A0A087WQZ9_MOUSE Loading...

Lymphocyte antigen 96

AlphaFold DB , UniProt , Accession A0A087WQZ9, Species MOUSE (Mus musculus, Mouse), Gene Ly96, Length 142 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
1M41.9Very low46.7Very low233 Ų233158.8 Ų158.8100%1.14883%0.828SS**  099.30-49.6-171.3-61.900104.9
2L38.7Very low46.8Very low167 Ų167152.6 Ų152.687%0.87481%0.808SS**  60.1140.178.3-104.179.5000112.9
3P49.4Very low46.9Very low92 Ų92149.6 Ų149.660%0.59780%0.803SS**  -132.2164.4-104.733.6-15.5000114.8I5P3-I5 HydrophobicContact CG-CG1 4.14Å; P3-I5 PolarHBondContact O-N 3.44Å
4F44Very low47.3Very low214 Ų214149.9 Ų149.994%0.93980%0.802SS**  trans-7395165.7-78.8-87.8000110.1
5I51.5Low47.1Very low137 Ų137150.5 Ų150.570%0.70380%0.804SS**  trans-77.3131.8172.8-66-179.6000109.2P3P3-I5 HydrophobicContact CG-CG1 4.14Å; P3-I5 PolarHBondContact O-N 3.44Å
6L51.6Low46.8Very low157 Ų157148.6 Ų148.682%0.82280%0.8SS**  trans-69.3130.4175.8-63.180.1000109.9
7F48.9Very low46.8Very low198 Ų198148.5 Ų148.587%0.86879%0.793SS**  trans-153105.1161-133.1-85.6000112.1
8S45.3Very low46.9Very low102 Ų102146.1 Ų146.171%0.71379%0.79SS**SBendtrans-177.3138.4131.5-82.60000112.3
9T49.7Very low47.5Very low119 Ų119142.5 Ų142.573%0.7377%0.767SS**  trans49.682.2153.7570000117.8L11T9-L11 PolarHBondContact O-N 3.34Å
10L44.2Very low48.4Very low178 Ų178144 Ų14493%0.93277%0.766SS**  trans-63.469.3138.2-80.4163.8000109.3S12L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 2.88Å
11L48.4Very low49.1Very low150 Ų150142.1 Ų142.179%0.78575%0.753SS**  trans-90.275.4170.9-165.674.3000108.2T9 P13T9-L11 PolarHBondContact O-N 3.34Å; L11-P13 WeakPolarHBondContact O-CD 2.95Å
12S47.8Very low50.6Low84 Ų84134.8 Ų134.859%0.58772%0.716SS**  trans-52.6123168.4-59.20000108.3L10 I14L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 2.88Å; S12-I14 PolarHBondContact O-N 3.14Å
13P48.1Very low52.6Low114 Ų114129.4 Ų129.474%0.7468%0.684SS**  trans-63.2110.3170.226.2-31.6000106.9L11 L15L11-P13 WeakPolarHBondContact O-CD 2.95Å; P13-L15 PolarHBondContact O-N 3.06Å
14I53.4Low54.5Low154 Ų154130.1 Ų130.179%0.7968%0.678SS**  trans-67.490.9165.4-60.1176.6000104.8S12 T16S12-I14 PolarHBondContact O-N 3.14Å; I14-T16 PolarHBondContact O-N 2.83Å
15L43.4Very low56.7Low159 Ų159120.5 Ų120.583%0.83264%0.638SS**  trans-71.287173-158.682.8000105.9P13 E17P13-L15 PolarHBondContact O-N 3.06Å; L15-E17 PolarHBondContact O-N 2.71Å
16T43.2Very low58.7Low120 Ų120118.2 Ų118.274%0.73663%0.627SS**  trans-55.2106.4176.8-52.10000107.6I14 S18I14-T16 PolarHBondContact O-N 2.83Å; T16-S18 VanDerWaalsContact C-N 3.34Å; T16-S18 PolarHBondContact O-N 3.26Å
17E45.5Very low60.5Low146 Ų146111.5 Ų111.568%0.68259%0.593SS**  trans-62.798.9178.3-176.3-175.2-132.700106.9L15 E19 K41L15-E17 PolarHBondContact O-N 2.71Å; E17-E19 PolarHBondContact O-N 2.75Å; E17-E19 VanDerWaalsContact O-N 3.12Å; E17-K41 IonicContact OE2-NZ 3.94Å; E17-K41 PolarHBondContact OE2-NZ 2.88Å
18S49.8Very low62.5Low105 Ų105106 Ų10673%0.73458%0.579SS**  trans-52.5122.3178.1179.10000108.2T16 K20T16-S18 VanDerWaalsContact C-N 3.34Å; T16-S18 PolarHBondContact O-N 3.26Å; S18-K20 PolarHBondContact O-N 2.69Å
19E58.7Low64.6Low78 Ų78101.2 Ų101.236%0.36455%0.545SS..  trans-47.2114.4-179.8-82.1-155143.100109.2E17 Q21 S35E17-E19 PolarHBondContact O-N 2.75Å; E17-E19 VanDerWaalsContact O-N 3.12Å; E19-Q21 PolarHBondContact O-N 2.78Å; E19-S35 WeakPolarHBondContact OE2-CB 3.16Å; E19-S35 PolarHBondContact OE2-OG 3.03Å
20K64Low66.5Low172 Ų17295.6 Ų95.675%0.74851%0.511SS*.  trans-73.599.3-176-170.4178.7-179.4-176.90107.9S18 Q22S18-K20 PolarHBondContact O-N 2.69Å; K20-Q22 PolarHBondContact O-N 3.36Å
21Q63.2Low68.8Low105 Ų10588.7 Ų88.749%0.49147%0.474SS..  trans-52.6109.4174.1-174.4-179.6-29.700108.9E19E19-Q21 PolarHBondContact O-N 2.78Å
22Q74.8Confident70.9Confident80 Ų8081.9 Ų81.937%0.37444%0.439SS..  trans-81.2-29.9-162.5179.362.622.100111.7K20 Y34 Y36K20-Q22 PolarHBondContact O-N 3.36Å; Q22-Y34 HydrophobicContact CB-CD2 4.11Å; Q22-Y34 HydrophobicContact CB-CE2 3.68Å; Q22-Y34 HydrophobicContact CG-CE2 3.73Å; Q22-Y34 PolarHBondContact N-O 3.1Å; Q22-Y36 HydrophobicContact CB-CD2 4.49Å; Q22-Y36 HydrophobicContact CB-CE2 4.08Å; Q22-Y36 HydrophobicContact CG-CE2 3.79Å
23W80.3Confident73Confident53 Ų5378.6 Ų78.620%0.20142%0.416CS..EExtended strand (participates in β ladder)trans-149.9158.2176.7-179.976.1000111.4C25 I32 S33 Y34 S48W23-C25 HydrophobicContact CH2-CB 3.72Å; W23-C25 WeakPolarHBondContact CH2-SG 3.21Å; W23-C25 HydrophobicContact CZ2-CB 3.52Å; W23-C25 HydrophobicContact CZ3-CB 4.47Å; W23-I32 HydrophobicContact CZ3-CB 4.46Å; W23-I32 HydrophobicContact CZ3-CG2 3.98Å; W23-S33 WeakPolarHBondContact O-CA 3.44Å; W23-S33 VanDerWaalsContact O-CB 3.25Å; W23-S33 WeakPolarHBondContact O-CB 3.17Å; W23-Y34 HydrophobicContact CB-CD1 4.09Å; W23-Y34 HydrophobicContact CB-CE1 3.47Å; W23-Y34 VanDerWaalsContact CB-CE1 3.47Å; W23-Y34 HydrophobicContact CD2-CE1 4.11Å; W23-Y34 AromaticContact CE3-CD1 3.84Å; W23-Y34 HydrophobicContact CE3-CD1 3.84Å; W23-Y34 AromaticContact CE3-CE1 3.76Å; W23-Y34 HydrophobicContact CE3-CE1 3.76Å; W23-Y34 HydrophobicContact CG-CE1 4.06Å; W23-Y34 PolarHBondContact O-N 3.04Å; W23-S48 WeakPolarHBondContact CH2-OG 3.48Å
24F89.7Confident74.9Confident107 Ų10773.3 Ų73.347%0.46938%0.381SS..EExtended strand (participates in β ladder)trans-152.9137-179.9173.6-92.7000109.5N26 I31 I32F24-N26 HydrophobicContact CE1-CB 3.95Å; F24-N26 HydrophobicContact CZ-CB 4.23Å; F24-I31 HydrophobicContact CD2-CG2 3.99Å; F24-I31 HydrophobicContact CE2-CG2 3.28Å; F24-I31 HydrophobicContact CZ-CG2 3.85Å; F24-I32 CarbonylContact C-O 3.57Å; F24-I32 WeakPolarHBondContact CA-O 3.37Å
25C90.3Very high76.6Confident13 Ų1366.7 Ų66.79%0.08835%0.348CS..EExtended strand (participates in β ladder)trans-138153.3165.291.30000111.8W23 I32 C51W23-C25 HydrophobicContact CH2-CB 3.72Å; W23-C25 WeakPolarHBondContact CH2-SG 3.21Å; W23-C25 HydrophobicContact CZ2-CB 3.52Å; W23-C25 HydrophobicContact CZ3-CB 4.47Å; C25-I32 PolarHBondContact N-O 2.98Å; C25-I32 PolarHBondContact O-N 2.79Å; C25-C51 HydrophobicContact CB-CB 3.6Å; C25-C51 WeakPolarHBondContact CB-SG 3.2Å; C25-C51 VanDerWaalsContact SG-CA 3.57Å; C25-C51 WeakPolarHBondContact SG-CB 3.39Å; C25-C51 CovalentContact SG-SG 2.03Å; C25-C51 PolarHBondContact SG-SG 2.89Å
26N92Very high78.5Confident89 Ų8960.8 Ų60.848%0.47632%0.315SS..EExtended strand (participates in β ladder)trans-128.9117.7-175.1-175.7-25.6000108F24 C51 R138F24-N26 HydrophobicContact CE1-CB 3.95Å; F24-N26 HydrophobicContact CZ-CB 4.23Å; N26-C51 PolarHBondContact N-SG 3.32Å; N26-R138 PolarHBondContact OD1-NH1 2.75Å; N26-R138 PolarHBondContact OD1-NH2 3.05Å
27S91Very high80.4Confident16 Ų1656.3 Ų56.311%0.11229%0.289CS..  trans-111-172.2176.7750000110.6A30 I52 R138S27-A30 PolarHBondContact N-O 2.88Å; S27-A30 PolarHBondContact OG-N 2.65Å; S27-A30 PolarHBondContact OG-O 3.22Å; S27-I52 WeakPolarHBondContact CB-O 3.32Å; S27-I52 PolarHBondContact OG-O 3.29Å; S27-R138 PolarHBondContact O-NH2 3.26Å
28S90.2Very high81.3Confident81 Ų8154.9 Ų54.957%0.56629%0.286SS*.SBendtrans-74.6-23.4-178.150.20000114.7R53S28-R53 PolarHBondContact OG-NE 3.49Å
29D88.6Confident82.2Confident3 Ų358.3 Ų58.32%0.01629%0.29CS..SBendtrans-120.7-22.2178.955.426.9000113.8R53 L54 R55 H137 R138 R139D29-R53 WeakPolarHBondContact OD1-CA 3.02Å; D29-L54 PolarHBondContact OD1-N 3.07Å; D29-L54 PolarHBondContact OD2-N 3.26Å; D29-R55 PolarHBondContact OD2-N 3.02Å; D29-H137 PolarHBondContact O-CD2 3.25Å; D29-R138 PolarHBondContact O-N 3.48Å; D29-R139 PolarHBondContact O-N 2.74Å
30A89.9Confident82.3Confident0 Ų056.4 Ų56.40%028%0.282CS..EExtended strand (participates in β ladder)trans-121.1158.2-175.200000113.6S27 I32 L54 I136 R138S27-A30 PolarHBondContact N-O 2.88Å; S27-A30 PolarHBondContact OG-N 2.65Å; S27-A30 PolarHBondContact OG-O 3.22Å; A30-I32 HydrophobicContact CB-CG1 4.43Å; A30-L54 HydrophobicContact CB-CD1 3.79Å; A30-L54 HydrophobicContact CB-CG 3.91Å; A30-I136 CarbonylContact C-O 3.55Å; A30-I136 WeakPolarHBondContact CA-O 3.39Å; A30-R138 PolarHBondContact O-NH2 2.04Å
31I92.3Very high82.2Confident33 Ų3354.8 Ų54.817%0.16928%0.275CS..EExtended strand (participates in β ladder)trans-122134.2158.5-63.4174000106.1F24 I135 I136F24-I31 HydrophobicContact CD2-CG2 3.99Å; F24-I31 HydrophobicContact CE2-CG2 3.28Å; F24-I31 HydrophobicContact CZ-CG2 3.85Å; I31-I135 CarbonylContact O-C 3.45Å; I31-I135 WeakPolarHBondContact O-CA 3.2Å; I31-I136 HydrophobicContact CB-CB 4.29Å; I31-I136 PolarHBondContact N-O 2.72Å; I31-I136 PolarHBondContact O-N 3.18Å
32I92.1Very high82.3Confident8 Ų853.2 Ų53.24%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-128.7137.3179.7-54.2-172.2000109.3W23 F24 C25 A30 I52 F133 T134 I135W23-I32 HydrophobicContact CZ3-CB 4.46Å; W23-I32 HydrophobicContact CZ3-CG2 3.98Å; F24-I32 CarbonylContact C-O 3.57Å; F24-I32 WeakPolarHBondContact CA-O 3.37Å; C25-I32 PolarHBondContact N-O 2.98Å; C25-I32 PolarHBondContact O-N 2.79Å; A30-I32 HydrophobicContact CB-CG1 4.43Å; I32-I52 HydrophobicContact CD1-CB 3.71Å; I32-I52 HydrophobicContact CD1-CD1 4.28Å; I32-I52 HydrophobicContact CD1-CG2 4.1Å; I32-F133 HydrophobicContact CG2-CD1 4.37Å; I32-T134 WeakPolarHBondContact CA-O 3.37Å; I32-I135 HydrophobicContact CD1-CG1 4.41Å; I32-I135 HydrophobicContact CG1-CG1 4.16Å; I32-I135 HydrophobicContact CG1-CG2 4.25Å; I32-I135 HydrophobicContact CG2-CG1 4.11Å
33S92.3Very high82.1Confident15 Ų1554.3 Ų54.311%0.10528%0.281CS..EExtended strand (participates in β ladder)trans-148168.2171.158.70000110.9W23 F133 T134W23-S33 WeakPolarHBondContact O-CA 3.44Å; W23-S33 VanDerWaalsContact O-CB 3.25Å; W23-S33 WeakPolarHBondContact O-CB 3.17Å; S33-F133 CarbonylContact O-C 3.53Å; S33-F133 VanDerWaalsContact O-CA 3.31Å; S33-F133 WeakPolarHBondContact O-CA 2.9Å; S33-T134 PolarHBondContact N-O 2.77Å; S33-T134 PolarHBondContact O-N 3.33Å
34Y89.3Confident81.9Confident2 Ų251.9 Ų51.91%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-142.2150.4164.263.7-96000112.1Q22 W23 I46 L131 N132 F133Q22-Y34 HydrophobicContact CB-CD2 4.11Å; Q22-Y34 HydrophobicContact CB-CE2 3.68Å; Q22-Y34 HydrophobicContact CG-CE2 3.73Å; Q22-Y34 PolarHBondContact N-O 3.1Å; W23-Y34 HydrophobicContact CB-CD1 4.09Å; W23-Y34 HydrophobicContact CB-CE1 3.47Å; W23-Y34 VanDerWaalsContact CB-CE1 3.47Å; W23-Y34 HydrophobicContact CD2-CE1 4.11Å; W23-Y34 AromaticContact CE3-CD1 3.84Å; W23-Y34 HydrophobicContact CE3-CD1 3.84Å; W23-Y34 AromaticContact CE3-CE1 3.76Å; W23-Y34 HydrophobicContact CE3-CE1 3.76Å; W23-Y34 HydrophobicContact CG-CE1 4.06Å; W23-Y34 PolarHBondContact O-N 3.04Å; Y34-I46 HydrophobicContact CE1-CB 4.03Å; Y34-I46 WeakPolarHBondContact CE1-O 3.12Å; Y34-I46 PolarHBondContact OH-N 2.03Å; Y34-I46 PolarHBondContact OH-O 3.35Å; Y34-L131 HydrophobicContact CD2-CD1 4.49Å; Y34-L131 HydrophobicContact CD2-CD2 3.79Å; Y34-L131 HydrophobicContact CE2-CD1 4.47Å; Y34-L131 HydrophobicContact CE2-CD2 3.92Å; Y34-N132 WeakPolarHBondContact CA-O 3.19Å; Y34-F133 HydrophobicContact CD1-CD1 4.06Å; Y34-F133 AromaticContact CD1-CE1 3.52Å; Y34-F133 HydrophobicContact CD1-CE1 3.52Å; Y34-F133 HydrophobicContact CD1-CZ 4Å; Y34-F133 HydrophobicContact CE1-CE1 4.33Å; Y34-F133 HydrophobicContact CG-CD1 4.36Å; Y34-F133 HydrophobicContact CG-CE1 4.09Å; Y34-F133 HydrophobicContact CG-CZ 4.37Å
35S87.4Confident81.4Confident15 Ų1549.4 Ų49.411%0.10527%0.267CS..EExtended strand (participates in β ladder)trans-105.7162.5156.658.50000109.9E19 N132E19-S35 WeakPolarHBondContact OE2-CB 3.16Å; E19-S35 PolarHBondContact OE2-OG 3.03Å; S35-N132 PolarHBondContact N-O 3.19Å; S35-N132 PolarHBondContact O-N 2.92Å
36Y84.6Confident81.2Confident35 Ų3550 Ų5014%0.13727%0.269CS..EExtended strand (participates in β ladder)trans-68150.2158.9-65.3-75.2000109Q22 F42 I44 L131Q22-Y36 HydrophobicContact CB-CD2 4.49Å; Q22-Y36 HydrophobicContact CB-CE2 4.08Å; Q22-Y36 HydrophobicContact CG-CE2 3.79Å; Y36-F42 WeakPolarHBondContact CE1-O 3.34Å; Y36-F42 PolarHBondContact OH-O 3.21Å; Y36-I44 HydrophobicContact CE1-CG2 3.76Å; Y36-I44 PolarHBondContact OH-N 3.05Å; Y36-I44 PolarHBondContact OH-O 3.18Å; Y36-I44 VanDerWaalsContact OH-O 3.09Å; Y36-L131 HydrophobicContact CD1-CD2 3.78Å; Y36-L131 HydrophobicContact CE1-CD2 3.94Å
37C82.1Confident81Confident26 Ų2647.5 Ų47.518%0.17626%0.259CS..  trans-72.7134.4166.9-46.20000109.9H39 L40 C130C37-H39 PolarHBondContact O-N 3.19Å; C37-L40 PolarHBondContact O-N 2.95Å; C37-C130 HydrophobicContact CB-CB 3.6Å; C37-C130 WeakPolarHBondContact CB-SG 3.47Å; C37-C130 PolarHBondContact N-O 2.72Å; C37-C130 WeakPolarHBondContact SG-CB 3.5Å; C37-C130 PolarHBondContact SG-O 2.76Å; C37-C130 VanDerWaalsContact SG-O 3.35Å; C37-C130 CovalentContact SG-SG 2.03Å; C37-C130 PolarHBondContact SG-SG 2.68Å
38D65.1Low80.9Confident116 Ų11647.4 Ų47.462%0.6226%0.258SS*.THydrogen-bonded Turntrans-30.1-37.6-175.7-79.2-68.9000117.7
39H68.1Low80.9Confident177 Ų17750 Ų5082%0.81926%0.261SS*.THydrogen-bonded Turntrans-99.7-8.7-168.8-53-30000115.2C37C37-H39 PolarHBondContact O-N 3.19Å
40L61.2Low81.1Confident39 Ų3953.2 Ų53.220%0.20428%0.283CS..  trans-136.468.9-169.5-76.3149.7000112.7C37 F42 K127 C130C37-L40 PolarHBondContact O-N 2.95Å; L40-F42 HydrophobicContact CD2-CD2 4.37Å; L40-F42 HydrophobicContact CD2-CE2 3.61Å; L40-F42 HydrophobicContact CD2-CZ 4.36Å; L40-F42 PolarHBondContact O-N 3.32Å; L40-K127 HydrophobicContact CD1-CB 3.57Å; L40-K127 HydrophobicContact CD1-CD 3.54Å; L40-K127 HydrophobicContact CD1-CG 4.13Å; L40-K127 HydrophobicContact CD2-CB 3.99Å; L40-K127 HydrophobicContact CG-CB 4.44Å; L40-C130 HydrophobicContact CB-CB 4.46Å; L40-C130 HydrophobicContact CD1-CB 4.32Å
41K61.6Low81.2Confident137 Ų13754.3 Ų54.360%0.59629%0.29SS*.  trans-82.181.5176.1-63.2-179-179.8178.40111.6E17E17-K41 IonicContact OE2-NZ 3.94Å; E17-K41 PolarHBondContact OE2-NZ 2.88Å
42F66.3Low81.1Confident73 Ų7354.6 Ų54.632%0.3229%0.291SS..  trans-102.5144.8166.7-64.9-63.5000110.7Y36 L40 I44 K68 L128Y36-F42 WeakPolarHBondContact CE1-O 3.34Å; Y36-F42 PolarHBondContact OH-O 3.21Å; L40-F42 HydrophobicContact CD2-CD2 4.37Å; L40-F42 HydrophobicContact CD2-CE2 3.61Å; L40-F42 HydrophobicContact CD2-CZ 4.36Å; L40-F42 PolarHBondContact O-N 3.32Å; F42-I44 PolarHBondContact O-N 3.2Å; F42-K68 VanDerWaalsContact CZ-NZ 3.32Å; F42-L128 WeakPolarHBondContact CD2-O 3.31Å
43P69.3Low80.9Confident102 Ų10259.6 Ų59.666%0.66231%0.31SS*.  trans-72.5100.4-179.829.7-34000111.2
44I76.3Confident80.6Confident3 Ų359.4 Ų59.42%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-128.6125.3168.3172.1163.4000109.7Y36 F42 I46 V63 E64 F65 F129 L131Y36-I44 HydrophobicContact CE1-CG2 3.76Å; Y36-I44 PolarHBondContact OH-N 3.05Å; Y36-I44 PolarHBondContact OH-O 3.18Å; Y36-I44 VanDerWaalsContact OH-O 3.09Å; F42-I44 PolarHBondContact O-N 3.2Å; I44-I46 HydrophobicContact CD1-CD1 3.99Å; I44-I46 HydrophobicContact CD1-CG1 4.05Å; I44-I46 HydrophobicContact CG1-CD1 4.34Å; I44-I46 HydrophobicContact CG1-CG1 3.88Å; I44-V63 HydrophobicContact CD1-CG1 4.34Å; I44-E64 WeakPolarHBondContact CA-O 3.3Å; I44-F65 HydrophobicContact CB-CB 3.85Å; I44-F65 HydrophobicContact CD1-CB 4.01Å; I44-F65 HydrophobicContact CD1-CG 4.2Å; I44-F65 HydrophobicContact CG1-CB 3.87Å; I44-F129 HydrophobicContact CD1-CD1 3.8Å; I44-F129 HydrophobicContact CD1-CD2 4.27Å; I44-F129 HydrophobicContact CD1-CE1 3.56Å; I44-F129 HydrophobicContact CD1-CE2 4.06Å; I44-F129 HydrophobicContact CD1-CG 4.15Å; I44-F129 HydrophobicContact CD1-CZ 3.69Å; I44-F129 HydrophobicContact CG2-CB 4.08Å; I44-F129 HydrophobicContact CG2-CG 4.24Å; I44-L131 HydrophobicContact CG2-CD2 4.11Å
45S80.4Confident80.5Confident54 Ų5464.4 Ų64.438%0.37833%0.327SS..EExtended strand (participates in β ladder)trans-104.4121.7173.2-164.10000108.9V63 E64S45-V63 WeakPolarHBondContact O-CA 3.46Å; S45-E64 PolarHBondContact N-O 3.22Å; S45-E64 PolarHBondContact O-N 3.1Å
46I84.5Confident80.4Confident25 Ų2564.4 Ų64.413%0.12833%0.329CS..EExtended strand (participates in β ladder)trans-120.9131.7170.7-54.5-170.6000107.7Y34 I44 V61 H62 V63 L131 F133Y34-I46 HydrophobicContact CE1-CB 4.03Å; Y34-I46 WeakPolarHBondContact CE1-O 3.12Å; Y34-I46 PolarHBondContact OH-N 2.03Å; Y34-I46 PolarHBondContact OH-O 3.35Å; I44-I46 HydrophobicContact CD1-CD1 3.99Å; I44-I46 HydrophobicContact CD1-CG1 4.05Å; I44-I46 HydrophobicContact CG1-CD1 4.34Å; I44-I46 HydrophobicContact CG1-CG1 3.88Å; I46-V61 HydrophobicContact CG2-CG1 3.6Å; I46-H62 WeakPolarHBondContact CA-O 3.35Å; I46-V63 HydrophobicContact CG1-CG1 4.39Å; I46-L131 HydrophobicContact CD1-CD1 3.47Å; I46-L131 VanDerWaalsContact CD1-CD1 3.47Å; I46-L131 HydrophobicContact CG1-CD1 4.19Å; I46-F133 HydrophobicContact CD1-CZ 4.42Å
47S88.9Confident80.6Confident37 Ų3763.2 Ų63.226%0.25933%0.325SS..EExtended strand (participates in β ladder)trans-140.6161.6168.769.80000110.6V61 H62S47-V61 CarbonylContact O-C 3.4Å; S47-V61 VanDerWaalsContact O-CA 3.32Å; S47-V61 WeakPolarHBondContact O-CA 3.3Å; S47-V61 WeakPolarHBondContact O-CG1 3.39Å; S47-H62 PolarHBondContact N-O 3.1Å; S47-H62 PolarHBondContact O-N 2.82Å
48S88.8Confident81Confident14 Ų1467.2 Ų67.210%0.09835%0.345CS..EExtended strand (participates in β ladder)trans-126.4129.1176.966.60000111.1W23 P50 C51 F60W23-S48 WeakPolarHBondContact CH2-OG 3.48Å; S48-P50 CarbonylContact C-O 3.55Å; S48-P50 CarbonylContact O-C 3.58Å; S48-P50 VanDerWaalsContact O-C 3.3Å; S48-P50 PolarHBondContact OG-O 2.86Å; S48-C51 PolarHBondContact O-N 2.94Å; S48-F60 CarbonylContact C-O 3.49Å; S48-F60 WeakPolarHBondContact CA-O 3.47Å
49E90.4Very high82.3Confident135 Ų13562.2 Ų62.263%0.63132%0.321SS*.EExtended strand (participates in β ladder)trans-119117.9172.3-169.5167.4174.800110.9G59 F60E49-G59 CarbonylContact O-C 3.3Å; E49-G59 WeakPolarHBondContact O-CA 3.08Å; E49-F60 PolarHBondContact N-O 3.11Å; E49-F60 PolarHBondContact O-N 2.91Å
50P92.4Very high83.2Confident71 Ų7158.8 Ų58.846%0.46130%0.304SS..SBendcis-69.9170.8-9.733-37.2000112.7S48 I52 T57 N58S48-P50 CarbonylContact C-O 3.55Å; S48-P50 CarbonylContact O-C 3.58Å; S48-P50 VanDerWaalsContact O-C 3.3Å; S48-P50 PolarHBondContact OG-O 2.86Å; P50-I52 PolarHBondContact O-N 2.8Å; P50-T57 HydrophobicContact CG-CG2 4.18Å; P50-N58 WeakPolarHBondContact CD-O 3.01Å
51C91.3Very high84.5Confident24 Ų2458.4 Ų58.416%0.16230%0.303CS..PPolyproline II helixtrans-59.9131.8171.2-179.80000111.6C25 N26 S48 R53C25-C51 HydrophobicContact CB-CB 3.6Å; C25-C51 WeakPolarHBondContact CB-SG 3.2Å; C25-C51 VanDerWaalsContact SG-CA 3.57Å; C25-C51 WeakPolarHBondContact SG-CB 3.39Å; C25-C51 CovalentContact SG-SG 2.03Å; C25-C51 PolarHBondContact SG-SG 2.89Å; N26-C51 PolarHBondContact N-SG 3.32Å; S48-C51 PolarHBondContact O-N 2.94Å; C51-R53 PolarHBondContact O-N 3.08Å
52I90.1Very high85.6Confident38 Ų3854.5 Ų54.520%0.19529%0.287CS..PPolyproline II helixtrans-59.6128.1-173.6-63.8163.9000112.2S27 I32 P50 F101 F103S27-I52 WeakPolarHBondContact CB-O 3.32Å; S27-I52 PolarHBondContact OG-O 3.29Å; I32-I52 HydrophobicContact CD1-CB 3.71Å; I32-I52 HydrophobicContact CD1-CD1 4.28Å; I32-I52 HydrophobicContact CD1-CG2 4.1Å; P50-I52 PolarHBondContact O-N 2.8Å; I52-F101 HydrophobicContact CD1-CE2 4.28Å; I52-F101 HydrophobicContact CD1-CZ 4.27Å; I52-F101 HydrophobicContact CG1-CE2 3.8Å; I52-F101 HydrophobicContact CG1-CZ 3.64Å; I52-F103 HydrophobicContact CG2-CE1 3.66Å; I52-F103 HydrophobicContact CG2-CZ 3.63Å
53R89.8Confident86.5Confident114 Ų11451.9 Ų51.943%0.4328%0.277SS..PPolyproline II helixtrans-101.2129.7167.6-62.7169.362.5-158.5-4.2109.7S28 D29 C51 R55 G56 T57 F103S28-R53 PolarHBondContact OG-NE 3.49Å; D29-R53 WeakPolarHBondContact OD1-CA 3.02Å; C51-R53 PolarHBondContact O-N 3.08Å; R53-R55 PolarHBondContact O-N 2.66Å; R53-G56 CarbonylContact O-C 3.59Å; R53-G56 PolarHBondContact O-N 2.69Å; R53-T57 WeakPolarHBondContact CA-OG1 3.44Å; R53-T57 PolarHBondContact N-OG1 2.88Å; R53-T57 PolarHBondContact O-OG1 2.88Å; R53-F103 VanDerWaalsContact O-CZ 3.23Å; R53-F103 WeakPolarHBondContact O-CZ 3.23Å
54L85.7Confident87.1Confident11 Ų1151.4 Ų51.46%0.05827%0.266CS..THydrogen-bonded Turntrans-75.7-18.2-176.5-72.2169.8000113.7D29 A30 G56 F108 I135 H137D29-L54 PolarHBondContact OD1-N 3.07Å; D29-L54 PolarHBondContact OD2-N 3.26Å; A30-L54 HydrophobicContact CB-CD1 3.79Å; A30-L54 HydrophobicContact CB-CG 3.91Å; L54-G56 PolarHBondContact O-N 2.88Å; L54-F108 HydrophobicContact CB-CD2 3.94Å; L54-F108 HydrophobicContact CB-CG 4.42Å; L54-F108 HydrophobicContact CD2-CD1 4.31Å; L54-F108 HydrophobicContact CD2-CD2 3.8Å; L54-F108 HydrophobicContact CD2-CE1 4.34Å; L54-F108 HydrophobicContact CD2-CE2 3.83Å; L54-F108 HydrophobicContact CD2-CG 4.05Å; L54-F108 HydrophobicContact CD2-CZ 4.11Å; L54-F108 HydrophobicContact CG-CD2 4.41Å; L54-F108 WeakPolarHBondContact O-CD2 3.04Å; L54-I135 HydrophobicContact CD1-CG2 3.89Å; L54-H137 HydrophobicContact CD1-CB 3.53Å; L54-H137 VanDerWaalsContact CD1-CD2 3.48Å; L54-H137 WeakPolarHBondContact CD1-CD2 3.44Å; L54-H137 VanDerWaalsContact CD1-CG 3.46Å
55R85.4Confident87.2Confident107 Ų10753.1 Ų53.140%0.40427%0.273SS..THydrogen-bonded Turntrans-65.3-21.3164.4-78.3-170175.2-158.21.3113.2D29 R53 V141 N142D29-R55 PolarHBondContact OD2-N 3.02Å; R53-R55 PolarHBondContact O-N 2.66Å; R55-V141 VanDerWaalsContact CZ-CG1 3.49Å; R55-V141 VanDerWaalsContact NH2-CG1 3.35Å; R55-V141 PolarHBondContact NH2-O 3.44Å; R55-N142 PolarHBondContact NH2-O 3.3Å
56G86.7Confident86.8Confident15 Ų1555.1 Ų55.116%0.15528%0.279CS..EExtended strand (participates in β ladder)trans142.5144.5-17900000112.1R53 L54 F103R53-G56 CarbonylContact O-C 3.59Å; R53-G56 PolarHBondContact O-N 2.69Å; L54-G56 PolarHBondContact O-N 2.88Å; G56-F103 CarbonylContact C-O 3.43Å; G56-F103 WeakPolarHBondContact CA-O 3.48Å
57T89.1Confident85.8Confident10 Ų1054.7 Ų54.76%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-148.8139.1-177.1-54.10000111.5P50 R53 F101 S102 F103P50-T57 HydrophobicContact CG-CG2 4.18Å; R53-T57 WeakPolarHBondContact CA-OG1 3.44Å; R53-T57 PolarHBondContact N-OG1 2.88Å; R53-T57 PolarHBondContact O-OG1 2.88Å; T57-F101 HydrophobicContact CG2-CE2 3.73Å; T57-F101 HydrophobicContact CG2-CZ 3.62Å; T57-S102 WeakPolarHBondContact O-CA 3.44Å; T57-F103 PolarHBondContact N-O 2.88Å; T57-F103 PolarHBondContact O-N 3.46Å
58N90.6Very high84.5Confident109 Ų10956 Ų5658%0.58328%0.278SS*.EExtended strand (participates in β ladder)trans-114.7135.3162.9-62-22.6000107.9P50 F101 S102P50-N58 WeakPolarHBondContact CD-O 3.01Å; N58-F101 WeakPolarHBondContact CA-O 3.28Å; N58-S102 VanDerWaalsContact OD1-CB 3.28Å; N58-S102 WeakPolarHBondContact OD1-CB 3.41Å; N58-S102 PolarHBondContact OD1-OG 2.83Å
59G91Very high82.6Confident12 Ų1259 Ų5912%0.12429%0.293CS..EExtended strand (participates in β ladder)trans177.9-161.9-176.300000113.8E49 P100 F101E49-G59 CarbonylContact O-C 3.3Å; E49-G59 WeakPolarHBondContact O-CA 3.08Å; G59-P100 WeakPolarHBondContact O-CA 3.35Å; G59-F101 VanDerWaalsContact C-CD1 3.41Å; G59-F101 VanDerWaalsContact C-CE1 3.43Å; G59-F101 PolarHBondContact N-O 2.81Å; G59-F101 VanDerWaalsContact O-CD1 3.31Å; G59-F101 WeakPolarHBondContact O-CD1 3Å; G59-F101 PolarHBondContact O-N 3.24Å
60F87.8Confident80.9Confident104 Ų10455.9 Ų55.946%0.45628%0.284SS..EExtended strand (participates in β ladder)trans-123141.3175.3-58.2-86.3000110.8S48 E49 I99 P100S48-F60 CarbonylContact C-O 3.49Å; S48-F60 WeakPolarHBondContact CA-O 3.47Å; E49-F60 PolarHBondContact N-O 3.11Å; E49-F60 PolarHBondContact O-N 2.91Å; F60-I99 CarbonylContact C-O 3.59Å; F60-I99 WeakPolarHBondContact CA-O 3.22Å; F60-P100 HydrophobicContact CD1-CB 4.04Å; F60-P100 HydrophobicContact CE1-CB 3.92Å
61V88.4Confident78.3Confident32 Ų3257 Ų5719%0.19428%0.282CS..EExtended strand (participates in β ladder)trans-99.6115.8163.8-175.40000107.5I46 S47 V63 I99 F101I46-V61 HydrophobicContact CG2-CG1 3.6Å; S47-V61 CarbonylContact O-C 3.4Å; S47-V61 VanDerWaalsContact O-CA 3.32Å; S47-V61 WeakPolarHBondContact O-CA 3.3Å; S47-V61 WeakPolarHBondContact O-CG1 3.39Å; V61-V63 HydrophobicContact CG1-CG2 3.87Å; V61-I99 PolarHBondContact N-O 3.11Å; V61-I99 PolarHBondContact O-N 2.8Å; V61-F101 HydrophobicContact CG2-CD1 3.59Å; V61-F101 HydrophobicContact CG2-CE1 3.91Å; V61-F101 HydrophobicContact CG2-CG 4.21Å
62H85.4Confident76.1Confident55 Ų5562.6 Ų62.626%0.25530%0.3SS..EExtended strand (participates in β ladder)trans-83.9128.9171.8-51.3-76.1000108.3I46 S47 T97 S98I46-H62 WeakPolarHBondContact CA-O 3.35Å; S47-H62 PolarHBondContact N-O 3.1Å; S47-H62 PolarHBondContact O-N 2.82Å; H62-T97 WeakPolarHBondContact CA-O 3.43Å; H62-S98 PolarHBondContact CE1-OG 2.66Å; H62-S98 PolarHBondContact ND1-OG 2.81Å
63V84.1Confident74.2Confident17 Ų1770.2 Ų70.210%0.10333%0.332CS..EExtended strand (participates in β ladder)trans-128.9119.7-179.6-170.20000108.4I44 S45 I46 V61 F65 N96 T97 I99I44-V63 HydrophobicContact CD1-CG1 4.34Å; S45-V63 WeakPolarHBondContact O-CA 3.46Å; I46-V63 HydrophobicContact CG1-CG1 4.39Å; V61-V63 HydrophobicContact CG1-CG2 3.87Å; V63-F65 HydrophobicContact CG1-CD1 3.72Å; V63-F65 HydrophobicContact CG1-CE1 3.97Å; V63-N96 WeakPolarHBondContact O-CA 3.43Å; V63-T97 PolarHBondContact N-O 2.82Å; V63-T97 PolarHBondContact O-N 2.88Å; V63-T97 VanDerWaalsContact O-N 3.1Å; V63-I99 HydrophobicContact CG2-CD1 3.9Å
64E82Confident72.9Confident92 Ų9273.3 Ų73.343%0.4335%0.351SS..EExtended strand (participates in β ladder)trans-123.6115.7175.3-176.8169.4-123.900110.2I44 S45 V95 N96I44-E64 WeakPolarHBondContact CA-O 3.3Å; S45-E64 PolarHBondContact N-O 3.22Å; S45-E64 PolarHBondContact O-N 3.1Å; E64-V95 CarbonylContact C-O 3.59Å; E64-V95 VanDerWaalsContact CA-O 3.26Å; E64-V95 WeakPolarHBondContact CA-O 3.37Å; E64-N96 HydrophobicContact CG-CB 4.38Å; E64-N96 PolarHBondContact OE1-ND2 3.05Å
65F79.2Confident71.9Confident40 Ų4075.1 Ų75.118%0.17536%0.362CS..EExtended strand (participates in β ladder)trans-160168.6-179.675-66000112.3I44 V63 P67 V95 F129I44-F65 HydrophobicContact CB-CB 3.85Å; I44-F65 HydrophobicContact CD1-CB 4.01Å; I44-F65 HydrophobicContact CD1-CG 4.2Å; I44-F65 HydrophobicContact CG1-CB 3.87Å; V63-F65 HydrophobicContact CG1-CD1 3.72Å; V63-F65 HydrophobicContact CG1-CE1 3.97Å; F65-P67 HydrophobicContact CD2-CB 4.35Å; F65-P67 HydrophobicContact CE2-CB 3.74Å; F65-P67 HydrophobicContact CZ-CB 4.34Å; F65-V95 HydrophobicContact CD1-CB 3.88Å; F65-V95 HydrophobicContact CD1-CG1 4.06Å; F65-V95 HydrophobicContact CE1-CB 3.72Å; F65-V95 HydrophobicContact CE1-CG1 3.61Å; F65-V95 HydrophobicContact CE1-CG2 4.25Å; F65-V95 HydrophobicContact CZ-CB 4.4Å; F65-V95 HydrophobicContact CZ-CG1 4.47Å; F65-V95 HydrophobicContact CZ-CG2 4.47Å; F65-V95 PolarHBondContact N-O 3.23Å; F65-V95 PolarHBondContact O-N 2.9Å; F65-F129 HydrophobicContact CD2-CE1 4.38Å; F65-F129 HydrophobicContact CE2-CE1 4.34Å
66I71.5Confident71.3Confident96 Ų9674.9 Ų74.949%0.49237%0.369SS..  trans-108.9120.4170-58.6174.8000107.7
67P63Low70.8Confident16 Ų1675.4 Ų75.410%0.10437%0.369CS..  trans-83154.1-172.733.8-33.2000112.6F65 A89 E93 V95F65-P67 HydrophobicContact CD2-CB 4.35Å; F65-P67 HydrophobicContact CE2-CB 3.74Å; F65-P67 HydrophobicContact CZ-CB 4.34Å; P67-A89 HydrophobicContact CG-CB 4.39Å; P67-E93 WeakPolarHBondContact CD-O 3.31Å; P67-V95 HydrophobicContact CG-CG2 4.05Å
68K62.6Low70.2Confident63 Ų6380.6 Ų80.627%0.27439%0.393SS..  trans-113.6167.2148.6-31.3170.7-175.81690107.5F42 E126 L128F42-K68 VanDerWaalsContact CZ-NZ 3.32Å; K68-E126 IonicContact NZ-OE2 2.72Å; K68-L128 HydrophobicContact CB-CD2 3.51Å; K68-L128 HydrophobicContact CD-CD2 4.3Å; K68-L128 HydrophobicContact CG-CD2 4.13Å; K68-L128 WeakPolarHBondContact O-CD2 3.33Å
69L48.9Very low69.2Low77 Ų7777.9 Ų77.940%0.40339%0.391SS..  trans-74.6157.8-160.4-58.3171.2000113.3K91 A121L69-K91 HydrophobicContact CD2-CB 4.32Å; L69-K91 HydrophobicContact CG-CB 4.35Å; L69-A121 WeakPolarHBondContact O-CA 3.39Å; L69-A121 WeakPolarHBondContact O-CB 3.48Å
70P54.7Low68.2Low70 Ų7084.4 Ų84.446%0.45542%0.418SS..  trans-131.9163.5-158.541.3-26.2000117
71K36.2Very low67.6Low95 Ų9585.5 Ų85.541%0.41343%0.428SS..  trans143.1126.2150.2-87.3162.4174.3178.90111.2C77 H78 G122K71-C77 WeakPolarHBondContact CE-O 2.98Å; K71-H78 WeakPolarHBondContact CE-O 3.18Å; K71-H78 PolarHBondContact NZ-O 2.85Å; K71-G122 WeakPolarHBondContact O-CA 3.35Å
72R46.1Very low67.2Low141 Ų14185.3 Ų85.353%0.53243%0.426SS..  cis-132.9-150.80-81.8169.8162.2175.4-8.3106.1V75R72-V75 HydrophobicContact CB-CG2 4.32Å; R72-V75 HydrophobicContact CG-CG1 4.37Å; R72-V75 HydrophobicContact CG-CG2 3.83Å; R72-V75 VanDerWaalsContact NE-CG1 3.33Å
73K51Low67.1Low199 Ų19990.3 Ų90.387%0.86546%0.455SS*.SBendcis-147.5132.60.8175.4-170172.2-171.20106.1
74E60.7Low66.9Low179 Ų17993.2 Ų93.284%0.83646%0.464SS*.SBendcis-54.61754.8-75.7168.812300116.9
75V65.4Low66.9Low49 Ų4993 Ų9330%0.29747%0.474SS..  trans-116.9101.2-171.5-168.70000109.6R72 C77R72-V75 HydrophobicContact CB-CG2 4.32Å; R72-V75 HydrophobicContact CG-CG1 4.37Å; R72-V75 HydrophobicContact CG-CG2 3.83Å; R72-V75 VanDerWaalsContact NE-CG1 3.33Å; V75-C77 WeakPolarHBondContact CG1-O 3.32Å
76L73.1Confident67Low102 Ų10292.9 Ų92.953%0.53447%0.473SS..SBendtrans-87.5-24.2168.4-61.2178.6000112.2Y84 F86 C87L76-Y84 HydrophobicContact CB-CD2 4.42Å; L76-Y84 HydrophobicContact CD2-CE2 4.03Å; L76-F86 HydrophobicContact CB-CE2 4.22Å; L76-F86 HydrophobicContact CB-CZ 4.24Å; L76-F86 HydrophobicContact CD1-CE2 4.44Å; L76-F86 HydrophobicContact CD1-CZ 4.13Å; L76-C87 PolarHBondContact O-SG 2.96Å
77C76.1Confident67.2Low25 Ų2589.8 Ų89.817%0.16946%0.459CS..  trans-131.8115.4-179.7-49.80000110.6K71 V75 C87K71-C77 WeakPolarHBondContact CE-O 2.98Å; V75-C77 WeakPolarHBondContact CG1-O 3.32Å; C77-C87 VanDerWaalsContact CA-SG 3.52Å; C77-C87 HydrophobicContact CB-CB 3.68Å; C77-C87 WeakPolarHBondContact CB-SG 3.48Å; C77-C87 WeakPolarHBondContact SG-CA 3.33Å; C77-C87 WeakPolarHBondContact SG-CB 3.34Å; C77-C87 CovalentContact SG-SG 2.04Å; C77-C87 PolarHBondContact SG-SG 2.82Å
78H76.4Confident68.1Low119 Ų11998.1 Ų98.155%0.55149%0.489SS*.  trans-81.6-34.3173.1-65.1-121.7000110.4K71 D82K71-H78 WeakPolarHBondContact CE-O 3.18Å; K71-H78 PolarHBondContact NZ-O 2.85Å; H78-D82 WeakPolarHBondContact CA-OD1 3.45Å; H78-D82 VanDerWaalsContact CB-OD1 3.3Å; H78-D82 WeakPolarHBondContact CB-OD1 2.96Å; H78-D82 IonicContact CD2-OD1 2.71Å; H78-D82 IonicContact CG-OD1 2.69Å; H78-D82 PolarHBondContact N-OD1 2.94Å
79G70.3Confident68.9Low53 Ų5396.3 Ų96.355%0.54649%0.486SS..SBendtrans103.99.7176.100000115.1D82G79-D82 WeakPolarHBondContact CA-OD2 3.5Å; G79-D82 PolarHBondContact N-OD1 3.43Å; G79-D82 PolarHBondContact N-OD2 3.24Å
80H70.3Confident70.2Confident148 Ų14897.8 Ų97.869%0.68549%0.493SS*.SBendtrans-155.2129.2168.4179.716.1000106.6D82H80-D82 VanDerWaalsContact C-N 3.29Å; H80-D82 PolarHBondContact O-N 3.29Å
81D73.9Confident70.9Confident128 Ų128101.8 Ų101.868%0.68450%0.504SS*.SBendtrans5145.7178-62.54.5000113.8
82D81Confident72.7Confident28 Ų2899.7 Ų99.715%0.1551%0.509CS..  trans-71.7137.9176-66.9-45.1000112.5H78 G79 H80 Y84 C87H78-D82 WeakPolarHBondContact CA-OD1 3.45Å; H78-D82 VanDerWaalsContact CB-OD1 3.3Å; H78-D82 WeakPolarHBondContact CB-OD1 2.96Å; H78-D82 IonicContact CD2-OD1 2.71Å; H78-D82 IonicContact CG-OD1 2.69Å; H78-D82 PolarHBondContact N-OD1 2.94Å; G79-D82 WeakPolarHBondContact CA-OD2 3.5Å; G79-D82 PolarHBondContact N-OD1 3.43Å; G79-D82 PolarHBondContact N-OD2 3.24Å; H80-D82 VanDerWaalsContact C-N 3.29Å; H80-D82 PolarHBondContact O-N 3.29Å; D82-Y84 PolarHBondContact O-N 2.93Å; D82-C87 HydrophobicContact CB-CB 3.7Å
83D82.7Confident74.2Confident159 Ų15997.4 Ų97.485%0.8551%0.505SS*.SBendtrans-61-25.8-179.9-65.3-54.8000113.9
84Y80.6Confident75.6Confident78 Ų7892.7 Ų92.731%0.30649%0.493SS..  trans-105.9127.3-173.3-60.8-64.8000113.1L76 D82 F86 C87 I99L76-Y84 HydrophobicContact CB-CD2 4.42Å; L76-Y84 HydrophobicContact CD2-CE2 4.03Å; D82-Y84 PolarHBondContact O-N 2.93Å; Y84-F86 AromaticContact CD1-CE1 3.86Å; Y84-F86 HydrophobicContact CD1-CE1 3.86Å; Y84-F86 HydrophobicContact CD1-CZ 4.31Å; Y84-F86 HydrophobicContact CD2-CE1 4.17Å; Y84-F86 AromaticContact CD2-CZ 3.78Å; Y84-F86 HydrophobicContact CD2-CZ 3.78Å; Y84-F86 HydrophobicContact CG-CD1 4.36Å; Y84-F86 AromaticContact CG-CE1 3.54Å; Y84-F86 HydrophobicContact CG-CE1 3.54Å; Y84-F86 AromaticContact CG-CZ 3.62Å; Y84-F86 HydrophobicContact CG-CZ 3.62Å; Y84-F86 PolarHBondContact O-N 2.85Å; Y84-C87 VanDerWaalsContact O-CB 3.3Å; Y84-C87 WeakPolarHBondContact O-CB 3.26Å; Y84-C87 PolarHBondContact O-N 3.04Å; Y84-I99 HydrophobicContact CE1-CG2 3.81Å
85S81.6Confident76.7Confident89 Ų8984.6 Ų84.662%0.62246%0.456SS*.G310 helixtrans-56.1-34.5178.6550000113.9C87 R88S85-C87 PolarHBondContact O-N 2.98Å; S85-R88 PolarHBondContact O-N 2.92Å
86F80.1Confident77.7Confident37 Ų3787.4 Ų87.416%0.16247%0.469CS..G310 helixtrans-65.1-17.7179.264.3-107.4000113.8L76 Y84 R88 A89 V95 T97 I99L76-F86 HydrophobicContact CB-CE2 4.22Å; L76-F86 HydrophobicContact CB-CZ 4.24Å; L76-F86 HydrophobicContact CD1-CE2 4.44Å; L76-F86 HydrophobicContact CD1-CZ 4.13Å; Y84-F86 AromaticContact CD1-CE1 3.86Å; Y84-F86 HydrophobicContact CD1-CE1 3.86Å; Y84-F86 HydrophobicContact CD1-CZ 4.31Å; Y84-F86 HydrophobicContact CD2-CE1 4.17Å; Y84-F86 AromaticContact CD2-CZ 3.78Å; Y84-F86 HydrophobicContact CD2-CZ 3.78Å; Y84-F86 HydrophobicContact CG-CD1 4.36Å; Y84-F86 AromaticContact CG-CE1 3.54Å; Y84-F86 HydrophobicContact CG-CE1 3.54Å; Y84-F86 AromaticContact CG-CZ 3.62Å; Y84-F86 HydrophobicContact CG-CZ 3.62Å; Y84-F86 PolarHBondContact O-N 2.85Å; F86-R88 PolarHBondContact O-N 3.12Å; F86-R88 VanDerWaalsContact O-N 3.1Å; F86-A89 WeakPolarHBondContact O-CB 3.38Å; F86-A89 PolarHBondContact O-N 3.09Å; F86-A89 VanDerWaalsContact O-N 3.11Å; F86-V95 HydrophobicContact CB-CG1 3.72Å; F86-T97 HydrophobicContact CD1-CG2 3.98Å; F86-I99 HydrophobicContact CD1-CD1 4.38Å; F86-I99 HydrophobicContact CE1-CD1 3.63Å; F86-I99 HydrophobicContact CE1-CG1 4.08Å; F86-I99 HydrophobicContact CZ-CD1 4.33Å
87C77.6Confident78.2Confident31 Ų3183.9 Ų83.921%0.20945%0.451CS..G310 helixtrans-65.3-10.3175-65.40000113.8L76 C77 D82 Y84 S85L76-C87 PolarHBondContact O-SG 2.96Å; C77-C87 VanDerWaalsContact CA-SG 3.52Å; C77-C87 HydrophobicContact CB-CB 3.68Å; C77-C87 WeakPolarHBondContact CB-SG 3.48Å; C77-C87 WeakPolarHBondContact SG-CA 3.33Å; C77-C87 WeakPolarHBondContact SG-CB 3.34Å; C77-C87 CovalentContact SG-SG 2.04Å; C77-C87 PolarHBondContact SG-SG 2.82Å; D82-C87 HydrophobicContact CB-CB 3.7Å; Y84-C87 VanDerWaalsContact O-CB 3.3Å; Y84-C87 WeakPolarHBondContact O-CB 3.26Å; Y84-C87 PolarHBondContact O-N 3.04Å; S85-C87 PolarHBondContact O-N 2.98Å
88R80.1Confident78.7Confident190 Ų19085.4 Ų85.472%0.71746%0.462SS*.G310 helixtrans-100.4-4.8176.3-55.3-176.7-172.6-173.30.4113.7S85 F86S85-R88 PolarHBondContact O-N 2.92Å; F86-R88 PolarHBondContact O-N 3.12Å; F86-R88 VanDerWaalsContact O-N 3.1Å
89A80.4Confident79.1Confident26 Ų2681.3 Ų81.322%0.21544%0.444CS..  trans-71.5137.3-175.200000112.2P67 F86 E93 V95P67-A89 HydrophobicContact CG-CB 4.39Å; F86-A89 WeakPolarHBondContact O-CB 3.38Å; F86-A89 PolarHBondContact O-N 3.09Å; F86-A89 VanDerWaalsContact O-N 3.11Å; A89-E93 WeakPolarHBondContact CA-OE2 3.5Å; A89-V95 HydrophobicContact CB-CG2 3.49Å; A89-V95 VanDerWaalsContact CB-CG2 3.49Å
90L76Confident79.8Confident107 Ų10782.8 Ų82.856%0.5644%0.444SS*.  trans-91.9159.6-179.1-55.6179.4000112G92 E93L90-G92 PolarHBondContact O-N 2.85Å; L90-G92 VanDerWaalsContact O-N 3.1Å; L90-E93 HydrophobicContact CB-CG 4.06Å; L90-E93 PolarHBondContact N-OE2 2.93Å; L90-E93 WeakPolarHBondContact O-CB 3.35Å; L90-E93 PolarHBondContact O-N 3.19Å
91K70.1Confident80.7Confident154 Ų15477.8 Ų77.867%0.6742%0.421SS*.THydrogen-bonded Turntrans-58.1114.9178.1179.5179.5178.1174.30110.6L69L69-K91 HydrophobicContact CD2-CB 4.32Å; L69-K91 HydrophobicContact CG-CB 4.35Å
92G72.4Confident81.2Confident52 Ų5275.9 Ų75.954%0.53642%0.417SS..THydrogen-bonded Turntrans98.7-5.2-179.400000115.4L90L90-G92 PolarHBondContact O-N 2.85Å; L90-G92 VanDerWaalsContact O-N 3.1Å
93E79.1Confident81.4Confident93 Ų9376.9 Ų76.944%0.43542%0.421SS..  trans-77.7145.5170.8-64.5-178.9159.900110.9P67 A89 L90 V95P67-E93 WeakPolarHBondContact CD-O 3.31Å; A89-E93 WeakPolarHBondContact CA-OE2 3.5Å; L90-E93 HydrophobicContact CB-CG 4.06Å; L90-E93 PolarHBondContact N-OE2 2.93Å; L90-E93 WeakPolarHBondContact O-CB 3.35Å; L90-E93 PolarHBondContact O-N 3.19Å; E93-V95 PolarHBondContact O-N 3.5Å
94T80.4Confident81.5Confident99 Ų9977.1 Ų77.161%0.60742%0.416SS*.  trans-77.4114.1173.7-54.30000109.7
95V83Confident80.9Confident10 Ų1076.8 Ų76.86%0.06144%0.437CS..EExtended strand (participates in β ladder)trans-85.8113.8166.3177.90000107.7E64 F65 P67 F86 A89 E93 T97E64-V95 CarbonylContact C-O 3.59Å; E64-V95 VanDerWaalsContact CA-O 3.26Å; E64-V95 WeakPolarHBondContact CA-O 3.37Å; F65-V95 HydrophobicContact CD1-CB 3.88Å; F65-V95 HydrophobicContact CD1-CG1 4.06Å; F65-V95 HydrophobicContact CE1-CB 3.72Å; F65-V95 HydrophobicContact CE1-CG1 3.61Å; F65-V95 HydrophobicContact CE1-CG2 4.25Å; F65-V95 HydrophobicContact CZ-CB 4.4Å; F65-V95 HydrophobicContact CZ-CG1 4.47Å; F65-V95 HydrophobicContact CZ-CG2 4.47Å; F65-V95 PolarHBondContact N-O 3.23Å; F65-V95 PolarHBondContact O-N 2.9Å; P67-V95 HydrophobicContact CG-CG2 4.05Å; F86-V95 HydrophobicContact CB-CG1 3.72Å; A89-V95 HydrophobicContact CB-CG2 3.49Å; A89-V95 VanDerWaalsContact CB-CG2 3.49Å; E93-V95 PolarHBondContact O-N 3.5Å; V95-T97 HydrophobicContact CG1-CG2 3.99Å
96N86.3Confident80.6Confident107 Ų10777.1 Ų77.157%0.57243%0.431SS*.EExtended strand (participates in β ladder)trans-126.8114.6167.2-178.7-38.1000107V63 E64V63-N96 WeakPolarHBondContact O-CA 3.43Å; E64-N96 HydrophobicContact CG-CB 4.38Å; E64-N96 PolarHBondContact OE1-ND2 3.05Å
97T84.3Confident80.3Confident28 Ų2881.9 Ų81.917%0.17246%0.457CS..EExtended strand (participates in β ladder)trans-153.6159.7-172.6-169.10000112.3H62 V63 F86 V95 I99H62-T97 WeakPolarHBondContact CA-O 3.43Å; V63-T97 PolarHBondContact N-O 2.82Å; V63-T97 PolarHBondContact O-N 2.88Å; V63-T97 VanDerWaalsContact O-N 3.1Å; F86-T97 HydrophobicContact CD1-CG2 3.98Å; V95-T97 HydrophobicContact CG1-CG2 3.99Å; T97-I99 HydrophobicContact CG2-CG1 4.29Å
98S85.5Confident80.3Confident57 Ų5783.1 Ų83.140%0.39946%0.459SS..EExtended strand (participates in β ladder)trans-120107.5-179.9-56.80000109.3H62H62-S98 PolarHBondContact CE1-OG 2.66Å; H62-S98 PolarHBondContact ND1-OG 2.81Å
99I85.9Confident80.3Confident33 Ų3378.1 Ų78.117%0.16945%0.451CS..EExtended strand (participates in β ladder)trans-90.4115.1-175.7-55.5176.4000108.4F60 V61 V63 Y84 F86 T97F60-I99 CarbonylContact C-O 3.59Å; F60-I99 WeakPolarHBondContact CA-O 3.22Å; V61-I99 PolarHBondContact N-O 3.11Å; V61-I99 PolarHBondContact O-N 2.8Å; V63-I99 HydrophobicContact CG2-CD1 3.9Å; Y84-I99 HydrophobicContact CE1-CG2 3.81Å; F86-I99 HydrophobicContact CD1-CD1 4.38Å; F86-I99 HydrophobicContact CE1-CD1 3.63Å; F86-I99 HydrophobicContact CE1-CG1 4.08Å; F86-I99 HydrophobicContact CZ-CD1 4.33Å; T97-I99 HydrophobicContact CG2-CG1 4.29Å
100P85.1Confident80.5Confident85 Ų8582.3 Ų82.355%0.55247%0.465SS*.EExtended strand (participates in β ladder)trans-66.9138.4174.928.3-33.7000110.3G59 F60G59-P100 WeakPolarHBondContact O-CA 3.35Å; F60-P100 HydrophobicContact CD1-CB 4.04Å; F60-P100 HydrophobicContact CE1-CB 3.92Å
101F87.6Confident81Confident42 Ų4278.7 Ų78.718%0.18445%0.454CS..EExtended strand (participates in β ladder)trans-137.5150.8175.878.9-80.7000111.9I52 T57 N58 G59 V61 F103I52-F101 HydrophobicContact CD1-CE2 4.28Å; I52-F101 HydrophobicContact CD1-CZ 4.27Å; I52-F101 HydrophobicContact CG1-CE2 3.8Å; I52-F101 HydrophobicContact CG1-CZ 3.64Å; T57-F101 HydrophobicContact CG2-CE2 3.73Å; T57-F101 HydrophobicContact CG2-CZ 3.62Å; N58-F101 WeakPolarHBondContact CA-O 3.28Å; G59-F101 VanDerWaalsContact C-CD1 3.41Å; G59-F101 VanDerWaalsContact C-CE1 3.43Å; G59-F101 PolarHBondContact N-O 2.81Å; G59-F101 VanDerWaalsContact O-CD1 3.31Å; G59-F101 WeakPolarHBondContact O-CD1 3Å; G59-F101 PolarHBondContact O-N 3.24Å; V61-F101 HydrophobicContact CG2-CD1 3.59Å; V61-F101 HydrophobicContact CG2-CE1 3.91Å; V61-F101 HydrophobicContact CG2-CG 4.21Å; F101-F103 HydrophobicContact CD2-CD1 4.31Å; F101-F103 HydrophobicContact CE2-CD1 4.36Å; F101-F103 HydrophobicContact CE2-CE1 4.22Å
102S85.1Confident81.9Confident88 Ų8877.2 Ų77.262%0.61545%0.449SS*.EExtended strand (participates in β ladder)trans-147.1134.2176.1178.50000109.3T57 N58T57-S102 WeakPolarHBondContact O-CA 3.44Å; N58-S102 VanDerWaalsContact OD1-CB 3.28Å; N58-S102 WeakPolarHBondContact OD1-CB 3.41Å; N58-S102 PolarHBondContact OD1-OG 2.83Å
103F86.1Confident82.4Confident50 Ų5078.1 Ų78.122%0.21944%0.437CS..EExtended strand (participates in β ladder)trans-150.3148.1163.274.4-86.3000111.2I52 R53 G56 T57 F101 F108I52-F103 HydrophobicContact CG2-CE1 3.66Å; I52-F103 HydrophobicContact CG2-CZ 3.63Å; R53-F103 VanDerWaalsContact O-CZ 3.23Å; R53-F103 WeakPolarHBondContact O-CZ 3.23Å; G56-F103 CarbonylContact C-O 3.43Å; G56-F103 WeakPolarHBondContact CA-O 3.48Å; T57-F103 PolarHBondContact N-O 2.88Å; T57-F103 PolarHBondContact O-N 3.46Å; F101-F103 HydrophobicContact CD2-CD1 4.31Å; F101-F103 HydrophobicContact CE2-CD1 4.36Å; F101-F103 HydrophobicContact CE2-CE1 4.22Å; F103-F108 HydrophobicContact CE2-CE2 4.07Å
104E85.1Confident82.8Confident163 Ų16381.8 Ų81.876%0.76245%0.446SS*.EExtended strand (participates in β ladder)trans-150.4164.9176-173.4163.8-159.900109.5I106E104-I106 VanDerWaalsContact C-N 3.3Å; E104-I106 PolarHBondContact O-N 3.24Å
105G67.4Low82.9Confident72 Ų7280.3 Ų80.374%0.74244%0.439SS*.  trans80.8-9.8169.200000116.9L107G105-L107 PolarHBondContact O-N 2.94Å
106I74.1Confident82.9Confident96 Ų9682.8 Ų82.849%0.49246%0.455SS..  trans-80.6119.2177.9-59.3169000110.5E104 F108E104-I106 VanDerWaalsContact C-N 3.3Å; E104-I106 PolarHBondContact O-N 3.24Å; I106-F108 HydrophobicContact CB-CD2 4.36Å; I106-F108 HydrophobicContact CB-CE2 3.75Å; I106-F108 HydrophobicContact CB-CZ 4.16Å; I106-F108 HydrophobicContact CG2-CD1 4.47Å; I106-F108 HydrophobicContact CG2-CD2 3.95Å; I106-F108 HydrophobicContact CG2-CE1 4.04Å; I106-F108 HydrophobicContact CG2-CE2 3.47Å; I106-F108 VanDerWaalsContact CG2-CE2 3.47Å; I106-F108 HydrophobicContact CG2-CG 4.43Å; I106-F108 HydrophobicContact CG2-CZ 3.53Å; I106-F108 WeakPolarHBondContact O-CD2 3.47Å; I106-F108 PolarHBondContact O-N 2.86Å
107L74.9Confident82.7Confident137 Ų13779.4 Ų79.472%0.71744%0.442SS*.  trans-88.285.2-177.9-17077.6000112.3G105 P109G105-L107 PolarHBondContact O-N 2.94Å; L107-P109 WeakPolarHBondContact O-CD 3.35Å
108F78.2Confident82.4Confident57 Ų5782.2 Ų82.225%0.2545%0.453CS..PPolyproline II helixtrans-69.8127.5173.7-61.7-86.6000112L54 F103 I106 H137 R139L54-F108 HydrophobicContact CB-CD2 3.94Å; L54-F108 HydrophobicContact CB-CG 4.42Å; L54-F108 HydrophobicContact CD2-CD1 4.31Å; L54-F108 HydrophobicContact CD2-CD2 3.8Å; L54-F108 HydrophobicContact CD2-CE1 4.34Å; L54-F108 HydrophobicContact CD2-CE2 3.83Å; L54-F108 HydrophobicContact CD2-CG 4.05Å; L54-F108 HydrophobicContact CD2-CZ 4.11Å; L54-F108 HydrophobicContact CG-CD2 4.41Å; L54-F108 WeakPolarHBondContact O-CD2 3.04Å; F103-F108 HydrophobicContact CE2-CE2 4.07Å; I106-F108 HydrophobicContact CB-CD2 4.36Å; I106-F108 HydrophobicContact CB-CE2 3.75Å; I106-F108 HydrophobicContact CB-CZ 4.16Å; I106-F108 HydrophobicContact CG2-CD1 4.47Å; I106-F108 HydrophobicContact CG2-CD2 3.95Å; I106-F108 HydrophobicContact CG2-CE1 4.04Å; I106-F108 HydrophobicContact CG2-CE2 3.47Å; I106-F108 VanDerWaalsContact CG2-CE2 3.47Å; I106-F108 HydrophobicContact CG2-CG 4.43Å; I106-F108 HydrophobicContact CG2-CZ 3.53Å; I106-F108 WeakPolarHBondContact O-CD2 3.47Å; I106-F108 PolarHBondContact O-N 2.86Å; F108-H137 PolarHBondContact O-CE1 2.83Å; F108-H137 PolarHBondContact O-ND1 3.02Å; F108-R139 PolarHBondContact O-NH1 2.84Å
109P79.8Confident81.9Confident85 Ų8580.5 Ų80.555%0.55244%0.442SS*.PPolyproline II helixtrans-61.7164.7169.89.5-13.6000112.8L107 Y113 H137L107-P109 WeakPolarHBondContact O-CD 3.35Å; P109-Y113 VanDerWaalsContact C-OH 3.29Å; P109-Y113 WeakPolarHBondContact CD-OH 3.47Å; P109-Y113 WeakPolarHBondContact CG-OH 3.12Å; P109-Y113 PolarHBondContact O-OH 2.97Å; P109-H137 PolarHBondContact O-ND1 2.82Å
110K85Confident81.1Confident113 Ų11381.4 Ų81.449%0.49145%0.447SS..SBendtrans-65.8147.5169.9-53.9-151.4-172.7-168.50109.8R139 D140K110-R139 HydrophobicContact CD-CB 4.43Å; K110-R139 WeakPolarHBondContact CD-O 3.01Å; K110-R139 WeakPolarHBondContact CE-O 3.06Å; K110-R139 HydrophobicContact CG-CB 4.14Å; K110-R139 PolarHBondContact NZ-O 2.74Å; K110-D140 IonicContact NZ-OD1 2.69Å; K110-D140 PolarHBondContact NZ-OD1 2.94Å; K110-D140 IonicContact NZ-OD2 3.98Å; K110-D140 PolarHBondContact NZ-OD2 2.63Å
111G84.8Confident80.2Confident32 Ų3277.5 Ų77.533%0.3342%0.422SS..EExtended strand (participates in β ladder)trans141.2-166.9169.300000115.5H137G111-H137 PolarHBondContact N-O 3.41Å; G111-H137 PolarHBondContact O-N 2.03Å
112H89.1Confident78.8Confident123 Ų12377.3 Ų77.357%0.56943%0.431SS*.EExtended strand (participates in β ladder)trans-109.3112.9-177.6177.7-65.2000110T134H112-T134 WeakPolarHBondContact NE2-CG2 3.37Å
113Y84.4Confident77.6Confident71 Ų7178.4 Ų78.428%0.27843%0.43SS..EExtended strand (participates in β ladder)trans-101147176.5-55.3-92.9000110.5P109 I135 H137P109-Y113 VanDerWaalsContact C-OH 3.29Å; P109-Y113 WeakPolarHBondContact CD-OH 3.47Å; P109-Y113 WeakPolarHBondContact CG-OH 3.12Å; P109-Y113 PolarHBondContact O-OH 2.97Å; Y113-I135 PolarHBondContact N-O 3.06Å; Y113-I135 PolarHBondContact O-N 3Å; Y113-H137 HydrophobicContact CE2-CB 3.91Å
114R86Confident76.4Confident169 Ų16979.6 Ų79.664%0.63844%0.442SS*.EExtended strand (participates in β ladder)trans-125.4127.3170.1-167.4175.275.4105.1-6.4108.7N132 F133R114-N132 VanDerWaalsContact CD-OD1 3.32Å; R114-N132 WeakPolarHBondContact CD-OD1 3.34Å; R114-N132 WeakPolarHBondContact CG-OD1 3.5Å; R114-N132 PolarHBondContact NH1-OD1 3.47Å; R114-N132 VanDerWaalsContact NH1-OD1 3.08Å; R114-F133 CarbonylContact C-O 3.57Å; R114-F133 WeakPolarHBondContact CA-O 3.32Å
115C82.7Confident75.6Confident68 Ų6878.8 Ų78.846%0.45944%0.438SS..EExtended strand (participates in β ladder)trans-125.5119177.4-175.20000108.4F133C115-F133 HydrophobicContact CB-CB 4.28Å; C115-F133 PolarHBondContact N-O 2.94Å; C115-F133 WeakPolarHBondContact O-CA 3.44Å; C115-F133 WeakPolarHBondContact O-CB 3.48Å; C115-F133 PolarHBondContact O-N 3.02Å
116V83.2Confident75.6Confident63 Ų6380 Ų8038%0.38242%0.424SS..EExtended strand (participates in β ladder)trans-97.5110.2175.3-176.60000107.7E118 L131V116-E118 HydrophobicContact CG1-CG 3.96Å; V116-L131 WeakPolarHBondContact CA-O 3.45Å
117A82.7Confident75.5Confident36 Ų3679.2 Ų79.230%0.29842%0.417SS..EExtended strand (participates in β ladder)trans-94103.4175.400000108.9C130 L131 F133A117-C130 WeakPolarHBondContact O-CA 3.45Å; A117-L131 PolarHBondContact N-O 3.47Å; A117-L131 PolarHBondContact O-N 2.97Å; A117-F133 HydrophobicContact CB-CD2 4.19Å; A117-F133 HydrophobicContact CB-CE2 3.98Å
118E77.9Confident75.4Confident87 Ų8773.9 Ų73.941%0.40739%0.389SS..EExtended strand (participates in β ladder)trans-98.3128.9170.7-54.4-156132.600109.7V116 K127 C130V116-E118 HydrophobicContact CG1-CG 3.96Å; E118-K127 IonicContact OE1-NZ 3.62Å; E118-K127 PolarHBondContact OE1-NZ 2.89Å; E118-K127 WeakPolarHBondContact OE2-CE 3.39Å; E118-K127 IonicContact OE2-NZ 2.68Å; E118-K127 PolarHBondContact OE2-NZ 2.78Å; E118-C130 HydrophobicContact CG-CB 4.39Å; E118-C130 PolarHBondContact OE1-SG 3.32Å; E118-C130 VanDerWaalsContact OE1-SG 3.36Å
119A75.2Confident75.4Confident21 Ų2172.9 Ų72.917%0.17439%0.385CS..EExtended strand (participates in β ladder)trans-103.6136.1168.100000109K127 L128 F129A119-K127 CarbonylContact O-C 3.57Å; A119-L128 HydrophobicContact CB-CB 3.91Å; A119-L128 HydrophobicContact CB-CD1 4.2Å; A119-L128 HydrophobicContact CB-CG 4.5Å; A119-L128 WeakPolarHBondContact O-CB 3.42Å; A119-L128 PolarHBondContact O-N 2.9Å; A119-F129 HydrophobicContact CB-CD1 3.92Å; A119-F129 HydrophobicContact CB-CD2 3.91Å; A119-F129 HydrophobicContact CB-CE1 3.62Å; A119-F129 HydrophobicContact CB-CE2 3.61Å; A119-F129 HydrophobicContact CB-CG 4.07Å; A119-F129 HydrophobicContact CB-CZ 3.46Å; A119-F129 VanDerWaalsContact CB-CZ 3.46Å; A119-F129 PolarHBondContact N-O 2.95Å
120I68.1Low75.5Confident52 Ų5269 Ų6927%0.26736%0.359SS..EExtended strand (participates in β ladder)trans-132141.3-170.3-54.4-178000110.7K127I120-K127 HydrophobicContact CG1-CG 4.41Å
121A67.7Low75.5Confident3 Ų363.6 Ų63.63%0.02534%0.336CS..  trans-78.5127176.400000111.3L69 D123 T124 E125 E126 L128L69-A121 WeakPolarHBondContact O-CA 3.39Å; L69-A121 WeakPolarHBondContact O-CB 3.48Å; A121-D123 VanDerWaalsContact C-N 3.35Å; A121-D123 PolarHBondContact O-N 3.37Å; A121-T124 WeakPolarHBondContact CB-OG1 3.25Å; A121-E125 WeakPolarHBondContact O-CA 3.33Å; A121-E125 PolarHBondContact O-N 2.79Å; A121-E126 HydrophobicContact CB-CB 4.13Å; A121-E126 WeakPolarHBondContact CB-O 3.45Å; A121-E126 PolarHBondContact N-O 2.86Å; A121-L128 HydrophobicContact CB-CD2 3.89Å; A121-L128 HydrophobicContact CB-CG 4.41Å
122G57.1Low75.7Confident37 Ų3763.4 Ų63.438%0.38133%0.327SS..THydrogen-bonded Turntrans-80.7-12.6-169.600000115.8K71K71-G122 WeakPolarHBondContact O-CA 3.35Å
123D59.1Low75.6Confident112 Ų11259.2 Ų59.260%0.59931%0.308SS*.THydrogen-bonded Turntrans-100.1-21.918057.1-36000112.9A121A121-D123 VanDerWaalsContact C-N 3.35Å; A121-D123 PolarHBondContact O-N 3.37Å
124T62.4Low75.9Confident75 Ų7557.4 Ų57.446%0.4630%0.304SS..THydrogen-bonded Turntrans-128.9-7-175.960.90000115.2A121 E126A121-T124 WeakPolarHBondContact CB-OG1 3.25Å; T124-E126 PolarHBondContact O-N 3.44Å; T124-E126 VanDerWaalsContact O-N 3.14Å; T124-E126 WeakPolarHBondContact OG1-CB 3.1Å; T124-E126 WeakPolarHBondContact OG1-CG 3.37Å; T124-E126 PolarHBondContact OG1-N 3.41Å
125E67.1Low76.1Confident145 Ų14551 Ų5168%0.67828%0.282SS*.  trans55.717.6-167.7-63.4-73.416800113.5A121A121-E125 WeakPolarHBondContact O-CA 3.33Å; A121-E125 PolarHBondContact O-N 2.79Å
126E67.9Low76.4Confident99 Ų9950.8 Ų50.846%0.46328%0.276SS..  trans-70.7132.7175.2-79.4-177.7-145.600111.7K68 A121 T124 L128K68-E126 IonicContact NZ-OE2 2.72Å; A121-E126 HydrophobicContact CB-CB 4.13Å; A121-E126 WeakPolarHBondContact CB-O 3.45Å; A121-E126 PolarHBondContact N-O 2.86Å; T124-E126 PolarHBondContact O-N 3.44Å; T124-E126 VanDerWaalsContact O-N 3.14Å; T124-E126 WeakPolarHBondContact OG1-CB 3.1Å; T124-E126 WeakPolarHBondContact OG1-CG 3.37Å; T124-E126 PolarHBondContact OG1-N 3.41Å; E126-L128 PolarHBondContact O-N 3.34Å
127K72.8Confident76.7Confident78 Ų7848 Ų4834%0.33926%0.259SS..EExtended strand (participates in β ladder)trans-68.7120.1172.8-64.2-172.2172.6-171.80110.9L40 E118 A119 I120L40-K127 HydrophobicContact CD1-CB 3.57Å; L40-K127 HydrophobicContact CD1-CD 3.54Å; L40-K127 HydrophobicContact CD1-CG 4.13Å; L40-K127 HydrophobicContact CD2-CB 3.99Å; L40-K127 HydrophobicContact CG-CB 4.44Å; E118-K127 IonicContact OE1-NZ 3.62Å; E118-K127 PolarHBondContact OE1-NZ 2.89Å; E118-K127 WeakPolarHBondContact OE2-CE 3.39Å; E118-K127 IonicContact OE2-NZ 2.68Å; E118-K127 PolarHBondContact OE2-NZ 2.78Å; A119-K127 CarbonylContact O-C 3.57Å; I120-K127 HydrophobicContact CG1-CG 4.41Å
128L71.8Confident76.7Confident25 Ų2551.3 Ų51.313%0.13126%0.263CS..EExtended strand (participates in β ladder)trans-74.6-44.3178.1-59.8179.4000111.6F42 K68 A119 A121 E126F42-L128 WeakPolarHBondContact CD2-O 3.31Å; K68-L128 HydrophobicContact CB-CD2 3.51Å; K68-L128 HydrophobicContact CD-CD2 4.3Å; K68-L128 HydrophobicContact CG-CD2 4.13Å; K68-L128 WeakPolarHBondContact O-CD2 3.33Å; A119-L128 HydrophobicContact CB-CB 3.91Å; A119-L128 HydrophobicContact CB-CD1 4.2Å; A119-L128 HydrophobicContact CB-CG 4.5Å; A119-L128 WeakPolarHBondContact O-CB 3.42Å; A119-L128 PolarHBondContact O-N 2.9Å; A121-L128 HydrophobicContact CB-CD2 3.89Å; A121-L128 HydrophobicContact CB-CG 4.41Å; E126-L128 PolarHBondContact O-N 3.34Å
129F78.1Confident76.3Confident36 Ų3650 Ų5016%0.15825%0.254CS..EExtended strand (participates in β ladder)trans-164.2162.8170.454.8-102.2000109.7I44 F65 A119 L131I44-F129 HydrophobicContact CD1-CD1 3.8Å; I44-F129 HydrophobicContact CD1-CD2 4.27Å; I44-F129 HydrophobicContact CD1-CE1 3.56Å; I44-F129 HydrophobicContact CD1-CE2 4.06Å; I44-F129 HydrophobicContact CD1-CG 4.15Å; I44-F129 HydrophobicContact CD1-CZ 3.69Å; I44-F129 HydrophobicContact CG2-CB 4.08Å; I44-F129 HydrophobicContact CG2-CG 4.24Å; F65-F129 HydrophobicContact CD2-CE1 4.38Å; F65-F129 HydrophobicContact CE2-CE1 4.34Å; A119-F129 HydrophobicContact CB-CD1 3.92Å; A119-F129 HydrophobicContact CB-CD2 3.91Å; A119-F129 HydrophobicContact CB-CE1 3.62Å; A119-F129 HydrophobicContact CB-CE2 3.61Å; A119-F129 HydrophobicContact CB-CG 4.07Å; A119-F129 HydrophobicContact CB-CZ 3.46Å; A119-F129 VanDerWaalsContact CB-CZ 3.46Å; A119-F129 PolarHBondContact N-O 2.95Å; F129-L131 HydrophobicContact CD2-CD1 4.3Å; F129-L131 HydrophobicContact CD2-CG 4.1Å; F129-L131 HydrophobicContact CE2-CD1 4.37Å
130C82.3Confident75.7Confident3 Ų355.4 Ų55.42%0.0228%0.281CS..EExtended strand (participates in β ladder)trans-137.8120.6173.5-178.70000108.8C37 L40 A117 E118C37-C130 HydrophobicContact CB-CB 3.6Å; C37-C130 WeakPolarHBondContact CB-SG 3.47Å; C37-C130 PolarHBondContact N-O 2.72Å; C37-C130 WeakPolarHBondContact SG-CB 3.5Å; C37-C130 PolarHBondContact SG-O 2.76Å; C37-C130 VanDerWaalsContact SG-O 3.35Å; C37-C130 CovalentContact SG-SG 2.03Å; C37-C130 PolarHBondContact SG-SG 2.68Å; L40-C130 HydrophobicContact CB-CB 4.46Å; L40-C130 HydrophobicContact CD1-CB 4.32Å; A117-C130 WeakPolarHBondContact O-CA 3.45Å; E118-C130 HydrophobicContact CG-CB 4.39Å; E118-C130 PolarHBondContact OE1-SG 3.32Å; E118-C130 VanDerWaalsContact OE1-SG 3.36Å
131L85.9Confident75.2Confident0 Ų056 Ų560%029%0.286CS..EExtended strand (participates in β ladder)trans-119.1124.8-179.5-60.5179.9000110.2Y34 Y36 I44 I46 V116 A117 F129 F133Y34-L131 HydrophobicContact CD2-CD1 4.49Å; Y34-L131 HydrophobicContact CD2-CD2 3.79Å; Y34-L131 HydrophobicContact CE2-CD1 4.47Å; Y34-L131 HydrophobicContact CE2-CD2 3.92Å; Y36-L131 HydrophobicContact CD1-CD2 3.78Å; Y36-L131 HydrophobicContact CE1-CD2 3.94Å; I44-L131 HydrophobicContact CG2-CD2 4.11Å; I46-L131 HydrophobicContact CD1-CD1 3.47Å; I46-L131 VanDerWaalsContact CD1-CD1 3.47Å; I46-L131 HydrophobicContact CG1-CD1 4.19Å; V116-L131 WeakPolarHBondContact CA-O 3.45Å; A117-L131 PolarHBondContact N-O 3.47Å; A117-L131 PolarHBondContact O-N 2.97Å; F129-L131 HydrophobicContact CD2-CD1 4.3Å; F129-L131 HydrophobicContact CD2-CG 4.1Å; F129-L131 HydrophobicContact CE2-CD1 4.37Å; L131-F133 HydrophobicContact CB-CD2 4.08Å; L131-F133 HydrophobicContact CB-CE2 3.64Å; L131-F133 HydrophobicContact CB-CZ 4.38Å; L131-F133 HydrophobicContact CD1-CE2 4.04Å; L131-F133 HydrophobicContact CD1-CZ 4.11Å; L131-F133 PolarHBondContact O-N 3.41Å
132N87.6Confident74.2Confident28 Ų2866 Ų6615%0.1534%0.339CS..EExtended strand (participates in β ladder)trans-98.386.5-179.5-178.137.2000108.9Y34 S35 R114Y34-N132 WeakPolarHBondContact CA-O 3.19Å; S35-N132 PolarHBondContact N-O 3.19Å; S35-N132 PolarHBondContact O-N 2.92Å; R114-N132 VanDerWaalsContact CD-OD1 3.32Å; R114-N132 WeakPolarHBondContact CD-OD1 3.34Å; R114-N132 WeakPolarHBondContact CG-OD1 3.5Å; R114-N132 PolarHBondContact NH1-OD1 3.47Å; R114-N132 VanDerWaalsContact NH1-OD1 3.08Å
133F88.6Confident75Confident36 Ų3667.4 Ų67.416%0.15834%0.337CS..EExtended strand (participates in β ladder)trans-73.5131.3178.9-71.7-92.9000111.4I32 S33 Y34 I46 R114 C115 A117 L131I32-F133 HydrophobicContact CG2-CD1 4.37Å; S33-F133 CarbonylContact O-C 3.53Å; S33-F133 VanDerWaalsContact O-CA 3.31Å; S33-F133 WeakPolarHBondContact O-CA 2.9Å; Y34-F133 HydrophobicContact CD1-CD1 4.06Å; Y34-F133 AromaticContact CD1-CE1 3.52Å; Y34-F133 HydrophobicContact CD1-CE1 3.52Å; Y34-F133 HydrophobicContact CD1-CZ 4Å; Y34-F133 HydrophobicContact CE1-CE1 4.33Å; Y34-F133 HydrophobicContact CG-CD1 4.36Å; Y34-F133 HydrophobicContact CG-CE1 4.09Å; Y34-F133 HydrophobicContact CG-CZ 4.37Å; I46-F133 HydrophobicContact CD1-CZ 4.42Å; R114-F133 CarbonylContact C-O 3.57Å; R114-F133 WeakPolarHBondContact CA-O 3.32Å; C115-F133 HydrophobicContact CB-CB 4.28Å; C115-F133 PolarHBondContact N-O 2.94Å; C115-F133 WeakPolarHBondContact O-CA 3.44Å; C115-F133 WeakPolarHBondContact O-CB 3.48Å; C115-F133 PolarHBondContact O-N 3.02Å; A117-F133 HydrophobicContact CB-CD2 4.19Å; A117-F133 HydrophobicContact CB-CE2 3.98Å; L131-F133 HydrophobicContact CB-CD2 4.08Å; L131-F133 HydrophobicContact CB-CE2 3.64Å; L131-F133 HydrophobicContact CB-CZ 4.38Å; L131-F133 HydrophobicContact CD1-CE2 4.04Å; L131-F133 HydrophobicContact CD1-CZ 4.11Å; L131-F133 PolarHBondContact O-N 3.41Å
134T90.3Very high75.9Confident32 Ų3265.1 Ų65.120%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-110.1126.4168.9-67.10000108.9I32 S33 H112 I136I32-T134 WeakPolarHBondContact CA-O 3.37Å; S33-T134 PolarHBondContact N-O 2.77Å; S33-T134 PolarHBondContact O-N 3.33Å; H112-T134 WeakPolarHBondContact NE2-CG2 3.37Å; T134-I136 HydrophobicContact CG2-CG1 4.21Å
135I89.3Confident76.6Confident35 Ų3564.5 Ų64.518%0.17932%0.316CS..EExtended strand (participates in β ladder)trans-127113-178.9-60.1167000108.3I31 I32 L54 Y113I31-I135 CarbonylContact O-C 3.45Å; I31-I135 WeakPolarHBondContact O-CA 3.2Å; I32-I135 HydrophobicContact CD1-CG1 4.41Å; I32-I135 HydrophobicContact CG1-CG1 4.16Å; I32-I135 HydrophobicContact CG1-CG2 4.25Å; I32-I135 HydrophobicContact CG2-CG1 4.11Å; L54-I135 HydrophobicContact CD1-CG2 3.89Å; Y113-I135 PolarHBondContact N-O 3.06Å; Y113-I135 PolarHBondContact O-N 3Å
136I90.1Very high77.2Confident64 Ų6459.8 Ų59.833%0.32830%0.295SS..EExtended strand (participates in β ladder)trans-102.5104.1177.9-51.8176.8000108.4A30 I31 T134 R138A30-I136 CarbonylContact C-O 3.55Å; A30-I136 WeakPolarHBondContact CA-O 3.39Å; I31-I136 HydrophobicContact CB-CB 4.29Å; I31-I136 PolarHBondContact N-O 2.72Å; I31-I136 PolarHBondContact O-N 3.18Å; T134-I136 HydrophobicContact CG2-CG1 4.21Å; I136-R138 HydrophobicContact CG2-CG 4.32Å; I136-R138 PolarHBondContact O-N 2.95Å
137H89Confident77.8Confident5 Ų557.3 Ų57.32%0.02328%0.284CS..EExtended strand (participates in β ladder)trans-81.894.2172.6-167-164.4000109.1D29 L54 F108 P109 G111 Y113D29-H137 PolarHBondContact O-CD2 3.25Å; L54-H137 HydrophobicContact CD1-CB 3.53Å; L54-H137 VanDerWaalsContact CD1-CD2 3.48Å; L54-H137 WeakPolarHBondContact CD1-CD2 3.44Å; L54-H137 VanDerWaalsContact CD1-CG 3.46Å; F108-H137 PolarHBondContact O-CE1 2.83Å; F108-H137 PolarHBondContact O-ND1 3.02Å; P109-H137 PolarHBondContact O-ND1 2.82Å; G111-H137 PolarHBondContact N-O 3.41Å; G111-H137 PolarHBondContact O-N 2.03Å; Y113-H137 HydrophobicContact CE2-CB 3.91Å
138R83.1Confident78.1Confident104 Ų10455.9 Ų55.939%0.39228%0.28SS..  trans-66.2-40-178.8-73.5176.5-73.8177.3-9.6111.9N26 S27 D29 A30 I136 D140N26-R138 PolarHBondContact OD1-NH1 2.75Å; N26-R138 PolarHBondContact OD1-NH2 3.05Å; S27-R138 PolarHBondContact O-NH2 3.26Å; D29-R138 PolarHBondContact O-N 3.48Å; A30-R138 PolarHBondContact O-NH2 2.04Å; I136-R138 HydrophobicContact CG2-CG 4.32Å; I136-R138 PolarHBondContact O-N 2.95Å; R138-D140 PolarHBondContact O-N 2.86Å
139R68.5Low78.5Confident59 Ų5958.1 Ų58.122%0.22329%0.291CS..  trans27.176.7176.4-159.6-170.8-173.6141.25.7115.1D29 F108 K110D29-R139 PolarHBondContact O-N 2.74Å; F108-R139 PolarHBondContact O-NH1 2.84Å; K110-R139 HydrophobicContact CD-CB 4.43Å; K110-R139 WeakPolarHBondContact CD-O 3.01Å; K110-R139 WeakPolarHBondContact CE-O 3.06Å; K110-R139 HydrophobicContact CG-CB 4.14Å; K110-R139 PolarHBondContact NZ-O 2.74Å
140D63.3Low78.6Confident136 Ų13659.8 Ų59.873%0.72730%0.301SS*.  trans-121.1102143-86.2-55.9000108.1K110 R138K110-D140 IonicContact NZ-OD1 2.69Å; K110-D140 PolarHBondContact NZ-OD1 2.94Å; K110-D140 IonicContact NZ-OD2 3.98Å; K110-D140 PolarHBondContact NZ-OD2 2.63Å; R138-D140 PolarHBondContact O-N 2.86Å
141V56.4Low78.3Confident63 Ų6364.6 Ų64.638%0.38233%0.325SS..  trans-145115.7177.3-170.90000104.4R55R55-V141 VanDerWaalsContact CZ-CG1 3.49Å; R55-V141 VanDerWaalsContact NH2-CG1 3.35Å; R55-V141 PolarHBondContact NH2-O 3.44Å
142N47.1Very low77.6Confident213 Ų21370.5 Ų70.5100%1.13935%0.354SS*.  trans-60.70174.1-66-9.7000112.4R55R55-N142 PolarHBondContact NH2-O 3.3Å

Retrieved 142 of 142 residues in 228 ms (Link to these results)