondContact O-N 2.87Å; S136-S138 VanDerWaalsContact O-N 3.12Å; S136-S138 PolarHBondContact OG-N 2.92Å; S136-S138 PolarHBondContact OG-OG 2.77Å; S138-L140 PolarHBondContact O-N 2.83Å; S138-G141 PolarHBondContact O-N 2.83Å; S138-G141 WeakPolarHBondContact OG-CA 3.41Å; S138-G141 PolarHBondContact OG-N 2.94Å
139L68.8Low79.5Confident176 Ų17695.1 Ų95.192%0.92154%0.537SS*.THydrogen-bonded Turntrans-55.6-21.8-170.5-65.5159.9000114.5
140L72.5Confident79.5Confident178 Ų17891.5 Ų91.593%0.93252%0.516SS*.THydrogen-bonded Turntrans-139.113.1-179.1-69.3169.9000113.3S138S138-L140 PolarHBondContact O-N 2.83Å
141G69.1Low79.4Confident20 Ų2092.9 Ų92.921%0.20652%0.518CS..  trans-91.5144.6-17500000113.3S136 S138S136-G141 WeakPolarHBondContact CB-O 3.05Å; S136-G141 PolarHBondContact N-O 3.26Å; S136-G141 WeakPolarHBondContact OG-CA 3.42Å; S136-G141 PolarHBondContact OG-O 2.79Å; S136-G141 VanDerWaalsContact OG-O 3.06Å; S138-G141 PolarHBondContact O-N 2.83Å; S138-G141 WeakPolarHBondContact OG-CA 3.41Å; S138-G141 PolarHBondContact OG-N 2.94Å
142L81.7Confident79.1Confident118 Ų11892.1 Ų92.162%0.61852%0.521SS*.EExtended strand (participates in β ladder)trans-119.8133.4174.3-158.480.5000107.5V133 V144V133-L142 HydrophobicContact CG1-CD1 3.63Å; V133-L142 HydrophobicContact CG1-CD2 3.42Å; V133-L142 VanDerWaalsContact CG1-CD2 3.42Å; V133-L142 HydrophobicContact CG1-CG 3.52Å; L142-V144 HydrophobicContact CD2-CG2 4.07Å
143V85.5Confident78.5Confident64 Ų6494.2 Ų94.239%0.38854%0.536SS..EExtended strand (participates in β ladder)trans-101.7122.4169.8-179.40000107.3V133 S134V133-V143 WeakPolarHBondContact CA-O 3.33Å; S134-V143 PolarHBondContact N-O 2.8Å; S134-V143 PolarHBondContact O-N 2.89Å
144V85.9Confident77.2Confident91 Ų9195 Ų9555%0.55255%0.545SS*.EExtended strand (participates in β ladder)trans-107.4114.6174.6-177.10000107.3I131 L142I131-V144 HydrophobicContact CG2-CG1 3.8Å; L142-V144 HydrophobicContact CD2-CG2 4.07Å
145T85.6Confident75.6Confident57 Ų57100.5 Ų100.535%0.3557%0.568SS.*EExtended strand (participates in β ladder)trans-103.5117.9176.1-51.80000108.1I131 D132I131-T145 CarbonylContact C-O 3.59Å; I131-T145 WeakPolarHBondContact CA-O 3.37Å; D132-T145 PolarHBondContact N-O 3.11Å; D132-T145 PolarHBondContact O-N 2.94Å
146C81.5Confident74.2Confident87 Ų8797 Ų9759%0.58857%0.57SS**EExtended strand (participates in β ladder)trans-101.7132.1170-174.40000108.2
147S80.4Confident72.2Confident40 Ų40104.6 Ų104.628%0.2862%0.616SS.*EExtended strand (participates in β ladder)trans-144.7142.2-179.8-72.50000110P129 F130P129-S147 CarbonylContact C-O 3.6Å; P129-S147 VanDerWaalsContact CA-O 3.29Å; P129-S147 WeakPolarHBondContact CA-O 3.29Å; F130-S147 WeakPolarHBondContact CD1-O 3.48Å; F130-S147 PolarHBondContact N-O 3.06Å; F130-S147 PolarHBondContact O-N 2.9Å
148A81.6Confident72Confident75 Ų75100.7 Ų100.762%0.6260%0.597SS**EExtended strand (participates in β ladder)trans-124.4145.3177.800000108.7
149T76.9Confident71.8Confident75 Ų75102.2 Ų102.246%0.4660%0.602SS.*EExtended strand (participates in β ladder)trans-123.4155.817452.30000109Y127 F130Y127-T149 WeakPolarHBondContact CB-O 3.46Å; Y127-T149 WeakPolarHBondContact CB-OG1 3.39Å; Y127-T149 WeakPolarHBondContact CD2-OG1 3.47Å; Y127-T149 PolarHBondContact N-O 2.83Å; F130-T149 HydrophobicContact CE1-CG2 4.22Å
150G77.1Confident72Confident14 Ų1498.1 Ų98.114%0.14459%0.585CS.*EExtended strand (participates in β ladder)trans-154.9166.1175.700000111E125 P152E125-G150 CarbonylContact O-C 3.48Å; E125-G150 WeakPolarHBondContact O-CA 3.49Å; G150-P152 CarbonylContact O-C 3.56Å
151R76.8Confident72Confident136 Ų13693.4 Ų93.451%0.51356%0.564SS.*EExtended strand (participates in β ladder)trans-116.7129.8173.7-164.5171.3174.5-132.10.1108.6D97 Y124 E125D97-R151 IonicContact OD1-NH1 2.68Å; D97-R151 IonicContact OD2-CZ 3.67Å; D97-R151 IonicContact OD2-NH1 3.94Å; D97-R151 PolarHBondContact OD2-NH1 3.04Å; Y124-R151 CarbonylContact C-O 3.58Å; Y124-R151 WeakPolarHBondContact CA-O 3.4Å; Y124-R151 WeakPolarHBondContact CB-O 3.07Å; E125-R151 HydrophobicContact CB-CB 4.15Å; E125-R151 PolarHBondContact N-O 2.79Å; E125-R151 PolarHBondContact O-N 3.12Å
152P74.5Confident72.2Confident98 Ų9898 Ų9864%0.63659%0.587SS**SBendcis-66.8157.9-5.930.4-34.4000111.9G150 S154G150-P152 CarbonylContact O-C 3.56Å; P152-S154 PolarHBondContact O-N 3.43Å
153V70.5Confident71.5Confident131 Ų13196.7 Ų96.779%0.79459%0.585SS**  trans-51.9127.5177.81770000108.9M155V153-M155 PolarHBondContact O-N 2.73Å
154S58.5Low70.5Confident95 Ų9599 Ų9966%0.66460%0.599SS**  trans-57.9111.3178.2-47.80000109.3P152 V156P152-S154 PolarHBondContact O-N 3.43Å; S154-V156 PolarHBondContact O-N 3.21Å
155M50.5Low69.3Low163 Ų16399.6 Ų99.680%0.80360%0.602SS**  trans-87106.8174.5-165.6167.768.400107.9V153 T157V153-M155 PolarHBondContact O-N 2.73Å; M155-T157 HydrophobicContact CE-CG2 4.16Å; M155-T157 HydrophobicContact CG-CG2 4.32Å; M155-T157 PolarHBondContact O-N 2.92Å
156V50.9Low68Low141 Ų141103.2 Ų103.286%0.85562%0.623SS**  trans-83105.5170.6-173.30000106.8S154S154-V156 PolarHBondContact O-N 3.21Å
157T36.6Very low66.7Low183 Ų183104.6 Ų104.6100%1.12363%0.627SS**  trans-99.70168.346.40000110.8M155M155-T157 HydrophobicContact CE-CG2 4.16Å; M155-T157 HydrophobicContact CG-CG2 4.32Å; M155-T157 PolarHBondContact O-N 2.92Å

Retrieved 157 of 157 residues in 45.2 ms (Link to these results)

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