A0A096NDV6_PAPAN Loading...

Y-box binding protein 1

AlphaFold DB (P67808), UniProt , Accession A0A096NDV6, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 324 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
1M55.7Low69.6Low247 Ų247151.9 Ų151.9100%1.21786%0.855SS**  0117.60-73.6179.1164.900107.9
2S61.5Low69.8Low123 Ų123147.6 Ų147.686%0.8685%0.853SS**  trans-132110.6178.6-560000108.5
3S72.3Confident70.3Confident119 Ų119143.2 Ų143.283%0.83285%0.845SS**  trans-113.3101.5176.753.50000108.6
4E70.4Confident70.8Confident193 Ų193141.6 Ų141.690%0.90284%0.841SS**  trans-69.1134.8174.6-70.8174.592.600110.5E6E4-E6 PolarHBondContact O-N 3.39Å
5A70.6Confident71.2Confident93 Ų93140.6 Ų140.677%0.76984%0.839SS**  trans-89.496.2-179.500000110.4T7A5-T7 PolarHBondContact O-N 3.48Å; A5-T7 VanDerWaalsContact O-N 3.16Å
6E71Confident71Confident175 Ų175137.9 Ų137.982%0.81884%0.837SS**  trans-65.3112.7176.5-168.2174.2107.100111E4 Q8E4-E6 PolarHBondContact O-N 3.39Å; E6-Q8 PolarHBondContact O-N 3.48Å
7T67.4Low70.9Confident133 Ų133135.4 Ų135.482%0.81683%0.834SS**  trans-84.5105.3-178.8-65.30000110.3A5 Q9A5-T7 PolarHBondContact O-N 3.48Å; A5-T7 VanDerWaalsContact O-N 3.16Å; T7-Q9 PolarHBondContact O-N 2.98Å
8Q69.9Low70.8Confident170 Ų170134.1 Ų134.179%0.79483%0.828SS**  trans-81.7112.4-174.4-151.7161.172.700111.9E6E6-Q8 PolarHBondContact O-N 3.48Å
9Q71.2Confident69.8Low174 Ų174132.6 Ų132.681%0.81383%0.83SS**PPolyproline II helixtrans-68.2145.1177.4-97.7178.4-12.200112.6T7T7-Q9 PolarHBondContact O-N 2.98Å
10P78.6Confident69.4Low115 Ų115134.4 Ų134.475%0.74783%0.833SS**PPolyproline II helixtrans-73.3144.2172.730.9-34.3000111.6
11P77.1Confident68.9Low129 Ų129133.3 Ų133.384%0.83883%0.831SS**PPolyproline II helixtrans-69.9140.1-177.427.7-34.7000112.9
12A72.2Confident68.6Low100 Ų100126.3 Ų126.383%0.82681%0.812SS**PPolyproline II helixtrans-67.2153.1-178.800000113.7
13A76.3Confident68.5Low91 Ų91125 Ų12575%0.75281%0.808SS**PPolyproline II helixtrans-69148.4176.500000112.2
14P77.4Confident67.7Low121 Ų121126.7 Ų126.779%0.78681%0.808SS**PPolyproline II helixtrans-69.4144.917729.4-34.9000111.7
15P75.9Confident67.1Low126 Ų126124.2 Ų124.282%0.81881%0.806SS**PPolyproline II helixtrans-69.9153.8-179.428.9-35.1000112.6
16A68.1Low66.6Low98 Ų98129 Ų12981%0.8181%0.81SS**PPolyproline II helixtrans-65.8141.9175.800000111.7
17A69.4Low65.9Low94 Ų94126.7 Ų126.778%0.77781%0.81SS**PPolyproline II helixtrans-70.9140.6177.200000111.5
18P69.6Low65Low113 Ų113124.1 Ų124.173%0.73481%0.81SS**PPolyproline II helixtrans-71.5139.5174.330.1-34000110.9L20P18-L20 PolarHBondContact O-N 3.12Å
19A52.4Low64.1Low105 Ų105122 Ų12287%0.86881%0.809SS**PPolyproline II helixtrans-74.3121.7169.200000109.5
20L60.6Low63Low169 Ų169120.2 Ų120.289%0.88581%0.81SS**PPolyproline II helixtrans-85.7127.2170-74171.6000109.7P18P18-L20 PolarHBondContact O-N 3.12Å
21S59Low61.4Low112 Ų112118.4 Ų118.478%0.78381%0.812SS**PPolyproline II helixtrans-71.6155.4-176.649.40000113
22A50.6Low59.9Low100 Ų100118.8 Ų118.883%0.82682%0.818SS**PPolyproline II helixtrans-61.6151.2174.200000112.6
23A59.3Low58.6Low94 Ų94117.6 Ų117.678%0.77782%0.815SS**  trans-133.8127.1162.100000108.5
24D55.1Low57.2Low155 Ų155118.8 Ų118.883%0.82983%0.825SS**  trans-59.3143.9-177.5-67.9-105.6000114.1
25T56.6Low55.7Low141 Ų141116.9 Ų116.987%0.86583%0.827SS**  trans-146.4119151.6-57.90000109
26K61.8Low54.3Low193 Ų193117 Ų11784%0.83983%0.831SS**  trans-68.8152.5-177.1-79.2179.1175.3175.60112.5
27P54.4Low53.2Low128 Ų128116.2 Ų116.283%0.83183%0.833SS**  trans-81.1141.6179.133-34.7000112.9
28G50.5Low52.1Low78 Ų78115.3 Ų115.380%0.80483%0.832SS**  trans-111.195.9177.500000113.8
29T49.3Very low51.3Low126 Ų126116.7 Ų116.777%0.77384%0.842SS**  trans20.6118.2139.7-80.60000121
30T48.1Very low51Low136 Ų136115.4 Ų115.483%0.83484%0.838SS**  trans54.4128.3143.167.30000122
31G45.7Very low50.2Low78 Ų78110.3 Ų110.380%0.80483%0.826SS**  trans-170.675.2163.800000112.1G33G31-G33 PolarHBondContact O-N 3.41Å
32S44.9Very low49.4Very low136 Ų136114 Ų11495%0.95184%0.836SS**  trans-71.5118.7175.8-64.40000111
33G45.5Very low49.2Very low75 Ų75115.1 Ų115.177%0.77383%0.833SS**  trans-138.4100.517500000111.2G31G31-G33 PolarHBondContact O-N 3.41Å
34A47.4Very low48.6Very low117 Ų117115.9 Ų115.997%0.96783%0.833SS**  trans-78.5125172.400000109.8
35G44.7Very low47.9Very low80 Ų80113.4 Ų113.483%0.82583%0.834SS**  trans-143.598.9-179.800000111.3
36S47.8Very low47.3Very low129 Ų129110.4 Ų110.490%0.90282%0.823SS**  trans-91.3131.9177.6530000111.9
37G45.3Very low46.7Very low81 Ų81106.9 Ų106.984%0.83582%0.82SS**  trans154.4130.415900000116.8
38G46.4Very low46.3Very low75 Ų75106.1 Ų106.177%0.77382%0.824SS**  trans102.9107.2153.500000117.6
39P51.3Low46.4Very low143 Ų143105.3 Ų105.393%0.92982%0.817SS**  trans-88.4109.1161.332.9-26.8000109.8
40G47Very low46.9Very low77 Ų77101.8 Ų101.879%0.79481%0.805SS**  trans-156.1139.1-178.100000114.6
41G43Very low47.9Very low62 Ų62103.5 Ų103.564%0.63981%0.809SS**  trans83.383.2163.200000116.5T43G41-T43 PolarHBondContact O-N 3.22Å
42L42.3Very low49.6Very low190 Ų190103.8 Ų103.8100%0.99579%0.788SS**  trans-72.971.8153-73.2173.1000109.2
43T45.9Very low51.8Low124 Ų124104.3 Ų104.376%0.76177%0.773SS**  trans-72.6143.3170500000109.8G41 A45G41-T43 PolarHBondContact O-N 3.22Å; T43-A45 PolarHBondContact O-N 2.9Å
44S47.2Very low54.1Low110 Ų110104.6 Ų104.677%0.76976%0.76SS**  trans-54.3124.6178.850.20000111.2A46S44-A46 VanDerWaalsContact C-N 3.28Å; S44-A46 PolarHBondContact O-N 2.63Å
45A41.5Very low56.2Low102 Ų102103.7 Ų103.784%0.84374%0.738SS**  trans-63.691.9167.300000109.3T43T43-A45 PolarHBondContact O-N 2.9Å
46A43.9Very low58.5Low78 Ų78101 Ų10165%0.64571%0.707SS**  trans-55.6139.3166.600000108.3S44 A48S44-A46 VanDerWaalsContact C-N 3.28Å; S44-A46 PolarHBondContact O-N 2.63Å; A46-A48 PolarHBondContact O-N 3.37Å
47P49.2Very low60.7Low120 Ų12099.4 Ų99.478%0.77969%0.693SS**  trans-61.2127.6171.927.6-32.6000107.8G49P47-G49 PolarHBondContact O-N 2.89Å
48A45.6Very low62.9Low111 Ų111102.6 Ų102.692%0.91768%0.684SS**  trans-72.550.4176.100000112.1A46 G50A46-A48 PolarHBondContact O-N 3.37Å; A48-G50 PolarHBondContact O-N 3.48Å
49G53.3Low65.3Low62 Ų6299.8 Ų99.864%0.63965%0.651SS**  trans-85.387.9152.200000106.6P47P47-G49 PolarHBondContact O-N 2.89Å
50G59.7Low67.4Low51 Ų5196.9 Ų96.953%0.52663%0.628SS.*  trans-56.8158.9158.800000109.2A48 K52A48-G50 PolarHBondContact O-N 3.48Å; G50-K52 PolarHBondContact O-N 2.67Å
51D69.3Low69.7Low173 Ų17393.2 Ų93.293%0.92559%0.59SS**  trans-68.667.8-168.2-54.5-76.2000113.3K53D51-K53 PolarHBondContact O-N 3.18Å
52K80.8Confident72.3Confident83 Ų8392.8 Ų92.836%0.36158%0.575SS.*PPolyproline II helixtrans-65.4124.1172.3-69.7-175.2177.2-177.40108.1G50 V54 V114 E121G50-K52 PolarHBondContact O-N 2.67Å; K52-V54 PolarHBondContact O-N 3.47Å; K52-V114 HydrophobicContact CB-CB 4.03Å; K52-V114 HydrophobicContact CB-CG2 4.22Å; K52-V114 HydrophobicContact CD-CG2 4.05Å; K52-E121 VanDerWaalsContact NZ-CD 3.29Å; K52-E121 IonicContact NZ-OE1 2.89Å; K52-E121 PolarHBondContact NZ-OE1 2.89Å; K52-E121 IonicContact NZ-OE2 3.55Å; K52-E121 PolarHBondContact NZ-OE2 3.03Å
53K91Very high74.9Confident147 Ų14783.9 Ų83.964%0.63953%0.528SS*.PPolyproline II helixtrans-55.2120.8-179.9-171.6-171.9-176.1-176.40110D51 I55 V114 E115D51-K53 PolarHBondContact O-N 3.18Å; K53-I55 PolarHBondContact O-N 3.38Å; K53-V114 CarbonylContact O-C 3.58Å; K53-V114 WeakPolarHBondContact O-CA 3.21Å; K53-E115 HydrophobicContact CB-CB 4.15Å; K53-E115 WeakPolarHBondContact CD-OE2 3.37Å; K53-E115 PolarHBondContact O-N 2.81Å
54V92.6Very high77.3Confident82 Ų8283.5 Ų83.550%0.49752%0.516SS..EExtended strand (participates in β ladder)trans-80.3119.3176.7-1730000108.6K52 A56 T57 V114K52-V54 PolarHBondContact O-N 3.47Å; V54-A56 WeakPolarHBondContact CG1-O 3.36Å; V54-T57 HydrophobicContact CG1-CG2 3.64Å; V54-V114 HydrophobicContact CG2-CG1 4.1Å
55I92.4Very high79.6Confident97 Ų9783 Ų8350%0.49750%0.498SS..EExtended strand (participates in β ladder)trans-86.9-41.4-179.8-58.7171.6000110K53 V113 E115K53-I55 PolarHBondContact O-N 3.38Å; I55-V113 HydrophobicContact CB-CB 4.35Å; I55-V113 HydrophobicContact CB-CG1 4.19Å; I55-V113 HydrophobicContact CD1-CG1 4.3Å; I55-V113 PolarHBondContact N-O 2.72Å; I55-E115 HydrophobicContact CD1-CB 4.21Å
56A92.9Very high82.2Confident23 Ų2378.5 Ų78.519%0.1946%0.459CS..EExtended strand (participates in β ladder)trans-150.1153.217700000110.5V54 V59 D112 V113V54-A56 WeakPolarHBondContact CG1-O 3.36Å; A56-V59 HydrophobicContact CB-CG2 3.55Å; A56-D112 CarbonylContact O-C 3.54Å; A56-D112 WeakPolarHBondContact O-CA 3.26Å; A56-V113 HydrophobicContact CB-CB 4.18Å; A56-V113 HydrophobicContact CB-CG2 4.15Å; A56-V113 PolarHBondContact N-O 2.86Å; A56-V113 PolarHBondContact O-N 2.84Å
57T93.6Very high84.7Confident97 Ų9777.6 Ų77.660%0.59544%0.443SS*.EExtended strand (participates in β ladder)trans-117.2148177.255.60000111.7V54 V59 D112V54-T57 HydrophobicContact CG1-CG2 3.64Å; T57-V59 PolarHBondContact O-N 2.6Å; T57-D112 WeakPolarHBondContact CA-OD1 3.16Å; T57-D112 WeakPolarHBondContact CB-OD1 3.25Å
58K92.9Very high86.8Confident148 Ų14873.1 Ų73.164%0.64341%0.413SS*.EExtended strand (participates in β ladder)trans49.640.3175.2-57.9-179.1-179.2175.50114.7E110 F111 D112K58-E110 HydrophobicContact CB-CG 4.2Å; K58-F111 CarbonylContact C-O 3.5Å; K58-F111 WeakPolarHBondContact CA-O 3.28Å; K58-F111 PolarHBondContact N-O 3.36Å; K58-D112 PolarHBondContact N-OD1 3.38Å
59V95.3Very high89.1Confident16 Ų1678.8 Ų78.810%0.09741%0.411CS..EExtended strand (participates in β ladder)trans-73.4138175.9-177.10000109.3A56 T57 R77 E110 F111 V113A56-V59 HydrophobicContact CB-CG2 3.55Å; T57-V59 PolarHBondContact O-N 2.6Å; V59-R77 HydrophobicContact CG1-CB 4.43Å; V59-R77 HydrophobicContact CG1-CG 4.06Å; V59-E110 WeakPolarHBondContact O-CA 3.33Å; V59-F111 HydrophobicContact CG1-CZ 4.47Å; V59-F111 PolarHBondContact N-O 3.3Å; V59-F111 VanDerWaalsContact O-CD1 3.31Å; V59-F111 WeakPolarHBondContact O-CD1 3.3Å; V59-F111 PolarHBondContact O-N 2.85Å; V59-V113 HydrophobicContact CB-CG2 4.4Å; V59-V113 HydrophobicContact CG2-CG2 4.01Å
60L95.8Very high91.1Very high82 Ų8279.4 Ų79.443%0.42940%0.4SS..EExtended strand (participates in β ladder)trans-90.3136.1170.4-64.8178.7000110.7N78 V109 E110L60-N78 PolarHBondContact O-N 2.93Å; L60-N78 VanDerWaalsContact O-N 3.12Å; L60-V109 WeakPolarHBondContact CA-O 3.38Å; L60-E110 HydrophobicContact CD2-CB 3.87Å; L60-E110 HydrophobicContact CD2-CG 4.2Å
61G96.3Very high92.7Very high0 Ų077 Ų770%038%0.375CS..EExtended strand (participates in β ladder)trans-151.3165.8175.600000112.7N76 T108 V109G61-N76 CarbonylContact C-O 3.56Å; G61-N76 WeakPolarHBondContact CA-O 3.38Å; G61-T108 WeakPolarHBondContact O-CA 3.33Å; G61-V109 PolarHBondContact N-O 3.17Å; G61-V109 PolarHBondContact O-N 2.85Å
62T96.6Very high94Very high52 Ų5272.7 Ų72.732%0.31935%0.346SS..EExtended strand (participates in β ladder)trans-107130.6178.7480000110.1K64 I75 N76 N78T62-K64 PolarHBondContact O-N 3.38Å; T62-I75 CarbonylContact O-C 3.59Å; T62-I75 WeakPolarHBondContact O-CA 3.49Å; T62-N76 PolarHBondContact N-O 3.26Å; T62-N76 PolarHBondContact O-N 3.11Å; T62-N78 PolarHBondContact N-OD1 2.87Å; T62-N78 PolarHBondContact OG1-OD1 3.09Å
63V96.7Very high94.8Very high3 Ų368.8 Ų68.82%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-72.7113.2-177.8175.60000109.5F66 I75 V103 G104 G106 E107 V109V63-F66 HydrophobicContact CG1-CB 4.34Å; V63-I75 HydrophobicContact CG2-CG1 3.97Å; V63-V103 HydrophobicContact CB-CG1 4.37Å; V63-V103 HydrophobicContact CG1-CB 4.36Å; V63-V103 HydrophobicContact CG1-CG1 4.43Å; V63-V103 HydrophobicContact CG2-CB 4.1Å; V63-V103 HydrophobicContact CG2-CG1 3.39Å; V63-G104 VanDerWaalsContact CB-O 3.26Å; V63-G104 WeakPolarHBondContact CB-O 3.41Å; V63-G104 VanDerWaalsContact CG1-O 3.3Å; V63-G104 WeakPolarHBondContact CG1-O 3.3Å; V63-G106 WeakPolarHBondContact O-CA 3.11Å; V63-G106 PolarHBondContact O-N 3.37Å; V63-E107 HydrophobicContact CG2-CB 4.44Å; V63-E107 VanDerWaalsContact CG2-O 3.25Å; V63-E107 WeakPolarHBondContact CG2-O 3.32Å; V63-E107 PolarHBondContact N-O 3.13Å; V63-V109 HydrophobicContact CG2-CG1 4.14Å; V63-V109 HydrophobicContact CG2-CG2 3.83Å
64K95.8Very high95Very high116 Ų11664.7 Ų64.750%0.50431%0.312SS..EExtended strand (participates in β ladder)trans-66.9-45.6-178.8-165.8173.5-176.1161.80110.9T62 F74 D83T62-K64 PolarHBondContact O-N 3.38Å; K64-F74 HydrophobicContact CB-CB 4.45Å; K64-F74 WeakPolarHBondContact CB-O 3.38Å; K64-F74 PolarHBondContact N-O 2.91Å; K64-D83 VanDerWaalsContact NZ-CG 3.35Å; K64-D83 IonicContact NZ-OD1 2.6Å; K64-D83 PolarHBondContact NZ-OD1 2.94Å; K64-D83 IonicContact NZ-OD2 2.63Å; K64-D83 PolarHBondContact NZ-OD2 2.81Å
65W96Very high95.2Very high101 Ų10160.8 Ų60.838%0.38329%0.288SS..EExtended strand (participates in β ladder)trans-168.2155.6170.450.3-95.5000110.7N67 Y72 G73 F74 D105W65-N67 HydrophobicContact CZ3-CB 4.39Å; W65-Y72 AromaticContact CH2-CD2 4Å; W65-Y72 HydrophobicContact CH2-CD2 4Å; W65-Y72 AromaticContact CH2-CE2 3.75Å; W65-Y72 HydrophobicContact CH2-CE2 3.75Å; W65-Y72 AromaticContact CZ3-CD2 3.86Å; W65-Y72 HydrophobicContact CZ3-CD2 3.86Å; W65-Y72 AromaticContact CZ3-CE2 3.83Å; W65-Y72 HydrophobicContact CZ3-CE2 3.83Å; W65-G73 WeakPolarHBondContact O-CA 3.44Å; W65-F74 AromaticContact CE2-CD2 3.86Å; W65-F74 AromaticContact CH2-CD2 3.58Å; W65-F74 HydrophobicContact CH2-CD2 3.58Å; W65-F74 AromaticContact CH2-CE2 3.72Å; W65-F74 HydrophobicContact CH2-CE2 3.72Å; W65-F74 AromaticContact CZ2-CD2 3.29Å; W65-F74 HydrophobicContact CZ2-CD2 3.29Å; W65-F74 AromaticContact CZ2-CE2 3.63Å; W65-F74 HydrophobicContact CZ2-CE2 3.63Å; W65-F74 HydrophobicContact CZ2-CG 4.43Å; W65-F74 HydrophobicContact CZ3-CD2 4.39Å; W65-F74 PolarHBondContact O-N 2.89Å; W65-F74 VanDerWaalsContact O-N 3.1Å; W65-D105 WeakPolarHBondContact CA-OD1 3.44Å
66F96.5Very high95.4Very high7 Ų758 Ų583%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-135.9117.1172.3-172.3-88.7000112.8V63 V68 V86 Q88 I91 S102 V103 D105V63-F66 HydrophobicContact CG1-CB 4.34Å; F66-V68 HydrophobicContact CD1-CG2 4.05Å; F66-V68 HydrophobicContact CE1-CG2 4.34Å; F66-V68 PolarHBondContact O-N 3.15Å; F66-V86 HydrophobicContact CD2-CG1 4.37Å; F66-Q88 HydrophobicContact CZ-CB 4.27Å; F66-I91 HydrophobicContact CE2-CD1 4.31Å; F66-I91 HydrophobicContact CZ-CD1 4.34Å; F66-S102 VanDerWaalsContact CE1-CA 3.47Å; F66-V103 HydrophobicContact CD2-CB 4.49Å; F66-V103 HydrophobicContact CD2-CG2 4.26Å; F66-D105 PolarHBondContact N-OD1 2.74Å
67N96Very high95.5Very high59 Ų5957.9 Ų57.932%0.31627%0.269SS..EExtended strand (participates in β ladder)trans-84.8101.6177.2-175.3-19000111.1W65 R69 N70 G71 Y72W65-N67 HydrophobicContact CZ3-CB 4.39Å; N67-R69 PolarHBondContact O-N 2.79Å; N67-R69 WeakPolarHBondContact OD1-CB 3.32Å; N67-R69 PolarHBondContact OD1-N 2.97Å; N67-N70 HydrophobicContact CB-CB 4.44Å; N67-N70 PolarHBondContact ND2-ND2 2.88Å; N67-N70 PolarHBondContact O-N 2.62Å; N67-N70 PolarHBondContact OD1-N 3.37Å; N67-G71 PolarHBondContact O-N 2.72Å; N67-Y72 PolarHBondContact N-O 2.83Å
68V94.3Very high95.4Very high25 Ų2557.2 Ų57.215%0.15226%0.261CS..THydrogen-bonded Turntrans-61.4-27.1179.6-176.20000113.7F66 L100 S136 A139F66-V68 HydrophobicContact CD1-CG2 4.05Å; F66-V68 HydrophobicContact CE1-CG2 4.34Å; F66-V68 PolarHBondContact O-N 3.15Å; V68-L100 HydrophobicContact CG1-CD1 3.64Å; V68-S136 WeakPolarHBondContact CG2-OG 3.42Å; V68-A139 HydrophobicContact CG1-CB 4.03Å; V68-A139 HydrophobicContact CG2-CB 4.46Å
69R93.3Very high95.2Very high231 Ų23155.7 Ų55.787%0.87226%0.261SS*.THydrogen-bonded Turntrans-73.9-41.9178.7-179.7-178.9175.9-177-3.1111.5N67N67-R69 PolarHBondContact O-N 2.79Å; N67-R69 WeakPolarHBondContact OD1-CB 3.32Å; N67-R69 PolarHBondContact OD1-N 2.97Å
70N94.8Very high95Very high74 Ų7457.8 Ų57.840%0.39627%0.274SS..THydrogen-bonded Turntrans-91.7-18.2-176.7-59.86.7000112.6N67 Y72N67-N70 HydrophobicContact CB-CB 4.44Å; N67-N70 PolarHBondContact ND2-ND2 2.88Å; N67-N70 PolarHBondContact O-N 2.62Å; N67-N70 PolarHBondContact OD1-N 3.37Å; N70-Y72 HydrophobicContact CB-CD1 3.57Å; N70-Y72 HydrophobicContact CB-CE1 3.27Å; N70-Y72 PolarHBondContact ND2-OH 2.78Å; N70-Y72 VanDerWaalsContact ND2-OH 3.09Å
71G94.8Very high94.8Very high1 Ų161.7 Ų61.71%0.0129%0.287CS..THydrogen-bonded Turntrans78.320.5179.100000114.6N67 H87 Q88N67-G71 PolarHBondContact O-N 2.72Å; G71-H87 CarbonylContact O-C 3.59Å; G71-H87 PolarHBondContact O-CD2 2.81Å; G71-Q88 WeakPolarHBondContact O-CB 3.39Å; G71-Q88 WeakPolarHBondContact O-CG 3.35Å; G71-Q88 PolarHBondContact O-N 3.27Å
72Y95.9Very high94.7Very high83 Ų8366.3 Ų66.333%0.32531%0.308SS..EExtended strand (participates in β ladder)trans-136.2162.7176.866.8-101.4000113.2W65 N67 N70 F85 V86W65-Y72 AromaticContact CH2-CD2 4Å; W65-Y72 HydrophobicContact CH2-CD2 4Å; W65-Y72 AromaticContact CH2-CE2 3.75Å; W65-Y72 HydrophobicContact CH2-CE2 3.75Å; W65-Y72 AromaticContact CZ3-CD2 3.86Å; W65-Y72 HydrophobicContact CZ3-CD2 3.86Å; W65-Y72 AromaticContact CZ3-CE2 3.83Å; W65-Y72 HydrophobicContact CZ3-CE2 3.83Å; N67-Y72 PolarHBondContact N-O 2.83Å; N70-Y72 HydrophobicContact CB-CD1 3.57Å; N70-Y72 HydrophobicContact CB-CE1 3.27Å; N70-Y72 PolarHBondContact ND2-OH 2.78Å; N70-Y72 VanDerWaalsContact ND2-OH 3.09Å; Y72-F85 HydrophobicContact CD2-CE2 4.21Å; Y72-F85 HydrophobicContact CG-CE2 4.11Å; Y72-V86 CarbonylContact C-O 3.44Å; Y72-V86 VanDerWaalsContact CA-O 3.22Å; Y72-V86 WeakPolarHBondContact CA-O 3.32Å; Y72-V86 WeakPolarHBondContact CB-O 3.49Å
73G96.3Very high94.7Very high0 Ų067 Ų670%031%0.31CS..EExtended strand (participates in β ladder)trans-161-169.2178.700000112W65 V86W65-G73 WeakPolarHBondContact O-CA 3.44Å; G73-V86 VanDerWaalsContact C-CG1 3.4Å; G73-V86 PolarHBondContact N-O 3.27Å; G73-V86 WeakPolarHBondContact O-CG1 3.48Å; G73-V86 PolarHBondContact O-N 2.82Å
74F96.8Very high94.6Very high61 Ų6166.9 Ų66.927%0.26831%0.309SS..EExtended strand (participates in β ladder)trans-131.4145.6171.2-73.2-98.8000110.9K64 W65 D83 V84 F85K64-F74 HydrophobicContact CB-CB 4.45Å; K64-F74 WeakPolarHBondContact CB-O 3.38Å; K64-F74 PolarHBondContact N-O 2.91Å; W65-F74 AromaticContact CE2-CD2 3.86Å; W65-F74 AromaticContact CH2-CD2 3.58Å; W65-F74 HydrophobicContact CH2-CD2 3.58Å; W65-F74 AromaticContact CH2-CE2 3.72Å; W65-F74 HydrophobicContact CH2-CE2 3.72Å; W65-F74 AromaticContact CZ2-CD2 3.29Å; W65-F74 HydrophobicContact CZ2-CD2 3.29Å; W65-F74 AromaticContact CZ2-CE2 3.63Å; W65-F74 HydrophobicContact CZ2-CE2 3.63Å; W65-F74 HydrophobicContact CZ2-CG 4.43Å; W65-F74 HydrophobicContact CZ3-CD2 4.39Å; W65-F74 PolarHBondContact O-N 2.89Å; W65-F74 VanDerWaalsContact O-N 3.1Å; F74-D83 HydrophobicContact CD1-CB 4.1Å; F74-V84 CarbonylContact C-O 3.58Å; F74-V84 WeakPolarHBondContact CA-O 3.49Å; F74-F85 HydrophobicContact CE1-CB 4.14Å; F74-F85 HydrophobicContact CE1-CD2 4.38Å; F74-F85 HydrophobicContact CE2-CD2 4.35Å; F74-F85 HydrophobicContact CZ-CD2 4.07Å
75I96.7Very high94.7Very high0 Ų063.3 Ų63.30%029%0.294CS..EExtended strand (participates in β ladder)trans-117.8125.5174.8-55.7163.7000107.2T62 V63 V84 V86 V109 F111 A122 V125T62-I75 CarbonylContact O-C 3.59Å; T62-I75 WeakPolarHBondContact O-CA 3.49Å; V63-I75 HydrophobicContact CG2-CG1 3.97Å; I75-V84 PolarHBondContact N-O 3.28Å; I75-V84 PolarHBondContact O-N 2.83Å; I75-V86 HydrophobicContact CD1-CB 3.81Å; I75-V86 HydrophobicContact CD1-CG1 3.96Å; I75-V86 HydrophobicContact CD1-CG2 4.1Å; I75-V86 HydrophobicContact CG1-CB 4.16Å; I75-V86 HydrophobicContact CG1-CG1 3.79Å; I75-V109 HydrophobicContact CD1-CG2 3.79Å; I75-V109 HydrophobicContact CG1-CG2 4.21Å; I75-V109 HydrophobicContact CG2-CG2 3.9Å; I75-F111 HydrophobicContact CB-CE1 4.33Å; I75-F111 HydrophobicContact CB-CZ 4.24Å; I75-F111 HydrophobicContact CD1-CD1 4.27Å; I75-F111 HydrophobicContact CD1-CE1 4.38Å; I75-F111 HydrophobicContact CD1-CG 4.43Å; I75-F111 HydrophobicContact CG2-CD1 4.31Å; I75-F111 HydrophobicContact CG2-CE1 3.51Å; I75-F111 HydrophobicContact CG2-CZ 3.77Å; I75-A122 HydrophobicContact CD1-CB 4.08Å; I75-V125 HydrophobicContact CD1-CG1 4.32Å; I75-V125 HydrophobicContact CD1-CG2 4.41Å
76N96.4Very high94.7Very high39 Ų3958.5 Ų58.521%0.20928%0.276CS..EExtended strand (participates in β ladder)trans-83.2124.7172-166-94.1000109G61 T62 N78 K81 E82 D83G61-N76 CarbonylContact C-O 3.56Å; G61-N76 WeakPolarHBondContact CA-O 3.38Å; T62-N76 PolarHBondContact N-O 3.26Å; T62-N76 PolarHBondContact O-N 3.11Å; N76-N78 PolarHBondContact O-N 2.75Å; N76-K81 PolarHBondContact ND2-O 2.87Å; N76-E82 WeakPolarHBondContact CA-O 3.39Å; N76-D83 PolarHBondContact ND2-OD1 3.27Å
77R94.9Very high94.7Very high20 Ų2060.8 Ų60.88%0.07529%0.286CS..EExtended strand (participates in β ladder)trans-69.7124.3175.6-73.7176.562.7-173.60.9109.4V59 D79 T80 K81 E82 V84 F111V59-R77 HydrophobicContact CG1-CB 4.43Å; V59-R77 HydrophobicContact CG1-CG 4.06Å; R77-D79 IonicContact CZ-OD2 3.53Å; R77-D79 IonicContact NH2-OD2 3.89Å; R77-D79 PolarHBondContact NH2-OD2 3.4Å; R77-D79 PolarHBondContact O-N 3.22Å; R77-D79 VanDerWaalsContact O-N 3.16Å; R77-T80 WeakPolarHBondContact CD-OG1 3.41Å; R77-T80 PolarHBondContact NE-OG1 3.16Å; R77-T80 VanDerWaalsContact NE-OG1 3.15Å; R77-T80 PolarHBondContact NH1-OG1 3.12Å; R77-K81 WeakPolarHBondContact O-CA 3.47Å; R77-K81 PolarHBondContact O-N 2.77Å; R77-E82 IonicContact CZ-OE2 2.72Å; R77-E82 PolarHBondContact N-O 2.95Å; R77-E82 IonicContact NE-OE2 3.27Å; R77-E82 IonicContact NH1-OE2 3.9Å; R77-E82 PolarHBondContact NH1-OE2 3.24Å; R77-V84 HydrophobicContact CG-CG2 3.69Å; R77-F111 HydrophobicContact CG-CE2 4.46Å; R77-F111 HydrophobicContact CG-CZ 3.91Å
78N90.6Very high94.6Very high83 Ų8361.3 Ų61.344%0.44429%0.287SS..THydrogen-bonded Turntrans-67.1-19.9178.8-63.9-10.7000112.7L60 T62 N76L60-N78 PolarHBondContact O-N 2.93Å; L60-N78 VanDerWaalsContact O-N 3.12Å; T62-N78 PolarHBondContact N-OD1 2.87Å; T62-N78 PolarHBondContact OG1-OD1 3.09Å; N76-N78 PolarHBondContact O-N 2.75Å
79D89.4Confident94.6Very high117 Ų11764.9 Ų64.963%0.62631%0.309SS*.THydrogen-bonded Turntrans-79.1-69.2-179.517546.1000111.9R77R77-D79 IonicContact CZ-OD2 3.53Å; R77-D79 IonicContact NH2-OD2 3.89Å; R77-D79 PolarHBondContact NH2-OD2 3.4Å; R77-D79 PolarHBondContact O-N 3.22Å; R77-D79 VanDerWaalsContact O-N 3.16Å
80T91.3Very high94.6Very high60 Ų6054.5 Ų54.537%0.36827%0.273SS..THydrogen-bonded Turntrans-90.5-7.9-177.954.60000115R77 E82R77-T80 WeakPolarHBondContact CD-OG1 3.41Å; R77-T80 PolarHBondContact NE-OG1 3.16Å; R77-T80 VanDerWaalsContact NE-OG1 3.15Å; R77-T80 PolarHBondContact NH1-OG1 3.12Å; T80-E82 VanDerWaalsContact CB-OE2 3.32Å; T80-E82 WeakPolarHBondContact CB-OE2 3.06Å; T80-E82 PolarHBondContact O-N 3.18Å; T80-E82 WeakPolarHBondContact OG1-CG 3.12Å; T80-E82 PolarHBondContact OG1-OE2 3.29Å
81K92.1Very high94.6Very high164 Ų16451 Ų5171%0.71325%0.254SS*.  trans60.312.7-171.3-56177.4-176172.70115N76 R77N76-K81 PolarHBondContact ND2-O 2.87Å; R77-K81 WeakPolarHBondContact O-CA 3.47Å; R77-K81 PolarHBondContact O-N 2.77Å
82E94Very high94.5Very high96 Ų9657.2 Ų57.245%0.44928%0.281SS..PPolyproline II helixtrans-73.4143.7175.4-64.2163147.800111.5N76 R77 T80N76-E82 WeakPolarHBondContact CA-O 3.39Å; R77-E82 IonicContact CZ-OE2 2.72Å; R77-E82 PolarHBondContact N-O 2.95Å; R77-E82 IonicContact NE-OE2 3.27Å; R77-E82 IonicContact NH1-OE2 3.9Å; R77-E82 PolarHBondContact NH1-OE2 3.24Å; T80-E82 VanDerWaalsContact CB-OE2 3.32Å; T80-E82 WeakPolarHBondContact CB-OE2 3.06Å; T80-E82 PolarHBondContact O-N 3.18Å; T80-E82 WeakPolarHBondContact OG1-CG 3.12Å; T80-E82 PolarHBondContact OG1-OE2 3.29Å
83D95.3Very high94.2Very high67 Ų6758 Ų5836%0.35829%0.286SS..EExtended strand (participates in β ladder)trans-83.7118.3170.2-79.9-5.4000110.2K64 F74 N76K64-D83 VanDerWaalsContact NZ-CG 3.35Å; K64-D83 IonicContact NZ-OD1 2.6Å; K64-D83 PolarHBondContact NZ-OD1 2.94Å; K64-D83 IonicContact NZ-OD2 2.63Å; K64-D83 PolarHBondContact NZ-OD2 2.81Å; F74-D83 HydrophobicContact CD1-CB 4.1Å; N76-D83 PolarHBondContact ND2-OD1 3.27Å
84V95.9Very high94Very high0 Ų059.3 Ų59.30%029%0.293CS..EExtended strand (participates in β ladder)trans-103.2132.8177.5-179.50000109.9F74 I75 R77 F111 A120 A122F74-V84 CarbonylContact C-O 3.58Å; F74-V84 WeakPolarHBondContact CA-O 3.49Å; I75-V84 PolarHBondContact N-O 3.28Å; I75-V84 PolarHBondContact O-N 2.83Å; R77-V84 HydrophobicContact CG-CG2 3.69Å; V84-F111 HydrophobicContact CB-CE2 4.1Å; V84-F111 HydrophobicContact CG1-CE2 3.96Å; V84-F111 HydrophobicContact CG2-CE2 4.14Å; V84-F111 HydrophobicContact CG2-CZ 4.48Å; V84-A120 HydrophobicContact CG1-CB 4.32Å; V84-A120 WeakPolarHBondContact CG1-O 3.46Å; V84-A120 HydrophobicContact CG2-CB 4.18Å; V84-A122 HydrophobicContact CG1-CB 3.8Å; V84-A122 VanDerWaalsContact CG1-N 3.31Å
85F96.6Very high93.7Very high41 Ų4157.7 Ų57.718%0.1829%0.287CS..EExtended strand (participates in β ladder)trans-70.7130.7177.9175-107.3000111.2Y72 F74 H87 A120 E121 A122Y72-F85 HydrophobicContact CD2-CE2 4.21Å; Y72-F85 HydrophobicContact CG-CE2 4.11Å; F74-F85 HydrophobicContact CE1-CB 4.14Å; F74-F85 HydrophobicContact CE1-CD2 4.38Å; F74-F85 HydrophobicContact CE2-CD2 4.35Å; F74-F85 HydrophobicContact CZ-CD2 4.07Å; F85-H87 HydrophobicContact CE1-CB 4Å; F85-H87 HydrophobicContact CZ-CB 4.24Å; F85-A120 PolarHBondContact N-O 2.86Å; F85-E121 HydrophobicContact CD1-CG 4.18Å; F85-E121 CarbonylContact O-C 3.6Å; F85-E121 WeakPolarHBondContact O-CA 3.22Å; F85-A122 PolarHBondContact O-N 2.84Å
86V96.1Very high93.3Very high0 Ų061.8 Ų61.80%031%0.314CS..EExtended strand (participates in β ladder)trans-121.3129.3174.357.60000111.6F66 Y72 G73 I75 A122 V125F66-V86 HydrophobicContact CD2-CG1 4.37Å; Y72-V86 CarbonylContact C-O 3.44Å; Y72-V86 VanDerWaalsContact CA-O 3.22Å; Y72-V86 WeakPolarHBondContact CA-O 3.32Å; Y72-V86 WeakPolarHBondContact CB-O 3.49Å; G73-V86 VanDerWaalsContact C-CG1 3.4Å; G73-V86 PolarHBondContact N-O 3.27Å; G73-V86 WeakPolarHBondContact O-CG1 3.48Å; G73-V86 PolarHBondContact O-N 2.82Å; I75-V86 HydrophobicContact CD1-CB 3.81Å; I75-V86 HydrophobicContact CD1-CG1 3.96Å; I75-V86 HydrophobicContact CD1-CG2 4.1Å; I75-V86 HydrophobicContact CG1-CB 4.16Å; I75-V86 HydrophobicContact CG1-CG1 3.79Å; V86-A122 HydrophobicContact CB-CB 4.15Å; V86-A122 HydrophobicContact CG2-CB 4.43Å; V86-V125 HydrophobicContact CG2-CG2 3.92Å
87H96.3Very high92.9Very high55 Ų5568.2 Ų68.226%0.25534%0.335SS..EExtended strand (participates in β ladder)trans-109.9152.3172.2-173-121.7000111.6G71 F85 T89 A90G71-H87 CarbonylContact O-C 3.59Å; G71-H87 PolarHBondContact O-CD2 2.81Å; F85-H87 HydrophobicContact CE1-CB 4Å; F85-H87 HydrophobicContact CZ-CB 4.24Å; H87-T89 PolarHBondContact ND1-OG1 3.45Å; H87-T89 PolarHBondContact O-N 2.89Å; H87-A90 WeakPolarHBondContact O-CB 3.46Å; H87-A90 PolarHBondContact O-N 3.1Å
88Q94.5Very high92.6Very high70 Ų7068.1 Ų68.133%0.32734%0.335SS..THydrogen-bonded Turntrans-58.2-23.7-178.260173.9-1000114.1F66 G71 R101F66-Q88 HydrophobicContact CZ-CB 4.27Å; G71-Q88 WeakPolarHBondContact O-CB 3.39Å; G71-Q88 WeakPolarHBondContact O-CG 3.35Å; G71-Q88 PolarHBondContact O-N 3.27Å; Q88-R101 HydrophobicContact CB-CB 4.24Å; Q88-R101 WeakPolarHBondContact O-CD 3.31Å
89T94.3Very high92.3Very high101 Ų10169.9 Ų69.962%0.6234%0.336SS*.THydrogen-bonded Turntrans-72.5-29.2175.6530000112.8H87 I91H87-T89 PolarHBondContact ND1-OG1 3.45Å; H87-T89 PolarHBondContact O-N 2.89Å; T89-I91 VanDerWaalsContact C-N 3.27Å; T89-I91 PolarHBondContact O-N 2.89Å
90A94.3Very high92.3Very high13 Ų1368.2 Ų68.211%0.10733%0.327CS..THydrogen-bonded Turntrans-72.2-20.2178.800000113.6H87 K92 A122 N124 V125H87-A90 WeakPolarHBondContact O-CB 3.46Å; H87-A90 PolarHBondContact O-N 3.1Å; A90-K92 PolarHBondContact O-N 2.83Å; A90-A122 WeakPolarHBondContact CB-O 3.39Å; A90-N124 PolarHBondContact O-N 3.12Å; A90-V125 HydrophobicContact CB-CG2 4.18Å; A90-V125 PolarHBondContact O-N 3.16Å
91I94.5Very high92.5Very high0 Ų070.6 Ų70.60%033%0.329CS..BIsolated β-bridgetrans-70.993.3179-54.5172.1000109.1F66 T89 R101 V103 V125 V133F66-I91 HydrophobicContact CE2-CD1 4.31Å; F66-I91 HydrophobicContact CZ-CD1 4.34Å; T89-I91 VanDerWaalsContact C-N 3.27Å; T89-I91 PolarHBondContact O-N 2.89Å; I91-R101 HydrophobicContact CB-CB 4.4Å; I91-R101 HydrophobicContact CD1-CB 4.17Å; I91-R101 PolarHBondContact O-NH1 2.98Å; I91-V103 HydrophobicContact CD1-CG2 3.58Å; I91-V103 HydrophobicContact CG1-CG2 4.09Å; I91-V125 HydrophobicContact CG1-CB 4.47Å; I91-V133 HydrophobicContact CG2-CG2 3.95Å
92K91.4Very high92.6Very high131 Ų13162.8 Ų62.857%0.5730%0.295SS*.  trans-64.2-56179.1-88.7-175.7168.3164.80111.2A90 R101 N124 V125A90-K92 PolarHBondContact O-N 2.83Å; K92-R101 PolarHBondContact O-NH1 3.33Å; K92-N124 HydrophobicContact CD-CB 3.98Å; K92-N124 WeakPolarHBondContact CD-OD1 3.46Å; K92-N124 WeakPolarHBondContact CE-OD1 3.48Å; K92-N124 PolarHBondContact NZ-ND2 3.31Å; K92-N124 PolarHBondContact NZ-OD1 3.21Å; K92-V125 PolarHBondContact N-O 3.23Å
93K90.5Very high92.6Very high101 Ų10158.2 Ų58.244%0.43927%0.274SS..SBendtrans-102.283.9-174.3-64.1178.6178.3164.90112.2T126 G130 P132 V133K93-T126 HydrophobicContact CB-CG2 3.98Å; K93-T126 HydrophobicContact CD-CG2 3.71Å; K93-T126 HydrophobicContact CG-CG2 3.82Å; K93-G130 WeakPolarHBondContact CD-O 3.27Å; K93-G130 WeakPolarHBondContact CE-O 3.41Å; K93-G130 PolarHBondContact NZ-O 2.78Å; K93-P132 WeakPolarHBondContact O-CA 3.11Å; K93-V133 PolarHBondContact O-N 2.97Å; K93-V133 VanDerWaalsContact O-N 3.08Å
94N91.9Very high92.6Very high26 Ų2655.4 Ų55.414%0.13926%0.26CS..  trans-72152.5175.5-170.527.2000112.9P96 L100 R101N94-P96 WeakPolarHBondContact O-CD 3.36Å; N94-L100 PolarHBondContact ND2-O 3.42Å; N94-L100 PolarHBondContact OD1-O 2.94Å; N94-R101 HydrophobicContact CB-CG 4.12Å
95N91.2Very high92.6Very high28 Ų2858.5 Ų58.515%0.1528%0.277CS..  trans-57.5120.2172.3-163.1-37.9000111.1R97 K98 V133 Q134N95-R97 PolarHBondContact O-N 2.76Å; N95-R97 VanDerWaalsContact O-N 3.07Å; N95-R97 VanDerWaalsContact OD1-CB 3.29Å; N95-R97 WeakPolarHBondContact OD1-CB 2.97Å; N95-R97 PolarHBondContact OD1-N 3.16Å; N95-K98 HydrophobicContact CB-CB 4.21Å; N95-K98 HydrophobicContact CB-CD 4.29Å; N95-K98 HydrophobicContact CB-CG 4.19Å; N95-K98 PolarHBondContact O-N 2.8Å; N95-V133 VanDerWaalsContact CB-O 3.23Å; N95-V133 WeakPolarHBondContact CB-O 3.46Å; N95-Q134 PolarHBondContact ND2-O 3.28Å
96P88.3Confident92.5Very high86 Ų8659.3 Ų59.356%0.55830%0.297SS*.THydrogen-bonded Turntrans-64.1-16.2178.226.8-35.4000113.1N94 R142N94-P96 WeakPolarHBondContact O-CD 3.36Å; P96-R142 VanDerWaalsContact O-CD 3.28Å; P96-R142 WeakPolarHBondContact O-CD 3.49Å; P96-R142 PolarHBondContact O-NE 3Å
97R87Confident92.5Very high174 Ų17460.5 Ų60.566%0.65730%0.303SS*.THydrogen-bonded Turntrans-82.7-15.6175.1-61.6-178.4174.3170.40.7113.8N95 D141 R142N95-R97 PolarHBondContact O-N 2.76Å; N95-R97 VanDerWaalsContact O-N 3.07Å; N95-R97 VanDerWaalsContact OD1-CB 3.29Å; N95-R97 WeakPolarHBondContact OD1-CB 2.97Å; N95-R97 PolarHBondContact OD1-N 3.16Å; R97-D141 CarbonylContact O-C 3.49Å; R97-D141 VanDerWaalsContact O-CA 3.29Å; R97-D141 WeakPolarHBondContact O-CA 3.45Å; R97-R142 WeakPolarHBondContact O-CG 3.29Å; R97-R142 PolarHBondContact O-N 2.69Å
98K88.6Confident92.5Very high18 Ų1860.9 Ų60.98%0.07831%0.309CS..BIsolated β-bridgetrans-107.5147-175.9-66.1-178174.7177.80112.3N95 Q134 G135 S136 A139 R142N95-K98 HydrophobicContact CB-CB 4.21Å; N95-K98 HydrophobicContact CB-CD 4.29Å; N95-K98 HydrophobicContact CB-CG 4.19Å; N95-K98 PolarHBondContact O-N 2.8Å; K98-Q134 WeakPolarHBondContact CE-O 3.42Å; K98-Q134 PolarHBondContact NZ-O 2.91Å; K98-G135 PolarHBondContact NZ-O 3.02Å; K98-S136 PolarHBondContact NZ-O 3.08Å; K98-A139 HydrophobicContact CD-CB 4.25Å; K98-R142 PolarHBondContact O-NE 3.17Å; K98-R142 PolarHBondContact O-NH2 3.06Å
99Y84.9Confident92.5Very high119 Ų11957.5 Ų57.547%0.46729%0.293SS..SBendtrans-74.7-49.1177.1-77.8-68.9000111.7A140 D141 R142 Y145Y99-A140 HydrophobicContact CD2-CB 4.32Å; Y99-A140 WeakPolarHBondContact CD2-O 3.47Å; Y99-A140 PolarHBondContact N-O 3.46Å; Y99-D141 WeakPolarHBondContact CE2-O 3.47Å; Y99-R142 HydrophobicContact CD1-CG 3.83Å; Y99-R142 HydrophobicContact CD2-CG 4.22Å; Y99-R142 HydrophobicContact CE1-CB 4.33Å; Y99-R142 HydrophobicContact CE1-CG 3.87Å; Y99-R142 VanDerWaalsContact CE2-CA 3.41Å; Y99-R142 HydrophobicContact CE2-CB 4.34Å; Y99-R142 HydrophobicContact CE2-CG 4.3Å; Y99-R142 HydrophobicContact CG-CG 4Å; Y99-R142 PolarHBondContact OH-O 2.96Å; Y99-Y145 HydrophobicContact CE2-CD2 4.23Å; Y99-Y145 HydrophobicContact CE2-CE2 4.31Å
100L90.1Very high92.6Very high82 Ų8254.4 Ų54.443%0.42927%0.271SS..SBendtrans-86153.3-176.7-58.7175.7000111.3V68 N94V68-L100 HydrophobicContact CG1-CD1 3.64Å; N94-L100 PolarHBondContact ND2-O 3.42Å; N94-L100 PolarHBondContact OD1-O 2.94Å
101R93.8Very high92.7Very high111 Ų11153.9 Ų53.942%0.41927%0.267SS..  trans-80.3119.7165.7-61.7-174.6-174.9-99.11.4107.4Q88 I91 K92 N94Q88-R101 HydrophobicContact CB-CB 4.24Å; Q88-R101 WeakPolarHBondContact O-CD 3.31Å; I91-R101 HydrophobicContact CB-CB 4.4Å; I91-R101 HydrophobicContact CD1-CB 4.17Å; I91-R101 PolarHBondContact O-NH1 2.98Å; K92-R101 PolarHBondContact O-NH1 3.33Å; N94-R101 HydrophobicContact CB-CG 4.12Å
102S93.9Very high92.7Very high0 Ų055.1 Ų55.10%027%0.273CS..  trans-155.9158.718059.90000109.7F66 V133 G135 S136 A139F66-S102 VanDerWaalsContact CE1-CA 3.47Å; S102-V133 WeakPolarHBondContact O-CG2 3.18Å; S102-G135 WeakPolarHBondContact O-CA 3.47Å; S102-S136 PolarHBondContact OG-N 3.08Å; S102-S136 VanDerWaalsContact OG-N 3.16Å; S102-A139 VanDerWaalsContact OG-CB 3.3Å; S102-A139 WeakPolarHBondContact OG-CB 3.29Å
103V95.5Very high92.9Very high0 Ų049 Ų490%025%0.247CC..  trans-113.6152.1173.1-156.80000109V63 F66 I91 E107 V109 S136V63-V103 HydrophobicContact CB-CG1 4.37Å; V63-V103 HydrophobicContact CG1-CB 4.36Å; V63-V103 HydrophobicContact CG1-CG1 4.43Å; V63-V103 HydrophobicContact CG2-CB 4.1Å; V63-V103 HydrophobicContact CG2-CG1 3.39Å; F66-V103 HydrophobicContact CD2-CB 4.49Å; F66-V103 HydrophobicContact CD2-CG2 4.26Å; I91-V103 HydrophobicContact CD1-CG2 3.58Å; I91-V103 HydrophobicContact CG1-CG2 4.09Å; V103-E107 HydrophobicContact CG1-CB 4.18Å; V103-E107 HydrophobicContact CG1-CG 4.38Å; V103-V109 HydrophobicContact CG1-CG1 3.68Å; V103-S136 VanDerWaalsContact C-N 3.34Å; V103-S136 WeakPolarHBondContact O-CA 3.49Å; V103-S136 VanDerWaalsContact O-CB 3.28Å; V103-S136 WeakPolarHBondContact O-CB 3.44Å; V103-S136 PolarHBondContact O-N 2.95Å; V103-S136 VanDerWaalsContact O-N 3.11Å
104G94.6Very high93.1Very high7 Ų744.7 Ų44.77%0.07223%0.229CC..  trans-74.8139.9172.900000111.7V63 G106 E107V63-G104 VanDerWaalsContact CB-O 3.26Å; V63-G104 WeakPolarHBondContact CB-O 3.41Å; V63-G104 VanDerWaalsContact CG1-O 3.3Å; V63-G104 WeakPolarHBondContact CG1-O 3.3Å; G104-G106 PolarHBondContact O-N 2.69Å; G104-E107 WeakPolarHBondContact CA-OE2 2.93Å; G104-E107 PolarHBondContact N-OE2 2.78Å; G104-E107 WeakPolarHBondContact O-CB 3.34Å; G104-E107 PolarHBondContact O-N 2.81Å; G104-E107 VanDerWaalsContact O-N 3.1Å
105D95.3Very high93.2Very high65 Ų6548.4 Ų48.435%0.34825%0.246SC..THydrogen-bonded Turntrans-64.4129.5168.4-42.7-61.4000108.4W65 F66 E107W65-D105 WeakPolarHBondContact CA-OD1 3.44Å; F66-D105 PolarHBondContact N-OD1 2.74Å; D105-E107 VanDerWaalsContact C-N 3.29Å; D105-E107 PolarHBondContact O-N 3.31Å
106G95.3Very high93.2Very high58 Ų5847.9 Ų47.960%0.59825%0.246SC*.THydrogen-bonded Turntrans75.16.2-17200000115.6V63 G104V63-G106 WeakPolarHBondContact O-CA 3.11Å; V63-G106 PolarHBondContact O-N 3.37Å; G104-G106 PolarHBondContact O-N 2.69Å
107E95.5Very high93.2Very high26 Ų2652.4 Ų52.412%0.12126%0.26CS..  trans-73.8130.1176-170.8178.4164.900110.6V63 V103 G104 D105 V109 V133 Q134 G135V63-E107 HydrophobicContact CG2-CB 4.44Å; V63-E107 VanDerWaalsContact CG2-O 3.25Å; V63-E107 WeakPolarHBondContact CG2-O 3.32Å; V63-E107 PolarHBondContact N-O 3.13Å; V103-E107 HydrophobicContact CG1-CB 4.18Å; V103-E107 HydrophobicContact CG1-CG 4.38Å; G104-E107 WeakPolarHBondContact CA-OE2 2.93Å; G104-E107 PolarHBondContact N-OE2 2.78Å; G104-E107 WeakPolarHBondContact O-CB 3.34Å; G104-E107 PolarHBondContact O-N 2.81Å; G104-E107 VanDerWaalsContact O-N 3.1Å; D105-E107 VanDerWaalsContact C-N 3.29Å; D105-E107 PolarHBondContact O-N 3.31Å; E107-V109 HydrophobicContact CG-CG1 4.17Å; E107-V133 VanDerWaalsContact OE1-CA 3.27Å; E107-V133 WeakPolarHBondContact OE1-CA 3.4Å; E107-V133 WeakPolarHBondContact OE1-CB 3.32Å; E107-Q134 PolarHBondContact OE1-N 2.73Å; E107-G135 PolarHBondContact OE2-N 2.78Å
108T96Very high93.3Very high62 Ų6252.3 Ų52.338%0.3826%0.264SS..EExtended strand (participates in β ladder)trans-76.3128.9169-52.50000109.6G61 P128G61-T108 WeakPolarHBondContact O-CA 3.33Å; T108-P128 WeakPolarHBondContact O-CD 3.3Å
109V96.3Very high93.4Very high0 Ų053.4 Ų53.40%028%0.281CS..EExtended strand (participates in β ladder)trans-133.4154.1-176.7-69.20000112.2L60 G61 V63 I75 V103 E107 F111 V125 T126 V133L60-V109 WeakPolarHBondContact CA-O 3.38Å; G61-V109 PolarHBondContact N-O 3.17Å; G61-V109 PolarHBondContact O-N 2.85Å; V63-V109 HydrophobicContact CG2-CG1 4.14Å; V63-V109 HydrophobicContact CG2-CG2 3.83Å; I75-V109 HydrophobicContact CD1-CG2 3.79Å; I75-V109 HydrophobicContact CG1-CG2 4.21Å; I75-V109 HydrophobicContact CG2-CG2 3.9Å; V103-V109 HydrophobicContact CG1-CG1 3.68Å; E107-V109 HydrophobicContact CG-CG1 4.17Å; V109-F111 HydrophobicContact CG2-CD1 4.14Å; V109-F111 HydrophobicContact CG2-CE1 4.49Å; V109-V125 HydrophobicContact CB-CG1 4.07Å; V109-V125 HydrophobicContact CG1-CG1 4.31Å; V109-V125 HydrophobicContact CG2-CG1 4.23Å; V109-T126 CarbonylContact C-O 3.59Å; V109-T126 WeakPolarHBondContact CA-O 3.29Å; V109-T126 VanDerWaalsContact CB-O 3.31Å; V109-T126 WeakPolarHBondContact CB-O 3.48Å; V109-V133 HydrophobicContact CG1-CG1 4.34Å
110E96.2Very high93.8Very high35 Ų3549.4 Ų49.416%0.16427%0.272CS..EExtended strand (participates in β ladder)trans-109.3124.3175.6-173.3-174.8155.300108.8K58 V59 L60 T126 G129 G130K58-E110 HydrophobicContact CB-CG 4.2Å; V59-E110 WeakPolarHBondContact O-CA 3.33Å; L60-E110 HydrophobicContact CD2-CB 3.87Å; L60-E110 HydrophobicContact CD2-CG 4.2Å; E110-T126 PolarHBondContact N-O 2.81Å; E110-T126 PolarHBondContact O-N 2.71Å; E110-T126 PolarHBondContact O-OG1 3.27Å; E110-G129 WeakPolarHBondContact OE2-CA 3.23Å; E110-G129 PolarHBondContact OE2-N 3.29Å; E110-G130 PolarHBondContact OE2-N 2.81Å
111F95.9Very high94.1Very high2 Ų247 Ų471%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-150.2161.1-173.563.5-78.4000112.4K58 V59 I75 R77 V84 V109 V113 A122 V125K58-F111 CarbonylContact C-O 3.5Å; K58-F111 WeakPolarHBondContact CA-O 3.28Å; K58-F111 PolarHBondContact N-O 3.36Å; V59-F111 HydrophobicContact CG1-CZ 4.47Å; V59-F111 PolarHBondContact N-O 3.3Å; V59-F111 VanDerWaalsContact O-CD1 3.31Å; V59-F111 WeakPolarHBondContact O-CD1 3.3Å; V59-F111 PolarHBondContact O-N 2.85Å; I75-F111 HydrophobicContact CB-CE1 4.33Å; I75-F111 HydrophobicContact CB-CZ 4.24Å; I75-F111 HydrophobicContact CD1-CD1 4.27Å; I75-F111 HydrophobicContact CD1-CE1 4.38Å; I75-F111 HydrophobicContact CD1-CG 4.43Å; I75-F111 HydrophobicContact CG2-CD1 4.31Å; I75-F111 HydrophobicContact CG2-CE1 3.51Å; I75-F111 HydrophobicContact CG2-CZ 3.77Å; R77-F111 HydrophobicContact CG-CE2 4.46Å; R77-F111 HydrophobicContact CG-CZ 3.91Å; V84-F111 HydrophobicContact CB-CE2 4.1Å; V84-F111 HydrophobicContact CG1-CE2 3.96Å; V84-F111 HydrophobicContact CG2-CE2 4.14Å; V84-F111 HydrophobicContact CG2-CZ 4.48Å; V109-F111 HydrophobicContact CG2-CD1 4.14Å; V109-F111 HydrophobicContact CG2-CE1 4.49Å; F111-V113 HydrophobicContact CD2-CG2 4.29Å; F111-V113 HydrophobicContact CE2-CG2 3.86Å; F111-A122 HydrophobicContact CB-CB 4.4Å; F111-A122 HydrophobicContact CD2-CB 3.55Å; F111-A122 HydrophobicContact CE2-CB 4.09Å; F111-A122 HydrophobicContact CG-CB 4.19Å; F111-V125 HydrophobicContact CB-CB 4.36Å; F111-V125 HydrophobicContact CB-CG1 4.48Å; F111-V125 HydrophobicContact CB-CG2 3.92Å
112D95.2Very high94.2Very high27 Ų2741.7 Ų41.714%0.14424%0.239CC..EExtended strand (participates in β ladder)trans-96.2140.3171-57.1-41.7000108.7A56 T57 K58 A122 A123 N124A56-D112 CarbonylContact O-C 3.54Å; A56-D112 WeakPolarHBondContact O-CA 3.26Å; T57-D112 WeakPolarHBondContact CA-OD1 3.16Å; T57-D112 WeakPolarHBondContact CB-OD1 3.25Å; K58-D112 PolarHBondContact N-OD1 3.38Å; D112-A122 CarbonylContact O-C 3.57Å; D112-A122 WeakPolarHBondContact O-CA 3.31Å; D112-A123 HydrophobicContact CB-CB 4.41Å; D112-A123 PolarHBondContact N-O 3.02Å; D112-A123 PolarHBondContact O-N 2.84Å; D112-N124 VanDerWaalsContact OD2-CB 3.3Å; D112-N124 WeakPolarHBondContact OD2-CB 3.43Å; D112-N124 PolarHBondContact OD2-ND2 2.87Å
113V95.3Very high94.2Very high1 Ų142.6 Ų42.61%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-93.6122.1175-172.40000107.9I55 A56 V59 F111 A120I55-V113 HydrophobicContact CB-CB 4.35Å; I55-V113 HydrophobicContact CB-CG1 4.19Å; I55-V113 HydrophobicContact CD1-CG1 4.3Å; I55-V113 PolarHBondContact N-O 2.72Å; A56-V113 HydrophobicContact CB-CB 4.18Å; A56-V113 HydrophobicContact CB-CG2 4.15Å; A56-V113 PolarHBondContact N-O 2.86Å; A56-V113 PolarHBondContact O-N 2.84Å; V59-V113 HydrophobicContact CB-CG2 4.4Å; V59-V113 HydrophobicContact CG2-CG2 4.01Å; F111-V113 HydrophobicContact CD2-CG2 4.29Å; F111-V113 HydrophobicContact CE2-CG2 3.86Å; V113-A120 HydrophobicContact CG1-CB 3.99Å
114V94.7Very high94.2Very high11 Ų1145.2 Ų45.27%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-120.6154.1176.5-57.70000111.1K52 K53 V54 G116 E121 A123K52-V114 HydrophobicContact CB-CB 4.03Å; K52-V114 HydrophobicContact CB-CG2 4.22Å; K52-V114 HydrophobicContact CD-CG2 4.05Å; K53-V114 CarbonylContact O-C 3.58Å; K53-V114 WeakPolarHBondContact O-CA 3.21Å; V54-V114 HydrophobicContact CG2-CG1 4.1Å; V114-G116 PolarHBondContact O-N 3.43Å; V114-E121 HydrophobicContact CG2-CB 4.06Å; V114-E121 HydrophobicContact CG2-CG 4.35Å; V114-E121 WeakPolarHBondContact CG2-O 3.42Å; V114-E121 PolarHBondContact N-O 3.42Å; V114-E121 PolarHBondContact O-N 2.97Å; V114-A123 HydrophobicContact CG1-CB 3.71Å; V114-A123 HydrophobicContact CG2-CB 4.01Å
115E93.6Very high94.2Very high105 Ų10544.9 Ų44.949%0.49126%0.257SS..EExtended strand (participates in β ladder)trans-72.8115.4171.1-165.9167.4-173.600109.5K53 I55K53-E115 HydrophobicContact CB-CB 4.15Å; K53-E115 WeakPolarHBondContact CD-OE2 3.37Å; K53-E115 PolarHBondContact O-N 2.81Å; I55-E115 HydrophobicContact CD1-CB 4.21Å
116G90.8Very high94.3Very high16 Ų1642.4 Ų42.417%0.16524%0.244CC..EExtended strand (participates in β ladder)trans-118.9173.2179.900000112.5V114 K118 G119V114-G116 PolarHBondContact O-N 3.43Å; G116-K118 PolarHBondContact O-N 3.48Å; G116-G119 CarbonylContact C-O 3.51Å; G116-G119 WeakPolarHBondContact CA-O 3.14Å; G116-G119 PolarHBondContact N-O 3.11Å; G116-G119 PolarHBondContact O-N 3.26Å; G116-G119 VanDerWaalsContact O-N 3.12Å
117E89.4Confident94.2Very high181 Ų18139.7 Ų39.785%0.84622%0.217SC*.THydrogen-bonded Turntrans-57.6-20.2-176.3-63.1168.3-168.700114.3
118K87.6Confident94.2Very high172 Ų17241.8 Ų41.875%0.74823%0.232SC*.THydrogen-bonded Turntrans-12126.1-175.6-60.3-176.8-179.4-179.40112.2G116G116-K118 PolarHBondContact O-N 3.48Å
119G91.9Very high94Very high42 Ų4242.3 Ų42.343%0.43325%0.25SC..EExtended strand (participates in β ladder)trans90.3-144.5-171.100000111.8G116 E121G116-G119 CarbonylContact C-O 3.51Å; G116-G119 WeakPolarHBondContact CA-O 3.14Å; G116-G119 PolarHBondContact N-O 3.11Å; G116-G119 PolarHBondContact O-N 3.26Å; G116-G119 VanDerWaalsContact O-N 3.12Å; G119-E121 PolarHBondContact O-N 3.1Å
120A93.8Very high93.8Very high34 Ų3443 Ų4328%0.28126%0.257SS..EExtended strand (participates in β ladder)trans-64.1118.5-175.400000112.4V84 F85 V113V84-A120 HydrophobicContact CG1-CB 4.32Å; V84-A120 WeakPolarHBondContact CG1-O 3.46Å; V84-A120 HydrophobicContact CG2-CB 4.18Å; F85-A120 PolarHBondContact N-O 2.86Å; V113-A120 HydrophobicContact CG1-CB 3.99Å
121E95.5Very high93.7Very high31 Ų3144.9 Ų44.915%0.14527%0.271CS..EExtended strand (participates in β ladder)trans-111.9138.9175.9178.8178.6170.700109.9K52 F85 V114 G119K52-E121 VanDerWaalsContact NZ-CD 3.29Å; K52-E121 IonicContact NZ-OE1 2.89Å; K52-E121 PolarHBondContact NZ-OE1 2.89Å; K52-E121 IonicContact NZ-OE2 3.55Å; K52-E121 PolarHBondContact NZ-OE2 3.03Å; F85-E121 HydrophobicContact CD1-CG 4.18Å; F85-E121 CarbonylContact O-C 3.6Å; F85-E121 WeakPolarHBondContact O-CA 3.22Å; V114-E121 HydrophobicContact CG2-CB 4.06Å; V114-E121 HydrophobicContact CG2-CG 4.35Å; V114-E121 WeakPolarHBondContact CG2-O 3.42Å; V114-E121 PolarHBondContact N-O 3.42Å; V114-E121 PolarHBondContact O-N 2.97Å; G119-E121 PolarHBondContact O-N 3.1Å
122A95.6Very high93.6Very high0 Ų048.1 Ų48.10%029%0.292CS..EExtended strand (participates in β ladder)trans-82.5122.5174.600000109.3I75 V84 F85 V86 A90 F111 D112 V125I75-A122 HydrophobicContact CD1-CB 4.08Å; V84-A122 HydrophobicContact CG1-CB 3.8Å; V84-A122 VanDerWaalsContact CG1-N 3.31Å; F85-A122 PolarHBondContact O-N 2.84Å; V86-A122 HydrophobicContact CB-CB 4.15Å; V86-A122 HydrophobicContact CG2-CB 4.43Å; A90-A122 WeakPolarHBondContact CB-O 3.39Å; F111-A122 HydrophobicContact CB-CB 4.4Å; F111-A122 HydrophobicContact CD2-CB 3.55Å; F111-A122 HydrophobicContact CE2-CB 4.09Å; F111-A122 HydrophobicContact CG-CB 4.19Å; D112-A122 CarbonylContact O-C 3.57Å; D112-A122 WeakPolarHBondContact O-CA 3.31Å; A122-V125 HydrophobicContact CB-CG2 3.88Å
123A94.6Very high93.6Very high19 Ų1946.8 Ų46.816%0.15729%0.285CS..EExtended strand (participates in β ladder)trans-102.4162166.800000110.7D112 V114 V125D112-A123 HydrophobicContact CB-CB 4.41Å; D112-A123 PolarHBondContact N-O 3.02Å; D112-A123 PolarHBondContact O-N 2.84Å; V114-A123 HydrophobicContact CG1-CB 3.71Å; V114-A123 HydrophobicContact CG2-CB 4.01Å; A123-V125 PolarHBondContact O-N 3.22Å; A123-V125 VanDerWaalsContact O-N 3.08Å
124N94.7Very high93.5Very high55 Ų5553.5 Ų53.529%0.29432%0.316SS..EExtended strand (participates in β ladder)trans58.527.1166.3-58-19.2000116.1A90 K92 D112 T126A90-N124 PolarHBondContact O-N 3.12Å; K92-N124 HydrophobicContact CD-CB 3.98Å; K92-N124 WeakPolarHBondContact CD-OD1 3.46Å; K92-N124 WeakPolarHBondContact CE-OD1 3.48Å; K92-N124 PolarHBondContact NZ-ND2 3.31Å; K92-N124 PolarHBondContact NZ-OD1 3.21Å; D112-N124 VanDerWaalsContact OD2-CB 3.3Å; D112-N124 WeakPolarHBondContact OD2-CB 3.43Å; D112-N124 PolarHBondContact OD2-ND2 2.87Å; N124-T126 PolarHBondContact O-N 2.93Å
125V95.9Very high93.4Very high0 Ų053 Ų530%031%0.314CS..EExtended strand (participates in β ladder)trans-59.5126.6-172.4-1700000111.9I75 V86 A90 I91 K92 V109 F111 A122 A123I75-V125 HydrophobicContact CD1-CG1 4.32Å; I75-V125 HydrophobicContact CD1-CG2 4.41Å; V86-V125 HydrophobicContact CG2-CG2 3.92Å; A90-V125 HydrophobicContact CB-CG2 4.18Å; A90-V125 PolarHBondContact O-N 3.16Å; I91-V125 HydrophobicContact CG1-CB 4.47Å; K92-V125 PolarHBondContact N-O 3.23Å; V109-V125 HydrophobicContact CB-CG1 4.07Å; V109-V125 HydrophobicContact CG1-CG1 4.31Å; V109-V125 HydrophobicContact CG2-CG1 4.23Å; F111-V125 HydrophobicContact CB-CB 4.36Å; F111-V125 HydrophobicContact CB-CG1 4.48Å; F111-V125 HydrophobicContact CB-CG2 3.92Å; A122-V125 HydrophobicContact CB-CG2 3.88Å; A123-V125 PolarHBondContact O-N 3.22Å; A123-V125 VanDerWaalsContact O-N 3.08Å
126T96Very high93.3Very high14 Ų1448 Ų489%0.08629%0.291CS..EExtended strand (participates in β ladder)trans-139.6167.4177.257.20000110.6K93 V109 E110 N124K93-T126 HydrophobicContact CB-CG2 3.98Å; K93-T126 HydrophobicContact CD-CG2 3.71Å; K93-T126 HydrophobicContact CG-CG2 3.82Å; V109-T126 CarbonylContact C-O 3.59Å; V109-T126 WeakPolarHBondContact CA-O 3.29Å; V109-T126 VanDerWaalsContact CB-O 3.31Å; V109-T126 WeakPolarHBondContact CB-O 3.48Å; E110-T126 PolarHBondContact N-O 2.81Å; E110-T126 PolarHBondContact O-N 2.71Å; E110-T126 PolarHBondContact O-OG1 3.27Å; N124-T126 PolarHBondContact O-N 2.93Å
127G94.7Very high93.3Very high1 Ų154.9 Ų54.91%0.0132%0.316CS..BIsolated β-bridgetrans-74.7168.5165.900000111.2G129 G130 V131G127-G129 PolarHBondContact O-N 2.78Å; G127-G130 WeakPolarHBondContact O-CA 3.37Å; G127-G130 PolarHBondContact O-N 3.47Å; G127-V131 PolarHBondContact N-O 3.16Å; G127-V131 PolarHBondContact O-N 3.26Å
128P94Very high93.4Very high69 Ų6953.8 Ų53.845%0.44831%0.305SS..G310 helixtrans-57.2134.6-174.924.5-35.6000112.3T108 G130 V131T108-P128 WeakPolarHBondContact O-CD 3.3Å; P128-G130 PolarHBondContact O-N 2.74Å; P128-V131 WeakPolarHBondContact O-CG2 3.48Å
129G92Very high93.5Very high73 Ų7345.9 Ų45.975%0.75327%0.272SS*.G310 helixtrans71.320.7-174.100000112.8E110 G127 V131E110-G129 WeakPolarHBondContact OE2-CA 3.23Å; E110-G129 PolarHBondContact OE2-N 3.29Å; G127-G129 PolarHBondContact O-N 2.78Å; G129-V131 PolarHBondContact O-N 2.96Å
130G91.9Very high93.4Very high15 Ų1546.7 Ų46.716%0.15528%0.275CS..G310 helixtrans6825.3-177.600000115.1K93 E110 G127 P128K93-G130 WeakPolarHBondContact CD-O 3.27Å; K93-G130 WeakPolarHBondContact CE-O 3.41Å; K93-G130 PolarHBondContact NZ-O 2.78Å; E110-G130 PolarHBondContact OE2-N 2.81Å; G127-G130 WeakPolarHBondContact O-CA 3.37Å; G127-G130 PolarHBondContact O-N 3.47Å; P128-G130 PolarHBondContact O-N 2.74Å
131V94.3Very high93.1Very high74 Ų7447.8 Ų47.845%0.44828%0.276SS..BIsolated β-bridgetrans-69.5160.1171.9-59.60000111.3G127 P128 G129G127-V131 PolarHBondContact N-O 3.16Å; G127-V131 PolarHBondContact O-N 3.26Å; P128-V131 WeakPolarHBondContact O-CG2 3.48Å; G129-V131 PolarHBondContact O-N 2.96Å
132P94.2Very high92.5Very high70 Ų7051.4 Ų51.446%0.45529%0.288SS..PPolyproline II helixtrans-64.1138.5170.1-18.131.9000110.9K93K93-P132 WeakPolarHBondContact O-CA 3.11Å
133V95.3Very high91.4Very high0 Ų056.2 Ų56.20%031%0.313CS..PPolyproline II helixtrans-59.5147.3177.8-61.70000111.4I91 K93 N95 S102 E107 V109I91-V133 HydrophobicContact CG2-CG2 3.95Å; K93-V133 PolarHBondContact O-N 2.97Å; K93-V133 VanDerWaalsContact O-N 3.08Å; N95-V133 VanDerWaalsContact CB-O 3.23Å; N95-V133 WeakPolarHBondContact CB-O 3.46Å; S102-V133 WeakPolarHBondContact O-CG2 3.18Å; E107-V133 VanDerWaalsContact OE1-CA 3.27Å; E107-V133 WeakPolarHBondContact OE1-CA 3.4Å; E107-V133 WeakPolarHBondContact OE1-CB 3.32Å; V109-V133 HydrophobicContact CG1-CG1 4.34Å
134Q92.2Very high89.8Confident141 Ų14161.3 Ų61.366%0.65933%0.334SS*.  trans-67.3-42.4173176.7174.7-5100110.5N95 K98 E107N95-Q134 PolarHBondContact ND2-O 3.28Å; K98-Q134 WeakPolarHBondContact CE-O 3.42Å; K98-Q134 PolarHBondContact NZ-O 2.91Å; E107-Q134 PolarHBondContact OE1-N 2.73Å
135G92.8Very high87.9Confident2 Ų267.9 Ų67.92%0.02136%0.356CS..  trans77.8163.4175.100000114.2K98 S102 E107K98-G135 PolarHBondContact NZ-O 3.02Å; S102-G135 WeakPolarHBondContact O-CA 3.47Å; E107-G135 PolarHBondContact OE2-N 2.78Å
136S92.7Very high86Confident0 Ų078.6 Ų78.60%040%0.396CS..  trans-60.9144.8-170.7-174.80000113.4V68 K98 S102 V103 Y138 A139V68-S136 WeakPolarHBondContact CG2-OG 3.42Å; K98-S136 PolarHBondContact NZ-O 3.08Å; S102-S136 PolarHBondContact OG-N 3.08Å; S102-S136 VanDerWaalsContact OG-N 3.16Å; V103-S136 VanDerWaalsContact C-N 3.34Å; V103-S136 WeakPolarHBondContact O-CA 3.49Å; V103-S136 VanDerWaalsContact O-CB 3.28Å; V103-S136 WeakPolarHBondContact O-CB 3.44Å; V103-S136 PolarHBondContact O-N 2.95Å; V103-S136 VanDerWaalsContact O-N 3.11Å; S136-Y138 PolarHBondContact O-N 3.24Å; S136-Y138 VanDerWaalsContact OG-CD2 3.29Å; S136-Y138 WeakPolarHBondContact OG-CD2 3.07Å; S136-Y138 PolarHBondContact OG-N 2.85Å; S136-A139 PolarHBondContact O-N 2.94Å
137K90.7Very high84.1Confident159 Ų15988.6 Ų88.669%0.69143%0.433SS*.THydrogen-bonded Turntrans-63.8-19.7171.768.5-170.7179.9-169.60113.1
138Y91Very high81.8Confident158 Ų15898.1 Ų98.162%0.6247%0.469SS*.THydrogen-bonded Turntrans-88.4-9.5179-49-65.9000113.5S136S136-Y138 PolarHBondContact O-N 3.24Å; S136-Y138 VanDerWaalsContact OG-CD2 3.29Å; S136-Y138 WeakPolarHBondContact OG-CD2 3.07Å; S136-Y138 PolarHBondContact OG-N 2.85Å
139A90.3Very high80.1Confident6 Ų699.8 Ų99.85%0.0548%0.481CS..SBendtrans-84.6132.9-179.900000112V68 K98 S102 S136V68-A139 HydrophobicContact CG1-CB 4.03Å; V68-A139 HydrophobicContact CG2-CB 4.46Å; K98-A139 HydrophobicContact CD-CB 4.25Å; S102-A139 VanDerWaalsContact OG-CB 3.3Å; S102-A139 WeakPolarHBondContact OG-CB 3.29Å; S136-A139 PolarHBondContact O-N 2.94Å
140A88.5Confident78.1Confident60 Ų60107.2 Ų107.250%0.49649%0.486SS..PPolyproline II helixtrans-69.9132.6-174.300000114Y99Y99-A140 HydrophobicContact CD2-CB 4.32Å; Y99-A140 WeakPolarHBondContact CD2-O 3.47Å; Y99-A140 PolarHBondContact N-O 3.46Å
141D87.5Confident76.1Confident56 Ų56118 Ų11830%0.29952%0.522SS..BIsolated β-bridgetrans-79.6143.2175.1-52.3-59.5000113.7R97 Y99 N143 H144R97-D141 CarbonylContact O-C 3.49Å; R97-D141 VanDerWaalsContact O-CA 3.29Å; R97-D141 WeakPolarHBondContact O-CA 3.45Å; Y99-D141 WeakPolarHBondContact CE2-O 3.47Å; D141-N143 PolarHBondContact O-N 3.37Å; D141-H144 PolarHBondContact O-N 3.46Å; D141-H144 IonicContact OD2-CE1 3.36Å; D141-H144 PolarHBondContact OD2-CE1 2.84Å; D141-H144 IonicContact OD2-ND1 3.3Å
142R82.7Confident74Confident108 Ų108126.1 Ų126.141%0.40854%0.544SS..THydrogen-bonded Turntrans-59.5-27.4174.9-59.8-169.9-166.1-174.53.7114.3P96 R97 K98 Y99P96-R142 VanDerWaalsContact O-CD 3.28Å; P96-R142 WeakPolarHBondContact O-CD 3.49Å; P96-R142 PolarHBondContact O-NE 3Å; R97-R142 WeakPolarHBondContact O-CG 3.29Å; R97-R142 PolarHBondContact O-N 2.69Å; K98-R142 PolarHBondContact O-NE 3.17Å; K98-R142 PolarHBondContact O-NH2 3.06Å; Y99-R142 HydrophobicContact CD1-CG 3.83Å; Y99-R142 HydrophobicContact CD2-CG 4.22Å; Y99-R142 HydrophobicContact CE1-CB 4.33Å; Y99-R142 HydrophobicContact CE1-CG 3.87Å; Y99-R142 VanDerWaalsContact CE2-CA 3.41Å; Y99-R142 HydrophobicContact CE2-CB 4.34Å; Y99-R142 HydrophobicContact CE2-CG 4.3Å; Y99-R142 HydrophobicContact CG-CG 4Å; Y99-R142 PolarHBondContact OH-O 2.96Å
143N73.4Confident72Confident100 Ų100125 Ų12554%0.53555%0.546SS..THydrogen-bonded Turntrans-85.7-13.5-171.8-73.8-11.1000114.4D141 Y145 R146D141-N143 PolarHBondContact O-N 3.37Å; N143-Y145 PolarHBondContact O-N 3.03Å; N143-R146 PolarHBondContact O-N 3.36Å; N143-R146 VanDerWaalsContact O-N 3.08Å
144H60.7Low70.4Confident127 Ų127130.8 Ų130.859%0.58858%0.583SS**G310 helixtrans-58.5-34.5-178.3-88.593.9000113D141 R146D141-H144 PolarHBondContact O-N 3.46Å; D141-H144 IonicContact OD2-CE1 3.36Å; D141-H144 PolarHBondContact OD2-CE1 2.84Å; D141-H144 IonicContact OD2-ND1 3.3Å; H144-R146 PolarHBondContact O-N 2.85Å
145Y54.4Low68.7Low193 Ų193129.2 Ų129.276%0.75759%0.586SS**G310 helixtrans-78.9-11179.5-68.8-71.9000115.4Y99 N143Y99-Y145 HydrophobicContact CE2-CD2 4.23Å; Y99-Y145 HydrophobicContact CE2-CE2 4.31Å; N143-Y145 PolarHBondContact O-N 3.03Å
146R57.8Low66.9Low224 Ų224141.4 Ų141.485%0.84563%0.631SS**G310 helixtrans-97.9-9.2178.2-69.5-167.8179.6-170.12.5114N143 H144N143-R146 PolarHBondContact O-N 3.36Å; N143-R146 VanDerWaalsContact O-N 3.08Å; H144-R146 PolarHBondContact O-N 2.85Å
147R55.7Low64.8Low225 Ų225147 Ų14785%0.84966%0.661SS**  trans-101.99.6-171.7-125.6-175.8-163.5-133.15.6116.4P149R147-P149 VanDerWaalsContact O-CD 3.28Å; R147-P149 WeakPolarHBondContact O-CD 3.28Å
148Y45.4Very low62.6Low200 Ų200149.9 Ų149.978%0.78467%0.669SS**SBendtrans-74.5114.1148.6-78.6-83.7000107.5R150Y148-R150 PolarHBondContact O-N 3.01Å
149P57.8Low60.6Low105 Ų105150.5 Ų150.568%0.68268%0.678SS**  trans-57.8118.9159.7-5.420.5000104.4R147 R151R147-P149 VanDerWaalsContact O-CD 3.28Å; R147-P149 WeakPolarHBondContact O-CD 3.28Å; P149-R151 PolarHBondContact O-N 2.91Å
150R51.7Low58.5Low229 Ų229157.5 Ų157.586%0.86471%0.709SS**  trans-53.4119.9161.7-74.9-160.8-176.5-172.76.5104.6Y148 R152Y148-R150 PolarHBondContact O-N 3.01Å; R150-R152 PolarHBondContact O-N 3.45Å
151R49.4Very low56.2Low241 Ų241161.1 Ų161.191%0.90972%0.72SS**  trans-61.579.3165-69.6-78.9-162.2-142.10.3106.2P149 G153P149-R151 PolarHBondContact O-N 2.91Å; R151-G153 VanDerWaalsContact C-N 3.33Å; R151-G153 PolarHBondContact O-N 2.74Å
152R49.1Very low54Low244 Ų244167.7 Ų167.792%0.92174%0.742SS**  trans-51.2112.7148.5-159.7175.8-166.9172.82.2101.8R150R150-R152 PolarHBondContact O-N 3.45Å
153G52.8Low52.3Low47 Ų47170.5 Ų170.549%0.48576%0.76SS.*  trans-57.3170.3-162.100000112R151R151-G153 VanDerWaalsContact C-N 3.33Å; R151-G153 PolarHBondContact O-N 2.74Å
154P62.3Low50.8Low121 Ų121171.8 Ų171.879%0.78677%0.767SS**SBendtrans-42.6134.1170-25.934.1000109.6R156P154-R156 PolarHBondContact O-N 3.21Å; P154-R156 VanDerWaalsContact O-N 3.15Å
155P56.1Low50.1Low109 Ų109169.9 Ų169.971%0.70877%0.767SS**  trans-53.2128.5-178.822-32.4000108.7N157P155-N157 PolarHBondContact O-N 3.46Å
156R54.5Low49.6Very low257 Ų257169.4 Ų169.497%0.9777%0.772SS**SBendtrans-66.980173.6-102.7-179.4167.5167.5-6107.9P154P154-R156 PolarHBondContact O-N 3.21Å; P154-R156 VanDerWaalsContact O-N 3.15Å
157N49.3Very low48.8Very low118 Ų118162.7 Ų162.763%0.63176%0.76SS**  trans-154.637.7179.7-122.415.3000112P155P155-N157 PolarHBondContact O-N 3.46Å
158Y44.4Very low48Very low220 Ų220155.8 Ų155.886%0.86376%0.758SS**SBendtrans-11211.6172.7-101.3-83.4000112.9
159Q49.2Very low48.2Very low171 Ų171154.6 Ų154.680%0.79976%0.76SS**SBendtrans-126.67-171.9-155.1162.39.600114.1
160Q46.5Very low47.4Very low153 Ų153158.5 Ų158.572%0.71577%0.766SS**SBendtrans-112.67.2177.1-91.9170.4-13.600114
161N40.4Very low47.2Very low135 Ų135155.2 Ų155.272%0.72277%0.766SS**SBendtrans-119.420.2175.3-151.258.5000113.4
162Y41.4Very low46.6Very low194 Ų194152.1 Ų152.176%0.76176%0.762SS**SBendtrans-115.77.6170.9-95.5-81.5000112.2
163Q45.6Very low46.2Very low168 Ų168143.9 Ų143.979%0.78575%0.753SS**SBendtrans-116.313.9176.2-69-173.9-59.300112.4
164N42.4Very low46Very low126 Ų126146.3 Ų146.367%0.67476%0.762SS**SBendtrans-132.928.3-178.9-160.329.5000112.1
165S45.9Very low45Very low87 Ų87148.7 Ų148.761%0.60876%0.763SS**SBendtrans-130.48-179.153.90000113
166E43.3Very low44.4Very low183 Ų183149.1 Ų149.186%0.85577%0.769SS**SBendtrans-128.35.5-173.6-149.1154.7114.400113.5
167S41.6Very low44Very low83 Ų83141.4 Ų141.458%0.5876%0.76SS**  trans-110.450.5168.765.50000110.8E169S167-E169 PolarHBondContact O-N 3.04Å; S167-E169 VanDerWaalsContact O-N 3.13Å
168G39.8Very low43.9Very low80 Ų80141.1 Ų141.183%0.82576%0.764SS**  trans-81.461.2168.300000110.3
169E47.8Very low43.3Very low176 Ų176140 Ų14082%0.82277%0.767SS**  trans-72.2134.9-179-72.3-172.4111.400111.4S167 N171S167-E169 PolarHBondContact O-N 3.04Å; S167-E169 VanDerWaalsContact O-N 3.13Å; E169-N171 PolarHBondContact O-N 2.92Å
170K41.6Very low42.8Very low187 Ų187135.2 Ų135.281%0.81376%0.763SS**  trans-54.4130.8-174.1-58.8164.2-178.1176.80111.1
171N47.2Very low42.6Very low160 Ų160137.4 Ų137.486%0.85677%0.774SS**  trans-130.798.2159.9-131.1-38000107.4E169E169-N171 PolarHBondContact O-N 2.92Å
172E37.8Very low42.4Very low175 Ų175135.4 Ų135.482%0.81878%0.776SS**  trans-103.6133.4175.3-70.1176.8-165.600108.3
173G40.3Very low42.5Very low71 Ų71133.6 Ų133.673%0.73277%0.774SS**  trans98.1138.7-178.200000113.9
174S47.5Very low42.2Very low98 Ų98132.4 Ų132.469%0.68577%0.769SS**  cis-157.2150.8-10.556.40000111.8
175E43Very low42Very low171 Ų171136.3 Ų136.380%0.79977%0.774SS**  trans64137.3148.5-69.9160.7115.700123.4
176S43.8Very low41.8Very low119 Ų119143.3 Ų143.383%0.83279%0.787SS**  trans69.9104.3154.941.10000120.5
177A44.2Very low41.9Very low94 Ų94139.5 Ų139.578%0.77778%0.778SS**  trans-75.1-172.4154.900000110.1
178P48Very low41.4Very low112 Ų112145.8 Ų145.873%0.72779%0.791SS**  cis-144.5159.128.941.8-20.3000119.5
179E32.4Very low41.2Very low197 Ų197153.3 Ų153.392%0.92179%0.794SS**  45108.2128.9-156.2161.2-139.300120.2
180G39Very low40.9Very low70 Ų70156.4 Ų156.472%0.72280%0.798SS**  trans-162.897175.800000115.6
181Q42.3Very low40.7Very low200 Ų200158.9 Ų158.994%0.93580%0.803SS**  trans67.9106.2149.4-56.4-178.621.900119.1
182A35.9Very low40.5Very low92 Ų92162.9 Ų162.976%0.7681%0.806SS**  trans-66.8179.5169.100000114.6
183Q42.5Very low40.6Very low157 Ų157163.3 Ų163.373%0.73481%0.805SS**  trans98.1114.4154.9-60.2-166.225.600119.5
184Q40.3Very low41.4Very low143 Ų143165.2 Ų165.267%0.66881%0.805SS**  trans69133.1148.9-51.4170.65200115.6
185R38.6Very low41.6Very low207 Ų207165.9 Ų165.978%0.78181%0.806SS**  cis-158129.939.9-75.1-177.1165.6-163.6-5.9114.4
186R41.1Very low41.2Very low235 Ų235165.9 Ų165.989%0.88780%0.801SS**  trans65.5148.9136.7-65.6-175.4169.7-166.9-4.3121.7
187P44.5Very low40.9Very low103 Ų103168.9 Ų168.967%0.66980%0.795SS**  trans-110-179.8-173.433.2-15.2000114.4
188Y32.7Very low40.8Very low214 Ų214173.3 Ų173.384%0.83980%0.802SS**  trans71.4116.2174.4-59.1-81.7000117.7
189R34.9Very low40.5Very low239 Ų239178 Ų17890%0.90281%0.805SS**  164.7115.1114.1-84.3-83.1-159.2-152.63.6110.2
190R40.8Very low41Very low240 Ų240179.7 Ų179.791%0.90680%0.803SS**  178115.8119.3-97.3171.8-166-99.93.4110.4R192R190-R192 PolarHBondContact O-N 3.07Å
191R38.4Very low41.6Very low240 Ų240182.2 Ų182.291%0.90681%0.806SS**  trans-65.4111.9161.1-67.4179.9175.7-169.7-1.1107.3
192R43.4Very low41.2Very low243 Ų243182.5 Ų182.592%0.91780%0.801SS**  trans-86.8111.5166.9-112.2-179.8177.7-174.5-0.8107.9R190R190-R192 PolarHBondContact O-N 3.07Å
193F38.5Very low41.6Very low184 Ų184181.6 Ų181.681%0.80780%0.8SS**PPolyproline II helixtrans-60.9136164.4-74.7-96.6000108.3
194P58.5Low41.4Very low112 Ų112185.9 Ų185.973%0.72781%0.809SS**PPolyproline II helixtrans-65.6140.2170.328.9-33000108.7
195P50.1Low41.4Very low111 Ų111189.6 Ų189.672%0.72182%0.817SS**PPolyproline II helixtrans-66.6148.4-176.229.3-35.2000110.8
196Y35.5Very low41.8Very low172 Ų172184.5 Ų184.568%0.67581%0.811SS**SBendtrans-67.2-177.7160.134.9-64.2000108.3
197Y37.9Very low41.5Very low181 Ų181181.4 Ų181.471%0.7181%0.806SS**  trans53.588.9-177.718.1-106.6000118.2
198M41.3Very low41.3Very low187 Ų187186.5 Ų186.592%0.92181%0.814SS**  trans-144.3103138.5-93.9-141-178.800113.8
199R41.9Very low41.5Very low211 Ų211181.7 Ų181.780%0.79681%0.811SS**  trans27.288.8137.1-67.2175.1173-105-0.5119.1
200R42.9Very low42.1Very low232 Ų232177.4 Ų177.488%0.87581%0.806SS**  17.8110.1118.9-161.8176.4-172.5-155.14.1116.2
201P52.4Low42.7Very low123 Ų123171.2 Ų171.280%0.79980%0.797SS**  trans-75.5141.5175.3-9.525.2000112.6G203P201-G203 PolarHBondContact O-N 3.45Å
202Y33.9Very low42.8Very low207 Ų207165.7 Ų165.781%0.81279%0.792SS**  trans-67.3118.3176.3-58.1-95.8000110.9
203G44.4Very low43.2Very low72 Ų72161 Ų16174%0.74279%0.79SS**  trans-113.3105.8175.500000110.8P201 R205P201-G203 PolarHBondContact O-N 3.45Å; G203-R205 PolarHBondContact O-N 3.28Å
204R37.1Very low43.2Very low247 Ų247161.1 Ų161.193%0.93279%0.793SS**  trans-48.6133.3176.8-71.6-92.5-160.4-143.72.8111.4
205R41Very low42.4Very low222 Ų222159.1 Ų159.184%0.83879%0.793SS**  trans-107.1111.5166.9-172.3-176.9-173.6-154.11.6107.7G203 Q207G203-R205 PolarHBondContact O-N 3.28Å; R205-Q207 PolarHBondContact O-N 3.03Å
206P46.9Very low42Very low99 Ų99162.7 Ų162.764%0.64380%0.8SS**  trans-63.8130.3169.9-19.832.9000109.5Y208P206-Y208 HydrophobicContact CB-CD2 4.42Å
207Q34.8Very low42.6Very low170 Ų170160.5 Ų160.579%0.79480%0.804SS**  trans-73.4122.3166.5-63.8-74.52500107.4R205R205-Q207 PolarHBondContact O-N 3.03Å
208Y40.8Very low42.9Very low211 Ų211159 Ų15983%0.82781%0.806SS**  trans-117.1109.4161.4-95.6-84.9000107.5P206P206-Y208 HydrophobicContact CB-CD2 4.42Å
209S35.9Very low42.7Very low112 Ų112158.1 Ų158.178%0.78380%0.799SS**  trans-67.8130172.946.90000110.6
210N48.7Very low42.7Very low150 Ų150151.5 Ų151.580%0.80280%0.796SS**  trans-120.8140.2159.2-75.6-18.8000107.9
211P52.5Low42.6Very low109 Ų109144.4 Ų144.471%0.70879%0.788SS**PPolyproline II helixtrans-78.9161.3-173.733.3-36.4000112.6
212P40.3Very low42.3Very low124 Ų124145.2 Ų145.281%0.80579%0.785SS**PPolyproline II helixtrans-76.6134.1171.432.2-32.7000110.9
213V52.1Low43.3Very low145 Ų145143.1 Ų143.188%0.87979%0.788SS**PPolyproline II helixtrans-98.9141.2162.51750000107.9
214Q38Very low42.9Very low187 Ų187149.4 Ų149.487%0.87480%0.798SS**PPolyproline II helixtrans-87.3151.3-163.2-63.3156-46.500113.4
215G42.5Very low42.9Very low69 Ų69141.2 Ų141.271%0.71179%0.791SS**  trans72.2155.1158.600000117.1
216E41.8Very low42.8Very low186 Ų186135.8 Ų135.887%0.86979%0.793SS**  cis-150.2173.9-15.9-56.2-167.6153.800106.5
217V46.9Very low42.2Very low127 Ų127134.6 Ų134.677%0.7780%0.799SS**  cis-139167.78.3-161.70000108.9
218M46.1Very low42.7Very low150 Ų150135.6 Ų135.674%0.73980%0.804SS**  trans-60167.1156.7-113.2150.4127.900111.7
219E37.1Very low42.4Very low168 Ų168135 Ų13579%0.78581%0.809SS**  cis-160.7167-4.5-152.5162.6-160.200107.5
220G41.8Very low42.4Very low71 Ų71133.3 Ų133.373%0.73281%0.809SS**  trans160.871.7175.300000115
221A39.5Very low42.1Very low84 Ų84137.5 Ų137.569%0.69481%0.813SS**  trans-66.1160.3156.300000108.6
222D46.8Very low41.8Very low139 Ų139138.5 Ų138.574%0.74382%0.82SS**  -160.616556.8-67.7-51.6000112.9
223N53.9Low42.1Very low164 Ų164139 Ų13988%0.87782%0.82SS**  trans123.1130.7148.8-67.5-70.8000117
224Q37.1Very low41.6Very low203 Ų203143.2 Ų143.295%0.94982%0.82SS**  trans-100.8147.4-170.4-56.8163.89.100109.3
225G37.4Very low42.1Very low76 Ų76143.2 Ų143.278%0.78482%0.82SS**  trans-178.7134.7173.400000112.5
226A37.4Very low42Very low107 Ų107147.1 Ų147.188%0.88483%0.825SS**  trans-31143.118000000116.1
227G34.7Very low41.8Very low75 Ų75145.3 Ų145.377%0.77382%0.818SS**  cis108.85225.200000112
228E46.1Very low41.4Very low191 Ų191150 Ų15089%0.89382%0.824SS**  trans-151.3164164.2-125.3-178.5168.900113.7
229Q33.4Very low41.1Very low198 Ų198153 Ų15393%0.92583%0.827SS**  trans-100.6105.2-152.9-57.1172.322.700112.9
230G37Very low41.3Very low76 Ų76148.4 Ų148.478%0.78482%0.824SS**  trans-137.162.8-168.200000117.6
231R42.6Very low41.1Very low238 Ų238155.7 Ų155.790%0.89883%0.831SS**  trans4.9114.9164.1-61.6178.5178.2-170.40.8118.7
232P46.4Very low41.7Very low131 Ų131162.6 Ų162.685%0.85184%0.839SS**  trans-72.1142.916929.2-33.6000113.2
233V45.3Very low41.8Very low134 Ų134162 Ų16281%0.81284%0.843SS**  trans-66.6138.1-173174.30000112.6Q235V233-Q235 PolarHBondContact O-N 3.11Å
234R42.3Very low41.3Very low233 Ų233163.8 Ų163.888%0.87984%0.837SS**  trans-69.6110.4175-73.3-171.9175.2-159.10.1111.4N236R234-N236 PolarHBondContact O-N 3.32Å
235Q48.6Very low41.6Very low188 Ų188163 Ų16388%0.87983%0.831SS**  trans-65.6129.4164.8-68.3179.2-1.500110.4V233 M237V233-Q235 PolarHBondContact O-N 3.11Å; Q235-M237 PolarHBondContact O-N 2.98Å
236N40.3Very low41.8Very low150 Ų150172.1 Ų172.180%0.80284%0.842SS**  trans-70.9116.8-174.5-86.4-32.7000111.9R234 Y238R234-N236 PolarHBondContact O-N 3.32Å; N236-Y238 PolarHBondContact O-N 2.91Å
237M37.2Very low42.2Very low149 Ų149177.9 Ų177.973%0.73484%0.841SS**  trans-63.3100.2168.2-90.2-165.1166.100111.4Q235 R239Q235-M237 PolarHBondContact O-N 2.98Å; M237-R239 HydrophobicContact CB-CB 4.15Å; M237-R239 PolarHBondContact O-N 3.34Å; M237-R239 HydrophobicContact SD-CB 4.39Å
238Y38.4Very low43.1Very low225 Ų225177.2 Ų177.288%0.88283%0.834SS**  trans-70.356.3159.6-101.5-88.7000111.3N236 G240N236-Y238 PolarHBondContact O-N 2.91Å; Y238-G240 PolarHBondContact O-N 2.94Å
239R41Very low43.8Very low214 Ų214173.9 Ų173.981%0.80883%0.829SS**  trans-9960.3-176.3-145.8175.2-153-154.25.8111M237M237-R239 HydrophobicContact CB-CB 4.15Å; M237-R239 PolarHBondContact O-N 3.34Å; M237-R239 HydrophobicContact SD-CB 4.39Å
240G39.5Very low44.9Very low70 Ų70170.4 Ų170.472%0.72282%0.823SS**  trans-130.1-24.1-171.800000116.6Y238 R242Y238-G240 PolarHBondContact O-N 2.94Å; G240-R242 PolarHBondContact O-N 3.45Å; G240-R242 VanDerWaalsContact O-N 3.11Å
241Y38.6Very low45.7Very low225 Ų225178 Ų17888%0.88283%0.828SS**  trans-78.598.5-179.2-98.6-92.3000111.7
242R52.4Low46Very low228 Ų228175.8 Ų175.886%0.8683%0.828SS**  trans-104.5111.4157.9-102.2-172173.3-165.2-1.8108G240 R244G240-R242 PolarHBondContact O-N 3.45Å; G240-R242 VanDerWaalsContact O-N 3.11Å; R242-R244 PolarHBondContact O-N 3.08Å
243P47.7Very low46.1Very low126 Ų126180.9 Ų180.982%0.81883%0.83SS**  trans-59.3112.3170.8-21.332.9000109.5
244R44.8Very low46.3Very low203 Ų203183.2 Ų183.277%0.76683%0.832SS**  trans-83.8160.6156.1-73.1-176.2173.1-179.3-3.5107.5R242R242-R244 PolarHBondContact O-N 3.08Å
245F41.8Very low46.8Very low187 Ų187178.1 Ų178.182%0.8283%0.829SS**  trans76.883.3-175.5-41.4-65.8000114.7R247F245-R247 HydrophobicContact CB-CB 4.45Å; F245-R247 PolarHBondContact O-N 3.21Å
246R41.8Very low46.7Very low267 Ų267180.8 Ų180.8100%1.00883%0.832SS**  -63.684.6129.9-79-169.7-176.2-172.71.4107
247R47.4Very low47.2Very low228 Ų228182.5 Ų182.586%0.8684%0.835SS**PPolyproline II helixtrans-93.3134.6153.3-128.6175-176.7176.4-0.6104.8F245F245-R247 HydrophobicContact CB-CB 4.45Å; F245-R247 PolarHBondContact O-N 3.21Å
248G52.9Low47.6Very low61 Ų61183.7 Ų183.763%0.62984%0.844SS**PPolyproline II helixtrans-58.8166.3-179.100000112.2
249P60.8Low47.8Very low121 Ų121176.5 Ų176.579%0.78684%0.838SS**PPolyproline II helixtrans-52.5143.8-179.523.1-33.9000110.9R251P249-R251 PolarHBondContact O-N 2.83Å; P249-R251 VanDerWaalsContact O-N 3.13Å
250P55.9Low48Very low124 Ų124173.5 Ų173.581%0.80584%0.838SS**PPolyproline II helixtrans-61120179.825.9-33.1000109.2Q252P250-Q252 PolarHBondContact O-N 3.28Å
251R53.3Low48.5Very low237 Ų237179.1 Ų179.189%0.89485%0.846SS**PPolyproline II helixtrans-60.1125.3164.4-90.2-176.7168.5146.7-3.6107.4P249 R253P249-R251 PolarHBondContact O-N 2.83Å; P249-R251 VanDerWaalsContact O-N 3.13Å; R251-R253 PolarHBondContact O-N 3.46Å; R251-R253 VanDerWaalsContact O-N 3.11Å
252Q50.4Low49Very low191 Ų191176.5 Ų176.589%0.89384%0.841SS**PPolyproline II helixtrans-54.2117.3169.2-62.9173.36.700107.7P250P250-Q252 PolarHBondContact O-N 3.28Å
253R47.3Very low49Very low238 Ų238172.8 Ų172.890%0.89884%0.839SS**PPolyproline II helixtrans-88.4122.4161.9-79.4-175.5168-166.9-6.2105.8R251R251-R253 PolarHBondContact O-N 3.46Å; R251-R253 VanDerWaalsContact O-N 3.11Å
254Q50.5Low49.3Very low183 Ų183176.8 Ų176.886%0.85584%0.843SS**PPolyproline II helixtrans-57.8144.6168.5-70169-27.900108.8R256Q254-R256 PolarHBondContact O-N 3.19Å
255P52Low49.4Very low126 Ų126175.6 Ų175.682%0.81885%0.846SS**PPolyproline II helixtrans-55134.6164.7-18.331.5000108.3
256R46.1Very low49.6Very low244 Ų244173.6 Ų173.692%0.92184%0.844SS**PPolyproline II helixtrans-95.6124.9166.6-146.2178.6-164.9177.41.5105.9Q254Q254-R256 PolarHBondContact O-N 3.19Å
257E51.7Low49.8Very low186 Ų186170.2 Ų170.287%0.86984%0.84SS**PPolyproline II helixtrans-60.9148.4-172.6-66.8153157.200111.4G259E257-G259 PolarHBondContact O-N 3.01Å
258D44.7Very low49.5Very low174 Ų174163.1 Ų163.193%0.9384%0.837SS**PPolyproline II helixtrans-63.9130.1175.9-65.8-66.2000110.4
259G43.5Very low49Very low73 Ų73167.5 Ų167.575%0.75385%0.846SS**  trans-130.6110.1173.100000109.3E257E257-G259 PolarHBondContact O-N 3.01Å
260N43.9Very low48.2Very low151 Ų151170.5 Ų170.581%0.80785%0.85SS**  trans-65.4140.2167.2-69.4-32.8000109.8
261E51.1Low47.8Very low189 Ų189171.3 Ų171.388%0.88385%0.852SS**  trans178.796.9149.2-100.8158.3166.400105.2
262E50Low47.3Very low169 Ų169169 Ų16979%0.7985%0.852SS**  59.210175-64.1-166.817300113.1
263D50.4Low46.8Very low151 Ų151163.2 Ų163.281%0.80784%0.843SS**  trans29111.2141.3-54-28.8000118.8
264K54.9Low46.6Very low210 Ų210161.2 Ų161.291%0.91384%0.844SS**  trans-149.6128.7140.5-111.9142.1-164.8161.40113.5
265E47.3Very low46Very low178 Ų178160.6 Ų160.683%0.83284%0.841SS**  trans-78.6169.6179.9-57.4170.911600111.9
266N46.6Very low46.1Very low144 Ų144159.8 Ų159.877%0.7784%0.836SS**  trans7.3111.3153.6-71.9-32.1000118.4
267Q45.9Very low46.2Very low197 Ų197154 Ų15492%0.92183%0.83SS**  -158140.6116.2-107.1146.292.600109.8
268G40Very low45.8Very low78 Ų78152.7 Ų152.780%0.80482%0.824SS**  trans-92.9154.7169.800000110.1
269D43.2Very low45.8Very low154 Ų154154.3 Ų154.382%0.82482%0.817SS**  trans-147.9155.1143.1-154.6-4.4000109.6
270E43.9Very low45.5Very low183 Ų183161.9 Ų161.986%0.85582%0.823SS**  trans-80.5127.1-180-61.4-177.3103.800109.9
271T46.6Very low45.2Very low141 Ų141163.6 Ų163.687%0.86582%0.819SS**  trans-141129.2161.9-39.90000111.4
272Q44.4Very low45Very low190 Ų190165.8 Ų165.889%0.88882%0.819SS**  trans-76.5150.7-169.5-59.9173.31.100112
273G38.4Very low44.7Very low68 Ų68167 Ų16770%0.70182%0.816SS**  trans80.974.8149.400000117.7
274Q43Very low44.1Very low197 Ų197166.6 Ų166.692%0.92181%0.814SS**  trans-159133.5133.9-110.7158.5100.600111.4
275Q38.9Very low43.3Very low169 Ų169163.1 Ų163.179%0.7980%0.8SS**PPolyproline II helixtrans-71128.6-173.9-63.9-174.16.700111.2
276P53.7Low43.2Very low109 Ų109161.9 Ų161.971%0.70880%0.799SS**PPolyproline II helixtrans-65.6139.9169.127.8-33.3000109.6Q278P276-Q278 PolarHBondContact O-N 3.08Å; P276-Q278 VanDerWaalsContact O-N 3.12Å
277P47.8Very low42.8Very low122 Ų122164.7 Ų164.779%0.79280%0.8SS**PPolyproline II helixtrans-60.4121-174.222.3-33000111R279P277-R279 PolarHBondContact O-N 2.66Å
278Q44.6Very low42.6Very low159 Ų159166.3 Ų166.374%0.74380%0.798SS**  trans-51.790.6-178.3-74.1-80.2-12.700112P276 R280P276-Q278 PolarHBondContact O-N 3.08Å; P276-Q278 VanDerWaalsContact O-N 3.12Å; Q278-R280 VanDerWaalsContact C-N 3.31Å; Q278-R280 PolarHBondContact O-N 3.07Å
279R44.2Very low42.8Very low208 Ų208174.2 Ų174.279%0.78580%0.803SS**  trans-64.894.4168.7-76.1-169.8175.6-155.91.5107.8P277 Y281P277-R279 PolarHBondContact O-N 2.66Å; R279-Y281 HydrophobicContact CB-CE2 4.43Å; R279-Y281 WeakPolarHBondContact O-CD2 3.28Å; R279-Y281 PolarHBondContact O-N 2.94Å
280R37Very low42.8Very low233 Ų233179 Ų17988%0.87981%0.81SS**  trans-61.182.8176.6-70.3-173.2178-161.30.5110.8Q278 R282Q278-R280 VanDerWaalsContact C-N 3.31Å; Q278-R280 PolarHBondContact O-N 3.07Å; R280-R282 PolarHBondContact O-N 3.39Å
281Y37Very low42.7Very low187 Ų187181 Ų18173%0.73381%0.809SS**  trans-59.2102162.3-80.5-87.5000107.7R279 R283R279-Y281 HydrophobicContact CB-CE2 4.43Å; R279-Y281 WeakPolarHBondContact O-CD2 3.28Å; R279-Y281 PolarHBondContact O-N 2.94Å; Y281-R283 PolarHBondContact O-N 3.44Å
282R46.5Very low43Very low234 Ų234179.5 Ų179.588%0.88380%0.802SS**  trans-6781.5166.4-71.2-170.9178.2-157.30.6108.4R280 N284R280-R282 PolarHBondContact O-N 3.39Å; R282-N284 PolarHBondContact O-N 3.48Å
283R44.1Very low43.2Very low194 Ų194179.3 Ų179.373%0.73280%0.801SS**  trans-63.8103.7168-76.1-179.1174.7146.5-1.4107.6Y281 F285Y281-R283 PolarHBondContact O-N 3.44Å; R283-F285 HydrophobicContact CB-CD2 3.81Å; R283-F285 HydrophobicContact CB-CE2 3.66Å; R283-F285 HydrophobicContact CB-CZ 4.34Å; R283-F285 HydrophobicContact CG-CE2 4.27Å; R283-F285 PolarHBondContact O-N 3.15Å
284N37.7Very low43.6Very low143 Ų143183.1 Ų183.177%0.76581%0.806SS**  trans-70.777171.2-80.8-8.2000109.6R282 N286R282-N284 PolarHBondContact O-N 3.48Å; N284-N286 VanDerWaalsContact C-N 3.31Å; N284-N286 PolarHBondContact O-N 3.4Å
285F38.4Very low44.5Very low138 Ų138178.8 Ų178.861%0.60580%0.795SS**  trans-72.187.4170-77.2-62.2000110.3R283 Y287R283-F285 HydrophobicContact CB-CD2 3.81Å; R283-F285 HydrophobicContact CB-CE2 3.66Å; R283-F285 HydrophobicContact CB-CZ 4.34Å; R283-F285 HydrophobicContact CG-CE2 4.27Å; R283-F285 PolarHBondContact O-N 3.15Å; F285-Y287 HydrophobicContact CB-CD2 4.17Å; F285-Y287 AromaticContact CD1-CD2 3.73Å; F285-Y287 HydrophobicContact CD1-CD2 3.73Å; F285-Y287 AromaticContact CD1-CE2 3.58Å; F285-Y287 HydrophobicContact CD1-CE2 3.58Å; F285-Y287 HydrophobicContact CE1-CE2 4.06Å; F285-Y287 HydrophobicContact CG-CD2 4.34Å; F285-Y287 PolarHBondContact O-N 3.21Å
286N45Very low45.5Very low152 Ų152180 Ų18081%0.81380%0.797SS**  trans-74.549.9168.8-83.8-30.3000112N284 R288N284-N286 VanDerWaalsContact C-N 3.31Å; N284-N286 PolarHBondContact O-N 3.4Å; N286-R288 VanDerWaalsContact C-N 3.31Å; N286-R288 PolarHBondContact O-N 2.75Å
287Y39Very low45.4Very low203 Ų203179.9 Ų179.980%0.79680%0.797SS**  trans-92.363.1166.4-68-65.1000110.1F285F285-Y287 HydrophobicContact CB-CD2 4.17Å; F285-Y287 AromaticContact CD1-CD2 3.73Å; F285-Y287 HydrophobicContact CD1-CD2 3.73Å; F285-Y287 AromaticContact CD1-CE2 3.58Å; F285-Y287 HydrophobicContact CD1-CE2 3.58Å; F285-Y287 HydrophobicContact CE1-CE2 4.06Å; F285-Y287 HydrophobicContact CG-CD2 4.34Å; F285-Y287 PolarHBondContact O-N 3.21Å
288R41.7Very low45.7Very low231 Ų231183.4 Ų183.487%0.87280%0.803SS**  trans-135.968.8172.2-74.4-167.2-175.5-1762.4111.8N286N286-R288 VanDerWaalsContact C-N 3.31Å; N286-R288 PolarHBondContact O-N 2.75Å
289R43.5Very low45.9Very low244 Ų244183.4 Ų183.492%0.92181%0.808SS**  trans-167.36.1154.9-118.1173-127.7-99.1-2.3118.5R291R289-R291 VanDerWaalsContact C-N 3.34Å; R289-R291 PolarHBondContact O-N 3.13Å; R289-R291 VanDerWaalsContact O-N 3.08Å
290R43.2Very low46.2Very low253 Ų253176.9 Ų176.996%0.95581%0.806SS**  trans-76.393.8159.9-72.3-166.6179.9-142.81.3108
291R42.6Very low46.9Very low225 Ų225175.1 Ų175.185%0.84980%0.804SS**PPolyproline II helixtrans-72.1120165.8177.2-177.5-171.8-174.93.8106.4R289R289-R291 VanDerWaalsContact C-N 3.34Å; R289-R291 PolarHBondContact O-N 3.13Å; R289-R291 VanDerWaalsContact O-N 3.08Å
292P52Low47.4Very low111 Ų111174.4 Ų174.472%0.72181%0.807SS**PPolyproline II helixtrans-64.3134.4163.5-10.926.4000107.7N294P292-N294 PolarHBondContact O-N 3.49Å
293E49.1Very low47.7Very low185 Ų185169.7 Ų169.786%0.86481%0.805SS**PPolyproline II helixtrans-71.4122.2165.6-67-170.1142.300107.7
294N46.9Very low48.1Very low148 Ų148169.8 Ų169.879%0.79181%0.811SS**PPolyproline II helixtrans-85.7119.5176.8-160.954.4000107.3P292P292-N294 PolarHBondContact O-N 3.49Å
295P62.7Low48.7Very low107 Ų107167.6 Ų167.670%0.69581%0.812SS**PPolyproline II helixtrans-62.5142.317327.2-32.6000109.2
296K58.7Low49.3Very low193 Ų193165.4 Ų165.484%0.83982%0.82SS**PPolyproline II helixtrans-71.6140.6174-70178177.9176.60109.3
297P52.5Low49.7Very low107 Ų107165.6 Ų165.670%0.69582%0.821SS**PPolyproline II helixtrans-67.8137.8163.830.1-32.4000109.6
298Q52.5Low50.8Low197 Ų197161.3 Ų161.392%0.92182%0.818SS**  trans-107.2101.1162.3-77.4-173.4-89.300108
299D49.7Very low51.4Low158 Ų158155.9 Ų155.985%0.84581%0.812SS**  trans-85.6135.1165.5-65.6-60.6000109.7
300G51.1Low51.9Low72 Ų72148.2 Ų148.274%0.74280%0.801SS**  trans135.3105.515600000118.2
301K51.4Low52.4Low195 Ų195144 Ų14485%0.84879%0.792SS**  trans65.892148.8-74.6-179.9168.9178.70119.9
302E46.9Very low53Low172 Ų172139.3 Ų139.380%0.80478%0.784SS**  19.7124.5110.3-55.6174.6152.900118
303T52.3Low53.2Low136 Ų136139.2 Ų139.283%0.83479%0.786SS**  -177.2130.199.824.80000114.5
304K52.4Low53.5Low196 Ų196136.1 Ų136.185%0.85279%0.785SS**  trans77.6116.3133.7-163.4173.4-175.7179.90122
305A50.8Low54.1Low96 Ų96133.4 Ų133.479%0.79378%0.783SS**  trans68.9146.114700000118.7
306A50.4Low54.2Low92 Ų92133.1 Ų133.176%0.7678%0.781SS**  cis-153-177.1-8.100000110.4
307D54.7Low54.3Low156 Ų156132.7 Ų132.783%0.83478%0.782SS**  trans-70.6165.1-159.4-64.3-81.3000119.6
308P61Low54.2Low113 Ų113131.4 Ų131.473%0.73478%0.781SS**  trans-99.3-151.5176.845.7-38.6000110.2
309P55.5Low54.5Low117 Ų117130 Ų13076%0.7677%0.774SS**  cis-137-163.2-9.540.1-19.2000114.9
310A52.7Low54.8Low84 Ų84130.5 Ų130.569%0.69477%0.771SS**  trans96.9117.3147.400000121.2
311E53.6Low55.2Low164 Ų164130.8 Ų130.877%0.76678%0.775SS**  78137.2128-80.4-167.9-158.100124.6
312N56.3Low55.5Low127 Ų127125.3 Ų125.368%0.67977%0.774SS**  trans65.3113.4151.8-53.4-30.1000119.4
313S56.5Low56.2Low109 Ų109122.1 Ų122.176%0.76278%0.776SS**  162.5142.9102.2-69.10000114.6
314S55.5Low56.5Low119 Ų119128.6 Ų128.683%0.83280%0.797SS**  trans72.7119.5147.3-57.80000122.3
315A57.9Low56.7Low91 Ų91125.2 Ų125.275%0.75279%0.794SS**  trans-71.9-174.6150.500000110.7
316P65.2Low57Low102 Ų102126.7 Ų126.766%0.66280%0.795SS**  -155.2-169.465.245.1-23.9000116.4
317E60.5Low57.3Low183 Ų183128.7 Ų128.786%0.85580%0.796SS**  trans61.5152.7155.2-72.1174.699.100120.5
318A50.4Low57.5Low81 Ų81127.1 Ų127.167%0.66979%0.794SS**  cis-174.3139.9-28.700000107.6
319E60.7Low57.3Low166 Ų166127.9 Ų127.978%0.77680%0.798SS**  trans-157.3127.5157.2-92.1-141.5120.800113.8
320Q55.1Low57.4Low169 Ų169128.7 Ų128.779%0.7980%0.801SS**  trans56.9129.4142.7-53.2-169.719.300122.3
321G59.4Low57.7Low79 Ų79131.9 Ų131.981%0.81481%0.808SS**  140.568.4128.200000121.7
322G57.9Low58.1Low80 Ų80129.4 Ų129.483%0.82581%0.811SS**  73.4145.112900000123.5
323A62.4Low58.2Low104 Ų104129.6 Ų129.686%0.8682%0.822SS**  trans65115.9167.200000115.9
324E57Low58.4Low272 Ų272131.5 Ų131.5100%1.27183%0.828SS**  cis-139.1048.1-85.1-179.312000114.4

Retrieved 324 of 324 residues in 210.5 ms (Link to these results)