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Large ribosomal subunit protein bL9m

AlphaFold DB , UniProt , Accession Q99N94, Species MOUSE (Mus musculus, Mouse), Gene Mrpl9, Length 265 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M48.7Very low43.5Very low251 Ų251133.9 Ų133.9100%1.23684%0.844SS**  0124.60-71.3-142.5-159.600108.3
2A32.9Very low43.3Very low105 Ų105135.5 Ų135.587%0.86884%0.84SS**  trans-80.3154-171.100000112.7
3A41.3Very low42.6Very low103 Ų103141.2 Ų141.285%0.85184%0.837SS**  174115.912300000111.3
4S37.2Very low42.4Very low113 Ų113146.9 Ų146.979%0.7984%0.837SS**  trans-92.2139.9163.950.50000110
5V44.5Very low42.1Very low145 Ų145143.3 Ų143.388%0.87983%0.833SS**  trans-152.8111.3154.9-172.10000110.7
6A44.6Very low42Very low85 Ų85139.6 Ų139.670%0.70284%0.835SS**  trans-100.2-179.5140.200000106.5
7P50.8Low41.8Very low130 Ų130137.2 Ų137.284%0.84483%0.834SS**  cis-137.8-169.84.435.7-12.5000113.2
8G55.3Low41.5Very low81 Ų81134.6 Ų134.684%0.83583%0.828SS**  trans-171.1103.4169.700000113.9
9V40.2Very low41.5Very low133 Ų133140.4 Ų140.481%0.80683%0.834SS**  trans-109.3139.8175.5174.90000108.6
10R42Very low41.2Very low226 Ų226141.3 Ų141.385%0.85383%0.834SS**  trans164.1111.7140-97.9178165.4-173.2-4.8111.6
11T40.6Very low41.3Very low101 Ų101144.5 Ų144.562%0.6283%0.831SS**  77.9128.289.657.20000116.3
12L41.5Very low41Very low153 Ų153140.9 Ų140.980%0.80181%0.812SS**  trans152.1102.9138.3-85.6148.9000108.4
13W33.7Very low41.6Very low209 Ų209139.8 Ų139.879%0.79281%0.81SS**  82.5146.976.1-84.160.6000115.4
14W39.8Very low41.4Very low221 Ų221138.3 Ų138.384%0.83781%0.805SS**  trans90.4102.3174.8-6089.5000115.4
15A39.2Very low41.7Very low94 Ų94141.3 Ų141.378%0.77781%0.81SS**  97.8123.257.500000111.4
16G39.7Very low41.5Very low84 Ų84145 Ų14587%0.86681%0.808SS**  trans173.786.8175.800000110.7
17A38.2Very low41.2Very low99 Ų99149.3 Ų149.382%0.81881%0.814SS**  trans-89.6154-174.600000113
18A37.3Very low40.4Very low89 Ų89150.2 Ų150.274%0.73681%0.811SS**  trans72.2124.7150.100000118.4
19W40.5Very low39.4Very low245 Ų245156.2 Ų156.293%0.92882%0.815SS**  -153.8129.1113.8-115.260.2000110.3
20L37Very low39.4Very low159 Ų159161.5 Ų161.583%0.83282%0.82SS**  trans-87.9137-176.8-145.895.7000108.8
21R42.3Very low39.1Very low208 Ų208156.2 Ų156.279%0.78582%0.815SS**  trans-168.7108.6143.6-110177.8-175.1-1301.5114
22Q43.6Very low38.5Very low176 Ų176162.1 Ų162.182%0.82283%0.826SS**  trans57.9125.8131.9-71.4-177.7-15.700122.7
23G44.5Very low38.5Very low81 Ų81162.8 Ų162.884%0.83583%0.829SS**  trans121.898.8161.900000111.1
24G36.9Very low38.3Very low72 Ų72161 Ų16174%0.74283%0.829SS**  cis100.787.433.100000109.4
25I44.1Very low37.9Very low176 Ų176154.2 Ų154.290%0.90383%0.827SS**  trans-166115.5146.3-90.5145.8000109
26R39.1Very low37.6Very low223 Ų223155.3 Ų155.384%0.84283%0.829SS**  trans-63.6153.2163.3-78.9176.2166.2-174.7-4.2109.8
27E39.9Very low37.6Very low175 Ų175157.2 Ų157.282%0.81882%0.824SS**  cis-151.1144.427.8-77.3-158157.600111.9
28L34.2Very low37.4Very low150 Ų150159 Ų15979%0.78583%0.828SS**  trans-77.9149159-69.3156.2000109
29F32.2Very low37.4Very low207 Ų207157.9 Ų157.991%0.90882%0.824SS**  trans13994.4150.1-82.8-75.2000111.7
30R40.6Very low37.3Very low243 Ų243156.8 Ų156.892%0.91782%0.82SS**  trans-132.3137.1140.6-83.8-164.4-178.2-163.81109.2
31P35.6Very low37.1Very low115 Ų115156.2 Ų156.275%0.74782%0.818SS**  trans-77.2146.7-166.632.3-33.7000111.4I33P31-I33 PolarHBondContact O-N 3.04Å
32R29.5Very low37Very low225 Ų225155 Ų15585%0.84982%0.819SS**  trans-56.8117.3164.7-119.9174.7-176.9179.80.9108.2E34R32-E34 PolarHBondContact O-N 3.38Å
33I40.7Very low36.7Very low168 Ų168150.5 Ų150.586%0.86281%0.806SS**  trans-77.899.7164.4-67.6170.2000106.2P31P31-I33 PolarHBondContact O-N 3.04Å
34E29.4Very low36.8Very low172 Ų172153 Ų15380%0.80480%0.8SS**  trans-75.6124.4165.8-74.4177.8168.200108.8R32R32-E34 PolarHBondContact O-N 3.38Å
35G32.5Very low37Very low77 Ų77153.5 Ų153.579%0.79479%0.792SS**  trans15143.3179.400000114.1
36S32.1Very low37.2Very low117 Ų117152.3 Ų152.382%0.81878%0.782SS**  trans-110101172.2-1780000109.1
37T39Very low37.8Very low124 Ų124150.7 Ų150.776%0.76178%0.778SS**  trans-53.8131.6166.143.90000110.6G39T37-G39 VanDerWaalsContact C-N 3.32Å; T37-G39 PolarHBondContact O-N 2.93Å
38P35Very low38.7Very low138 Ų138149.9 Ų149.990%0.89677%0.774SS**  trans-80.983.9174.933.1-29.8000108.1
39G35.9Very low40.8Very low64 Ų64145.5 Ų145.566%0.6676%0.756SS**  trans-125.183.7-173.600000111.8T37T37-G39 VanDerWaalsContact C-N 3.32Å; T37-G39 PolarHBondContact O-N 2.93Å
40R39.1Very low43.5Very low222 Ų222139.3 Ų139.384%0.83874%0.735SS**  trans55.794.5165.6-71.5176.4172.7175.5-2.7115.5F42R40-F42 VanDerWaalsContact C-N 3.31Å; R40-F42 PolarHBondContact O-N 2.91Å
41D32Very low46Very low147 Ų147131.2 Ų131.279%0.78671%0.712SS**  trans-53.593.7155.5-61.6-50.1000109.9S43D41-S43 PolarHBondContact O-N 3.12Å
42F40.6Very low48.9Very low184 Ų184128.9 Ų128.981%0.80769%0.693SS**  trans-65.485.7154.1-78.1-83.9000106.3R40 L44R40-F42 VanDerWaalsContact C-N 3.31Å; R40-F42 PolarHBondContact O-N 2.91Å; F42-L44 PolarHBondContact O-N 3.39Å
43S38Very low52Low80 Ų80121.5 Ų121.556%0.55967%0.673SS**  trans18.289.7168.661.70000114.7D41 S45D41-S43 PolarHBondContact O-N 3.12Å; S43-S45 PolarHBondContact O-N 2.9Å
44L45.5Very low54.7Low133 Ų133119.2 Ų119.270%0.69666%0.658SS**SBendtrans-61.6-1.7160.1-72.2168.4000112.3F42 H46F42-L44 PolarHBondContact O-N 3.39Å; L44-H46 PolarHBondContact O-N 3.49Å
45S42.7Very low58Low83 Ų83116.1 Ų116.158%0.5864%0.639SS**  trans-87.285.8166.549.20000111.2S43S43-S45 PolarHBondContact O-N 2.9Å
46H47.5Very low61Low151 Ų151119.8 Ų119.870%0.69963%0.629SS**  trans144.972.1146.5-76.592.6000109.3L44 Q48L44-H46 PolarHBondContact O-N 3.49Å; H46-Q48 HydrophobicContact CB-CG 3.9Å; H46-Q48 PolarHBondContact O-N 2.94Å
47Y52Low64.1Low190 Ų190120.2 Ų120.275%0.74561%0.613SS**  trans-56.498.9132.2-57.5-82.8000104.2S49Y47-S49 PolarHBondContact O-N 3.47Å
48Q59.5Low66.7Low158 Ų158124 Ų12474%0.73862%0.619SS**  trans-67.878.3173.5-68.5-174.6-3.200106.6H46 T50H46-Q48 HydrophobicContact CB-CG 3.9Å; H46-Q48 PolarHBondContact O-N 2.94Å; Q48-T50 PolarHBondContact O-N 3.32Å; Q48-T50 VanDerWaalsContact O-N 3.08Å
49S76.7Confident69.6Low58 Ų58119.4 Ų119.441%0.40659%0.588SS.*  trans-68.5101.5165.452.60000105.8Y47 V51Y47-S49 PolarHBondContact O-N 3.47Å; S49-V51 PolarHBondContact O-N 2.93Å
50T89.4Confident72.4Confident77 Ų77119.9 Ų119.947%0.47258%0.58SS.*  trans-77.8116.8169.8-51.20000107.8Q48 I52 T83Q48-T50 PolarHBondContact O-N 3.32Å; Q48-T50 VanDerWaalsContact O-N 3.08Å; T50-I52 HydrophobicContact CG2-CG1 4.35Å; T50-T83 WeakPolarHBondContact CA-OG1 3.39Å; T50-T83 WeakPolarHBondContact CB-OG1 3.48Å; T50-T83 PolarHBondContact N-OG1 3.48Å; T50-T83 WeakPolarHBondContact O-CB 3.5Å; T50-T83 WeakPolarHBondContact O-CG2 3.36Å; T50-T83 PolarHBondContact O-N 3.22Å; T50-T83 PolarHBondContact O-OG1 3.38Å
51V93.4Very high75Confident73 Ų73117.7 Ų117.744%0.44258%0.583SS.*EExtended strand (participates in β ladder)trans-95.9114.6171.9-177.70000107.6S49 V53 L79S49-V51 PolarHBondContact O-N 2.93Å; V51-V53 HydrophobicContact CG1-CG1 4.01Å; V51-L79 HydrophobicContact CG1-CD1 3.29Å
52I95.6Very high78Confident66 Ų66112.6 Ų112.634%0.33856%0.562SS.*EExtended strand (participates in β ladder)trans-90.6124.8178.6-56.6176.1000107.9T50 V80 E81 T83T50-I52 HydrophobicContact CG2-CG1 4.35Å; I52-V80 HydrophobicContact CG2-CB 4.33Å; I52-V80 WeakPolarHBondContact O-CB 3.46Å; I52-V80 PolarHBondContact O-N 2.98Å; I52-E81 HydrophobicContact CB-CB 4.46Å; I52-E81 PolarHBondContact N-O 3.47Å; I52-E81 PolarHBondContact O-N 2.96Å; I52-T83 HydrophobicContact CD1-CG2 4.33Å
53V96.6Very high80.5Confident70 Ų70106 Ų10642%0.42455%0.546SS..EExtended strand (participates in β ladder)trans-126.8148.3-178.4-59.50000111.7V51 Y77 K78V51-V53 HydrophobicContact CG1-CG1 4.01Å; V53-Y77 HydrophobicContact CB-CG 4.43Å; V53-Y77 HydrophobicContact CG2-CD1 3.86Å; V53-Y77 HydrophobicContact CG2-CE1 4.49Å; V53-Y77 HydrophobicContact CG2-CG 4.01Å; V53-K78 CarbonylContact C-O 3.56Å; V53-K78 WeakPolarHBondContact CA-O 3.46Å
54E96.8Very high83.2Confident119 Ų119111.8 Ų111.856%0.55657%0.565SS**EExtended strand (participates in β ladder)trans-109.2144.8172.4-175.4179.9-176.800109.5Y77 K78 V80E54-Y77 CarbonylContact O-C 3.55Å; E54-Y77 VanDerWaalsContact O-CA 3.28Å; E54-Y77 WeakPolarHBondContact O-CA 3.3Å; E54-K78 PolarHBondContact N-O 3.44Å; E54-K78 PolarHBondContact O-N 3.21Å; E54-V80 HydrophobicContact CB-CG2 3.5Å
55R97.3Very high85.6Confident107 Ų107109.7 Ų109.740%0.40458%0.575SS.*EExtended strand (participates in β ladder)trans-72.6132172.1-72-178.3179.297.62.9109.5W57 H74 Y77R55-W57 PolarHBondContact O-N 3.42Å; R55-H74 WeakPolarHBondContact CD-O 3.41Å; R55-H74 PolarHBondContact NE-O 2.93Å; R55-Y77 HydrophobicContact CG-CD1 3.86Å; R55-Y77 HydrophobicContact CG-CE1 3.61Å
56W96.2Very high88Confident154 Ų154115.2 Ų115.258%0.58358%0.583SS**SBendtrans-61.4-35.6178.3-164.1-88.2000112.6V76 K78W56-V76 HydrophobicContact CB-CB 4.24Å; W56-V76 HydrophobicContact CB-CG1 3.96Å; W56-V76 HydrophobicContact CG-CG1 4.48Å; W56-V76 PolarHBondContact N-O 3.13Å; W56-K78 HydrophobicContact CE3-CB 3.84Å; W56-K78 HydrophobicContact CE3-CD 4.17Å; W56-K78 HydrophobicContact CE3-CG 4.18Å; W56-K78 HydrophobicContact CZ3-CB 4.07Å; W56-K78 HydrophobicContact CZ3-CD 3.71Å; W56-K78 HydrophobicContact CZ3-CG 3.87Å
57W96.7Very high90.3Very high127 Ų127117.4 Ų117.448%0.48159%0.59SS.*SBendtrans-106.7132179.8-60.292.7000110.3R55 V59 R73R55-W57 PolarHBondContact O-N 3.42Å; W57-V59 PolarHBondContact O-N 2.79Å; W57-R73 HydrophobicContact CB-CG 4.4Å; W57-R73 HydrophobicContact CG-CB 4.3Å; W57-R73 HydrophobicContact CG-CG 4.16Å
58K95.4Very high92.3Very high203 Ų203111.6 Ų111.688%0.88358%0.576SS**PPolyproline II helixtrans-60.4133.5174.2-66.1-176.2178.5-178.40110.5
59V95.9Very high93.9Very high42 Ų42111.4 Ų111.426%0.25557%0.574SS.*PPolyproline II helixtrans-85.6127.2176.6178.30000108.4W57 P68 L70 H74W57-V59 PolarHBondContact O-N 2.79Å; V59-P68 HydrophobicContact CG1-CB 3.75Å; V59-L70 HydrophobicContact CB-CD2 4.39Å; V59-L70 HydrophobicContact CG1-CD2 3.63Å; V59-L70 HydrophobicContact CG2-CD2 3.77Å; V59-H74 HydrophobicContact CG2-CB 4.3Å
60P94.8Very high94.8Very high74 Ų74112.8 Ų112.848%0.48158%0.577SS.*PPolyproline II helixtrans-63.1141.6176.927.3-33.9000110.4A62P60-A62 PolarHBondContact O-N 3.28Å
61L93.7Very high95Very high175 Ų175114.1 Ų114.192%0.91658%0.578SS**PPolyproline II helixtrans-64.1132.6179-64.2173.5000109.9
62A94Very high95.1Very high40 Ų40120.9 Ų120.933%0.33160%0.595SS.*PPolyproline II helixtrans-84.1157.8163.200000109.7P60 R66 P68P60-A62 PolarHBondContact O-N 3.28Å; A62-R66 HydrophobicContact CB-CB 4.1Å; A62-R66 WeakPolarHBondContact CB-O 3.34Å; A62-P68 HydrophobicContact CB-CB 4.44Å
63G92.7Very high95.2Very high47 Ų47124 Ų12449%0.48560%0.603SS.*PPolyproline II helixtrans-57.215616800000111.2G65 R66G63-G65 PolarHBondContact O-N 2.99Å; G63-R66 VanDerWaalsContact O-CB 3.3Å; G63-R66 WeakPolarHBondContact O-CB 3.46Å; G63-R66 PolarHBondContact O-N 3.16Å
64E94.7Very high95.2Very high201 Ų201120.8 Ų120.894%0.93958%0.583SS**THydrogen-bonded Turntrans-53.9135.6-178.5-167.7171.4-175.900111.8R66E64-R66 PolarHBondContact O-N 2.88Å; E64-R66 VanDerWaalsContact O-N 3.13Å
65G95.2Very high95.1Very high88 Ų88124.4 Ų124.491%0.90759%0.592SS**THydrogen-bonded Turntrans72-5.8-174.900000115.7G63G63-G65 PolarHBondContact O-N 2.99Å
66R94.8Very high95.1Very high200 Ų200122.9 Ų122.976%0.75559%0.594SS**SBendtrans-95.5145177.3-59-175.5179.2-170.7-0.2111.2A62 G63 E64A62-R66 HydrophobicContact CB-CB 4.1Å; A62-R66 WeakPolarHBondContact CB-O 3.34Å; G63-R66 VanDerWaalsContact O-CB 3.3Å; G63-R66 WeakPolarHBondContact O-CB 3.46Å; G63-R66 PolarHBondContact O-N 3.16Å; E64-R66 PolarHBondContact O-N 2.88Å; E64-R66 VanDerWaalsContact O-N 3.13Å
67K94.4Very high95.1Very high197 Ų197121.2 Ų121.286%0.85759%0.588SS**PPolyproline II helixtrans-73.8139.6175.2-64.1-179.8-177.2176.90110.2
68P94.1Very high95.1Very high67 Ų67120.6 Ų120.644%0.43559%0.589SS.*PPolyproline II helixtrans-66.2137.2176.727.4-34000111.7V59 A62 L70V59-P68 HydrophobicContact CG1-CB 3.75Å; A62-P68 HydrophobicContact CB-CB 4.44Å; P68-L70 PolarHBondContact O-N 3.44Å
69H93.4Very high95.2Very high154 Ų154116.1 Ų116.171%0.71357%0.574SS**  trans-78.1115.4173.6-171.272.5000110.1
70L95.1Very high95.2Very high87 Ų87118.1 Ų118.146%0.45559%0.586SS.*  trans-96.2125.2-178.5-62.7-179.2000111V59 P68 H74V59-L70 HydrophobicContact CB-CD2 4.39Å; V59-L70 HydrophobicContact CG1-CD2 3.63Å; V59-L70 HydrophobicContact CG2-CD2 3.77Å; P68-L70 PolarHBondContact O-N 3.44Å; L70-H74 HydrophobicContact CD2-CB 4.29Å
71H94.4Very high95.2Very high106 Ų106118.1 Ų118.149%0.49158%0.58SS.*  trans-92.1162.9172.9-160.561.2000111.3R73 H74H71-R73 HydrophobicContact CB-CG 4.29Å; H71-R73 PolarHBondContact O-N 2.89Å; H71-R73 VanDerWaalsContact O-N 3.14Å; H71-H74 PolarHBondContact N-ND1 3.23Å; H71-H74 VanDerWaalsContact N-ND1 3.15Å; H71-H74 WeakPolarHBondContact O-CB 3.38Å; H71-H74 PolarHBondContact O-N 3.4Å
72R96.5Very high95.2Very high215 Ų215110.9 Ų110.981%0.81154%0.542SS*.G310 helixtrans-52.4-39.2-179.8-174.7179.8124.9149.1-0.8112.4H74 R75R72-H74 PolarHBondContact O-N 3.05Å; R72-R75 WeakPolarHBondContact O-CB 3.45Å; R72-R75 PolarHBondContact O-N 3.28Å; R72-R75 VanDerWaalsContact O-N 3.17Å
73R96.1Very high95Very high131 Ų131110.6 Ų110.649%0.49454%0.536SS..G310 helixtrans-58.9-29177.373.1-173.7177.8-165.2-0.9113.6W57 H71 R75 V76W57-R73 HydrophobicContact CB-CG 4.4Å; W57-R73 HydrophobicContact CG-CB 4.3Å; W57-R73 HydrophobicContact CG-CG 4.16Å; H71-R73 HydrophobicContact CB-CG 4.29Å; H71-R73 PolarHBondContact O-N 2.89Å; H71-R73 VanDerWaalsContact O-N 3.14Å; R73-R75 PolarHBondContact O-N 3.34Å; R73-V76 PolarHBondContact O-N 2.98Å
74H96.5Very high94.8Very high3 Ų3113.9 Ų113.91%0.01454%0.537CS..G310 helixtrans-75.7-2.2-179.5-54157.2000113.8R55 V59 L70 H71 R72 V76R55-H74 WeakPolarHBondContact CD-O 3.41Å; R55-H74 PolarHBondContact NE-O 2.93Å; V59-H74 HydrophobicContact CG2-CB 4.3Å; L70-H74 HydrophobicContact CD2-CB 4.29Å; H71-H74 PolarHBondContact N-ND1 3.23Å; H71-H74 VanDerWaalsContact N-ND1 3.15Å; H71-H74 WeakPolarHBondContact O-CB 3.38Å; H71-H74 PolarHBondContact O-N 3.4Å; R72-H74 PolarHBondContact O-N 3.05Å; H74-V76 VanDerWaalsContact C-N 3.33Å
75R95.6Very high94.7Very high195 Ų195111.4 Ų111.474%0.73653%0.525SS*.G310 helixtrans-88.4-0.2173.2-61.2-175.7179.6-177.3-0.3113R72 R73 Y77R72-R75 WeakPolarHBondContact O-CB 3.45Å; R72-R75 PolarHBondContact O-N 3.28Å; R72-R75 VanDerWaalsContact O-N 3.17Å; R73-R75 PolarHBondContact O-N 3.34Å; R75-Y77 VanDerWaalsContact O-CD2 3.32Å; R75-Y77 WeakPolarHBondContact O-CD2 3.5Å; R75-Y77 VanDerWaalsContact O-CE2 3.32Å; R75-Y77 WeakPolarHBondContact O-CE2 3.41Å
76V96.5Very high94.5Very high74 Ų74112.4 Ų112.445%0.44850%0.502SS..  trans-85.3122.7172.3-176.80000108.7W56 R73 H74W56-V76 HydrophobicContact CB-CB 4.24Å; W56-V76 HydrophobicContact CB-CG1 3.96Å; W56-V76 HydrophobicContact CG-CG1 4.48Å; W56-V76 PolarHBondContact N-O 3.13Å; R73-V76 PolarHBondContact O-N 2.98Å; H74-V76 VanDerWaalsContact C-N 3.33Å
77Y97.5Very high94.4Very high120 Ų120108.5 Ų108.547%0.47150%0.502SS..EExtended strand (participates in β ladder)trans-115.8146.2-176.3-59.1-67.5000111.6V53 E54 R55 R75V53-Y77 HydrophobicContact CB-CG 4.43Å; V53-Y77 HydrophobicContact CG2-CD1 3.86Å; V53-Y77 HydrophobicContact CG2-CE1 4.49Å; V53-Y77 HydrophobicContact CG2-CG 4.01Å; E54-Y77 CarbonylContact O-C 3.55Å; E54-Y77 VanDerWaalsContact O-CA 3.28Å; E54-Y77 WeakPolarHBondContact O-CA 3.3Å; R55-Y77 HydrophobicContact CG-CD1 3.86Å; R55-Y77 HydrophobicContact CG-CE1 3.61Å; R75-Y77 VanDerWaalsContact O-CD2 3.32Å; R75-Y77 WeakPolarHBondContact O-CD2 3.5Å; R75-Y77 VanDerWaalsContact O-CE2 3.32Å; R75-Y77 WeakPolarHBondContact O-CE2 3.41Å
78K96.4Very high94.2Very high113 Ų113107.7 Ų107.749%0.49150%0.499SS..EExtended strand (participates in β ladder)trans-104.8130.9167.6-169.7-179.9176-176.30108.3V53 E54 W56 V80V53-K78 CarbonylContact C-O 3.56Å; V53-K78 WeakPolarHBondContact CA-O 3.46Å; E54-K78 PolarHBondContact N-O 3.44Å; E54-K78 PolarHBondContact O-N 3.21Å; W56-K78 HydrophobicContact CE3-CB 3.84Å; W56-K78 HydrophobicContact CE3-CD 4.17Å; W56-K78 HydrophobicContact CE3-CG 4.18Å; W56-K78 HydrophobicContact CZ3-CB 4.07Å; W56-K78 HydrophobicContact CZ3-CD 3.71Å; W56-K78 HydrophobicContact CZ3-CG 3.87Å; K78-V80 PolarHBondContact O-N 3.31Å
79L96.3Very high94.2Very high110 Ų110109.8 Ų109.858%0.57651%0.507SS*.EExtended strand (participates in β ladder)trans-64.6123.7170.6179.163.9000109.1V51V51-L79 HydrophobicContact CG1-CD1 3.29Å
80V96.1Very high94.3Very high83 Ų83106.8 Ų106.850%0.50350%0.496SS..EExtended strand (participates in β ladder)trans-96.1-55.7174.5177.40000109I52 E54 K78I52-V80 HydrophobicContact CG2-CB 4.33Å; I52-V80 WeakPolarHBondContact O-CB 3.46Å; I52-V80 PolarHBondContact O-N 2.98Å; E54-V80 HydrophobicContact CB-CG2 3.5Å; K78-V80 PolarHBondContact O-N 3.31Å
81E95.3Very high94.4Very high75 Ų75104 Ų10435%0.3548%0.481SS..EExtended strand (participates in β ladder)trans-156.1145.2-174.5-170174.6-179.500111.7I52 R86I52-E81 HydrophobicContact CB-CB 4.46Å; I52-E81 PolarHBondContact N-O 3.47Å; I52-E81 PolarHBondContact O-N 2.96Å; E81-R86 VanDerWaalsContact CD-NE 3.29Å; E81-R86 WeakPolarHBondContact OE1-CG 3.5Å; E81-R86 IonicContact OE1-CZ 2.88Å; E81-R86 IonicContact OE1-NE 3.47Å; E81-R86 PolarHBondContact OE1-NE 3.11Å; E81-R86 IonicContact OE1-NH2 3.64Å; E81-R86 PolarHBondContact OE1-NH2 3.12Å; E81-R86 IonicContact OE2-CZ 2.67Å; E81-R86 IonicContact OE2-NE 3.33Å; E81-R86 IonicContact OE2-NH2 3.25Å; E81-R86 PolarHBondContact OE2-NH2 3.28Å
82D93.4Very high94.6Very high23 Ų23103.4 Ų103.412%0.12348%0.479CS..EExtended strand (participates in β ladder)trans-113.2115.8170.6-169.8-20.6000109.7K84 H85D82-K84 PolarHBondContact O-N 3.2Å; D82-K84 VanDerWaalsContact O-N 3.09Å; D82-K84 WeakPolarHBondContact OD1-CD 3.44Å; D82-K84 VanDerWaalsContact OD1-CG 3.28Å; D82-K84 WeakPolarHBondContact OD1-CG 3.48Å; D82-K84 PolarHBondContact OD1-N 3.44Å; D82-K84 VanDerWaalsContact OD1-N 3.15Å; D82-K84 WeakPolarHBondContact OD2-CD 3.44Å; D82-K84 WeakPolarHBondContact OD2-CE 3.42Å; D82-K84 IonicContact OD2-NZ 2.69Å; D82-K84 PolarHBondContact OD2-NZ 3.01Å; D82-H85 PolarHBondContact O-N 2.82Å
83T91Very high94.6Very high34 Ų3493.2 Ų93.221%0.20944%0.44CS..G310 helixtrans-60.6-21-176.354.50000113.7T50 I52 H85 R86T50-T83 WeakPolarHBondContact CA-OG1 3.39Å; T50-T83 WeakPolarHBondContact CB-OG1 3.48Å; T50-T83 PolarHBondContact N-OG1 3.48Å; T50-T83 WeakPolarHBondContact O-CB 3.5Å; T50-T83 WeakPolarHBondContact O-CG2 3.36Å; T50-T83 PolarHBondContact O-N 3.22Å; T50-T83 PolarHBondContact O-OG1 3.38Å; I52-T83 HydrophobicContact CD1-CG2 4.33Å; T83-H85 PolarHBondContact O-N 3.43Å; T83-R86 WeakPolarHBondContact O-CB 3.35Å; T83-R86 PolarHBondContact O-N 2.95Å
84K88.7Confident94.7Very high116 Ų11687.2 Ų87.250%0.50442%0.418SS..G310 helixtrans-65.8-24.4179.680.5-166-179.9-149.90113.3D82D82-K84 PolarHBondContact O-N 3.2Å; D82-K84 VanDerWaalsContact O-N 3.09Å; D82-K84 WeakPolarHBondContact OD1-CD 3.44Å; D82-K84 VanDerWaalsContact OD1-CG 3.28Å; D82-K84 WeakPolarHBondContact OD1-CG 3.48Å; D82-K84 PolarHBondContact OD1-N 3.44Å; D82-K84 VanDerWaalsContact OD1-N 3.15Å; D82-K84 WeakPolarHBondContact OD2-CD 3.44Å; D82-K84 WeakPolarHBondContact OD2-CE 3.42Å; D82-K84 IonicContact OD2-NZ 2.69Å; D82-K84 PolarHBondContact OD2-NZ 3.01Å
85H90.7Very high94.8Very high149 Ų14987 Ų8769%0.6942%0.417SS*.G310 helixtrans-92.4-5.9-179.9-64.4-57.5000113.2D82 T83D82-H85 PolarHBondContact O-N 2.82Å; T83-H85 PolarHBondContact O-N 3.43Å
86R90.9Very high94.8Very high108 Ų10879.2 Ų79.241%0.40839%0.391SS..SBendtrans-66.2146.4174.1-68.2-179.1177.2-179.7-2.1110.7E81 T83 K88E81-R86 VanDerWaalsContact CD-NE 3.29Å; E81-R86 WeakPolarHBondContact OE1-CG 3.5Å; E81-R86 IonicContact OE1-CZ 2.88Å; E81-R86 IonicContact OE1-NE 3.47Å; E81-R86 PolarHBondContact OE1-NE 3.11Å; E81-R86 IonicContact OE1-NH2 3.64Å; E81-R86 PolarHBondContact OE1-NH2 3.12Å; E81-R86 IonicContact OE2-CZ 2.67Å; E81-R86 IonicContact OE2-NE 3.33Å; E81-R86 IonicContact OE2-NH2 3.25Å; E81-R86 PolarHBondContact OE2-NH2 3.28Å; T83-R86 WeakPolarHBondContact O-CB 3.35Å; T83-R86 PolarHBondContact O-N 2.95Å; R86-K88 PolarHBondContact O-N 3.31Å
87P93.3Very high94.8Very high119 Ų11981 Ų8177%0.77339%0.394SS*.PPolyproline II helixtrans-58.5139.5170.126.4-33.6000109.8
88K91.1Very high94.6Very high179 Ų17978 Ų7878%0.77839%0.391SS*.PPolyproline II helixtrans-90.6122.6-175.1-63.5176.3-175.7175.30109.8R86R86-K88 PolarHBondContact O-N 3.31Å
89D93.9Very high94.5Very high112 Ų11273.2 Ų73.260%0.59937%0.371SS*.PPolyproline II helixtrans-70.4155.4171.1-34.3-62.5000111.5K113D89-K113 WeakPolarHBondContact O-CD 3.36Å; D89-K113 WeakPolarHBondContact O-CE 3.3Å; D89-K113 IonicContact OD2-NZ 3.52Å; D89-K113 PolarHBondContact OD2-NZ 2.76Å
90N96.1Very high94.2Very high90 Ų9072.8 Ų72.848%0.48137%0.37SS..EExtended strand (participates in β ladder)trans-75164.5169.2-65.5-30.7000110.9S110 V111N90-S110 WeakPolarHBondContact CB-OG 3.25Å; N90-V111 CarbonylContact C-O 3.48Å; N90-V111 WeakPolarHBondContact CA-O 3.39Å
91L96.2Very high93.9Very high28 Ų2877 Ų7715%0.14738%0.384CS..EExtended strand (participates in β ladder)trans-111.8125.8176.8-177.465.9000108.5L93 V111 K113 L121 Y128L91-L93 HydrophobicContact CD2-CD1 4.12Å; L91-L93 HydrophobicContact CD2-CD2 3.98Å; L91-L93 HydrophobicContact CD2-CG 4.1Å; L91-L93 HydrophobicContact CG-CD2 4.09Å; L91-L93 HydrophobicContact CG-CG 4.07Å; L91-V111 PolarHBondContact N-O 2.64Å; L91-V111 PolarHBondContact O-N 3.49Å; L91-K113 HydrophobicContact CB-CG 4Å; L91-L121 HydrophobicContact CD2-CD1 4.43Å; L91-Y128 HydrophobicContact CD1-CE1 4.42Å; L91-Y128 HydrophobicContact CD2-CE1 4.36Å
92E97.7Very high93.8Very high95 Ų9575.2 Ų75.244%0.44438%0.376SS..EExtended strand (participates in β ladder)trans-82.6125172.9-65.6-178.9-175.400110.3L108 V109 A129 R134E92-L108 HydrophobicContact CG-CD2 4.43Å; E92-V109 WeakPolarHBondContact CA-O 3.37Å; E92-A129 HydrophobicContact CB-CB 4.19Å; E92-R134 IonicContact OE2-NH2 3.81Å; E92-R134 PolarHBondContact OE2-NH2 2.88Å
93L98.1Very high93.8Very high0 Ų074.2 Ų74.20%037%0.371CS..EExtended strand (participates in β ladder)trans-133.5155.6177.3-63.9177.1000109.7L91 L108 V109 V111 L120 L121 A126 V127 Y128L91-L93 HydrophobicContact CD2-CD1 4.12Å; L91-L93 HydrophobicContact CD2-CD2 3.98Å; L91-L93 HydrophobicContact CD2-CG 4.1Å; L91-L93 HydrophobicContact CG-CD2 4.09Å; L91-L93 HydrophobicContact CG-CG 4.07Å; L93-L108 WeakPolarHBondContact O-CA 3.38Å; L93-V109 HydrophobicContact CB-CG2 4.32Å; L93-V109 PolarHBondContact N-O 3.38Å; L93-V109 PolarHBondContact O-N 2.92Å; L93-V111 HydrophobicContact CD1-CG2 3.98Å; L93-L120 HydrophobicContact CD1-CB 4.27Å; L93-L120 HydrophobicContact CD1-CD1 4.06Å; L93-L121 HydrophobicContact CD1-CG 4.26Å; L93-L121 HydrophobicContact CD2-CD1 4.28Å; L93-L121 HydrophobicContact CD2-CD2 3.99Å; L93-L121 HydrophobicContact CD2-CG 4.32Å; L93-A126 HydrophobicContact CB-CB 4.09Å; L93-A126 HydrophobicContact CD1-CB 4.13Å; L93-V127 WeakPolarHBondContact CA-O 3.3Å; L93-Y128 HydrophobicContact CD2-CD1 3.79Å; L93-Y128 HydrophobicContact CD2-CE1 4.24Å; L93-Y128 HydrophobicContact CD2-CG 4.41Å
94I97.9Very high94Very high5 Ų573 Ų733%0.02636%0.364CS..EExtended strand (participates in β ladder)trans-105.4128.5169.3-56.9170.3000107.5D107 A126 V127 A129 N133 R134 F137I94-D107 WeakPolarHBondContact CA-O 3.35Å; I94-A126 CarbonylContact O-C 3.49Å; I94-A126 VanDerWaalsContact O-CA 3.23Å; I94-A126 WeakPolarHBondContact O-CA 3.43Å; I94-A126 WeakPolarHBondContact O-CB 3.47Å; I94-V127 PolarHBondContact N-O 3.14Å; I94-V127 PolarHBondContact O-N 2.82Å; I94-A129 HydrophobicContact CD1-CB 4.36Å; I94-A129 HydrophobicContact CG1-CB 4.08Å; I94-N133 HydrophobicContact CD1-CB 4.29Å; I94-R134 HydrophobicContact CD1-CG 3.96Å; I94-F137 HydrophobicContact CB-CD2 4.27Å; I94-F137 HydrophobicContact CB-CE2 4.3Å; I94-F137 HydrophobicContact CD1-CD2 4Å; I94-F137 HydrophobicContact CG2-CB 4.3Å; I94-F137 HydrophobicContact CG2-CD1 3.98Å; I94-F137 HydrophobicContact CG2-CD2 3.56Å; I94-F137 HydrophobicContact CG2-CE1 4.13Å; I94-F137 HydrophobicContact CG2-CE2 3.75Å; I94-F137 HydrophobicContact CG2-CG 3.69Å; I94-F137 HydrophobicContact CG2-CZ 4.02Å
95L97.9Very high94.2Very high0 Ų071.3 Ų71.30%035%0.354CS..EExtended strand (participates in β ladder)trans-77.6130.9-180-66.2-179.2000111.3V99 I102 G103 G106 D107 V109 L120 A126L95-V99 HydrophobicContact CD2-CG2 4.47Å; L95-I102 HydrophobicContact CD1-CG2 4.09Å; L95-I102 HydrophobicContact CD2-CG2 4.46Å; L95-G103 WeakPolarHBondContact CD1-O 3.26Å; L95-G106 PolarHBondContact O-N 3.35Å; L95-D107 PolarHBondContact N-O 3.42Å; L95-V109 HydrophobicContact CD1-CG1 3.88Å; L95-V109 HydrophobicContact CD1-CG2 4.35Å; L95-V109 HydrophobicContact CD2-CG2 3.93Å; L95-V109 HydrophobicContact CG-CG1 4.11Å; L95-V109 HydrophobicContact CG-CG2 3.86Å; L95-L120 HydrophobicContact CD2-CD1 4.25Å; L95-A126 HydrophobicContact CD2-CB 3.96Å
96T96.5Very high94.4Very high31 Ų3165.2 Ų65.219%0.1933%0.332CS..SBendtrans-86.4-30.7172.9-52.50000110.8R105 L125T96-R105 VanDerWaalsContact CG2-NH1 3.31Å; T96-R105 WeakPolarHBondContact O-CD 3.49Å; T96-R105 WeakPolarHBondContact O-CG 3.49Å; T96-R105 PolarHBondContact O-NH1 3.35Å; T96-L125 PolarHBondContact N-O 3.41Å
97Q95Very high94.6Very high110 Ų11062.9 Ų62.951%0.51433%0.328SS..SBendtrans-126.8156.7179-64.9-179.3-3.200109.3V99 L125Q97-V99 PolarHBondContact O-N 3.44Å; Q97-L125 HydrophobicContact CB-CD2 4.27Å; Q97-L125 PolarHBondContact N-O 3.06Å
98S94Very high94.8Very high59 Ų5961.6 Ų61.641%0.41331%0.314SS..  trans-66.3132.2168.741.60000109.5E158S98-E158 WeakPolarHBondContact CB-OE1 3.49Å; S98-E158 PolarHBondContact OG-OE1 3.02Å
99V94.5Very high95.1Very high12 Ų1253.9 Ų53.97%0.07328%0.282CS..BIsolated β-bridgetrans-126.8122.6179.3-176.80000108.1L95 Q97 E101 I102 G103 L120 L125L95-V99 HydrophobicContact CD2-CG2 4.47Å; Q97-V99 PolarHBondContact O-N 3.44Å; V99-E101 PolarHBondContact O-N 3.09Å; V99-I102 HydrophobicContact CB-CB 4.32Å; V99-I102 HydrophobicContact CB-CD1 4.43Å; V99-I102 HydrophobicContact CG1-CB 4.4Å; V99-I102 HydrophobicContact CG1-CD1 3.76Å; V99-I102 HydrophobicContact CG1-CG1 4.17Å; V99-I102 PolarHBondContact O-N 3.04Å; V99-I102 VanDerWaalsContact O-N 3.11Å; V99-G103 PolarHBondContact N-O 3.26Å; V99-G103 PolarHBondContact O-N 3.46Å; V99-L120 HydrophobicContact CG1-CD2 4.43Å; V99-L120 HydrophobicContact CG2-CD2 4.33Å; V99-L125 HydrophobicContact CG2-CB 4.13Å; V99-L125 HydrophobicContact CG2-CD1 4.07Å
100D89.8Confident95.2Very high101 Ų10151.9 Ų51.954%0.5428%0.277SS..THydrogen-bonded Turntrans-40.5129176.2-83.731.8000111.9I102 K162D100-I102 PolarHBondContact O-N 2.98Å; D100-K162 IonicContact OD2-NZ 3.54Å; D100-K162 PolarHBondContact OD2-NZ 3.18Å
101E89.3Confident95.2Very high170 Ų17048.5 Ų48.579%0.79426%0.259SS*.THydrogen-bonded Turntrans69.2-26178.4-54.1175.4175.900116V99 K155V99-E101 PolarHBondContact O-N 3.09Å; E101-K155 VanDerWaalsContact O-CE 3.26Å; E101-K155 WeakPolarHBondContact O-CE 3.44Å; E101-K155 PolarHBondContact O-NZ 3.11Å
102I92.9Very high95.2Very high38 Ų3854.5 Ų54.520%0.19528%0.284CS..THydrogen-bonded Turntrans-81.3-62.1-177.2-54.8-178.6000110.1L95 V99 D100 V109 V111 L120 K155L95-I102 HydrophobicContact CD1-CG2 4.09Å; L95-I102 HydrophobicContact CD2-CG2 4.46Å; V99-I102 HydrophobicContact CB-CB 4.32Å; V99-I102 HydrophobicContact CB-CD1 4.43Å; V99-I102 HydrophobicContact CG1-CB 4.4Å; V99-I102 HydrophobicContact CG1-CD1 3.76Å; V99-I102 HydrophobicContact CG1-CG1 4.17Å; V99-I102 PolarHBondContact O-N 3.04Å; V99-I102 VanDerWaalsContact O-N 3.11Å; D100-I102 PolarHBondContact O-N 2.98Å; I102-V109 HydrophobicContact CG2-CB 4.23Å; I102-V109 HydrophobicContact CG2-CG1 4.17Å; I102-V109 HydrophobicContact CG2-CG2 4.14Å; I102-V111 HydrophobicContact CG2-CG1 4.04Å; I102-L120 HydrophobicContact CD1-CD1 4.28Å; I102-L120 HydrophobicContact CD1-CD2 3.94Å; I102-K155 PolarHBondContact O-NZ 2.95Å
103G94.3Very high95.1Very high2 Ų253 Ų532%0.02128%0.276CS..BIsolated β-bridgetrans170.8-176.8-175.600000113.9L95 V99L95-G103 WeakPolarHBondContact CD1-O 3.26Å; V99-G103 PolarHBondContact N-O 3.26Å; V99-G103 PolarHBondContact O-N 3.46Å
104V94.3Very high94.9Very high10 Ų1056.6 Ų56.66%0.06130%0.301CS..  trans-100.5160.5-176.1178.30000110.2G106 D107 I152 Q153 K155V104-G106 PolarHBondContact O-N 3.2Å; V104-D107 PolarHBondContact N-OD2 3.14Å; V104-D107 VanDerWaalsContact O-CB 3.3Å; V104-D107 WeakPolarHBondContact O-CB 3.27Å; V104-D107 PolarHBondContact O-N 3.3Å; V104-I152 HydrophobicContact CG1-CB 4.31Å; V104-I152 HydrophobicContact CG1-CG2 3.34Å; V104-Q153 VanDerWaalsContact CG1-O 3.27Å; V104-Q153 WeakPolarHBondContact CG1-O 3.44Å; V104-Q153 WeakPolarHBondContact CG2-O 3.42Å; V104-K155 HydrophobicContact CG2-CB 4.05Å; V104-K155 VanDerWaalsContact CG2-N 3.3Å
105R94.5Very high94.8Very high79 Ų7959.1 Ų59.130%0.29832%0.317SS..THydrogen-bonded Turntrans-49.1129.5170.8171.9173179.295.80.5111.7T96 D107 E140 I152T96-R105 VanDerWaalsContact CG2-NH1 3.31Å; T96-R105 WeakPolarHBondContact O-CD 3.49Å; T96-R105 WeakPolarHBondContact O-CG 3.49Å; T96-R105 PolarHBondContact O-NH1 3.35Å; R105-D107 VanDerWaalsContact C-N 3.33Å; R105-E140 IonicContact CZ-OE1 3.36Å; R105-E140 IonicContact NE-OE1 2.66Å; R105-E140 PolarHBondContact NE-OE1 2.9Å; R105-E140 IonicContact NE-OE2 3.32Å; R105-E140 IonicContact NH2-OE1 3.28Å; R105-E140 PolarHBondContact NH2-OE1 3.46Å; R105-E140 IonicContact NH2-OE2 3.44Å; R105-I152 HydrophobicContact CB-CD1 3.95Å; R105-I152 HydrophobicContact CG-CD1 4.03Å
106G95Very high94.7Very high22 Ų2259.1 Ų59.123%0.22732%0.317CS..THydrogen-bonded Turntrans87.2-5.4179.500000114.3L95 V104L95-G106 PolarHBondContact O-N 3.35Å; V104-G106 PolarHBondContact O-N 3.2Å
107D95.3Very high94.6Very high59 Ų5963.9 Ų63.932%0.31633%0.331SS..  trans-74.8139.8177.1-71.3-19.1000111.4I94 L95 V104 R105 V109I94-D107 WeakPolarHBondContact CA-O 3.35Å; L95-D107 PolarHBondContact N-O 3.42Å; V104-D107 PolarHBondContact N-OD2 3.14Å; V104-D107 VanDerWaalsContact O-CB 3.3Å; V104-D107 WeakPolarHBondContact O-CB 3.27Å; V104-D107 PolarHBondContact O-N 3.3Å; R105-D107 VanDerWaalsContact C-N 3.33Å; D107-V109 HydrophobicContact CB-CG1 4.22Å
108L96.7Very high94.6Very high92 Ų9264.2 Ų64.248%0.48234%0.337SS..EExtended strand (participates in β ladder)trans-84.3117168.3-170.9155.9000108.7E92 L93E92-L108 HydrophobicContact CG-CD2 4.43Å; L93-L108 WeakPolarHBondContact O-CA 3.38Å
109V96.5Very high94.6Very high16 Ų1666 Ų6610%0.09734%0.337CS..EExtended strand (participates in β ladder)trans-119.7135.8-175.3-61.50000111.2E92 L93 L95 I102 D107 V111E92-V109 WeakPolarHBondContact CA-O 3.37Å; L93-V109 HydrophobicContact CB-CG2 4.32Å; L93-V109 PolarHBondContact N-O 3.38Å; L93-V109 PolarHBondContact O-N 2.92Å; L95-V109 HydrophobicContact CD1-CG1 3.88Å; L95-V109 HydrophobicContact CD1-CG2 4.35Å; L95-V109 HydrophobicContact CD2-CG2 3.93Å; L95-V109 HydrophobicContact CG-CG1 4.11Å; L95-V109 HydrophobicContact CG-CG2 3.86Å; I102-V109 HydrophobicContact CG2-CB 4.23Å; I102-V109 HydrophobicContact CG2-CG1 4.17Å; I102-V109 HydrophobicContact CG2-CG2 4.14Å; D107-V109 HydrophobicContact CB-CG1 4.22Å; V109-V111 HydrophobicContact CB-CG1 4.29Å; V109-V111 HydrophobicContact CG2-CG1 4.03Å
110S97.4Very high94.7Very high71 Ų7165.4 Ų65.450%0.49733%0.333SS..EExtended strand (participates in β ladder)trans-99.9102.8174.1-167.30000109.2N90N90-S110 WeakPolarHBondContact CB-OG 3.25Å
111V96.3Very high95.1Very high18 Ų1862.5 Ų62.511%0.10932%0.317CS..EExtended strand (participates in β ladder)trans-116.7159.3-174.1-63.20000111.7N90 L91 L93 I102 V109 K113 L120N90-V111 CarbonylContact C-O 3.48Å; N90-V111 WeakPolarHBondContact CA-O 3.39Å; L91-V111 PolarHBondContact N-O 2.64Å; L91-V111 PolarHBondContact O-N 3.49Å; L93-V111 HydrophobicContact CD1-CG2 3.98Å; I102-V111 HydrophobicContact CG2-CG1 4.04Å; V109-V111 HydrophobicContact CB-CG1 4.29Å; V109-V111 HydrophobicContact CG2-CG1 4.03Å; V111-K113 PolarHBondContact O-N 3.31Å; V111-L120 HydrophobicContact CG1-CD1 4.31Å; V111-L120 HydrophobicContact CG2-CD1 4.14Å
112K96.2Very high95.4Very high155 Ų15558 Ų5867%0.67431%0.305SS*.EExtended strand (participates in β ladder)trans-59.9136.6171-68.5-179.9179.6174.70110S114 V115 G116K112-S114 PolarHBondContact O-N 3.43Å; K112-V115 HydrophobicContact CB-CG2 4.47Å; K112-V115 PolarHBondContact O-N 2.81Å; K112-G116 PolarHBondContact O-N 3.29Å
113K94.8Very high95.5Very high64 Ų6462 Ų6228%0.27832%0.323SS..Hα-helixtrans-49.7-35.5179.8-73.5169.8-179.2165.90113.8D89 L91 V111 R117D89-K113 WeakPolarHBondContact O-CD 3.36Å; D89-K113 WeakPolarHBondContact O-CE 3.3Å; D89-K113 IonicContact OD2-NZ 3.52Å; D89-K113 PolarHBondContact OD2-NZ 2.76Å; L91-K113 HydrophobicContact CB-CG 4Å; V111-K113 PolarHBondContact O-N 3.31Å; K113-R117 WeakPolarHBondContact O-CB 3.48Å; K113-R117 WeakPolarHBondContact O-CG 3.44Å; K113-R117 PolarHBondContact O-N 3.05Å
114S93.9Very high95.6Very high75 Ų7564 Ų6452%0.52434%0.343SS..Hα-helixtrans-64.4-49.5176.8-178.50000112.4K112 G116 R117 N118K112-S114 PolarHBondContact O-N 3.43Å; S114-G116 PolarHBondContact O-N 3.04Å; S114-R117 PolarHBondContact O-N 3.42Å; S114-N118 VanDerWaalsContact O-CB 3.26Å; S114-N118 WeakPolarHBondContact O-CB 3.27Å; S114-N118 PolarHBondContact O-N 3.07Å
115V94.9Very high95.8Very high58 Ų5864.7 Ų64.735%0.35235%0.346SS..Hα-helixtrans-65-42.5178.7-179.90000110.5K112 K119 L120K112-V115 HydrophobicContact CB-CG2 4.47Å; K112-V115 PolarHBondContact O-N 2.81Å; V115-K119 WeakPolarHBondContact O-CB 3.4Å; V115-K119 PolarHBondContact O-N 2.85Å; V115-K119 VanDerWaalsContact O-N 3.1Å; V115-L120 HydrophobicContact CG1-CG 4.5Å; V115-L120 PolarHBondContact O-N 2.93Å; V115-L120 VanDerWaalsContact O-N 3.11Å
116G95.9Very high96Very high0 Ų061.1 Ų61.10%033%0.334CS..Iπ-helixtrans-57.3-52176.800000112.7K112 S114 L120 L121K112-G116 PolarHBondContact O-N 3.29Å; S114-G116 PolarHBondContact O-N 3.04Å; G116-L120 PolarHBondContact O-N 3.44Å; G116-L121 WeakPolarHBondContact O-CB 3.16Å; G116-L121 VanDerWaalsContact O-CG 3.28Å; G116-L121 WeakPolarHBondContact O-CG 3.33Å; G116-L121 PolarHBondContact O-N 3.26Å
117R95.1Very high96.1Very high131 Ų13162.5 Ų62.549%0.49434%0.338SS..Iπ-helixtrans-76-45.3-175.7-66.4173.7-172.8142.7-0.7113.5K113 S114 L121 S122K113-R117 WeakPolarHBondContact O-CB 3.48Å; K113-R117 WeakPolarHBondContact O-CG 3.44Å; K113-R117 PolarHBondContact O-N 3.05Å; S114-R117 PolarHBondContact O-N 3.42Å; R117-L121 HydrophobicContact CG-CD1 4.41Å; R117-S122 PolarHBondContact O-N 3.47Å
118N94.6Very high96.2Very high117 Ų11765.6 Ų65.663%0.62635%0.346SS*.Iπ-helixtrans-86-24.5-169.7-62.5-12.2000113.4S114 S122S114-N118 VanDerWaalsContact O-CB 3.26Å; S114-N118 WeakPolarHBondContact O-CB 3.27Å; S114-N118 PolarHBondContact O-N 3.07Å; N118-S122 PolarHBondContact O-OG 3.21Å
119K94.9Very high96.3Very high95 Ų9562 Ų6241%0.41333%0.33SS..Iπ-helixtrans-112.8-60.3179.9-174.1-177.8178.7-176.90111.8V115 S122 Q123V115-K119 WeakPolarHBondContact O-CB 3.4Å; V115-K119 PolarHBondContact O-N 2.85Å; V115-K119 VanDerWaalsContact O-N 3.1Å; K119-S122 PolarHBondContact N-OG 3.16Å; K119-S122 PolarHBondContact O-OG 3.22Å; K119-S122 VanDerWaalsContact O-OG 3.13Å; K119-Q123 WeakPolarHBondContact O-CB 3.4Å; K119-Q123 WeakPolarHBondContact O-CG 3.43Å; K119-Q123 PolarHBondContact O-N 2.88Å; K119-Q123 PolarHBondContact O-OE1 3.37Å
120L96.9Very high96.3Very high0 Ų062.9 Ų62.90%034%0.336CS..Iπ-helixtrans-73.3-49.3-167.2-60.4-179.7000113.1L93 L95 V99 I102 V111 V115 G116 G124 L125 A126L93-L120 HydrophobicContact CD1-CB 4.27Å; L93-L120 HydrophobicContact CD1-CD1 4.06Å; L95-L120 HydrophobicContact CD2-CD1 4.25Å; V99-L120 HydrophobicContact CG1-CD2 4.43Å; V99-L120 HydrophobicContact CG2-CD2 4.33Å; I102-L120 HydrophobicContact CD1-CD1 4.28Å; I102-L120 HydrophobicContact CD1-CD2 3.94Å; V111-L120 HydrophobicContact CG1-CD1 4.31Å; V111-L120 HydrophobicContact CG2-CD1 4.14Å; V115-L120 HydrophobicContact CG1-CG 4.5Å; V115-L120 PolarHBondContact O-N 2.93Å; V115-L120 VanDerWaalsContact O-N 3.11Å; G116-L120 PolarHBondContact O-N 3.44Å; L120-G124 PolarHBondContact O-N 3.34Å; L120-L125 HydrophobicContact CD2-CB 4.18Å; L120-L125 HydrophobicContact CD2-CD1 4.25Å; L120-L125 PolarHBondContact O-N 3.07Å; L120-A126 HydrophobicContact CB-CB 3.79Å; L120-A126 HydrophobicContact CD1-CB 4.44Å; L120-A126 PolarHBondContact O-N 3.13Å
121L96.6Very high96.4Very high40 Ų4064.1 Ų64.121%0.20934%0.343CS..Iπ-helixtrans-74.7-40.1-179.3-68.1171.6000111.8L91 L93 G116 R117 Q123 G124 A126 Y128L91-L121 HydrophobicContact CD2-CD1 4.43Å; L93-L121 HydrophobicContact CD1-CG 4.26Å; L93-L121 HydrophobicContact CD2-CD1 4.28Å; L93-L121 HydrophobicContact CD2-CD2 3.99Å; L93-L121 HydrophobicContact CD2-CG 4.32Å; G116-L121 WeakPolarHBondContact O-CB 3.16Å; G116-L121 VanDerWaalsContact O-CG 3.28Å; G116-L121 WeakPolarHBondContact O-CG 3.33Å; G116-L121 PolarHBondContact O-N 3.26Å; R117-L121 HydrophobicContact CG-CD1 4.41Å; L121-Q123 VanDerWaalsContact C-N 3.3Å; L121-Q123 PolarHBondContact O-N 3.18Å; L121-G124 PolarHBondContact O-N 2.9Å; L121-A126 WeakPolarHBondContact CD2-O 3.26Å; L121-Y128 HydrophobicContact CD1-CE1 3.71Å; L121-Y128 HydrophobicContact CD1-CE2 4.06Å; L121-Y128 VanDerWaalsContact CD1-CZ 3.44Å; L121-Y128 WeakPolarHBondContact CD1-OH 3.34Å; L121-Y128 HydrophobicContact CD2-CD2 4.41Å; L121-Y128 HydrophobicContact CD2-CE2 4.26Å
122S95.6Very high96.4Very high75 Ų7570.2 Ų70.252%0.52437%0.37SS..THydrogen-bonded Turntrans-62.3-36.1178.660.80000112.8R117 N118 K119R117-S122 PolarHBondContact O-N 3.47Å; N118-S122 PolarHBondContact O-OG 3.21Å; K119-S122 PolarHBondContact N-OG 3.16Å; K119-S122 PolarHBondContact O-OG 3.22Å; K119-S122 VanDerWaalsContact O-OG 3.13Å
123Q96.6Very high96.5Very high124 Ų12464.6 Ų64.658%0.57935%0.347SS*.THydrogen-bonded Turntrans-90.9-2.3178.4-62.5176.8-23.700113.1K119 L121 L125K119-Q123 WeakPolarHBondContact O-CB 3.4Å; K119-Q123 WeakPolarHBondContact O-CG 3.43Å; K119-Q123 PolarHBondContact O-N 2.88Å; K119-Q123 PolarHBondContact O-OE1 3.37Å; L121-Q123 VanDerWaalsContact C-N 3.3Å; L121-Q123 PolarHBondContact O-N 3.18Å; Q123-L125 HydrophobicContact CB-CD1 4.11Å; Q123-L125 HydrophobicContact CB-CG 3.86Å; Q123-L125 PolarHBondContact O-N 3.41Å; Q123-L125 VanDerWaalsContact OE1-CD1 3.24Å
124G96.6Very high96.6Very high43 Ų4365.8 Ų65.844%0.44335%0.35SS..THydrogen-bonded Turntrans69.716.9-177.100000114.8L120 L121 A126L120-G124 PolarHBondContact O-N 3.34Å; L121-G124 PolarHBondContact O-N 2.9Å; G124-A126 VanDerWaalsContact C-N 3.26Å; G124-A126 PolarHBondContact O-N 2.99Å
125L97.4Very high96.8Very high24 Ų2468.5 Ų68.513%0.12635%0.352CS..SBendtrans-75-16.6178.6-60176.8000112.8T96 Q97 V99 L120 Q123T96-L125 PolarHBondContact N-O 3.41Å; Q97-L125 HydrophobicContact CB-CD2 4.27Å; Q97-L125 PolarHBondContact N-O 3.06Å; V99-L125 HydrophobicContact CG2-CB 4.13Å; V99-L125 HydrophobicContact CG2-CD1 4.07Å; L120-L125 HydrophobicContact CD2-CB 4.18Å; L120-L125 HydrophobicContact CD2-CD1 4.25Å; L120-L125 PolarHBondContact O-N 3.07Å; Q123-L125 HydrophobicContact CB-CD1 4.11Å; Q123-L125 HydrophobicContact CB-CG 3.86Å; Q123-L125 PolarHBondContact O-N 3.41Å; Q123-L125 VanDerWaalsContact OE1-CD1 3.24Å
126A98.1Very high96.9Very high5 Ų570.8 Ų70.84%0.04136%0.362CS..EExtended strand (participates in β ladder)trans-143.9161.3179.500000111.8L93 I94 L95 L120 L121 G124L93-A126 HydrophobicContact CB-CB 4.09Å; L93-A126 HydrophobicContact CD1-CB 4.13Å; I94-A126 CarbonylContact O-C 3.49Å; I94-A126 VanDerWaalsContact O-CA 3.23Å; I94-A126 WeakPolarHBondContact O-CA 3.43Å; I94-A126 WeakPolarHBondContact O-CB 3.47Å; L95-A126 HydrophobicContact CD2-CB 3.96Å; L120-A126 HydrophobicContact CB-CB 3.79Å; L120-A126 HydrophobicContact CD1-CB 4.44Å; L120-A126 PolarHBondContact O-N 3.13Å; L121-A126 WeakPolarHBondContact CD2-O 3.26Å; G124-A126 VanDerWaalsContact C-N 3.26Å; G124-A126 PolarHBondContact O-N 2.99Å
127V98Very high96.9Very high50 Ų5072.2 Ų72.230%0.30337%0.368SS..EExtended strand (participates in β ladder)trans-125.8152.8175.3-175.70000109L93 I94 N133L93-V127 WeakPolarHBondContact CA-O 3.3Å; I94-V127 PolarHBondContact N-O 3.14Å; I94-V127 PolarHBondContact O-N 2.82Å; V127-N133 WeakPolarHBondContact CG1-ND2 3.22Å
128Y98.1Very high96.9Very high125 Ų12571.5 Ų71.549%0.4937%0.37SS..EExtended strand (participates in β ladder)trans-59.3140.1173-71-70.4000111.9L91 L93 L121 S130 N133L91-Y128 HydrophobicContact CD1-CE1 4.42Å; L91-Y128 HydrophobicContact CD2-CE1 4.36Å; L93-Y128 HydrophobicContact CD2-CD1 3.79Å; L93-Y128 HydrophobicContact CD2-CE1 4.24Å; L93-Y128 HydrophobicContact CD2-CG 4.41Å; L121-Y128 HydrophobicContact CD1-CE1 3.71Å; L121-Y128 HydrophobicContact CD1-CE2 4.06Å; L121-Y128 VanDerWaalsContact CD1-CZ 3.44Å; L121-Y128 WeakPolarHBondContact CD1-OH 3.34Å; L121-Y128 HydrophobicContact CD2-CD2 4.41Å; L121-Y128 HydrophobicContact CD2-CE2 4.26Å; Y128-S130 PolarHBondContact O-N 3.2Å; Y128-N133 PolarHBondContact O-ND2 2.8Å
129A97.6Very high97Very high17 Ų1771.6 Ų71.614%0.1437%0.367CS..  trans-76.952.9178.600000112.8E92 I94 R134E92-A129 HydrophobicContact CB-CB 4.19Å; I94-A129 HydrophobicContact CD1-CB 4.36Å; I94-A129 HydrophobicContact CG1-CB 4.08Å; A129-R134 PolarHBondContact O-NE 2.88Å; A129-R134 PolarHBondContact O-NH2 2.8Å
130S97.8Very high97Very high34 Ų3468.8 Ų68.824%0.23836%0.356CS..  trans-67.1155.8173.475.20000111Y128 E132 N133 R134Y128-S130 PolarHBondContact O-N 3.2Å; S130-E132 PolarHBondContact O-N 3.06Å; S130-N133 PolarHBondContact O-N 3Å; S130-N133 WeakPolarHBondContact OG-CB 3.15Å; S130-N133 PolarHBondContact OG-N 3.23Å; S130-N133 VanDerWaalsContact OG-N 3.16Å; S130-N133 PolarHBondContact OG-ND2 2.98Å; S130-R134 WeakPolarHBondContact O-CG 3.42Å; S130-R134 PolarHBondContact O-N 2.81Å
131P98Very high96.8Very high97 Ų9774.5 Ų74.563%0.6338%0.38SS*.Hα-helixtrans-60.7-32.1179.124.3-34.5000112.8K135P131-K135 WeakPolarHBondContact O-CG 3.35Å; P131-K135 PolarHBondContact O-N 2.79Å
132E97.8Very high96.7Very high145 Ų14574.3 Ų74.368%0.67838%0.382SS*.Hα-helixtrans-66.5-49.3175.1-64.7171.9-174.800111.2S130 R134 K135 L136S130-E132 PolarHBondContact O-N 3.06Å; E132-R134 VanDerWaalsContact C-N 3.33Å; E132-R134 PolarHBondContact O-N 2.84Å; E132-K135 PolarHBondContact O-N 2.75Å; E132-L136 WeakPolarHBondContact O-CG 3.44Å; E132-L136 PolarHBondContact O-N 3.13Å; E132-L136 VanDerWaalsContact O-N 3.16Å
133N97.4Very high96.7Very high37 Ų3774 Ų7420%0.19837%0.374CS..Hα-helixtrans-65-38.1179.6-67.7-26.7000111.8I94 V127 Y128 S130 K135 L136 F137I94-N133 HydrophobicContact CD1-CB 4.29Å; V127-N133 WeakPolarHBondContact CG1-ND2 3.22Å; Y128-N133 PolarHBondContact O-ND2 2.8Å; S130-N133 PolarHBondContact O-N 3Å; S130-N133 WeakPolarHBondContact OG-CB 3.15Å; S130-N133 PolarHBondContact OG-N 3.23Å; S130-N133 VanDerWaalsContact OG-N 3.16Å; S130-N133 PolarHBondContact OG-ND2 2.98Å; N133-K135 VanDerWaalsContact C-N 3.32Å; N133-K135 PolarHBondContact O-N 2.89Å; N133-L136 PolarHBondContact O-N 2.83Å; N133-F137 VanDerWaalsContact O-CD2 3.28Å; N133-F137 WeakPolarHBondContact O-CD2 3.43Å; N133-F137 PolarHBondContact O-N 3.01Å
134R97.3Very high96.5Very high90 Ų9070.1 Ų70.134%0.3435%0.354SS..Hα-helixtrans-56.2-47.4175.2-73176.3-169.6-143.6-5.9111.1E92 I94 A129 S130 E132 L136 F137 E138E92-R134 IonicContact OE2-NH2 3.81Å; E92-R134 PolarHBondContact OE2-NH2 2.88Å; I94-R134 HydrophobicContact CD1-CG 3.96Å; A129-R134 PolarHBondContact O-NE 2.88Å; A129-R134 PolarHBondContact O-NH2 2.8Å; S130-R134 WeakPolarHBondContact O-CG 3.42Å; S130-R134 PolarHBondContact O-N 2.81Å; E132-R134 VanDerWaalsContact C-N 3.33Å; E132-R134 PolarHBondContact O-N 2.84Å; R134-L136 PolarHBondContact O-N 3.45Å; R134-F137 PolarHBondContact O-N 3.36Å; R134-E138 WeakPolarHBondContact O-CB 3.47Å; R134-E138 WeakPolarHBondContact O-CG 3.45Å; R134-E138 PolarHBondContact O-N 2.77Å
135K97.6Very high96.3Very high131 Ų13177.1 Ų77.157%0.5737%0.368SS*.Hα-helixtrans-59.3-47.3176.8-70.1175.8178.7-174.80112.2P131 E132 N133 F137 E138 E139P131-K135 WeakPolarHBondContact O-CG 3.35Å; P131-K135 PolarHBondContact O-N 2.79Å; E132-K135 PolarHBondContact O-N 2.75Å; N133-K135 VanDerWaalsContact C-N 3.32Å; N133-K135 PolarHBondContact O-N 2.89Å; K135-F137 PolarHBondContact O-N 3.07Å; K135-E138 PolarHBondContact O-N 3.1Å; K135-E139 WeakPolarHBondContact O-CG 3.34Å; K135-E139 PolarHBondContact O-N 2.81Å
136L96.4Very high96.1Very high106 Ų10681.7 Ų81.756%0.55539%0.388SS*.Hα-helixtrans-58.8-45.3179.2-65175.5000112.3E132 N133 R134 E140E132-L136 WeakPolarHBondContact O-CG 3.44Å; E132-L136 PolarHBondContact O-N 3.13Å; E132-L136 VanDerWaalsContact O-N 3.16Å; N133-L136 PolarHBondContact O-N 2.83Å; R134-L136 PolarHBondContact O-N 3.45Å; L136-E140 WeakPolarHBondContact O-CB 3.46Å; L136-E140 PolarHBondContact O-N 2.69Å
137F96.2Very high95.8Very high30 Ų3083.9 Ų83.913%0.13241%0.412CS..Hα-helixtrans-74.3-28.5179-79.8-78000113I94 N133 R134 K135 E140 K141I94-F137 HydrophobicContact CB-CD2 4.27Å; I94-F137 HydrophobicContact CB-CE2 4.3Å; I94-F137 HydrophobicContact CD1-CD2 4Å; I94-F137 HydrophobicContact CG2-CB 4.3Å; I94-F137 HydrophobicContact CG2-CD1 3.98Å; I94-F137 HydrophobicContact CG2-CD2 3.56Å; I94-F137 HydrophobicContact CG2-CE1 4.13Å; I94-F137 HydrophobicContact CG2-CE2 3.75Å; I94-F137 HydrophobicContact CG2-CG 3.69Å; I94-F137 HydrophobicContact CG2-CZ 4.02Å; N133-F137 VanDerWaalsContact O-CD2 3.28Å; N133-F137 WeakPolarHBondContact O-CD2 3.43Å; N133-F137 PolarHBondContact O-N 3.01Å; R134-F137 PolarHBondContact O-N 3.36Å; K135-F137 PolarHBondContact O-N 3.07Å; F137-E140 WeakPolarHBondContact CD1-OE2 3.38Å; F137-K141 WeakPolarHBondContact O-CB 3.38Å; F137-K141 PolarHBondContact O-N 3.22Å
138E96.1Very high95.5Very high116 Ų11688.5 Ų88.554%0.54243%0.428SS..Hα-helixtrans-68-42.2172.5-77.6168.3-16600112.1R134 K135 K141 S142R134-E138 WeakPolarHBondContact O-CB 3.47Å; R134-E138 WeakPolarHBondContact O-CG 3.45Å; R134-E138 PolarHBondContact O-N 2.77Å; K135-E138 PolarHBondContact O-N 3.1Å; E138-K141 PolarHBondContact O-N 2.81Å; E138-S142 WeakPolarHBondContact O-CB 3.29Å; E138-S142 PolarHBondContact O-N 2.94Å; E138-S142 PolarHBondContact O-OG 3.44Å
139E96Very high95.2Very high120 Ų12085.9 Ų85.956%0.56142%0.422SS*.Hα-helixtrans-61.1-49.6171.8-73172.4-166.900110.4K135 K141 S142 L143K135-E139 WeakPolarHBondContact O-CG 3.34Å; K135-E139 PolarHBondContact O-N 2.81Å; E139-K141 VanDerWaalsContact C-N 3.33Å; E139-K141 PolarHBondContact O-N 2.8Å; E139-S142 WeakPolarHBondContact O-CA 3.48Å; E139-S142 WeakPolarHBondContact O-CB 3.48Å; E139-S142 PolarHBondContact O-N 3.48Å; E139-L143 WeakPolarHBondContact O-CG 3.31Å; E139-L143 PolarHBondContact O-N 3.43Å
140E94.8Very high94.8Very high36 Ų3693.5 Ų93.517%0.16845%0.454CS..Hα-helixtrans-59.2-42.3177.4-164.2-166.1-161.100112.2R105 L136 F137 S142 L143 R144 L149R105-E140 IonicContact CZ-OE1 3.36Å; R105-E140 IonicContact NE-OE1 2.66Å; R105-E140 PolarHBondContact NE-OE1 2.9Å; R105-E140 IonicContact NE-OE2 3.32Å; R105-E140 IonicContact NH2-OE1 3.28Å; R105-E140 PolarHBondContact NH2-OE1 3.46Å; R105-E140 IonicContact NH2-OE2 3.44Å; L136-E140 WeakPolarHBondContact O-CB 3.46Å; L136-E140 PolarHBondContact O-N 2.69Å; F137-E140 WeakPolarHBondContact CD1-OE2 3.38Å; E140-S142 VanDerWaalsContact C-N 3.28Å; E140-S142 PolarHBondContact O-N 3.34Å; E140-L143 PolarHBondContact O-N 2.84Å; E140-R144 VanDerWaalsContact CD-CZ 3.45Å; E140-R144 PolarHBondContact O-N 3.41Å; E140-R144 IonicContact OE1-CZ 3.58Å; E140-R144 IonicContact OE1-NH1 2.83Å; E140-R144 IonicContact OE1-NH2 3.62Å; E140-R144 PolarHBondContact OE1-NH2 3.47Å; E140-R144 IonicContact OE2-CZ 2.72Å; E140-R144 IonicContact OE2-NH1 2.69Å; E140-R144 PolarHBondContact OE2-NH1 3.33Å; E140-R144 IonicContact OE2-NH2 3.54Å; E140-R144 PolarHBondContact OE2-NH2 3.24Å; E140-L149 HydrophobicContact CG-CD1 3.84Å
141K93.3Very high94.5Very high120 Ų12099.4 Ų99.452%0.52248%0.476SS..Hα-helixtrans-64.3-34175.3-173.3173.9-174.4171.10111.9F137 E138 E139 R145F137-K141 WeakPolarHBondContact O-CB 3.38Å; F137-K141 PolarHBondContact O-N 3.22Å; E138-K141 PolarHBondContact O-N 2.81Å; E139-K141 VanDerWaalsContact C-N 3.33Å; E139-K141 PolarHBondContact O-N 2.8Å; K141-R145 WeakPolarHBondContact O-CG 3.27Å; K141-R145 PolarHBondContact O-N 3.17Å
142S94.1Very high94.1Very high36 Ų3697.8 Ų97.825%0.25246%0.461SS..Hα-helixtrans-70.4-44.7175.9-59.60000111.3E138 E139 E140 R144 R145 E146E138-S142 WeakPolarHBondContact O-CB 3.29Å; E138-S142 PolarHBondContact O-N 2.94Å; E138-S142 PolarHBondContact O-OG 3.44Å; E139-S142 WeakPolarHBondContact O-CA 3.48Å; E139-S142 WeakPolarHBondContact O-CB 3.48Å; E139-S142 PolarHBondContact O-N 3.48Å; E140-S142 VanDerWaalsContact C-N 3.28Å; E140-S142 PolarHBondContact O-N 3.34Å; S142-R144 VanDerWaalsContact C-N 3.29Å; S142-R144 PolarHBondContact O-N 3.04Å; S142-R145 WeakPolarHBondContact O-CB 3.35Å; S142-R145 PolarHBondContact O-N 3.34Å; S142-R145 PolarHBondContact OG-NH2 3.25Å; S142-E146 WeakPolarHBondContact O-CG 3.44Å; S142-E146 PolarHBondContact O-N 2.77Å
143L95.2Very high93.7Very high68 Ų6891.5 Ų91.536%0.35643%0.432SS..Hα-helixtrans-59.7-36.7174.1-65.9174.1000112.9E139 E140 E146 G147 K148 L149E139-L143 WeakPolarHBondContact O-CG 3.31Å; E139-L143 PolarHBondContact O-N 3.43Å; E140-L143 PolarHBondContact O-N 2.84Å; L143-E146 PolarHBondContact O-N 3.07Å; L143-G147 PolarHBondContact O-N 3.45Å; L143-K148 HydrophobicContact CD2-CD 3.78Å; L143-K148 PolarHBondContact O-N 2.77Å; L143-K148 VanDerWaalsContact O-N 3.1Å; L143-L149 HydrophobicContact CB-CD1 3.75Å; L143-L149 HydrophobicContact CB-CG 4.1Å; L143-L149 HydrophobicContact CD1-CD1 4.39Å
144R93Very high93.5Very high42 Ų4294 Ų9416%0.15845%0.448CS..Hα-helixtrans-64.9-40.2172.3-76.5-177.6-175.7105.210.7113.1E140 S142 E146 G147 L149 I152E140-R144 VanDerWaalsContact CD-CZ 3.45Å; E140-R144 PolarHBondContact O-N 3.41Å; E140-R144 IonicContact OE1-CZ 3.58Å; E140-R144 IonicContact OE1-NH1 2.83Å; E140-R144 IonicContact OE1-NH2 3.62Å; E140-R144 PolarHBondContact OE1-NH2 3.47Å; E140-R144 IonicContact OE2-CZ 2.72Å; E140-R144 IonicContact OE2-NH1 2.69Å; E140-R144 PolarHBondContact OE2-NH1 3.33Å; E140-R144 IonicContact OE2-NH2 3.54Å; E140-R144 PolarHBondContact OE2-NH2 3.24Å; S142-R144 VanDerWaalsContact C-N 3.29Å; S142-R144 PolarHBondContact O-N 3.04Å; R144-E146 VanDerWaalsContact C-N 3.31Å; R144-G147 PolarHBondContact O-N 3.33Å; R144-G147 VanDerWaalsContact O-N 3.08Å; R144-L149 HydrophobicContact CB-CB 4.46Å; R144-L149 HydrophobicContact CG-CB 3.62Å; R144-L149 HydrophobicContact CG-CD1 4.07Å; R144-L149 HydrophobicContact CG-CG 4.49Å; R144-I152 VanDerWaalsContact CZ-CD1 3.45Å
145R91.2Very high93.1Very high191 Ų19194.4 Ų94.472%0.72145%0.452SS*.Hα-helixtrans-66.5-35.1177.5-73.8-176.1-65.9162.21.5111.9K141 S142 G147K141-R145 WeakPolarHBondContact O-CG 3.27Å; K141-R145 PolarHBondContact O-N 3.17Å; S142-R145 WeakPolarHBondContact O-CB 3.35Å; S142-R145 PolarHBondContact O-N 3.34Å; S142-R145 PolarHBondContact OG-NH2 3.25Å; R145-G147 PolarHBondContact O-N 3.38Å
146E94.5Very high92.8Very high119 Ų11991.2 Ų91.256%0.55645%0.451SS*.THydrogen-bonded Turntrans-69.4-12.2172.5-68.1174.1-166.800113.1S142 L143 R144 K148S142-E146 WeakPolarHBondContact O-CG 3.44Å; S142-E146 PolarHBondContact O-N 2.77Å; L143-E146 PolarHBondContact O-N 3.07Å; R144-E146 VanDerWaalsContact C-N 3.31Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 HydrophobicContact CB-CD 4.47Å; E146-K148 HydrophobicContact CB-CG 4.34Å; E146-K148 WeakPolarHBondContact OE2-CD 3.41Å; E146-K148 WeakPolarHBondContact OE2-CE 3.41Å; E146-K148 IonicContact OE2-NZ 2.84Å; E146-K148 PolarHBondContact OE2-NZ 3.41Å
147G91.3Very high92.7Very high52 Ų5286.3 Ų86.354%0.53643%0.426SS..THydrogen-bonded Turntrans78.711.2-178.400000114.3L143 R144 R145 L149L143-G147 PolarHBondContact O-N 3.45Å; R144-G147 PolarHBondContact O-N 3.33Å; R144-G147 VanDerWaalsContact O-N 3.08Å; R145-G147 PolarHBondContact O-N 3.38Å; G147-L149 VanDerWaalsContact C-N 3.28Å
148K92.7Very high92.5Very high147 Ų14787.2 Ų87.264%0.63943%0.43SS*.SBendtrans-73.1-23.6174.2-68.8174.6178.1160.40112.5L143 E146L143-K148 HydrophobicContact CD2-CD 3.78Å; L143-K148 PolarHBondContact O-N 2.77Å; L143-K148 VanDerWaalsContact O-N 3.1Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 HydrophobicContact CB-CD 4.47Å; E146-K148 HydrophobicContact CB-CG 4.34Å; E146-K148 WeakPolarHBondContact OE2-CD 3.41Å; E146-K148 WeakPolarHBondContact OE2-CE 3.41Å; E146-K148 IonicContact OE2-NZ 2.84Å; E146-K148 PolarHBondContact OE2-NZ 3.41Å
149L90.2Very high92.3Very high70 Ų7084.5 Ų84.537%0.36643%0.428SS..SBendtrans-118.2156.3178.3-67.2176.9000110.4E140 L143 R144 G147E140-L149 HydrophobicContact CG-CD1 3.84Å; L143-L149 HydrophobicContact CB-CD1 3.75Å; L143-L149 HydrophobicContact CB-CG 4.1Å; L143-L149 HydrophobicContact CD1-CD1 4.39Å; R144-L149 HydrophobicContact CB-CB 4.46Å; R144-L149 HydrophobicContact CG-CB 3.62Å; R144-L149 HydrophobicContact CG-CD1 4.07Å; R144-L149 HydrophobicContact CG-CG 4.49Å; G147-L149 VanDerWaalsContact C-N 3.28Å
150E90.6Very high92.2Very high177 Ų17781.1 Ų81.183%0.82742%0.416SS*.PPolyproline II helixtrans-57.5138177.9-64.5-179.9171.800111.7I152E150-I152 PolarHBondContact O-N 3.11Å
151K90.7Very high92.2Very high158 Ų15879.7 Ų79.769%0.68741%0.409SS*.PPolyproline II helixtrans-71.9127.5175.7-67.6-179.7-177.6176.70108.7L225K151-L225 HydrophobicContact CB-CD1 4.04Å; K151-L225 HydrophobicContact CB-CD2 3.92Å; K151-L225 WeakPolarHBondContact O-CD1 3.19Å
152I90.5Very high92.2Very high62 Ų6279.3 Ų79.332%0.31841%0.408SS..PPolyproline II helixtrans-94146175.2-52.8-176.6000108.4V104 R105 R144 E150V104-I152 HydrophobicContact CG1-CB 4.31Å; V104-I152 HydrophobicContact CG1-CG2 3.34Å; R105-I152 HydrophobicContact CB-CD1 3.95Å; R105-I152 HydrophobicContact CG-CD1 4.03Å; R144-I152 VanDerWaalsContact CZ-CD1 3.45Å; E150-I152 PolarHBondContact O-N 3.11Å
153Q89.1Confident92.2Very high14 Ų1481.7 Ų81.77%0.06541%0.414CS..PPolyproline II helixtrans-59.7148.7173-76.1-70.1700111.9V104 E158 V222 N223 L225 D226V104-Q153 VanDerWaalsContact CG1-O 3.27Å; V104-Q153 WeakPolarHBondContact CG1-O 3.44Å; V104-Q153 WeakPolarHBondContact CG2-O 3.42Å; Q153-E158 HydrophobicContact CB-CG 3.69Å; Q153-V222 PolarHBondContact NE2-O 3.32Å; Q153-N223 PolarHBondContact OE1-ND2 3.35Å; Q153-L225 HydrophobicContact CG-CD1 4.13Å; Q153-D226 WeakPolarHBondContact CG-OD2 3.27Å; Q153-D226 VanDerWaalsContact NE2-CG 3.33Å; Q153-D226 PolarHBondContact NE2-OD2 2.84Å
154T91.9Very high92.2Very high88 Ų8878.5 Ų78.554%0.5440%0.397SS..PPolyproline II helixtrans-78.1154.2170-54.90000109.6A156 G157 E158T154-A156 HydrophobicContact CG2-CB 4.43Å; T154-A156 PolarHBondContact O-N 2.96Å; T154-A156 VanDerWaalsContact O-N 3.15Å; T154-G157 CarbonylContact O-C 3.6Å; T154-G157 VanDerWaalsContact O-CA 3.29Å; T154-G157 WeakPolarHBondContact O-CA 3.17Å; T154-G157 PolarHBondContact O-N 2.82Å; T154-E158 PolarHBondContact O-N 3.15Å
155K90.6Very high92.3Very high99 Ų9985 Ų8543%0.4342%0.422SS..Hα-helixtrans-49.1-43.3173.9-177.5176.7-178.2164.70112.7E101 I102 V104 G157 A159E101-K155 VanDerWaalsContact O-CE 3.26Å; E101-K155 WeakPolarHBondContact O-CE 3.44Å; E101-K155 PolarHBondContact O-NZ 3.11Å; I102-K155 PolarHBondContact O-NZ 2.95Å; V104-K155 HydrophobicContact CG2-CB 4.05Å; V104-K155 VanDerWaalsContact CG2-N 3.3Å; K155-G157 VanDerWaalsContact C-N 3.34Å; K155-A159 WeakPolarHBondContact O-CB 3.43Å; K155-A159 PolarHBondContact O-N 3.1Å; K155-A159 VanDerWaalsContact O-N 3.11Å
156A91.5Very high92.4Very high64 Ų6480.4 Ų80.453%0.52942%0.419SS..Hα-helixtrans-66.8-34.8175.800000112.6T154 T160T154-A156 HydrophobicContact CG2-CB 4.43Å; T154-A156 PolarHBondContact O-N 2.96Å; T154-A156 VanDerWaalsContact O-N 3.15Å; A156-T160 WeakPolarHBondContact O-CB 3.35Å; A156-T160 PolarHBondContact O-N 3.3Å; A156-T160 PolarHBondContact O-OG1 2.95Å
157G92.6Very high92.4Very high4 Ų475.4 Ų75.44%0.04140%0.397CS..Hα-helixtrans-64.3-49.8175.500000111.7T154 K155 A159 T160 V161T154-G157 CarbonylContact O-C 3.6Å; T154-G157 VanDerWaalsContact O-CA 3.29Å; T154-G157 WeakPolarHBondContact O-CA 3.17Å; T154-G157 PolarHBondContact O-N 2.82Å; K155-G157 VanDerWaalsContact C-N 3.34Å; G157-A159 VanDerWaalsContact C-N 3.33Å; G157-A159 PolarHBondContact O-N 2.86Å; G157-T160 WeakPolarHBondContact O-CB 3.47Å; G157-T160 PolarHBondContact O-N 2.84Å; G157-T160 VanDerWaalsContact O-N 3.11Å; G157-V161 WeakPolarHBondContact O-CG2 3.35Å; G157-V161 PolarHBondContact O-N 3.45Å
158E92.2Very high92.6Very high48 Ų4877.2 Ų77.222%0.22439%0.391CS..Hα-helixtrans-59.9-43176.5-64.7-177.3159.600111.8S98 Q153 T154 T160 V161 K162S98-E158 WeakPolarHBondContact CB-OE1 3.49Å; S98-E158 PolarHBondContact OG-OE1 3.02Å; Q153-E158 HydrophobicContact CB-CG 3.69Å; T154-E158 PolarHBondContact O-N 3.15Å; E158-T160 VanDerWaalsContact C-N 3.33Å; E158-T160 PolarHBondContact O-N 2.99Å; E158-V161 PolarHBondContact O-N 3.43Å; E158-K162 WeakPolarHBondContact O-CB 3.26Å; E158-K162 PolarHBondContact O-N 3.05Å
159A92.7Very high92.8Very high59 Ų5970.2 Ų70.249%0.48836%0.36SS..Hα-helixtrans-62-40.9174.700000112.2K155 G157 K162 F163K155-A159 WeakPolarHBondContact O-CB 3.43Å; K155-A159 PolarHBondContact O-N 3.1Å; K155-A159 VanDerWaalsContact O-N 3.11Å; G157-A159 VanDerWaalsContact C-N 3.33Å; G157-A159 PolarHBondContact O-N 2.86Å; A159-K162 PolarHBondContact O-N 3.08Å; A159-F163 WeakPolarHBondContact O-CB 3.45Å; A159-F163 PolarHBondContact O-N 3.32Å
160T93.4Very high93.1Very high50 Ų5071.2 Ų71.231%0.30736%0.363SS..Hα-helixtrans-65.4-44.3176.7-57.30000110.9A156 G157 E158 K162 F163 L164 V222A156-T160 WeakPolarHBondContact O-CB 3.35Å; A156-T160 PolarHBondContact O-N 3.3Å; A156-T160 PolarHBondContact O-OG1 2.95Å; G157-T160 WeakPolarHBondContact O-CB 3.47Å; G157-T160 PolarHBondContact O-N 2.84Å; G157-T160 VanDerWaalsContact O-N 3.11Å; E158-T160 VanDerWaalsContact C-N 3.33Å; E158-T160 PolarHBondContact O-N 2.99Å; T160-K162 VanDerWaalsContact C-N 3.34Å; T160-K162 PolarHBondContact O-N 2.85Å; T160-F163 PolarHBondContact O-N 3.01Å; T160-L164 HydrophobicContact CG2-CD1 3.96Å; T160-L164 HydrophobicContact CG2-CG 4.23Å; T160-L164 WeakPolarHBondContact O-CB 3.48Å; T160-L164 VanDerWaalsContact O-CG 3.27Å; T160-L164 WeakPolarHBondContact O-CG 3.49Å; T160-L164 PolarHBondContact O-N 3.03Å; T160-V222 HydrophobicContact CG2-CG2 4.41Å
161V93.9Very high93.3Very high6 Ų662.8 Ų62.84%0.03632%0.324CS..Hα-helixtrans-58.4-46.5175.7167.10000110.7G157 E158 F163 L164 R165 V222 D226 V228G157-V161 WeakPolarHBondContact O-CG2 3.35Å; G157-V161 PolarHBondContact O-N 3.45Å; E158-V161 PolarHBondContact O-N 3.43Å; V161-F163 PolarHBondContact O-N 3.46Å; V161-L164 PolarHBondContact O-N 3.07Å; V161-R165 WeakPolarHBondContact O-CG 3.49Å; V161-R165 PolarHBondContact O-N 2.99Å; V161-V222 HydrophobicContact CG2-CB 3.89Å; V161-V222 HydrophobicContact CG2-CG1 4.16Å; V161-V222 HydrophobicContact CG2-CG2 3.79Å; V161-D226 HydrophobicContact CG2-CB 3.93Å; V161-V228 HydrophobicContact CB-CG2 4.23Å; V161-V228 HydrophobicContact CG1-CG2 3.77Å; V161-V228 HydrophobicContact CG2-CG2 4.12Å
162K93.7Very high93.5Very high112 Ų11256 Ų5649%0.48730%0.299SS..Hα-helixtrans-60.9-44.2177-172172.6-175.6169.30111.7D100 E158 A159 T160 R165 S166D100-K162 IonicContact OD2-NZ 3.54Å; D100-K162 PolarHBondContact OD2-NZ 3.18Å; E158-K162 WeakPolarHBondContact O-CB 3.26Å; E158-K162 PolarHBondContact O-N 3.05Å; A159-K162 PolarHBondContact O-N 3.08Å; T160-K162 VanDerWaalsContact C-N 3.34Å; T160-K162 PolarHBondContact O-N 2.85Å; K162-R165 PolarHBondContact O-N 2.93Å; K162-S166 PolarHBondContact O-N 3.11Å
163F94.5Very high93.7Very high86 Ų8654 Ų5438%0.37729%0.288SS..Hα-helixtrans-61.8-49.2176.6179.2-99.8000111.8A159 T160 V161 R165 S166 C167 L194 V196A159-F163 WeakPolarHBondContact O-CB 3.45Å; A159-F163 PolarHBondContact O-N 3.32Å; T160-F163 PolarHBondContact O-N 3.01Å; V161-F163 PolarHBondContact O-N 3.46Å; F163-R165 VanDerWaalsContact C-N 3.3Å; F163-R165 PolarHBondContact O-N 3.19Å; F163-S166 PolarHBondContact O-N 2.94Å; F163-S166 PolarHBondContact O-OG 3.33Å; F163-C167 WeakPolarHBondContact CE1-SG 3.21Å; F163-C167 WeakPolarHBondContact CZ-SG 3.05Å; F163-C167 PolarHBondContact O-N 2.95Å; F163-C167 PolarHBondContact O-SG 2.69Å; F163-L194 HydrophobicContact CE1-CB 4.39Å; F163-V196 HydrophobicContact CD1-CG2 3.9Å; F163-V196 HydrophobicContact CE1-CG2 3.41Å; F163-V196 VanDerWaalsContact CE1-CG2 3.41Å; F163-V196 HydrophobicContact CZ-CG2 4.37Å
164L95.5Very high93.9Very high1 Ų159.3 Ų59.31%0.00531%0.311CS..Hα-helixtrans-60.8-37.3-179.7-71174.5000112.3T160 V161 S166 C167 F190 V220 V222 V228 V230T160-L164 HydrophobicContact CG2-CD1 3.96Å; T160-L164 HydrophobicContact CG2-CG 4.23Å; T160-L164 WeakPolarHBondContact O-CB 3.48Å; T160-L164 VanDerWaalsContact O-CG 3.27Å; T160-L164 WeakPolarHBondContact O-CG 3.49Å; T160-L164 PolarHBondContact O-N 3.03Å; V161-L164 PolarHBondContact O-N 3.07Å; L164-S166 VanDerWaalsContact C-N 3.26Å; L164-S166 PolarHBondContact O-N 3.16Å; L164-C167 PolarHBondContact O-N 2.84Å; L164-F190 HydrophobicContact CD2-CE1 3.94Å; L164-V220 HydrophobicContact CD1-CB 4.15Å; L164-V220 HydrophobicContact CD1-CG1 3.81Å; L164-V222 HydrophobicContact CD1-CG2 3.87Å; L164-V228 HydrophobicContact CB-CB 4.33Å; L164-V228 HydrophobicContact CB-CG1 3.86Å; L164-V230 HydrophobicContact CB-CG2 4.18Å; L164-V230 HydrophobicContact CD2-CG2 4.37Å
165R94.9Very high93.9Very high178 Ų17859.9 Ų59.967%0.67231%0.311SS*.Hα-helixtrans-62.1-31.2175.5-74.8175.5-176.71643.6113.4V161 K162 F163 V228V161-R165 WeakPolarHBondContact O-CG 3.49Å; V161-R165 PolarHBondContact O-N 2.99Å; K162-R165 PolarHBondContact O-N 2.93Å; F163-R165 VanDerWaalsContact C-N 3.3Å; F163-R165 PolarHBondContact O-N 3.19Å; R165-V228 HydrophobicContact CG-CG1 3.78Å
166S94.5Very high93.8Very high95 Ų9562.7 Ų62.766%0.66433%0.331SS*.Hα-helixtrans-87.8-8.2177.4610000114.3K162 F163 L164K162-S166 PolarHBondContact O-N 3.11Å; F163-S166 PolarHBondContact O-N 2.94Å; F163-S166 PolarHBondContact O-OG 3.33Å; L164-S166 VanDerWaalsContact C-N 3.26Å; L164-S166 PolarHBondContact O-N 3.16Å
167C93.6Very high93.8Very high13 Ų1363.8 Ų63.89%0.08833%0.33CS..  trans-90.6152.9-172.1-75.60000112.8F163 L164 L194 P231F163-C167 WeakPolarHBondContact CE1-SG 3.21Å; F163-C167 WeakPolarHBondContact CZ-SG 3.05Å; F163-C167 PolarHBondContact O-N 2.95Å; F163-C167 PolarHBondContact O-SG 2.69Å; L164-C167 PolarHBondContact O-N 2.84Å; C167-L194 HydrophobicContact CB-CD1 3.93Å; C167-L194 HydrophobicContact CB-CD2 4.32Å; C167-P231 WeakPolarHBondContact O-CD 3.45Å; C167-P231 WeakPolarHBondContact O-CG 3.3Å
168H95.5Very high93.8Very high90 Ų9073.8 Ų73.842%0.41737%0.373SS..  trans-128.1129.3168169.8-79000109.1P231 S233H168-P231 HydrophobicContact CB-CG 4.3Å; H168-S233 PolarHBondContact CE1-OG 3.35Å
169L96.4Very high93.9Very high0 Ų072.9 Ų72.90%037%0.367CS..EExtended strand (participates in β ladder)trans-99.1121.3-174.1-177.369.8000112V171 V186 H189 F190 L194 V230 P231 M232 S233L169-V171 HydrophobicContact CD2-CG2 3.86Å; L169-V171 HydrophobicContact CG-CG2 4Å; L169-V186 HydrophobicContact CD2-CG1 3.7Å; L169-H189 HydrophobicContact CD1-CB 4.21Å; L169-F190 HydrophobicContact CD1-CD1 4.33Å; L169-F190 HydrophobicContact CD1-CG 4.3Å; L169-F190 HydrophobicContact CD2-CD2 3.94Å; L169-F190 HydrophobicContact CD2-CE1 4.48Å; L169-F190 HydrophobicContact CD2-CE2 3.66Å; L169-F190 HydrophobicContact CD2-CG 4.46Å; L169-F190 HydrophobicContact CD2-CZ 3.95Å; L169-L194 HydrophobicContact CD1-CD1 4.09Å; L169-L194 HydrophobicContact CD1-CG 4.44Å; L169-V230 HydrophobicContact CB-CG1 4.42Å; L169-P231 PolarHBondContact N-O 3.05Å; L169-M232 HydrophobicContact CB-CB 4.4Å; L169-M232 HydrophobicContact CD2-CG 4.35Å; L169-M232 HydrophobicContact CD2-SD 4.24Å; L169-M232 CarbonylContact O-C 3.34Å; L169-M232 VanDerWaalsContact O-CA 3.26Å; L169-M232 WeakPolarHBondContact O-CA 3.17Å; L169-S233 PolarHBondContact O-N 3.36Å
170E95.8Very high93.9Very high91 Ų9176.1 Ų76.143%0.42537%0.372SS..EExtended strand (participates in β ladder)trans-95.6110.7171.5-65.9-172.3170.900112.6H189 N193 S233E170-H189 PolarHBondContact O-ND1 2.99Å; E170-N193 PolarHBondContact O-ND2 3.18Å; E170-S233 CarbonylContact C-O 3.59Å
171V96.1Very high94Very high0 Ų074.3 Ų74.30%036%0.361CS..EExtended strand (participates in β ladder)trans-98.8109.5177-179.80000110.3L169 M173 L181 I185 H189 M232 S233 V234 V235L169-V171 HydrophobicContact CD2-CG2 3.86Å; L169-V171 HydrophobicContact CG-CG2 4Å; V171-M173 HydrophobicContact CG1-CE 3.46Å; V171-M173 VanDerWaalsContact CG1-CE 3.46Å; V171-M173 HydrophobicContact CG1-CG 4.27Å; V171-L181 HydrophobicContact CG1-CD1 3.78Å; V171-I185 HydrophobicContact CG1-CG2 4.46Å; V171-H189 HydrophobicContact CG2-CB 4.14Å; V171-M232 HydrophobicContact CG2-CG 3.84Å; V171-M232 HydrophobicContact CG2-SD 3.65Å; V171-S233 PolarHBondContact N-O 2.91Å; V171-V234 HydrophobicContact CB-CG2 4.31Å; V171-V234 CarbonylContact O-C 3.57Å; V171-V234 WeakPolarHBondContact O-CA 3.16Å; V171-V235 PolarHBondContact O-N 3.1Å
172G94.6Very high94Very high15 Ų1578 Ų7816%0.15538%0.381CS..EExtended strand (participates in β ladder)trans-90.6105.9-177.800000113.3H189 V235G172-H189 PolarHBondContact N-CE1 3.04Å; G172-H189 VanDerWaalsContact N-CE1 3.31Å; G172-V235 CarbonylContact C-O 3.51Å; G172-V235 WeakPolarHBondContact CA-O 3.4Å
173M95.2Very high94.1Very high21 Ų2174.9 Ų74.910%0.10337%0.372CS..EExtended strand (participates in β ladder)trans-108.6142.8178.5-69.6-60.5123.500113.3V171 W179 I185 V234 V235 F237V171-M173 HydrophobicContact CG1-CE 3.46Å; V171-M173 VanDerWaalsContact CG1-CE 3.46Å; V171-M173 HydrophobicContact CG1-CG 4.27Å; M173-W179 HydrophobicContact CB-CD2 3.71Å; M173-W179 HydrophobicContact CB-CE3 4.26Å; M173-W179 HydrophobicContact CB-CG 4.09Å; M173-W179 HydrophobicContact CB-CH2 4.27Å; M173-W179 HydrophobicContact CB-CZ2 3.72Å; M173-W179 HydrophobicContact CG-CD2 3.7Å; M173-W179 HydrophobicContact CG-CE3 3.79Å; M173-W179 HydrophobicContact CG-CG 4.2Å; M173-W179 HydrophobicContact CG-CH2 4.25Å; M173-W179 HydrophobicContact CG-CZ2 4.17Å; M173-W179 HydrophobicContact CG-CZ3 4.06Å; M173-W179 HydrophobicContact SD-CB 4.47Å; M173-W179 HydrophobicContact SD-CD2 4.27Å; M173-W179 HydrophobicContact SD-CE3 4.44Å; M173-W179 HydrophobicContact SD-CG 4.25Å; M173-I185 HydrophobicContact CE-CG2 3.23Å; M173-I185 HydrophobicContact SD-CG2 4.31Å; M173-V234 HydrophobicContact CG-CG1 4.19Å; M173-V235 PolarHBondContact N-O 3.37Å; M173-F237 PolarHBondContact O-N 3.39Å
174K93Very high94.2Very high126 Ų12675.8 Ų75.855%0.54838%0.377SS..  trans-79.3143-178.9-66.1176.7-178172.60110.9W179 F237K174-W179 PolarHBondContact O-NE1 3.44Å; K174-W179 VanDerWaalsContact O-NE1 3.13Å; K174-F237 HydrophobicContact CG-CB 3.98Å; K174-F237 HydrophobicContact CG-CD1 3.9Å; K174-F237 HydrophobicContact CG-CG 4.15Å
175N90.7Very high94.2Very high99 Ų9977.5 Ų77.553%0.52939%0.386SS..THydrogen-bonded Turntrans-71.8-38.2175.7-171.26.6000113.1V177 W213 L236N175-V177 PolarHBondContact O-N 3.01Å; N175-W213 HydrophobicContact CB-CH2 3.95Å; N175-W213 HydrophobicContact CB-CZ2 3.92Å; N175-W213 VanDerWaalsContact OD1-CH2 3.3Å; N175-W213 WeakPolarHBondContact OD1-CH2 3.4Å; N175-L236 HydrophobicContact CB-CD1 3.67Å
176N89.4Confident94.3Very high159 Ų15969 Ų6985%0.8535%0.354SS*.THydrogen-bonded Turntrans-74.7-1.4-169.7-56.31.1000114.4
177V91.4Very high94.4Very high86 Ų8665 Ų6552%0.52133%0.326SS..SBendtrans-125.8132.7-176.7-178.80000106.9N175 W179N175-V177 PolarHBondContact O-N 3.01Å; V177-W179 PolarHBondContact O-N 2.93Å
178K92.5Very high94.5Very high215 Ų21572.1 Ų72.194%0.93535%0.351SS*.  trans-69.2123.4168.8-65.8-176.4-179.7-178.20108
179W93.5Very high94.5Very high28 Ų2869 Ų6911%0.10634%0.337CS..  trans-130.9145.4-178.352.8-96.7000109.7M173 K174 V177 I210 T211 R212 W213 V234M173-W179 HydrophobicContact CB-CD2 3.71Å; M173-W179 HydrophobicContact CB-CE3 4.26Å; M173-W179 HydrophobicContact CB-CG 4.09Å; M173-W179 HydrophobicContact CB-CH2 4.27Å; M173-W179 HydrophobicContact CB-CZ2 3.72Å; M173-W179 HydrophobicContact CG-CD2 3.7Å; M173-W179 HydrophobicContact CG-CE3 3.79Å; M173-W179 HydrophobicContact CG-CG 4.2Å; M173-W179 HydrophobicContact CG-CH2 4.25Å; M173-W179 HydrophobicContact CG-CZ2 4.17Å; M173-W179 HydrophobicContact CG-CZ3 4.06Å; M173-W179 HydrophobicContact SD-CB 4.47Å; M173-W179 HydrophobicContact SD-CD2 4.27Å; M173-W179 HydrophobicContact SD-CE3 4.44Å; M173-W179 HydrophobicContact SD-CG 4.25Å; K174-W179 PolarHBondContact O-NE1 3.44Å; K174-W179 VanDerWaalsContact O-NE1 3.13Å; V177-W179 PolarHBondContact O-N 2.93Å; W179-I210 HydrophobicContact CZ3-CG2 4.27Å; W179-I210 WeakPolarHBondContact CZ3-O 3.28Å; W179-T211 VanDerWaalsContact CH2-C 3.49Å; W179-T211 WeakPolarHBondContact CZ2-O 3.41Å; W179-T211 WeakPolarHBondContact O-CG2 3.41Å; W179-R212 WeakPolarHBondContact CH2-O 3.49Å; W179-W213 AromaticContact CZ2-CD1 3.99Å; W179-W213 HydrophobicContact CZ2-CD2 4.44Å; W179-W213 AromaticContact CZ2-CE2 3.96Å; W179-W213 HydrophobicContact CZ2-CG 4.45Å; W179-W213 HydrophobicContact CZ2-CZ2 4.38Å; W179-W213 AromaticContact CZ2-NE1 3.7Å; W179-V234 HydrophobicContact CH2-CG1 3.45Å; W179-V234 VanDerWaalsContact CH2-CG1 3.45Å; W179-V234 HydrophobicContact CZ2-CG1 4.19Å; W179-V234 HydrophobicContact CZ3-CG1 3.94Å
180E94.5Very high94.5Very high127 Ų12769 Ų6959%0.59334%0.337SS*.  trans-119.5136.8167.4-68.1175.6-177.300107.1N182E180-N182 PolarHBondContact O-N 2.89Å; E180-N182 VanDerWaalsContact O-N 3.14Å
181L94.6Very high94.5Very high12 Ų1271 Ų716%0.06334%0.344CS..  trans-77.1104.9-175.1-168.967.8000110.9V171 I185 V186 L205 I210 M232 V234V171-L181 HydrophobicContact CG1-CD1 3.78Å; L181-I185 HydrophobicContact CD1-CB 4.2Å; L181-I185 HydrophobicContact CD1-CG2 3.86Å; L181-V186 HydrophobicContact CD1-CG2 3.76Å; L181-V186 HydrophobicContact CD2-CG2 3.78Å; L181-V186 HydrophobicContact CG-CG2 3.69Å; L181-L205 HydrophobicContact CG-CD1 4.3Å; L181-L205 WeakPolarHBondContact O-CD1 3.47Å; L181-I210 HydrophobicContact CB-CB 3.9Å; L181-I210 HydrophobicContact CB-CG2 4.31Å; L181-I210 HydrophobicContact CD2-CB 4.33Å; L181-I210 HydrophobicContact CD2-CD1 3.81Å; L181-I210 HydrophobicContact CD2-CG2 4.35Å; L181-I210 PolarHBondContact N-O 3.22Å; L181-M232 HydrophobicContact CD2-CE 3.38Å; L181-M232 HydrophobicContact CD2-SD 3.71Å; L181-V234 HydrophobicContact CD2-CG2 4.16Å
182N95Very high94.4Very high85 Ų8577.7 Ų77.746%0.45537%0.374SS..  trans-90.7152.3173.8-67.7-18.1000111.6E180 E184 I185 V186E180-N182 PolarHBondContact O-N 2.89Å; E180-N182 VanDerWaalsContact O-N 3.14Å; N182-E184 PolarHBondContact O-N 2.83Å; N182-E184 VanDerWaalsContact O-N 3.12Å; N182-I185 HydrophobicContact CB-CD1 4.37Å; N182-I185 HydrophobicContact CB-CG1 4.36Å; N182-I185 WeakPolarHBondContact O-CB 3.33Å; N182-I185 PolarHBondContact O-N 2.67Å; N182-V186 PolarHBondContact O-N 3.48Å
183P96Very high94.4Very high46 Ų4680.5 Ų80.530%0.29939%0.385SS..Hα-helixtrans-53.1-33.7174-27.935.6000113.6I185 V186 A187 P200 L203 L205P183-I185 VanDerWaalsContact C-N 3.34Å; P183-I185 PolarHBondContact O-N 2.76Å; P183-V186 PolarHBondContact O-N 2.88Å; P183-A187 WeakPolarHBondContact O-CB 3.4Å; P183-A187 PolarHBondContact O-N 2.87Å; P183-P200 HydrophobicContact CB-CB 4.39Å; P183-L203 HydrophobicContact CB-CB 4.31Å; P183-L203 WeakPolarHBondContact O-CD1 3.4Å; P183-L205 HydrophobicContact CG-CD1 4.13Å; P183-L205 HydrophobicContact CG-CG 4.47Å
184E96Very high94.3Very high105 Ų10581.5 Ų81.549%0.49139%0.39SS..Hα-helixtrans-62-38.8175.4-64.1-172.7-178.100113.5N182 V186 R188 P200N182-E184 PolarHBondContact O-N 2.83Å; N182-E184 VanDerWaalsContact O-N 3.12Å; E184-V186 VanDerWaalsContact C-N 3.34Å; E184-R188 WeakPolarHBondContact O-CG 3.2Å; E184-R188 PolarHBondContact O-N 3.33Å; E184-R188 VanDerWaalsContact O-N 3.11Å; E184-R188 IonicContact OE2-NH2 2.65Å; E184-P200 HydrophobicContact CG-CB 4.27Å; E184-P200 HydrophobicContact CG-CG 4.19Å
185I95.5Very high94.3Very high36 Ų3678.1 Ų78.119%0.18539%0.392CS..Hα-helixtrans-66-45.8178.7-63.1176.6000108.6V171 M173 L181 N182 P183 R188 H189V171-I185 HydrophobicContact CG1-CG2 4.46Å; M173-I185 HydrophobicContact CE-CG2 3.23Å; M173-I185 HydrophobicContact SD-CG2 4.31Å; L181-I185 HydrophobicContact CD1-CB 4.2Å; L181-I185 HydrophobicContact CD1-CG2 3.86Å; N182-I185 HydrophobicContact CB-CD1 4.37Å; N182-I185 HydrophobicContact CB-CG1 4.36Å; N182-I185 WeakPolarHBondContact O-CB 3.33Å; N182-I185 PolarHBondContact O-N 2.67Å; P183-I185 VanDerWaalsContact C-N 3.34Å; P183-I185 PolarHBondContact O-N 2.76Å; I185-R188 PolarHBondContact O-N 3.07Å; I185-H189 PolarHBondContact O-CD2 3.31Å; I185-H189 VanDerWaalsContact O-CD2 3.3Å; I185-H189 PolarHBondContact O-N 2.76Å; I185-H189 VanDerWaalsContact O-N 3.09Å
186V96.2Very high94.4Very high0 Ų074.7 Ų74.70%037%0.374CS..Hα-helixtrans-61.6-45.4178.4179.60000111L169 L181 N182 P183 E184 R188 H189 F190 L203 L205 M232L169-V186 HydrophobicContact CD2-CG1 3.7Å; L181-V186 HydrophobicContact CD1-CG2 3.76Å; L181-V186 HydrophobicContact CD2-CG2 3.78Å; L181-V186 HydrophobicContact CG-CG2 3.69Å; N182-V186 PolarHBondContact O-N 3.48Å; P183-V186 PolarHBondContact O-N 2.88Å; E184-V186 VanDerWaalsContact C-N 3.34Å; V186-R188 VanDerWaalsContact C-N 3.33Å; V186-R188 PolarHBondContact O-N 3.45Å; V186-H189 WeakPolarHBondContact O-CA 3.18Å; V186-H189 PolarHBondContact O-N 3.42Å; V186-F190 HydrophobicContact CG1-CD2 3.82Å; V186-F190 HydrophobicContact CG1-CE2 3.59Å; V186-F190 WeakPolarHBondContact O-CD2 3.43Å; V186-F190 PolarHBondContact O-N 3.25Å; V186-L203 HydrophobicContact CB-CD1 4.09Å; V186-L203 HydrophobicContact CG1-CD1 3.95Å; V186-L205 HydrophobicContact CG2-CD1 4.41Å; V186-L205 HydrophobicContact CG2-CD2 4.02Å; V186-M232 HydrophobicContact CG1-SD 4.4Å; V186-M232 HydrophobicContact CG2-SD 4.06Å
187A96.8Very high94.6Very high11 Ų1173 Ų739%0.09137%0.37CS..Hα-helixtrans-56.7-42.6175.200000112.9P183 H189 F190 F191 V198 P200 L203P183-A187 WeakPolarHBondContact O-CB 3.4Å; P183-A187 PolarHBondContact O-N 2.87Å; A187-H189 VanDerWaalsContact C-N 3.31Å; A187-H189 PolarHBondContact O-N 3.04Å; A187-F190 WeakPolarHBondContact O-CB 3.42Å; A187-F190 PolarHBondContact O-N 2.97Å; A187-F191 PolarHBondContact O-N 2.88Å; A187-V198 WeakPolarHBondContact CB-O 3.46Å; A187-P200 HydrophobicContact CB-CG 4.34Å; A187-L203 HydrophobicContact CB-CD1 3.85Å
188R96.4Very high94.8Very high162 Ų16270 Ų7061%0.61135%0.351SS*.Hα-helixtrans-63.7-36.9175-70.4174.7-170.4142.611112.2E184 I185 V186 F191 K192E184-R188 WeakPolarHBondContact O-CG 3.2Å; E184-R188 PolarHBondContact O-N 3.33Å; E184-R188 VanDerWaalsContact O-N 3.11Å; E184-R188 IonicContact OE2-NH2 2.65Å; I185-R188 PolarHBondContact O-N 3.07Å; V186-R188 VanDerWaalsContact C-N 3.33Å; V186-R188 PolarHBondContact O-N 3.45Å; R188-F191 PolarHBondContact O-N 3.45Å; R188-K192 WeakPolarHBondContact O-CB 3.32Å; R188-K192 PolarHBondContact O-N 2.96Å
189H95.8Very high95Very high25 Ų2561.6 Ų61.612%0.11632%0.322CS..Hα-helixtrans-72.1-34.6177.4-86.2-83.6000112.9L169 E170 V171 G172 I185 V186 A187 F191 K192 N193L169-H189 HydrophobicContact CD1-CB 4.21Å; E170-H189 PolarHBondContact O-ND1 2.99Å; V171-H189 HydrophobicContact CG2-CB 4.14Å; G172-H189 PolarHBondContact N-CE1 3.04Å; G172-H189 VanDerWaalsContact N-CE1 3.31Å; I185-H189 PolarHBondContact O-CD2 3.31Å; I185-H189 VanDerWaalsContact O-CD2 3.3Å; I185-H189 PolarHBondContact O-N 2.76Å; I185-H189 VanDerWaalsContact O-N 3.09Å; V186-H189 WeakPolarHBondContact O-CA 3.18Å; V186-H189 PolarHBondContact O-N 3.42Å; A187-H189 VanDerWaalsContact C-N 3.31Å; A187-H189 PolarHBondContact O-N 3.04Å; H189-F191 VanDerWaalsContact C-N 3.33Å; H189-F191 PolarHBondContact O-N 3.5Å; H189-K192 PolarHBondContact O-N 3.2Å; H189-N193 WeakPolarHBondContact O-CB 3.17Å; H189-N193 PolarHBondContact O-N 3.27Å
190F95.8Very high95.1Very high0 Ų063 Ų630%034%0.335CS..Iπ-helixtrans-56.2-48.5169.2-89.8-75000111.2L164 L169 V186 A187 L194 G195 V196 V198 L203 V220 V230L164-F190 HydrophobicContact CD2-CE1 3.94Å; L169-F190 HydrophobicContact CD1-CD1 4.33Å; L169-F190 HydrophobicContact CD1-CG 4.3Å; L169-F190 HydrophobicContact CD2-CD2 3.94Å; L169-F190 HydrophobicContact CD2-CE1 4.48Å; L169-F190 HydrophobicContact CD2-CE2 3.66Å; L169-F190 HydrophobicContact CD2-CG 4.46Å; L169-F190 HydrophobicContact CD2-CZ 3.95Å; V186-F190 HydrophobicContact CG1-CD2 3.82Å; V186-F190 HydrophobicContact CG1-CE2 3.59Å; V186-F190 WeakPolarHBondContact O-CD2 3.43Å; V186-F190 PolarHBondContact O-N 3.25Å; A187-F190 WeakPolarHBondContact O-CB 3.42Å; A187-F190 PolarHBondContact O-N 2.97Å; F190-L194 HydrophobicContact CD1-CD1 3.71Å; F190-L194 HydrophobicContact CE1-CD1 3.86Å; F190-L194 CarbonylContact O-C 3.53Å; F190-L194 WeakPolarHBondContact O-CA 3.42Å; F190-L194 WeakPolarHBondContact O-CB 3.08Å; F190-L194 PolarHBondContact O-N 2.65Å; F190-G195 PolarHBondContact O-N 3.32Å; F190-G195 VanDerWaalsContact O-N 3.13Å; F190-V196 CarbonylContact C-O 3.56Å; F190-V196 PolarHBondContact O-N 3.21Å; F190-V198 HydrophobicContact CB-CG2 4.07Å; F190-V198 HydrophobicContact CD1-CG2 4.24Å; F190-V198 HydrophobicContact CD2-CG2 4.39Å; F190-V198 HydrophobicContact CG-CG2 4Å; F190-L203 HydrophobicContact CD2-CD1 4.34Å; F190-L203 HydrophobicContact CD2-CD2 4.31Å; F190-L203 HydrophobicContact CE2-CD1 4.42Å; F190-L203 HydrophobicContact CE2-CD2 3.81Å; F190-V220 HydrophobicContact CE1-CG2 4.46Å; F190-V220 HydrophobicContact CE2-CG2 4.17Å; F190-V220 HydrophobicContact CZ-CG2 3.69Å; F190-V230 HydrophobicContact CE1-CG1 4.34Å; F190-V230 HydrophobicContact CZ-CB 4.38Å; F190-V230 HydrophobicContact CZ-CG1 4.19Å; F190-V230 HydrophobicContact CZ-CG2 4.39Å
191F95.9Very high95.1Very high132 Ų13265 Ų6558%0.57934%0.344SS*.Iπ-helixtrans-63.8-47.1178-179.5-108.6000112A187 R188 H189 G195 V196 V197A187-F191 PolarHBondContact O-N 2.88Å; R188-F191 PolarHBondContact O-N 3.45Å; H189-F191 VanDerWaalsContact C-N 3.33Å; H189-F191 PolarHBondContact O-N 3.5Å; F191-G195 VanDerWaalsContact O-CA 3.27Å; F191-G195 WeakPolarHBondContact O-CA 3.42Å; F191-G195 PolarHBondContact O-N 3.48Å; F191-G195 VanDerWaalsContact O-N 3.14Å; F191-V196 WeakPolarHBondContact CA-O 3.34Å; F191-V196 PolarHBondContact N-O 3.01Å; F191-V197 HydrophobicContact CD2-CG2 3.73Å; F191-V197 HydrophobicContact CE2-CG2 4.01Å
192K94.4Very high95.2Very high142 Ų14265.3 Ų65.362%0.61735%0.348SS*.Iπ-helixtrans-67.9-41.7-175-177.1179.2175.8-178.70113.8R188 H189R188-K192 WeakPolarHBondContact O-CB 3.32Å; R188-K192 PolarHBondContact O-N 2.96Å; H189-K192 PolarHBondContact O-N 3.2Å
193N93.5Very high95.2Very high73 Ų7361.7 Ų61.739%0.3933%0.329SS..Iπ-helixtrans-97.5-38.9-171.4-64.8-10000112.8E170 H189E170-N193 PolarHBondContact O-ND2 3.18Å; H189-N193 WeakPolarHBondContact O-CB 3.17Å; H189-N193 PolarHBondContact O-N 3.27Å
194L93Very high95.2Very high42 Ų4267.6 Ų67.622%0.2235%0.345CS..Iπ-helixtrans-105.8-12.8-174.3-59.9176.7000112.6F163 C167 L169 F190 V196F163-L194 HydrophobicContact CE1-CB 4.39Å; C167-L194 HydrophobicContact CB-CD1 3.93Å; C167-L194 HydrophobicContact CB-CD2 4.32Å; L169-L194 HydrophobicContact CD1-CD1 4.09Å; L169-L194 HydrophobicContact CD1-CG 4.44Å; F190-L194 HydrophobicContact CD1-CD1 3.71Å; F190-L194 HydrophobicContact CE1-CD1 3.86Å; F190-L194 CarbonylContact O-C 3.53Å; F190-L194 WeakPolarHBondContact O-CA 3.42Å; F190-L194 WeakPolarHBondContact O-CB 3.08Å; F190-L194 PolarHBondContact O-N 2.65Å; L194-V196 HydrophobicContact CB-CG2 4.32Å; L194-V196 PolarHBondContact O-N 3.4Å
195G93.2Very high95.2Very high56 Ų5664.6 Ų64.658%0.57733%0.332SS*.  trans73.712.7-177.300000114F190 F191F190-G195 PolarHBondContact O-N 3.32Å; F190-G195 VanDerWaalsContact O-N 3.13Å; F191-G195 VanDerWaalsContact O-CA 3.27Å; F191-G195 WeakPolarHBondContact O-CA 3.42Å; F191-G195 PolarHBondContact O-N 3.48Å; F191-G195 VanDerWaalsContact O-N 3.14Å
196V93.3Very high95.1Very high27 Ų2765.6 Ų65.616%0.16434%0.341CS..  trans-99.9126.9-178.8-175.90000110F163 F190 F191 L194 V198F163-V196 HydrophobicContact CD1-CG2 3.9Å; F163-V196 HydrophobicContact CE1-CG2 3.41Å; F163-V196 VanDerWaalsContact CE1-CG2 3.41Å; F163-V196 HydrophobicContact CZ-CG2 4.37Å; F190-V196 CarbonylContact C-O 3.56Å; F190-V196 PolarHBondContact O-N 3.21Å; F191-V196 WeakPolarHBondContact CA-O 3.34Å; F191-V196 PolarHBondContact N-O 3.01Å; L194-V196 HydrophobicContact CB-CG2 4.32Å; L194-V196 PolarHBondContact O-N 3.4Å; V196-V198 HydrophobicContact CB-CG2 4.48Å; V196-V198 HydrophobicContact CG1-CG2 3.79Å
197V94.4Very high94.8Very high124 Ų12475.3 Ų75.375%0.75239%0.386SS*.  trans-83.6115173-178.50000108.4F191F191-V197 HydrophobicContact CD2-CG2 3.73Å; F191-V197 HydrophobicContact CE2-CG2 4.01Å
198V95.2Very high94.6Very high21 Ų2182.3 Ų82.313%0.12742%0.417CS..  trans-121.1134.3177-170.90000109.2A187 F190 V196 A202 L203 V220A187-V198 WeakPolarHBondContact CB-O 3.46Å; F190-V198 HydrophobicContact CB-CG2 4.07Å; F190-V198 HydrophobicContact CD1-CG2 4.24Å; F190-V198 HydrophobicContact CD2-CG2 4.39Å; F190-V198 HydrophobicContact CG-CG2 4Å; V196-V198 HydrophobicContact CB-CG2 4.48Å; V196-V198 HydrophobicContact CG1-CG2 3.79Å; V198-A202 HydrophobicContact CG1-CB 4.24Å; V198-L203 HydrophobicContact CG1-CD1 4.35Å; V198-L203 HydrophobicContact CG1-CD2 3.61Å; V198-L203 HydrophobicContact CG1-CG 3.83Å; V198-V220 HydrophobicContact CG1-CG1 4.06Å
199A95.4Very high94.5Very high39 Ų3979.5 Ų79.532%0.32242%0.42SS..  trans-77.2140.717500000110.6H201 A202A199-H201 WeakPolarHBondContact CB-CE1 3.39Å; A199-H201 PolarHBondContact O-N 3.48Å; A199-H201 VanDerWaalsContact O-N 3.16Å; A199-A202 WeakPolarHBondContact O-CB 3.42Å; A199-A202 PolarHBondContact O-N 3.16Å
200P95.8Very high94.4Very high58 Ų5878.7 Ų78.738%0.37742%0.416SS..G310 helixtrans-57.7-32.8-177.4-26.734.5000114.4P183 E184 A187 A202 L203P183-P200 HydrophobicContact CB-CB 4.39Å; E184-P200 HydrophobicContact CG-CB 4.27Å; E184-P200 HydrophobicContact CG-CG 4.19Å; A187-P200 HydrophobicContact CB-CG 4.34Å; P200-A202 PolarHBondContact O-N 3.36Å; P200-L203 PolarHBondContact O-N 3.26Å
201H95.2Very high94.3Very high170 Ų17082.1 Ų82.179%0.78744%0.437SS*.G310 helixtrans-71.2-17.9178.763.5-98.8000113.9A199 L203A199-H201 WeakPolarHBondContact CB-CE1 3.39Å; A199-H201 PolarHBondContact O-N 3.48Å; A199-H201 VanDerWaalsContact O-N 3.16Å; H201-L203 VanDerWaalsContact C-N 3.29Å
202A95.5Very high94.2Very high18 Ų1885.2 Ų85.215%0.14945%0.445CS..G310 helixtrans-84.2-7.617600000112.2V198 A199 P200 T221V198-A202 HydrophobicContact CG1-CB 4.24Å; A199-A202 WeakPolarHBondContact O-CB 3.42Å; A199-A202 PolarHBondContact O-N 3.16Å; P200-A202 PolarHBondContact O-N 3.36Å; A202-T221 PolarHBondContact O-N 3.32Å
203L96.1Very high94.2Very high9 Ų983.6 Ų83.65%0.04744%0.435CS..EExtended strand (participates in β ladder)trans-101.7134.1-179.6-61.4178.1000110.4P183 V186 A187 F190 V198 P200 H201 D219 V220P183-L203 HydrophobicContact CB-CB 4.31Å; P183-L203 WeakPolarHBondContact O-CD1 3.4Å; V186-L203 HydrophobicContact CB-CD1 4.09Å; V186-L203 HydrophobicContact CG1-CD1 3.95Å; A187-L203 HydrophobicContact CB-CD1 3.85Å; F190-L203 HydrophobicContact CD2-CD1 4.34Å; F190-L203 HydrophobicContact CD2-CD2 4.31Å; F190-L203 HydrophobicContact CE2-CD1 4.42Å; F190-L203 HydrophobicContact CE2-CD2 3.81Å; V198-L203 HydrophobicContact CG1-CD1 4.35Å; V198-L203 HydrophobicContact CG1-CD2 3.61Å; V198-L203 HydrophobicContact CG1-CG 3.83Å; P200-L203 PolarHBondContact O-N 3.26Å; H201-L203 VanDerWaalsContact C-N 3.29Å; L203-D219 CarbonylContact C-O 3.56Å; L203-D219 WeakPolarHBondContact CA-O 3.28Å; L203-V220 HydrophobicContact CD2-CB 4.18Å; L203-V220 HydrophobicContact CD2-CG1 4.02Å; L203-V220 HydrophobicContact CD2-CG2 3.6Å
204R95.8Very high94.3Very high170 Ų17081.5 Ų81.564%0.64243%0.431SS*.EExtended strand (participates in β ladder)trans-119.9132.7167.2-60.9-179.2-179.7-174.2-1.2109.4D219R204-D219 HydrophobicContact CB-CB 4.15Å; R204-D219 PolarHBondContact N-O 2.68Å; R204-D219 PolarHBondContact O-N 3.27Å
205L95.1Very high94.5Very high41 Ų4187.8 Ų87.822%0.21546%0.459CS..  trans-101.1160.7175.3-64.3180000108.8L181 P183 V186 C218 M232L181-L205 HydrophobicContact CG-CD1 4.3Å; L181-L205 WeakPolarHBondContact O-CD1 3.47Å; P183-L205 HydrophobicContact CG-CD1 4.13Å; P183-L205 HydrophobicContact CG-CG 4.47Å; V186-L205 HydrophobicContact CG2-CD1 4.41Å; V186-L205 HydrophobicContact CG2-CD2 4.02Å; L205-C218 HydrophobicContact CD2-CB 4.1Å; L205-M232 HydrophobicContact CD2-CE 4.21Å
206P93.9Very high94.6Very high58 Ų5887.7 Ų87.738%0.37744%0.442SS..  trans-55.7153170.825.4-35.8000110.7E208 I210 W217P206-E208 PolarHBondContact O-N 2.72Å; P206-I210 HydrophobicContact CG-CD1 3.67Å; P206-I210 HydrophobicContact CG-CG1 4.16Å; P206-W217 WeakPolarHBondContact CD-O 3.48Å
207E90.5Very high94.7Very high204 Ų20492.3 Ų92.395%0.95346%0.456SS*.SBendtrans-61.3-29.3-176.8-63-178176.900112.5
208E92.9Very high94.8Very high158 Ų15886.4 Ų86.474%0.73842%0.421SS*.SBendtrans-76131.4177.6-63.8-178.6-17600111.8P206 I210P206-E208 PolarHBondContact O-N 2.72Å; E208-I210 PolarHBondContact O-N 3.24Å
209P93.5Very high94.9Very high103 Ų10388.2 Ų88.267%0.66943%0.43SS*.  trans-65.5123.5177.626.6-33.4000111T211P209-T211 PolarHBondContact O-N 3.3Å
210I93.7Very high94.9Very high7 Ų786.6 Ų86.64%0.03642%0.416CS..  trans-86.3105.9-179.5-57.8165.6000109.6W179 L181 P206 E208 Y216 M232 V234W179-I210 HydrophobicContact CZ3-CG2 4.27Å; W179-I210 WeakPolarHBondContact CZ3-O 3.28Å; L181-I210 HydrophobicContact CB-CB 3.9Å; L181-I210 HydrophobicContact CB-CG2 4.31Å; L181-I210 HydrophobicContact CD2-CB 4.33Å; L181-I210 HydrophobicContact CD2-CD1 3.81Å; L181-I210 HydrophobicContact CD2-CG2 4.35Å; L181-I210 PolarHBondContact N-O 3.22Å; P206-I210 HydrophobicContact CG-CD1 3.67Å; P206-I210 HydrophobicContact CG-CG1 4.16Å; E208-I210 PolarHBondContact O-N 3.24Å; I210-Y216 HydrophobicContact CB-CE1 4.48Å; I210-Y216 HydrophobicContact CD1-CD1 3.66Å; I210-Y216 HydrophobicContact CD1-CD2 4.27Å; I210-Y216 HydrophobicContact CD1-CE1 4.17Å; I210-Y216 HydrophobicContact CD1-CG 3.72Å; I210-Y216 HydrophobicContact CG1-CD1 3.78Å; I210-Y216 HydrophobicContact CG1-CE1 3.75Å; I210-Y216 HydrophobicContact CG1-CG 4.2Å; I210-Y216 HydrophobicContact CG2-CD1 4.43Å; I210-Y216 HydrophobicContact CG2-CD2 3.89Å; I210-Y216 HydrophobicContact CG2-CE1 4.06Å; I210-Y216 HydrophobicContact CG2-CE2 3.45Å; I210-Y216 VanDerWaalsContact CG2-CE2 3.45Å; I210-Y216 HydrophobicContact CG2-CG 4.36Å; I210-M232 HydrophobicContact CD1-CE 3.9Å; I210-V234 HydrophobicContact CG2-CG2 4.25Å
211T94.5Very high95Very high72 Ų7285.2 Ų85.244%0.44241%0.406SS..  trans-117-7.2175.7-410000112.5W179 P209W179-T211 VanDerWaalsContact CH2-C 3.49Å; W179-T211 WeakPolarHBondContact CZ2-O 3.41Å; W179-T211 WeakPolarHBondContact O-CG2 3.41Å; P209-T211 PolarHBondContact O-N 3.3Å
212R93.6Very high95Very high198 Ų19877.8 Ų77.875%0.74737%0.373SS*.SBendtrans-112.8151.4-175.9-62-178.2-177.11761.9110.7W179 Y216W179-R212 WeakPolarHBondContact CH2-O 3.49Å; R212-Y216 WeakPolarHBondContact O-CE2 3.23Å; R212-Y216 PolarHBondContact O-OH 3.42Å
213W94.1Very high94.8Very high107 Ų10781.9 Ų81.941%0.40539%0.392SS..  trans-70.3141.5168.8-57-73.5000109.9N175 W179 V234 L236N175-W213 HydrophobicContact CB-CH2 3.95Å; N175-W213 HydrophobicContact CB-CZ2 3.92Å; N175-W213 VanDerWaalsContact OD1-CH2 3.3Å; N175-W213 WeakPolarHBondContact OD1-CH2 3.4Å; W179-W213 AromaticContact CZ2-CD1 3.99Å; W179-W213 HydrophobicContact CZ2-CD2 4.44Å; W179-W213 AromaticContact CZ2-CE2 3.96Å; W179-W213 HydrophobicContact CZ2-CG 4.45Å; W179-W213 HydrophobicContact CZ2-CZ2 4.38Å; W179-W213 AromaticContact CZ2-NE1 3.7Å; W213-V234 VanDerWaalsContact CA-O 3.26Å; W213-V234 WeakPolarHBondContact CA-O 3.42Å; W213-V234 VanDerWaalsContact CB-O 3.25Å; W213-V234 WeakPolarHBondContact CB-O 3.39Å; W213-L236 HydrophobicContact CZ2-CD1 4.09Å
214G95.7Very high94.6Very high30 Ų3084.4 Ų84.431%0.30942%0.421SS..EExtended strand (participates in β ladder)trans165.6-174.6-175.100000112.7V234G214-V234 PolarHBondContact N-O 3.41Å; G214-V234 PolarHBondContact O-N 3.11Å
215E96.4Very high94.3Very high173 Ų17379.7 Ų79.781%0.80841%0.408SS*.EExtended strand (participates in β ladder)trans-97.9130.1175.4-64.6178.3-177.200109.5
216Y96.5Very high94.3Very high55 Ų5580.7 Ų80.722%0.21641%0.413CS..EExtended strand (participates in β ladder)trans-139176.7-175.8-64.9-79000109.4I210 R212 M232 V234I210-Y216 HydrophobicContact CB-CE1 4.48Å; I210-Y216 HydrophobicContact CD1-CD1 3.66Å; I210-Y216 HydrophobicContact CD1-CD2 4.27Å; I210-Y216 HydrophobicContact CD1-CE1 4.17Å; I210-Y216 HydrophobicContact CD1-CG 3.72Å; I210-Y216 HydrophobicContact CG1-CD1 3.78Å; I210-Y216 HydrophobicContact CG1-CE1 3.75Å; I210-Y216 HydrophobicContact CG1-CG 4.2Å; I210-Y216 HydrophobicContact CG2-CD1 4.43Å; I210-Y216 HydrophobicContact CG2-CD2 3.89Å; I210-Y216 HydrophobicContact CG2-CE1 4.06Å; I210-Y216 HydrophobicContact CG2-CE2 3.45Å; I210-Y216 VanDerWaalsContact CG2-CE2 3.45Å; I210-Y216 HydrophobicContact CG2-CG 4.36Å; R212-Y216 WeakPolarHBondContact O-CE2 3.23Å; R212-Y216 PolarHBondContact O-OH 3.42Å; Y216-M232 CarbonylContact C-O 3.56Å; Y216-M232 HydrophobicContact CG-CE 4.49Å; Y216-M232 PolarHBondContact N-O 2.94Å; Y216-M232 PolarHBondContact O-N 3.22Å; Y216-V234 HydrophobicContact CD2-CB 4.25Å; Y216-V234 HydrophobicContact CD2-CG2 3.7Å; Y216-V234 HydrophobicContact CE2-CB 4.34Å; Y216-V234 HydrophobicContact CE2-CG2 4.15Å
217W95.4Very high94.4Very high123 Ų12381.7 Ų81.747%0.46642%0.419SS..EExtended strand (participates in β ladder)trans-125.9149.4176-53.187.6000108.9P206 R229 V230 P231P206-W217 WeakPolarHBondContact CD-O 3.48Å; W217-R229 HydrophobicContact CB-CG 3.96Å; W217-R229 HydrophobicContact CD2-CG 4.33Å; W217-R229 HydrophobicContact CE3-CG 3.92Å; W217-R229 HydrophobicContact CG-CG 4.36Å; W217-R229 VanDerWaalsContact CG-NE 3.27Å; W217-V230 WeakPolarHBondContact CA-O 3.26Å; W217-P231 HydrophobicContact CE3-CB 3.82Å; W217-P231 HydrophobicContact CH2-CB 4.11Å; W217-P231 HydrophobicContact CZ3-CB 3.47Å; W217-P231 VanDerWaalsContact CZ3-CB 3.47Å; W217-P231 HydrophobicContact CZ3-CG 4.08Å
218C95.5Very high94.7Very high1 Ų172.3 Ų72.31%0.00738%0.375CS..EExtended strand (participates in β ladder)trans-130.2126.8171.6179.90000108.9L205 V230L205-C218 HydrophobicContact CD2-CB 4.1Å; C218-V230 PolarHBondContact N-O 3.47Å; C218-V230 PolarHBondContact O-N 3.16Å
219D96.8Very high94.8Very high59 Ų5972 Ų7232%0.31637%0.367SS..EExtended strand (participates in β ladder)trans-88.8121.8177.7-67.9-26.2000109.3L203 R204 T227 R229L203-D219 CarbonylContact C-O 3.56Å; L203-D219 WeakPolarHBondContact CA-O 3.28Å; R204-D219 HydrophobicContact CB-CB 4.15Å; R204-D219 PolarHBondContact N-O 2.68Å; R204-D219 PolarHBondContact O-N 3.27Å; D219-T227 HydrophobicContact CB-CG2 3.79Å; D219-R229 WeakPolarHBondContact OD1-CA 3.19Å; D219-R229 WeakPolarHBondContact OD1-CB 3.35Å; D219-R229 WeakPolarHBondContact OD1-CG 3.36Å
220V96.9Very high95Very high4 Ų467.1 Ų67.12%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-111.6116-178.6-172.40000108.9L164 F190 V198 L203 T227 V228 V230L164-V220 HydrophobicContact CD1-CB 4.15Å; L164-V220 HydrophobicContact CD1-CG1 3.81Å; F190-V220 HydrophobicContact CE1-CG2 4.46Å; F190-V220 HydrophobicContact CE2-CG2 4.17Å; F190-V220 HydrophobicContact CZ-CG2 3.69Å; V198-V220 HydrophobicContact CG1-CG1 4.06Å; L203-V220 HydrophobicContact CD2-CB 4.18Å; L203-V220 HydrophobicContact CD2-CG1 4.02Å; L203-V220 HydrophobicContact CD2-CG2 3.6Å; V220-T227 WeakPolarHBondContact O-CA 3.47Å; V220-V228 PolarHBondContact N-O 2.84Å; V220-V228 PolarHBondContact O-N 2.94Å; V220-V230 HydrophobicContact CG2-CB 4.44Å; V220-V230 HydrophobicContact CG2-CG2 3.74Å
221T96.5Very high95.1Very high30 Ų3068.5 Ų68.518%0.18435%0.345CS..EExtended strand (participates in β ladder)trans-92.1119.7177.3-53.80000111A202 D226 T227A202-T221 PolarHBondContact O-N 3.32Å; T221-D226 CarbonylContact C-O 3.52Å; T221-D226 WeakPolarHBondContact CA-O 3.36Å; T221-T227 PolarHBondContact OG1-OG1 2.84Å; T221-T227 VanDerWaalsContact OG1-OG1 3.1Å
222V95.3Very high95.2Very high14 Ų1465.2 Ų65.29%0.08532%0.324CS..EExtended strand (participates in β ladder)trans-97.2122.2178.8-176.80000109.8Q153 T160 V161 L164 G224 L225 D226Q153-V222 PolarHBondContact NE2-O 3.32Å; T160-V222 HydrophobicContact CG2-CG2 4.41Å; V161-V222 HydrophobicContact CG2-CB 3.89Å; V161-V222 HydrophobicContact CG2-CG1 4.16Å; V161-V222 HydrophobicContact CG2-CG2 3.79Å; L164-V222 HydrophobicContact CD1-CG2 3.87Å; V222-G224 PolarHBondContact O-N 3.21Å; V222-L225 PolarHBondContact O-N 2.83Å; V222-D226 PolarHBondContact N-O 3.46Å; V222-D226 PolarHBondContact O-N 2.83Å
223N91.9Very high95.4Very high103 Ų10356.5 Ų56.555%0.55129%0.294SS*.THydrogen-bonded Turntrans55.714.7-179.3-61.1-29.7000115.5Q153 L225Q153-N223 PolarHBondContact OE1-ND2 3.35Å; N223-L225 VanDerWaalsContact C-N 3.25Å; N223-L225 PolarHBondContact O-N 2.84Å
224G91.3Very high95.5Very high63 Ų6351.5 Ų51.565%0.64928%0.275SS*.THydrogen-bonded Turntrans73.911.4-174.500000114.6V222V222-G224 PolarHBondContact O-N 3.21Å
225L90.6Very high95.4Very high71 Ų7152.7 Ų52.737%0.37228%0.276SS..THydrogen-bonded Turntrans-111.5-64.8-178.9-50.3172.5000110.5K151 Q153 V222 N223K151-L225 HydrophobicContact CB-CD1 4.04Å; K151-L225 HydrophobicContact CB-CD2 3.92Å; K151-L225 WeakPolarHBondContact O-CD1 3.19Å; Q153-L225 HydrophobicContact CG-CD1 4.13Å; V222-L225 PolarHBondContact O-N 2.83Å; N223-L225 VanDerWaalsContact C-N 3.25Å; N223-L225 PolarHBondContact O-N 2.84Å
226D94Very high95.3Very high61 Ų6148.5 Ų48.533%0.32626%0.259SS..EExtended strand (participates in β ladder)trans-93.6130-176.6-65.8-42.4000111.1Q153 V161 T221 V222Q153-D226 WeakPolarHBondContact CG-OD2 3.27Å; Q153-D226 VanDerWaalsContact NE2-CG 3.33Å; Q153-D226 PolarHBondContact NE2-OD2 2.84Å; V161-D226 HydrophobicContact CG2-CB 3.93Å; T221-D226 CarbonylContact C-O 3.52Å; T221-D226 WeakPolarHBondContact CA-O 3.36Å; V222-D226 PolarHBondContact N-O 3.46Å; V222-D226 PolarHBondContact O-N 2.83Å
227T96.2Very high95.2Very high80 Ų8049.5 Ų49.549%0.49127%0.265SS..EExtended strand (participates in β ladder)trans-104.9125.3170.6-58.20000109.4D219 V220 T221D219-T227 HydrophobicContact CB-CG2 3.79Å; V220-T227 WeakPolarHBondContact O-CA 3.47Å; T221-T227 PolarHBondContact OG1-OG1 2.84Å; T221-T227 VanDerWaalsContact OG1-OG1 3.1Å
228V96.5Very high95Very high6 Ų646.9 Ų46.94%0.03626%0.258CS..EExtended strand (participates in β ladder)trans-112.5122.6-179-177.20000109.3V161 L164 R165 V220 V230V161-V228 HydrophobicContact CB-CG2 4.23Å; V161-V228 HydrophobicContact CG1-CG2 3.77Å; V161-V228 HydrophobicContact CG2-CG2 4.12Å; L164-V228 HydrophobicContact CB-CB 4.33Å; L164-V228 HydrophobicContact CB-CG1 3.86Å; R165-V228 HydrophobicContact CG-CG1 3.78Å; V220-V228 PolarHBondContact N-O 2.84Å; V220-V228 PolarHBondContact O-N 2.94Å; V228-V230 HydrophobicContact CG1-CG2 4.21Å; V228-V230 PolarHBondContact O-N 2.94Å
229R96.4Very high94.8Very high153 Ų15354 Ų5458%0.57729%0.288SS*.EExtended strand (participates in β ladder)trans-82110.5174.1-173.5170.7176.3176.21.2110W217 D219W217-R229 HydrophobicContact CB-CG 3.96Å; W217-R229 HydrophobicContact CD2-CG 4.33Å; W217-R229 HydrophobicContact CE3-CG 3.92Å; W217-R229 HydrophobicContact CG-CG 4.36Å; W217-R229 VanDerWaalsContact CG-NE 3.27Å; D219-R229 WeakPolarHBondContact OD1-CA 3.19Å; D219-R229 WeakPolarHBondContact OD1-CB 3.35Å; D219-R229 WeakPolarHBondContact OD1-CG 3.36Å
230V96.4Very high94.5Very high0 Ų056.1 Ų56.10%031%0.305CS..EExtended strand (participates in β ladder)trans-100.4126.4-178.9-179.10000109.6L164 L169 F190 W217 C218 V220 V228L164-V230 HydrophobicContact CB-CG2 4.18Å; L164-V230 HydrophobicContact CD2-CG2 4.37Å; L169-V230 HydrophobicContact CB-CG1 4.42Å; F190-V230 HydrophobicContact CE1-CG1 4.34Å; F190-V230 HydrophobicContact CZ-CB 4.38Å; F190-V230 HydrophobicContact CZ-CG1 4.19Å; F190-V230 HydrophobicContact CZ-CG2 4.39Å; W217-V230 WeakPolarHBondContact CA-O 3.26Å; C218-V230 PolarHBondContact N-O 3.47Å; C218-V230 PolarHBondContact O-N 3.16Å; V220-V230 HydrophobicContact CG2-CB 4.44Å; V220-V230 HydrophobicContact CG2-CG2 3.74Å; V228-V230 HydrophobicContact CG1-CG2 4.21Å; V228-V230 PolarHBondContact O-N 2.94Å
231P97Very high94.4Very high35 Ų3564.8 Ų64.823%0.22734%0.343CS..EExtended strand (participates in β ladder)trans-66.7135.517224.3-29.5000110.8C167 H168 L169 W217C167-P231 WeakPolarHBondContact O-CD 3.45Å; C167-P231 WeakPolarHBondContact O-CG 3.3Å; H168-P231 HydrophobicContact CB-CG 4.3Å; L169-P231 PolarHBondContact N-O 3.05Å; W217-P231 HydrophobicContact CE3-CB 3.82Å; W217-P231 HydrophobicContact CH2-CB 4.11Å; W217-P231 HydrophobicContact CZ3-CB 3.47Å; W217-P231 VanDerWaalsContact CZ3-CB 3.47Å; W217-P231 HydrophobicContact CZ3-CG 4.08Å
232M96.3Very high94.3Very high3 Ų366.3 Ų66.32%0.01535%0.352CS..EExtended strand (participates in β ladder)trans-130.6123.2-176.7169.7173.368.200110.3L169 V171 L181 V186 L205 I210 Y216 V234L169-M232 HydrophobicContact CB-CB 4.4Å; L169-M232 HydrophobicContact CD2-CG 4.35Å; L169-M232 HydrophobicContact CD2-SD 4.24Å; L169-M232 CarbonylContact O-C 3.34Å; L169-M232 VanDerWaalsContact O-CA 3.26Å; L169-M232 WeakPolarHBondContact O-CA 3.17Å; V171-M232 HydrophobicContact CG2-CG 3.84Å; V171-M232 HydrophobicContact CG2-SD 3.65Å; L181-M232 HydrophobicContact CD2-CE 3.38Å; L181-M232 HydrophobicContact CD2-SD 3.71Å; V186-M232 HydrophobicContact CG1-SD 4.4Å; V186-M232 HydrophobicContact CG2-SD 4.06Å; L205-M232 HydrophobicContact CD2-CE 4.21Å; I210-M232 HydrophobicContact CD1-CE 3.9Å; Y216-M232 CarbonylContact C-O 3.56Å; Y216-M232 HydrophobicContact CG-CE 4.49Å; Y216-M232 PolarHBondContact N-O 2.94Å; Y216-M232 PolarHBondContact O-N 3.22Å; M232-V234 HydrophobicContact CE-CG2 4.4Å; M232-V234 HydrophobicContact CG-CG2 4.27Å; M232-V234 HydrophobicContact SD-CG2 4.42Å
233S96.9Very high94.1Very high16 Ų1671.5 Ų71.511%0.11237%0.374CS..EExtended strand (participates in β ladder)trans-100.9122.3168.773.20000110.6H168 L169 E170 V171H168-S233 PolarHBondContact CE1-OG 3.35Å; L169-S233 PolarHBondContact O-N 3.36Å; E170-S233 CarbonylContact C-O 3.59Å; V171-S233 PolarHBondContact N-O 2.91Å
234V96.3Very high94.2Very high2 Ų276.4 Ų76.41%0.01239%0.385CS..EExtended strand (participates in β ladder)trans-92.3107.9173.6-176.30000107.8V171 M173 W179 L181 I210 W213 G214 Y216 M232V171-V234 HydrophobicContact CB-CG2 4.31Å; V171-V234 CarbonylContact O-C 3.57Å; V171-V234 WeakPolarHBondContact O-CA 3.16Å; M173-V234 HydrophobicContact CG-CG1 4.19Å; W179-V234 HydrophobicContact CH2-CG1 3.45Å; W179-V234 VanDerWaalsContact CH2-CG1 3.45Å; W179-V234 HydrophobicContact CZ2-CG1 4.19Å; W179-V234 HydrophobicContact CZ3-CG1 3.94Å; L181-V234 HydrophobicContact CD2-CG2 4.16Å; I210-V234 HydrophobicContact CG2-CG2 4.25Å; W213-V234 VanDerWaalsContact CA-O 3.26Å; W213-V234 WeakPolarHBondContact CA-O 3.42Å; W213-V234 VanDerWaalsContact CB-O 3.25Å; W213-V234 WeakPolarHBondContact CB-O 3.39Å; G214-V234 PolarHBondContact N-O 3.41Å; G214-V234 PolarHBondContact O-N 3.11Å; Y216-V234 HydrophobicContact CD2-CB 4.25Å; Y216-V234 HydrophobicContact CD2-CG2 3.7Å; Y216-V234 HydrophobicContact CE2-CB 4.34Å; Y216-V234 HydrophobicContact CE2-CG2 4.15Å; M232-V234 HydrophobicContact CE-CG2 4.4Å; M232-V234 HydrophobicContact CG-CG2 4.27Å; M232-V234 HydrophobicContact SD-CG2 4.42Å
235V95.1Very high94.4Very high54 Ų5479.7 Ų79.733%0.32738%0.378SS..EExtended strand (participates in β ladder)trans-115.7158.3-171.4-62.30000112V171 G172 M173 F237V171-V235 PolarHBondContact O-N 3.1Å; G172-V235 CarbonylContact C-O 3.51Å; G172-V235 WeakPolarHBondContact CA-O 3.4Å; M173-V235 PolarHBondContact N-O 3.37Å; V235-F237 PolarHBondContact O-N 3.48Å
236L94.3Very high94.5Very high86 Ų8681.6 Ų81.645%0.4538%0.383SS..EExtended strand (participates in β ladder)trans-64.4123.3173.5179.963.9000110.5N175 W213 Q238N175-L236 HydrophobicContact CB-CD1 3.67Å; W213-L236 HydrophobicContact CZ2-CD1 4.09Å; L236-Q238 PolarHBondContact O-N 3.13Å; L236-Q238 VanDerWaalsContact O-N 3.16Å
237F93.2Very high94.5Very high76 Ų7684.1 Ų84.133%0.33339%0.393SS..  trans-61.3117.2175.9178.6-97.6000110.8M173 K174 V235 K239M173-F237 PolarHBondContact O-N 3.39Å; K174-F237 HydrophobicContact CG-CB 3.98Å; K174-F237 HydrophobicContact CG-CD1 3.9Å; K174-F237 HydrophobicContact CG-CG 4.15Å; V235-F237 PolarHBondContact O-N 3.48Å; F237-K239 HydrophobicContact CE1-CG 4.43Å
238Q91.1Very high94.4Very high67 Ų6786.3 Ų86.331%0.31339%0.392SS..  trans-104.1133.6172.7-64-179.75.500109.9L236 K243L236-Q238 PolarHBondContact O-N 3.13Å; L236-Q238 VanDerWaalsContact O-N 3.16Å; Q238-K243 HydrophobicContact CB-CB 4.33Å
239K91.3Very high94.3Very high150 Ų15089.5 Ų89.565%0.65241%0.409SS*.  trans-58.3142.5171.2-66.3-177.8-178.7177.40109.1F237 K241 T242 K243F237-K239 HydrophobicContact CE1-CG 4.43Å; K239-K241 PolarHBondContact O-N 2.63Å; K239-K241 VanDerWaalsContact O-N 3.12Å; K239-T242 WeakPolarHBondContact O-CA 3.39Å; K239-T242 WeakPolarHBondContact O-CB 3.46Å; K239-T242 PolarHBondContact O-N 2.66Å; K239-K243 PolarHBondContact O-N 3.28Å
240P91.7Very high94.2Very high104 Ų10485 Ų8568%0.67541%0.405SS*.Hα-helixtrans-52.5-38.5-178.8-29.635.1000114K243 R244P240-K243 PolarHBondContact O-N 2.79Å; P240-R244 WeakPolarHBondContact O-CB 3.47Å; P240-R244 PolarHBondContact O-N 2.78Å
241K94.3Very high94.1Very high186 Ų18689.2 Ų89.281%0.80942%0.424SS*.Hα-helixtrans-59.6-46.2174.3-67.5-170.8178.2-174.60112.1K239 R244 Y245K239-K241 PolarHBondContact O-N 2.63Å; K239-K241 VanDerWaalsContact O-N 3.12Å; K241-R244 PolarHBondContact O-N 2.88Å; K241-Y245 WeakPolarHBondContact O-CB 3.28Å; K241-Y245 PolarHBondContact O-N 2.98Å
242T93.8Very high93.9Very high63 Ų6391.3 Ų91.339%0.38743%0.431SS..Hα-helixtrans-66.2-43.6178-49.20000111.5K239 R244 Y245 K246K239-T242 WeakPolarHBondContact O-CA 3.39Å; K239-T242 WeakPolarHBondContact O-CB 3.46Å; K239-T242 PolarHBondContact O-N 2.66Å; T242-R244 PolarHBondContact O-N 3.15Å; T242-Y245 PolarHBondContact O-N 3.09Å; T242-K246 WeakPolarHBondContact O-CG 3.5Å; T242-K246 PolarHBondContact O-N 3.2Å
243K91.3Very high93.8Very high122 Ų12293.6 Ų93.653%0.5345%0.45SS..Hα-helixtrans-60.4-45.8176.6-170174.8-177.8173.30110.8Q238 K239 P240 K246 H247Q238-K243 HydrophobicContact CB-CB 4.33Å; K239-K243 PolarHBondContact O-N 3.28Å; P240-K243 PolarHBondContact O-N 2.79Å; K243-K246 PolarHBondContact O-N 2.96Å; K243-H247 WeakPolarHBondContact O-CB 2.95Å; K243-H247 PolarHBondContact O-N 3.32Å
244R94.3Very high93.5Very high207 Ų20795.8 Ų95.878%0.78147%0.47SS*.Hα-helixtrans-61.9-44176.2-174.3178.8180-177.70.2112.2P240 K241 T242 H247 W248P240-R244 WeakPolarHBondContact O-CB 3.47Å; P240-R244 PolarHBondContact O-N 2.78Å; K241-R244 PolarHBondContact O-N 2.88Å; T242-R244 PolarHBondContact O-N 3.15Å; R244-H247 PolarHBondContact O-N 3.47Å; R244-W248 WeakPolarHBondContact O-CB 3.21Å; R244-W248 PolarHBondContact O-N 2.71Å
245Y95.6Very high93.1Very high132 Ų132102.3 Ų102.352%0.51850%0.498SS..Hα-helixtrans-64.1-44.8178.2-179-111.6000112.2K241 T242 H247 W248 L249K241-Y245 WeakPolarHBondContact O-CB 3.28Å; K241-Y245 PolarHBondContact O-N 2.98Å; T242-Y245 PolarHBondContact O-N 3.09Å; Y245-H247 VanDerWaalsContact C-N 3.32Å; Y245-H247 PolarHBondContact O-N 2.69Å; Y245-W248 HydrophobicContact CD2-CE3 4.01Å; Y245-W248 HydrophobicContact CD2-CZ3 4.45Å; Y245-W248 AromaticContact CE2-CE3 3.81Å; Y245-W248 HydrophobicContact CE2-CE3 3.81Å; Y245-W248 AromaticContact CE2-CZ3 3.81Å; Y245-W248 HydrophobicContact CE2-CZ3 3.81Å; Y245-W248 WeakPolarHBondContact O-CB 3.13Å; Y245-W248 PolarHBondContact O-N 3.01Å; Y245-L249 HydrophobicContact CD1-CD1 4.01Å; Y245-L249 HydrophobicContact CE1-CD1 3.47Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.47Å; Y245-L249 HydrophobicContact CE1-CG 4.17Å; Y245-L249 HydrophobicContact CE2-CD1 4.48Å; Y245-L249 HydrophobicContact CE2-CG 4.32Å; Y245-L249 PolarHBondContact O-N 3.2Å
246K93.3Very high92.7Very high110 Ų110104.4 Ų104.448%0.47852%0.515SS..Hα-helixtrans-58.8-43.4173.4-75-173.7177-170.40112.1T242 K243 L249 A250T242-K246 WeakPolarHBondContact O-CG 3.5Å; T242-K246 PolarHBondContact O-N 3.2Å; K243-K246 PolarHBondContact O-N 2.96Å; K246-L249 PolarHBondContact O-N 3.4Å; K246-A250 WeakPolarHBondContact O-CB 3.35Å; K246-A250 PolarHBondContact O-N 3.2Å
247H93Very high92.1Very high115 Ų115105.8 Ų105.853%0.53253%0.527SS..Hα-helixtrans-63.7-41.8176.5-17468.4000112K243 R244 Y245 A250 Q251K243-H247 WeakPolarHBondContact O-CB 2.95Å; K243-H247 PolarHBondContact O-N 3.32Å; R244-H247 PolarHBondContact O-N 3.47Å; Y245-H247 VanDerWaalsContact C-N 3.32Å; Y245-H247 PolarHBondContact O-N 2.69Å; H247-A250 PolarHBondContact O-N 3.08Å; H247-Q251 PolarHBondContact CD2-NE2 3Å; H247-Q251 VanDerWaalsContact CD2-NE2 3.28Å; H247-Q251 PolarHBondContact NE2-NE2 3.42Å; H247-Q251 WeakPolarHBondContact O-CG 3.32Å; H247-Q251 PolarHBondContact O-N 2.89Å
248W94.5Very high91.1Very high125 Ų125105 Ų10547%0.47354%0.535SS..Hα-helixtrans-61.4-46.1175175.481000112.1R244 Y245 A250 Q251 Q252R244-W248 WeakPolarHBondContact O-CB 3.21Å; R244-W248 PolarHBondContact O-N 2.71Å; Y245-W248 HydrophobicContact CD2-CE3 4.01Å; Y245-W248 HydrophobicContact CD2-CZ3 4.45Å; Y245-W248 AromaticContact CE2-CE3 3.81Å; Y245-W248 HydrophobicContact CE2-CE3 3.81Å; Y245-W248 AromaticContact CE2-CZ3 3.81Å; Y245-W248 HydrophobicContact CE2-CZ3 3.81Å; Y245-W248 WeakPolarHBondContact O-CB 3.13Å; Y245-W248 PolarHBondContact O-N 3.01Å; W248-A250 VanDerWaalsContact C-N 3.34Å; W248-A250 PolarHBondContact O-N 3.37Å; W248-Q251 PolarHBondContact O-N 3.3Å; W248-Q252 HydrophobicContact CD2-CG 4.36Å; W248-Q252 HydrophobicContact CZ2-CG 4.11Å; W248-Q252 WeakPolarHBondContact O-CG 3.28Å; W248-Q252 PolarHBondContact O-N 2.89Å
249L95.2Very high90.1Very high74 Ų74107.6 Ų107.639%0.38756%0.557SS.*Hα-helixtrans-59-43.7174.5-74175.7000112Y245 K246 Q251 Q252 A253Y245-L249 HydrophobicContact CD1-CD1 4.01Å; Y245-L249 HydrophobicContact CE1-CD1 3.47Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.47Å; Y245-L249 HydrophobicContact CE1-CG 4.17Å; Y245-L249 HydrophobicContact CE2-CD1 4.48Å; Y245-L249 HydrophobicContact CE2-CG 4.32Å; Y245-L249 PolarHBondContact O-N 3.2Å; K246-L249 PolarHBondContact O-N 3.4Å; L249-Q251 VanDerWaalsContact C-N 3.33Å; L249-Q251 PolarHBondContact O-N 2.93Å; L249-Q252 PolarHBondContact O-N 2.84Å; L249-A253 PolarHBondContact O-N 3.46Å
250A94Very high88.8Confident59 Ų59106.9 Ų106.949%0.48857%0.565SS.*Hα-helixtrans-62.2-38.8177.200000112.4K246 H247 W248 A253 A254K246-A250 WeakPolarHBondContact O-CB 3.35Å; K246-A250 PolarHBondContact O-N 3.2Å; H247-A250 PolarHBondContact O-N 3.08Å; W248-A250 VanDerWaalsContact C-N 3.34Å; W248-A250 PolarHBondContact O-N 3.37Å; A250-A253 PolarHBondContact O-N 3.22Å; A250-A254 WeakPolarHBondContact O-CB 3.37Å; A250-A254 PolarHBondContact O-N 2.76Å
251Q93.5Very high87.4Confident87 Ų87108.5 Ų108.541%0.40757%0.568SS.*Hα-helixtrans-65-39.4173.9-71.8-17512.200112.6H247 W248 L249 A254 K255H247-Q251 PolarHBondContact CD2-NE2 3Å; H247-Q251 VanDerWaalsContact CD2-NE2 3.28Å; H247-Q251 PolarHBondContact NE2-NE2 3.42Å; H247-Q251 WeakPolarHBondContact O-CG 3.32Å; H247-Q251 PolarHBondContact O-N 2.89Å; W248-Q251 PolarHBondContact O-N 3.3Å; L249-Q251 VanDerWaalsContact C-N 3.33Å; L249-Q251 PolarHBondContact O-N 2.93Å; Q251-A254 PolarHBondContact O-N 3.31Å; Q251-K255 VanDerWaalsContact O-CG 3.3Å; Q251-K255 WeakPolarHBondContact O-CG 3.4Å; Q251-K255 PolarHBondContact O-N 3.23Å
252Q92.9Very high85.7Confident79 Ų79105.4 Ų105.437%0.36957%0.567SS.*Hα-helixtrans-65.6-44176.4-64.4-59.1-23.400111.3W248 L249 A254 K255 S256W248-Q252 HydrophobicContact CD2-CG 4.36Å; W248-Q252 HydrophobicContact CZ2-CG 4.11Å; W248-Q252 WeakPolarHBondContact O-CG 3.28Å; W248-Q252 PolarHBondContact O-N 2.89Å; L249-Q252 PolarHBondContact O-N 2.84Å; Q252-A254 PolarHBondContact O-N 3.24Å; Q252-K255 WeakPolarHBondContact O-CB 3.32Å; Q252-K255 PolarHBondContact O-N 3.04Å; Q252-S256 PolarHBondContact O-N 2.84Å; Q252-S256 PolarHBondContact O-OG 3.47Å
253A93.1Very high84Confident51 Ų51110.7 Ų110.742%0.42159%0.587SS.*Hα-helixtrans-61.8-41.7175.400000112.2L249 A250 K255 S256 V257L249-A253 PolarHBondContact O-N 3.46Å; A250-A253 PolarHBondContact O-N 3.22Å; A253-K255 VanDerWaalsContact C-N 3.32Å; A253-K255 PolarHBondContact O-N 2.91Å; A253-S256 WeakPolarHBondContact CA-OG 3.32Å; A253-S256 PolarHBondContact O-N 3.17Å; A253-S256 PolarHBondContact O-OG 3.14Å; A253-V257 VanDerWaalsContact O-CG2 3.27Å; A253-V257 WeakPolarHBondContact O-CG2 3.48Å; A253-V257 PolarHBondContact O-N 3.42Å
254A91.3Very high82Confident63 Ų63109.5 Ų109.552%0.52160%0.601SS.*Hα-helixtrans-63.2-37.8175.700000112.3A250 Q251 Q252 V257 A258A250-A254 WeakPolarHBondContact O-CB 3.37Å; A250-A254 PolarHBondContact O-N 2.76Å; Q251-A254 PolarHBondContact O-N 3.31Å; Q252-A254 PolarHBondContact O-N 3.24Å; A254-V257 PolarHBondContact O-N 3.45Å; A254-A258 PolarHBondContact O-N 3.15Å
255K88.9Confident79.9Confident139 Ų139110.1 Ų110.160%0.60463%0.627SS**Hα-helixtrans-66.8-38.1175.1-74.2173.6-178.8-177.20112.8Q251 Q252 A253 V257Q251-K255 VanDerWaalsContact O-CG 3.3Å; Q251-K255 WeakPolarHBondContact O-CG 3.4Å; Q251-K255 PolarHBondContact O-N 3.23Å; Q252-K255 WeakPolarHBondContact O-CB 3.32Å; Q252-K255 PolarHBondContact O-N 3.04Å; A253-K255 VanDerWaalsContact C-N 3.32Å; A253-K255 PolarHBondContact O-N 2.91Å; K255-V257 VanDerWaalsContact C-N 3.33Å
256S85.4Confident79.1Confident98 Ų98109 Ų10969%0.68563%0.632SS**Hα-helixtrans-72.3-26.2176.955.90000113.4Q252 A253Q252-S256 PolarHBondContact O-N 2.84Å; Q252-S256 PolarHBondContact O-OG 3.47Å; A253-S256 WeakPolarHBondContact CA-OG 3.32Å; A253-S256 PolarHBondContact O-N 3.17Å; A253-S256 PolarHBondContact O-OG 3.14Å
257V83.4Confident78.4Confident115 Ų115108.9 Ų108.970%0.69764%0.64SS**Hα-helixtrans-89.3-19.6-179.8175.70000112.3A253 A254 K255 P259A253-V257 VanDerWaalsContact O-CG2 3.27Å; A253-V257 WeakPolarHBondContact O-CG2 3.48Å; A253-V257 PolarHBondContact O-N 3.42Å; A254-V257 PolarHBondContact O-N 3.45Å; K255-V257 VanDerWaalsContact C-N 3.33Å; V257-P259 VanDerWaalsContact O-CD 3.3Å; V257-P259 WeakPolarHBondContact O-CD 3.3Å; V257-P259 VanDerWaalsContact O-N 3.1Å
258A72.3Confident77.6Confident60 Ų60108.6 Ų108.650%0.49665%0.646SS.*SBendtrans-58.7115.7176.500000109.9A254 T260A254-A258 PolarHBondContact O-N 3.15Å; A258-T260 PolarHBondContact O-N 3.13Å
259P69.5Low76.6Confident120 Ų120107.6 Ų107.678%0.77966%0.656SS**  trans-65.6122.7-175.825-32.2000109.5V257 N261V257-P259 VanDerWaalsContact O-CD 3.3Å; V257-P259 WeakPolarHBondContact O-CD 3.3Å; V257-P259 VanDerWaalsContact O-N 3.1Å; P259-N261 PolarHBondContact O-N 2.93Å
260T63.1Low75.4Confident136 Ų136109.8 Ų109.883%0.83467%0.673SS**  trans-58.6105.7169.1-38.40000107.7A258 P262A258-T260 PolarHBondContact O-N 3.13Å; T260-P262 WeakPolarHBondContact O-CD 3.34Å; T260-P262 VanDerWaalsContact O-N 3.08Å
261N63.2Low74.2Confident138 Ų138113.1 Ų113.174%0.73869%0.685SS**  trans-56.6110.4-176.9-150.114.2000109.5P259 Q263P259-N261 PolarHBondContact O-N 2.93Å; N261-Q263 VanDerWaalsContact C-N 3.3Å; N261-Q263 PolarHBondContact O-N 3.38Å
262P57.4Low72.8Confident120 Ų120115 Ų11578%0.77971%0.705SS**  trans-89.169.8-175.433.8-28.4000109.5T260T260-P262 WeakPolarHBondContact O-CD 3.34Å; T260-P262 VanDerWaalsContact O-N 3.08Å
263Q59Low71.2Confident174 Ų174117.8 Ų117.881%0.81373%0.731SS**  trans-145.271.3171.7-70-166.1-14.600110.5N261N261-Q263 VanDerWaalsContact C-N 3.3Å; N261-Q263 PolarHBondContact O-N 3.38Å
264A49.2Very low69.4Low98 Ų98123.3 Ų123.381%0.8176%0.757SS**  trans-167.473162.800000110.2
265V50.6Low67.4Low219 Ų219128.8 Ų128.8100%1.32778%0.779SS**  trans-135.90152.8-178.10000106.8

Retrieved 265 of 265 residues in 425 ms (Link to these results)