A0A061I597_CRIGR Loading...

Sushi domain-containing protein 4

Acts as a complement inhibitor by disrupting the formation of the classical C3 convertase. Isoform 3 inhibits the classical complement pathway, while membrane-bound isoform 1 inhibits deposition of C3b via both the classical and alternative complement pathways.

AlphaFold DB , UniProt , Accession A0A061I597, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 490 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.5Very low35.1Very low246 Ų246151.5 Ų151.5100%1.21285%0.847SS**  01490-73.3168.8173.800108
2Y29.9Very low34.8Very low209 Ų209144.9 Ų144.982%0.8284%0.839SS**  trans-63.6162.9166.9-79.9-111.9000110.1
3H36.6Very low34.4Very low176 Ų176150.3 Ų150.382%0.81585%0.847SS**  cis-127.4161.99.6-75-95.1000109.1
4G30.3Very low34.1Very low70 Ų70149.1 Ų149.172%0.72284%0.836SS**  95.1127.951.400000109.2
5M34.2Very low34Very low199 Ų199149.5 Ų149.598%0.9883%0.828SS**  cis-138.5172.324-68174.9166.300113.4
6N33Very low33.8Very low164 Ų164150.9 Ų150.988%0.87783%0.827SS**  trans-117.5173-171.5-130.923.1000112.8
7P55Low33.7Very low104 Ų104152.3 Ų152.368%0.67583%0.826SS**  trans-109-148.5-160.844.9-40.4000115.5
8S32.9Very low33.5Very low109 Ų109152.3 Ų152.376%0.76283%0.825SS**  trans91.8154.6176.984.90000115
9N32.8Very low33.1Very low154 Ų154152.1 Ų152.182%0.82482%0.818SS**  cis-157.9169-3.5-135.423.4000109.3
10G30.8Very low33Very low75 Ų75152.2 Ų152.277%0.77381%0.813SS**  trans178.684.6171.100000116.5
11D32.2Very low32.7Very low161 Ų161153.8 Ų153.886%0.86182%0.816SS**  trans-74.5160.7165.9-85.1-57.7000112.3
12G31.4Very low32.4Very low72 Ų72148.9 Ų148.974%0.74279%0.79SS**  trans-84.4-172.2-167.300000116.7
13F29.5Very low32.8Very low215 Ų215145 Ų14594%0.94379%0.79SS**  trans-148.4151.2168.3-144.5-99.8000113.2
14L30.9Very low32.7Very low134 Ų134141.8 Ų141.870%0.70278%0.776SS**  trans-100.4173.8-174.6-137.276000111.8
15E31.7Very low33Very low154 Ų154143.1 Ų143.172%0.7277%0.774SS**  trans68.2105153.9-75.9172.5102.800122.1
16Q31.2Very low33.7Very low173 Ų173139.8 Ų139.881%0.80877%0.767SS**  43.9122.8113.7-85.7176.7-18.500122.8
17Q32.6Very low34.7Very low174 Ų174140.6 Ų140.681%0.81377%0.765SS**  trans9.2130.1140.5-60-171.7-30.700120.2
18L28.8Very low34.6Very low152 Ų152144 Ų14480%0.79677%0.765SS**  -173.6155.9105.7-106.9148.7000114.9
19Q27.3Very low35.6Very low149 Ų149145.6 Ų145.670%0.69676%0.764SS**  trans76.1104.5151.1-116.3137.2-13.300122.9
20Q31.1Very low36.4Very low154 Ų154145.2 Ų145.272%0.7276%0.761SS**  47.8111.2114.3-110.5174.8-0.300119.6
21Q27Very low37.6Very low186 Ų186144.4 Ų144.487%0.86975%0.747SS**  167.6148.1104.4-93.8170-25.100112.8
22Q31.3Very low38.8Very low142 Ų142140.5 Ų140.566%0.66473%0.729SS**  trans-104.3155.6179.9-170.6173.2-88.400110.1Q24Q22-Q24 HydrophobicContact CG-CG 4.26Å
23P37.3Very low39.9Very low128 Ų128141.8 Ų141.883%0.83172%0.718SS**  -132.8138.3124.825.4-9.8000113.1
24Q34.9Very low41Very low109 Ų109137.6 Ų137.651%0.50971%0.705SS.*  trans-99150.7176.9-98.6-178.418.800111.7Q22Q22-Q24 HydrophobicContact CG-CG 4.26Å
25S37.3Very low42Very low97 Ų97141 Ų14168%0.67871%0.708SS**  trans-78.7154.8174.8530000112.9Q27S25-Q27 PolarHBondContact O-N 3.29Å; S25-Q27 VanDerWaalsContact O-N 3.12Å
26P49Very low42.8Very low130 Ų130140.3 Ų140.384%0.84470%0.703SS**THydrogen-bonded Turntrans-89.879.9-165.335.6-36.2000113.3
27Q53.4Low43.7Very low180 Ų180138.5 Ų138.584%0.84170%0.695SS**THydrogen-bonded Turntrans-128.2-6.3166.7-78.3-173-24.300115.1S25S25-Q27 PolarHBondContact O-N 3.29Å; S25-Q27 VanDerWaalsContact O-N 3.12Å
28R54.2Low44.5Very low176 Ų176136.2 Ų136.266%0.66469%0.687SS**SBendtrans-80.9-12.9-179.5-74.8-174.3167.9-161-4.6115.4L30 A31 V32R28-L30 PolarHBondContact O-N 3.43Å; R28-A31 PolarHBondContact O-N 3.37Å; R28-V32 PolarHBondContact O-N 3.37Å
29L51.9Low45.5Very low142 Ų142132.3 Ų132.374%0.74368%0.677SS**Hα-helixtrans-67.5-33.7-169.5-151.675.1000113.8I33L29-I33 WeakPolarHBondContact O-CG1 3.48Å
30L51.3Low46.6Very low146 Ų146131.6 Ų131.676%0.76468%0.677SS**Hα-helixtrans-74.7-29.7179.5-72.9166.1000113.2R28R28-L30 PolarHBondContact O-N 3.43Å
31A54.6Low47.5Very low58 Ų58129.2 Ų129.248%0.47968%0.676SS.*Hα-helixtrans-71.5-36.6178.200000112.4R28 L34 W35R28-A31 PolarHBondContact O-N 3.37Å; A31-L34 PolarHBondContact O-N 3.38Å; A31-W35 PolarHBondContact O-N 3.02Å
32V57.3Low48.5Very low79 Ų79129 Ų12948%0.47967%0.673SS.*Hα-helixtrans-67.7-36.4-179.4176.60000111.8R28 W35 F36R28-V32 PolarHBondContact O-N 3.37Å; V32-W35 PolarHBondContact O-N 2.95Å; V32-F36 HydrophobicContact CG1-CD2 4Å; V32-F36 HydrophobicContact CG1-CE2 4.28Å; V32-F36 PolarHBondContact O-N 3.34Å
33I56.4Low49Very low100 Ų100125.3 Ų125.351%0.51367%0.673SS.*Hα-helixtrans-67.7-37.8179.6-62.6168000111.2L29 F36 Q37L29-I33 WeakPolarHBondContact O-CG1 3.48Å; I33-F36 PolarHBondContact O-N 3.36Å; I33-Q37 PolarHBondContact O-N 3.14Å
34L51.5Low49.4Very low127 Ų127125.1 Ų125.167%0.66567%0.671SS**Hα-helixtrans-67-37.1176.1-124.781000112.4A31A31-L34 PolarHBondContact O-N 3.38Å
35W52.3Low49.6Very low206 Ų206124.1 Ų124.178%0.7868%0.682SS**Hα-helixtrans-67.5-39.6175.1-90.680000112.8A31 V32 Q37 L38 A39A31-W35 PolarHBondContact O-N 3.02Å; V32-W35 PolarHBondContact O-N 2.95Å; W35-Q37 VanDerWaalsContact C-N 3.3Å; W35-Q37 PolarHBondContact O-N 3.38Å; W35-L38 PolarHBondContact O-N 3Å; W35-A39 PolarHBondContact O-N 3.48Å; W35-A39 VanDerWaalsContact O-N 3.1Å
36F47.6Very low50.1Low139 Ų139127.9 Ų127.961%0.6169%0.689SS**Hα-helixtrans-65.2-29.5178.9-104.8-85.3000113.9V32 I33V32-F36 HydrophobicContact CG1-CD2 4Å; V32-F36 HydrophobicContact CG1-CE2 4.28Å; V32-F36 PolarHBondContact O-N 3.34Å; I33-F36 PolarHBondContact O-N 3.36Å
37Q50.1Low49.7Very low135 Ų135129.6 Ų129.663%0.63169%0.69SS**Hα-helixtrans-74.9-31.7175.8-70.7-67.2-47.100112.9I33 W35I33-Q37 PolarHBondContact O-N 3.14Å; W35-Q37 VanDerWaalsContact C-N 3.3Å; W35-Q37 PolarHBondContact O-N 3.38Å
38L49.6Very low49.3Very low126 Ų126127.5 Ų127.566%0.6669%0.69SS**Hα-helixtrans-77.1-30.3175.7-84.4156.7000113W35 L40W35-L38 PolarHBondContact O-N 3Å; L38-L40 VanDerWaalsContact C-N 3.27Å; L38-L40 PolarHBondContact O-N 3.05Å
39A50.8Low48.5Very low70 Ų70122.2 Ų122.258%0.57969%0.69SS**THydrogen-bonded Turntrans-70.3-17.4178.500000114.4W35W35-A39 PolarHBondContact O-N 3.48Å; W35-A39 VanDerWaalsContact O-N 3.1Å
40L50.2Low48Very low134 Ų134118.4 Ų118.470%0.70269%0.685SS**THydrogen-bonded Turntrans-87.6-5.5-178-73.8167.8000114.4L38L38-L40 VanDerWaalsContact C-N 3.27Å; L38-L40 PolarHBondContact O-N 3.05Å
41C50.1Low47.8Very low103 Ų103119.8 Ų119.870%0.69669%0.692SS**SBendtrans-93.2-8.6179.6-73.80000114.9
42F47.6Very low47.3Very low182 Ų182123.7 Ų123.780%0.79871%0.705SS**SBendtrans-118.789.5177.7-69.6-81.4000110.3
43G41.9Very low47.4Very low64 Ų64127.3 Ų127.366%0.6672%0.722SS**  trans-63.8156.4171.600000112.1A45G43-A45 PolarHBondContact O-N 3.29Å; G43-A45 VanDerWaalsContact O-N 3.14Å
44P45Very low48.1Very low124 Ų124127.1 Ų127.181%0.80573%0.725SS**  trans-71.9110.8-173.329.2-34.2000111.2Q46P44-Q46 PolarHBondContact O-N 3.35Å
45A39.7Very low49.5Very low89 Ų89124.7 Ų124.774%0.73671%0.712SS**  trans-70.6112.9160.100000108.4G43 L47G43-A45 PolarHBondContact O-N 3.29Å; G43-A45 VanDerWaalsContact O-N 3.14Å; A45-L47 PolarHBondContact O-N 3.45Å
46Q47.8Very low51.3Low176 Ų176117.2 Ų117.282%0.82269%0.69SS**  trans-7098.1174.1-78159.1-51.500109.9P44P44-Q46 PolarHBondContact O-N 3.35Å
47L39.7Very low53.4Low166 Ų166110.8 Ų110.887%0.86966%0.662SS**  trans-98.280.2159-74174.5000108.7A45 G49A45-L47 PolarHBondContact O-N 3.45Å; L47-G49 PolarHBondContact O-N 3.1Å
48T46.6Very low55.4Low136 Ų136111.2 Ų111.283%0.83467%0.668SS**  trans-73.369157.751.40000108.8
49G36.3Very low57.3Low64 Ų64110 Ų11066%0.6666%0.662SS**  trans-81.8118.1158.400000107.3L47 L51L47-G49 PolarHBondContact O-N 3.1Å; G49-L51 PolarHBondContact O-N 2.94Å
50G42.5Very low59.3Low62 Ų62107.7 Ų107.764%0.63964%0.642SS**  trans-59.9130.916400000108.1D52G50-D52 PolarHBondContact O-N 3.27Å
51L46.3Very low61.3Low175 Ų175102.8 Ų102.892%0.91662%0.624SS**  trans-72.991156.6-87.3158000105.2G49G49-L51 PolarHBondContact O-N 2.94Å
52D44.4Very low63.3Low141 Ų141101.8 Ų101.875%0.75461%0.614SS**  trans-54.8146.4172-74.1-48.9000109.6G50 V54G50-D52 PolarHBondContact O-N 3.27Å; D52-V54 PolarHBondContact O-N 3.05Å
53D59.5Low65.5Low155 Ų15593.7 Ų93.783%0.82958%0.58SS**  trans-45.9109.3-175.4-144.67.7000110.6D55D53-D55 PolarHBondContact O-N 2.96Å; D53-D55 VanDerWaalsContact O-N 3.1Å
54V70Confident67.9Low96 Ų9698.3 Ų98.358%0.58258%0.584SS**  trans-73.6108.5172.9-173.80000105.7D52 V56 L76D52-V54 PolarHBondContact O-N 3.05Å; V54-V56 HydrophobicContact CB-CG2 4.22Å; V54-V56 HydrophobicContact CG1-CG2 3.77Å; V54-V56 WeakPolarHBondContact O-CG2 3.37Å; V54-V56 PolarHBondContact O-N 2.84Å; V54-L76 HydrophobicContact CG1-CD2 4.41Å
55D82Confident70Confident75 Ų7595.1 Ų95.140%0.40156%0.561SS.*  trans-55.2106.6172.1-79.2-40.5000109.3D53 R101 L107D53-D55 PolarHBondContact O-N 2.96Å; D53-D55 VanDerWaalsContact O-N 3.1Å; D55-R101 IonicContact OD1-NH1 2.95Å; D55-R101 IonicContact OD2-CZ 3.66Å; D55-R101 IonicContact OD2-NH1 2.8Å; D55-R101 PolarHBondContact OD2-NH1 3.18Å; D55-R101 IonicContact OD2-NH2 2.66Å; D55-R101 PolarHBondContact OD2-NH2 3.5Å; D55-L107 HydrophobicContact CB-CD1 3.74Å; D55-L107 HydrophobicContact CB-CG 4.34Å; D55-L107 VanDerWaalsContact O-CD1 3.23Å; D55-L107 WeakPolarHBondContact O-CD1 3.2Å
56V90.2Very high72.6Confident50 Ų5091.5 Ų91.530%0.30353%0.531SS..  trans-133.3148.3179175.80000109V54 V74 F75 L76V54-V56 HydrophobicContact CB-CG2 4.22Å; V54-V56 HydrophobicContact CG1-CG2 3.77Å; V54-V56 WeakPolarHBondContact O-CG2 3.37Å; V54-V56 PolarHBondContact O-N 2.84Å; V56-V74 HydrophobicContact CB-CG1 4.22Å; V56-V74 HydrophobicContact CG1-CG1 3.52Å; V56-V74 HydrophobicContact CG2-CG1 3.5Å; V56-V74 VanDerWaalsContact CG2-CG1 3.5Å; V56-F75 WeakPolarHBondContact CG1-O 3.45Å; V56-L76 HydrophobicContact CG2-CD2 4.25Å
57C91.4Very high74.8Confident4 Ų487.9 Ų87.93%0.02751%0.513CS..BIsolated β-bridgetrans-76.8136165.9-75.20000112.2F75 C99 G108 W109C57-F75 HydrophobicContact CB-CB 4.27Å; C57-F75 PolarHBondContact N-O 2.91Å; C57-C99 HydrophobicContact CB-CB 3.83Å; C57-C99 WeakPolarHBondContact CB-SG 3.26Å; C57-C99 WeakPolarHBondContact SG-CA 3.38Å; C57-C99 WeakPolarHBondContact SG-CB 3.34Å; C57-C99 CovalentContact SG-SG 2.03Å; C57-C99 PolarHBondContact SG-SG 3.04Å; C57-G108 VanDerWaalsContact SG-C 3.57Å; C57-G108 WeakPolarHBondContact SG-CA 3.41Å; C57-G108 PolarHBondContact SG-N 2.79Å; C57-W109 HydrophobicContact CB-CD2 4.47Å; C57-W109 HydrophobicContact CB-CZ2 3.87Å
58D91.2Very high77.5Confident143 Ų14380.5 Ų80.577%0.76547%0.474SS*.  trans-44.2146.8168.4-71.9-40.5000112.3P60 W109D58-P60 WeakPolarHBondContact O-CD 3.36Å; D58-P60 VanDerWaalsContact O-N 3.14Å; D58-W109 PolarHBondContact O-NE1 2.87Å
59D91.1Very high79.8Confident100 Ų10077.7 Ų77.754%0.53546%0.457SS..  trans-58.2121.3174.6-175.3-52.3000109.8G61 R68D59-G61 PolarHBondContact O-N 3.11Å; D59-G61 VanDerWaalsContact O-N 3.11Å; D59-G61 VanDerWaalsContact OD1-CA 3.26Å; D59-G61 WeakPolarHBondContact OD1-CA 3.48Å; D59-G61 PolarHBondContact OD1-N 2.66Å; D59-R68 IonicContact OD1-CZ 2.72Å; D59-R68 IonicContact OD1-NH1 3.7Å; D59-R68 PolarHBondContact OD1-NH1 2.86Å; D59-R68 IonicContact OD1-NH2 2.91Å; D59-R68 IonicContact OD2-CZ 2.88Å; D59-R68 IonicContact OD2-NH1 3.9Å; D59-R68 PolarHBondContact OD2-NH1 3.12Å; D59-R68 IonicContact OD2-NH2 3.35Å; D59-R68 PolarHBondContact OD2-NH2 2.72Å
60P91.1Very high82.3Confident23 Ų2377.3 Ų77.315%0.14944%0.443CS..  trans-73.5-0.6-175.629.1-34000113.9D58 F75 A81 F83 W109D58-P60 WeakPolarHBondContact O-CD 3.36Å; D58-P60 VanDerWaalsContact O-N 3.14Å; P60-F75 HydrophobicContact CG-CE2 4.3Å; P60-A81 HydrophobicContact CG-CB 3.95Å; P60-F83 HydrophobicContact CB-CZ 3.96Å; P60-F83 HydrophobicContact CG-CZ 4.01Å; P60-W109 HydrophobicContact CB-CD2 4.17Å; P60-W109 HydrophobicContact CB-CG 4.38Å; P60-W109 HydrophobicContact CB-CZ2 4.16Å; P60-W109 HydrophobicContact CG-CH2 4.29Å; P60-W109 HydrophobicContact CG-CZ2 3.65Å
61G92.1Very high84.5Confident31 Ų3178.5 Ų78.532%0.3244%0.441SS..  trans79.9173-173.300000113.4D59 R68D59-G61 PolarHBondContact O-N 3.11Å; D59-G61 VanDerWaalsContact O-N 3.11Å; D59-G61 VanDerWaalsContact OD1-CA 3.26Å; D59-G61 WeakPolarHBondContact OD1-CA 3.48Å; D59-G61 PolarHBondContact OD1-N 2.66Å; G61-R68 VanDerWaalsContact C-NH1 3.3Å; G61-R68 PolarHBondContact O-NH1 3.45Å
62V93.3Very high86.5Confident81 Ų8178.2 Ų78.249%0.49144%0.435SS..  trans-115.2128.8164.4-176.50000107.1R68V62-R68 HydrophobicContact CG1-CB 4.5Å; V62-R68 HydrophobicContact CG2-CB 4.08Å
63P93.7Very high88.4Confident12 Ų1273.8 Ų73.88%0.07842%0.423CS..  trans-63.6138.5177.924.1-32.5000111.1N65 G66 F83 C117P63-N65 PolarHBondContact O-N 3.4Å; P63-G66 CarbonylContact O-C 3.59Å; P63-G66 PolarHBondContact O-N 3.13Å; P63-F83 HydrophobicContact CG-CD1 4.31Å; P63-C117 HydrophobicContact CB-CB 4.34Å
64Q91.8Very high89.8Confident161 Ų16171.3 Ų71.375%0.75241%0.413SS*.THydrogen-bonded Turntrans-59.9134.2171.3-172.9176.19.800109.6G66 C117Q64-G66 VanDerWaalsContact C-N 3.26Å; Q64-G66 PolarHBondContact O-N 3.05Å; Q64-C117 WeakPolarHBondContact O-CB 3.35Å
65N90.4Very high90.9Very high58 Ų5867 Ų6731%0.3139%0.386SS..THydrogen-bonded Turntrans59.534-171.5-43.2-42.2000113.7P63 Q86 F89P63-N65 PolarHBondContact O-N 3.4Å; N65-Q86 WeakPolarHBondContact O-CB 2.93Å; N65-Q86 PolarHBondContact O-N 2.91Å; N65-F89 HydrophobicContact CB-CD1 3.83Å; N65-F89 HydrophobicContact CB-CD2 3.58Å; N65-F89 HydrophobicContact CB-CE1 3.83Å; N65-F89 HydrophobicContact CB-CE2 3.58Å; N65-F89 HydrophobicContact CB-CG 3.73Å; N65-F89 HydrophobicContact CB-CZ 3.72Å; N65-F89 WeakPolarHBondContact ND2-CE1 2.98Å; N65-F89 WeakPolarHBondContact ND2-CZ 3.02Å
66G93.1Very high91.4Very high12 Ų1267.6 Ų67.612%0.12439%0.389CS..EExtended strand (participates in β ladder)trans-150.9-174.4173.300000112.3P63 Q64 N84P63-G66 CarbonylContact O-C 3.59Å; P63-G66 PolarHBondContact O-N 3.13Å; Q64-G66 VanDerWaalsContact C-N 3.26Å; Q64-G66 PolarHBondContact O-N 3.05Å; G66-N84 CarbonylContact C-O 3.59Å; G66-N84 WeakPolarHBondContact CA-O 3.06Å
67F95Very high91.5Very high100 Ų10069.1 Ų69.144%0.43939%0.393SS..EExtended strand (participates in β ladder)trans-140.3155.7-179.657.1-83.5000111.1N84F67-N84 HydrophobicContact CD1-CB 4.08Å; F67-N84 HydrophobicContact CD2-CB 3.96Å; F67-N84 HydrophobicContact CE1-CB 3.59Å; F67-N84 HydrophobicContact CE2-CB 3.47Å; F67-N84 VanDerWaalsContact CE2-CB 3.47Å; F67-N84 HydrophobicContact CG-CB 4.25Å; F67-N84 HydrophobicContact CZ-CB 3.28Å; F67-N84 PolarHBondContact N-O 2.72Å; F67-N84 PolarHBondContact O-N 3.17Å
68R94.9Very high91.5Very high11 Ų1174.5 Ų74.54%0.04242%0.422CS..EExtended strand (participates in β ladder)trans-119.5141.7177.1-178.2-173.364.8-158.510.9109.8D59 G61 V62 P70 S71 A81 R82 F83D59-R68 IonicContact OD1-CZ 2.72Å; D59-R68 IonicContact OD1-NH1 3.7Å; D59-R68 PolarHBondContact OD1-NH1 2.86Å; D59-R68 IonicContact OD1-NH2 2.91Å; D59-R68 IonicContact OD2-CZ 2.88Å; D59-R68 IonicContact OD2-NH1 3.9Å; D59-R68 PolarHBondContact OD2-NH1 3.12Å; D59-R68 IonicContact OD2-NH2 3.35Å; D59-R68 PolarHBondContact OD2-NH2 2.72Å; G61-R68 VanDerWaalsContact C-NH1 3.3Å; G61-R68 PolarHBondContact O-NH1 3.45Å; V62-R68 HydrophobicContact CG1-CB 4.5Å; V62-R68 HydrophobicContact CG2-CB 4.08Å; R68-P70 WeakPolarHBondContact CG-O 3.48Å; R68-P70 PolarHBondContact NE-O 2.72Å; R68-P70 CarbonylContact O-C 3.5Å; R68-S71 PolarHBondContact NH2-O 3.49Å; R68-S71 WeakPolarHBondContact O-CA 3.23Å; R68-S71 PolarHBondContact O-N 3.1Å; R68-A81 HydrophobicContact CG-CB 4.33Å; R68-R82 CarbonylContact C-O 3.37Å; R68-R82 VanDerWaalsContact CA-O 3.24Å; R68-R82 WeakPolarHBondContact CA-O 3.17Å; R68-F83 HydrophobicContact CB-CD1 4.13Å; R68-F83 HydrophobicContact CB-CE1 4.1Å; R68-F83 HydrophobicContact CG-CD1 4.1Å; R68-F83 HydrophobicContact CG-CE1 3.72Å; R68-F83 HydrophobicContact CG-CZ 4.23Å
69T94.7Very high91.6Very high78 Ų7870.8 Ų70.848%0.47940%0.402SS..EExtended strand (participates in β ladder)trans-119.1124.1169.3-53.60000109.6R82T69-R82 PolarHBondContact N-O 2.8Å; T69-R82 PolarHBondContact O-N 2.93Å
70P90.5Very high91.8Very high56 Ų5667.5 Ų67.536%0.36439%0.388SS..SBendcis-66.1152.3-8.629.6-35.7000112.9R68 F75R68-P70 WeakPolarHBondContact CG-O 3.48Å; R68-P70 PolarHBondContact NE-O 2.72Å; R68-P70 CarbonylContact O-C 3.5Å; P70-F75 HydrophobicContact CG-CE1 3.68Å; P70-F75 HydrophobicContact CG-CZ 4.13Å
71S88.6Confident91.9Very high86 Ų8666.4 Ų66.460%0.60138%0.381SS*.SBendtrans-70.7-45.4-177.650.50000112R68R68-S71 PolarHBondContact NH2-O 3.49Å; R68-S71 WeakPolarHBondContact O-CA 3.23Å; R68-S71 PolarHBondContact O-N 3.1Å
72E86.6Confident92.1Very high169 Ų16971.1 Ų71.179%0.7939%0.39SS*.SBendtrans-131.1152.3177-62.5-175.3171.300109.6
73G86.1Confident92.3Very high49 Ų4967.5 Ų67.551%0.50537%0.367SS..  trans153.9173.5178.700000113.5
74V89.1Confident92.3Very high102 Ų10270.7 Ų70.762%0.61838%0.384SS*.  trans-104.2127.9172.8176.50000106.6V56V56-V74 HydrophobicContact CB-CG1 4.22Å; V56-V74 HydrophobicContact CG1-CG1 3.52Å; V56-V74 HydrophobicContact CG2-CG1 3.5Å; V56-V74 VanDerWaalsContact CG2-CG1 3.5Å
75F92.4Very high92.3Very high5 Ų564.3 Ų64.32%0.02236%0.357CS..BIsolated β-bridgetrans-100.1104.9-171.5-64.6-80.5000112V56 C57 P60 P70 D79 A81 W109V56-F75 WeakPolarHBondContact CG1-O 3.45Å; C57-F75 HydrophobicContact CB-CB 4.27Å; C57-F75 PolarHBondContact N-O 2.91Å; P60-F75 HydrophobicContact CG-CE2 4.3Å; P70-F75 HydrophobicContact CG-CE1 3.68Å; P70-F75 HydrophobicContact CG-CZ 4.13Å; F75-D79 HydrophobicContact CB-CB 4.43Å; F75-D79 HydrophobicContact CD1-CB 4.23Å; F75-A81 HydrophobicContact CE1-CB 4.29Å; F75-W109 HydrophobicContact CB-CH2 3.83Å; F75-W109 HydrophobicContact CB-CZ2 3.68Å; F75-W109 AromaticContact CD1-CH2 3.57Å; F75-W109 HydrophobicContact CD1-CH2 3.57Å; F75-W109 AromaticContact CD1-CZ2 3.97Å; F75-W109 HydrophobicContact CD1-CZ2 3.97Å; F75-W109 HydrophobicContact CD2-CH2 4.3Å; F75-W109 AromaticContact CD2-CZ2 3.84Å; F75-W109 HydrophobicContact CD2-CZ2 3.84Å; F75-W109 HydrophobicContact CE1-CH2 4.15Å; F75-W109 HydrophobicContact CE2-CZ2 4.46Å; F75-W109 AromaticContact CG-CH2 3.64Å; F75-W109 HydrophobicContact CG-CH2 3.64Å; F75-W109 AromaticContact CG-CZ2 3.56Å; F75-W109 HydrophobicContact CG-CZ2 3.56Å
76L92.1Very high92.3Very high88 Ų8866.6 Ų66.646%0.46137%0.365SS..  trans-82.2169.9179.3-62.4174.3000112.1V54 V56 N78 D79 C99V54-L76 HydrophobicContact CG1-CD2 4.41Å; V56-L76 HydrophobicContact CG2-CD2 4.25Å; L76-N78 PolarHBondContact O-N 2.03Å; L76-D79 PolarHBondContact N-OD2 2.95Å; L76-D79 VanDerWaalsContact O-CB 3.3Å; L76-D79 WeakPolarHBondContact O-CB 3.38Å; L76-D79 PolarHBondContact O-N 2.94Å; L76-C99 VanDerWaalsContact O-CB 3.32Å; L76-C99 WeakPolarHBondContact O-CB 3.32Å; L76-C99 PolarHBondContact O-SG 2.64Å; L76-C99 VanDerWaalsContact O-SG 3.4Å
77E92Very high91.6Very high82 Ų8273.2 Ų73.238%0.38340%0.398SS..THydrogen-bonded Turntrans-56.3125.6176.1-166.5170.3164.900111.8R101 L107E77-R101 HydrophobicContact CG-CB 4.49Å; E77-R101 WeakPolarHBondContact OE1-CB 3.49Å; E77-R101 IonicContact OE1-NE 3.05Å; E77-R101 IonicContact OE2-CZ 3.78Å; E77-R101 VanDerWaalsContact OE2-CZ 3.3Å; E77-R101 IonicContact OE2-NE 3.96Å; E77-R101 PolarHBondContact OE2-NE 3.1Å; E77-R101 IonicContact OE2-NH2 3.75Å; E77-R101 PolarHBondContact OE2-NH2 2.82Å; E77-L107 HydrophobicContact CB-CD1 4.47Å; E77-L107 HydrophobicContact CB-CD2 3.84Å; E77-L107 HydrophobicContact CG-CD2 3.7Å
78N90.7Very high90.4Very high118 Ų11868.7 Ų68.763%0.63138%0.38SS*.THydrogen-bonded Turntrans79.7-0.4-171.9-47.5-79.3000117.1L76 C99L76-N78 PolarHBondContact O-N 2.03Å; N78-C99 VanDerWaalsContact CA-O 3.31Å; N78-C99 WeakPolarHBondContact CA-O 3.03Å; N78-C99 PolarHBondContact N-O 2.87Å
79D94.1Very high89.8Confident64 Ų6470.3 Ų70.334%0.34239%0.387SS..  trans-64.9152.5174.2-79.8-21.4000112.6F75 L76 L98 C99F75-D79 HydrophobicContact CB-CB 4.43Å; F75-D79 HydrophobicContact CD1-CB 4.23Å; L76-D79 PolarHBondContact N-OD2 2.95Å; L76-D79 VanDerWaalsContact O-CB 3.3Å; L76-D79 WeakPolarHBondContact O-CB 3.38Å; L76-D79 PolarHBondContact O-N 2.94Å; D79-L98 CarbonylContact O-C 3.57Å; D79-L98 WeakPolarHBondContact O-CA 3.31Å; D79-C99 PolarHBondContact O-N 3Å
80A94.6Very high89.3Confident31 Ų3172.5 Ų72.526%0.25639%0.387SS..EExtended strand (participates in β ladder)trans-119.8120.8-176.400000112.2R97 L98A80-R97 WeakPolarHBondContact CA-O 2.95Å; A80-L98 HydrophobicContact CB-CD2 3.77Å
81A95Very high89.2Confident0 Ų072.4 Ų72.40%038%0.383CS..EExtended strand (participates in β ladder)trans-92.9123.516500000109.3P60 R68 F75 F83 K96 R97 W109P60-A81 HydrophobicContact CG-CB 3.95Å; R68-A81 HydrophobicContact CG-CB 4.33Å; F75-A81 HydrophobicContact CE1-CB 4.29Å; A81-F83 HydrophobicContact CB-CE2 3.71Å; A81-F83 HydrophobicContact CB-CZ 3.61Å; A81-F83 WeakPolarHBondContact O-CE2 3.21Å; A81-K96 WeakPolarHBondContact O-CA 3.3Å; A81-R97 PolarHBondContact N-O 2.86Å; A81-R97 PolarHBondContact O-N 2.9Å; A81-W109 HydrophobicContact CB-CH2 3.77Å; A81-W109 HydrophobicContact CB-CZ3 3.8Å
82R96.2Very high89.3Confident131 Ų13175.2 Ų75.249%0.49438%0.384SS..EExtended strand (participates in β ladder)trans-106.8142173.4-65.8176.6-173.8-98.39.7109.9R68 T69 S95 K96R68-R82 CarbonylContact C-O 3.37Å; R68-R82 VanDerWaalsContact CA-O 3.24Å; R68-R82 WeakPolarHBondContact CA-O 3.17Å; T69-R82 PolarHBondContact N-O 2.8Å; T69-R82 PolarHBondContact O-N 2.93Å; R82-S95 CarbonylContact C-O 3.51Å; R82-S95 WeakPolarHBondContact CA-O 3.32Å; R82-K96 HydrophobicContact CG-CB 4.43Å; R82-K96 HydrophobicContact CG-CG 4.12Å
83F96.4Very high89.5Confident4 Ų469 Ų692%0.01837%0.365CS..EExtended strand (participates in β ladder)trans-126.1132.7-174.3-57-85.3000110.9P60 P63 R68 A81 L91 S95 R97 A115P60-F83 HydrophobicContact CB-CZ 3.96Å; P60-F83 HydrophobicContact CG-CZ 4.01Å; P63-F83 HydrophobicContact CG-CD1 4.31Å; R68-F83 HydrophobicContact CB-CD1 4.13Å; R68-F83 HydrophobicContact CB-CE1 4.1Å; R68-F83 HydrophobicContact CG-CD1 4.1Å; R68-F83 HydrophobicContact CG-CE1 3.72Å; R68-F83 HydrophobicContact CG-CZ 4.23Å; A81-F83 HydrophobicContact CB-CE2 3.71Å; A81-F83 HydrophobicContact CB-CZ 3.61Å; A81-F83 WeakPolarHBondContact O-CE2 3.21Å; F83-L91 HydrophobicContact CB-CD1 4.09Å; F83-L91 HydrophobicContact CB-CD2 4.27Å; F83-S95 PolarHBondContact N-O 2.95Å; F83-R97 HydrophobicContact CD2-CG 4.39Å; F83-R97 HydrophobicContact CE2-CB 4.15Å; F83-R97 HydrophobicContact CE2-CG 3.79Å; F83-A115 HydrophobicContact CB-CB 3.67Å; F83-A115 HydrophobicContact CD1-CB 3.75Å; F83-A115 HydrophobicContact CD2-CB 3.76Å; F83-A115 HydrophobicContact CE1-CB 4.33Å; F83-A115 HydrophobicContact CE2-CB 4.37Å; F83-A115 HydrophobicContact CG-CB 3.41Å; F83-A115 VanDerWaalsContact CG-CB 3.41Å
84N94.4Very high89.9Confident80 Ų8067.7 Ų67.743%0.42835%0.349SS..EExtended strand (participates in β ladder)trans-135155.4178.1-7478.4000108.8G66 F67G66-N84 CarbonylContact C-O 3.59Å; G66-N84 WeakPolarHBondContact CA-O 3.06Å; F67-N84 HydrophobicContact CD1-CB 4.08Å; F67-N84 HydrophobicContact CD2-CB 3.96Å; F67-N84 HydrophobicContact CE1-CB 3.59Å; F67-N84 HydrophobicContact CE2-CB 3.47Å; F67-N84 VanDerWaalsContact CE2-CB 3.47Å; F67-N84 HydrophobicContact CG-CB 4.25Å; F67-N84 HydrophobicContact CZ-CB 3.28Å; F67-N84 PolarHBondContact N-O 2.72Å; F67-N84 PolarHBondContact O-N 3.17Å
85C92Very high90.2Very high27 Ų2766.6 Ų66.618%0.18235%0.345CS..EExtended strand (participates in β ladder)trans-105156.3177.3-61.50000111.2F89 L91 C117C85-F89 HydrophobicContact CB-CB 3.94Å; C85-F89 WeakPolarHBondContact CB-O 3.35Å; C85-L91 VanDerWaalsContact SG-CA 3.5Å; C85-L91 VanDerWaalsContact SG-CD1 3.54Å; C85-L91 PolarHBondContact SG-N 2.69Å; C85-L91 VanDerWaalsContact SG-N 3.44Å; C85-C117 WeakPolarHBondContact CA-SG 3.24Å; C85-C117 HydrophobicContact CB-CB 3.84Å; C85-C117 WeakPolarHBondContact CB-SG 3.44Å; C85-C117 WeakPolarHBondContact SG-CA 3.2Å; C85-C117 WeakPolarHBondContact SG-CB 3.35Å; C85-C117 CovalentContact SG-SG 2.04Å; C85-C117 PolarHBondContact SG-SG 3.14Å
86Q88.9Confident90.3Very high106 Ų10670.4 Ų70.450%0.49536%0.362SS..  trans-70.8160.3166.2-66.4173.4-22.800109.9N65 G88 F89N65-Q86 WeakPolarHBondContact O-CB 2.93Å; N65-Q86 PolarHBondContact O-N 2.91Å; Q86-G88 PolarHBondContact O-N 2.88Å; Q86-F89 PolarHBondContact O-N 3.44Å; Q86-F89 VanDerWaalsContact O-N 3.14Å
87D79.3Confident90.4Very high150 Ų15067 Ų6780%0.80234%0.343SS*.THydrogen-bonded Turntrans-54.7127.8176.6-61.3-51.9000110.8
88G70.3Confident90.6Very high6 Ų665.7 Ų65.76%0.06234%0.338CS..THydrogen-bonded Turntrans98.90-175.800000116.3Q86 N167Q86-G88 PolarHBondContact O-N 2.88Å; G88-N167 VanDerWaalsContact CA-CB 3.45Å; G88-N167 WeakPolarHBondContact CA-OD1 3.44Å; G88-N167 VanDerWaalsContact N-CG 3.29Å; G88-N167 PolarHBondContact N-ND2 3.09Å
89F82.2Confident90.8Very high44 Ų4460.1 Ų60.119%0.19331%0.308CS..  trans-127.8135.9176.7-60.1-95.5000111.2N65 C85 Q86 C117 V118 Q119N65-F89 HydrophobicContact CB-CD1 3.83Å; N65-F89 HydrophobicContact CB-CD2 3.58Å; N65-F89 HydrophobicContact CB-CE1 3.83Å; N65-F89 HydrophobicContact CB-CE2 3.58Å; N65-F89 HydrophobicContact CB-CG 3.73Å; N65-F89 HydrophobicContact CB-CZ 3.72Å; N65-F89 WeakPolarHBondContact ND2-CE1 2.98Å; N65-F89 WeakPolarHBondContact ND2-CZ 3.02Å; C85-F89 HydrophobicContact CB-CB 3.94Å; C85-F89 WeakPolarHBondContact CB-O 3.35Å; Q86-F89 PolarHBondContact O-N 3.44Å; Q86-F89 VanDerWaalsContact O-N 3.14Å; F89-C117 HydrophobicContact CB-CB 3.84Å; F89-V118 CarbonylContact C-O 3.56Å; F89-V118 WeakPolarHBondContact CA-O 3.45Å; F89-Q119 HydrophobicContact CD1-CB 3.92Å; F89-Q119 HydrophobicContact CE1-CB 3.72Å
90R83.4Confident90.8Very high125 Ų12560.5 Ų60.547%0.47231%0.309SS..EExtended strand (participates in β ladder)trans-97.5135.1176.5-67.1-71.4-69.3-86.7-8.4109.2K92 C117 V118 E120 D168R90-K92 PolarHBondContact O-N 3.45Å; R90-C117 WeakPolarHBondContact O-CA 3.38Å; R90-V118 PolarHBondContact N-O 3.04Å; R90-V118 PolarHBondContact O-N 2.89Å; R90-E120 HydrophobicContact CB-CG 4.48Å; R90-D168 PolarHBondContact NH1-O 3.38Å
91L89.5Confident90.7Very high53 Ų5363.8 Ų63.828%0.27732%0.315SS..EExtended strand (participates in β ladder)trans-75.3116.9176.4-16779.3000110F83 C85 S95 A115F83-L91 HydrophobicContact CB-CD1 4.09Å; F83-L91 HydrophobicContact CB-CD2 4.27Å; C85-L91 VanDerWaalsContact SG-CA 3.5Å; C85-L91 VanDerWaalsContact SG-CD1 3.54Å; C85-L91 PolarHBondContact SG-N 2.69Å; C85-L91 VanDerWaalsContact SG-N 3.44Å; L91-S95 VanDerWaalsContact CD2-CA 3.4Å; L91-A115 HydrophobicContact CD1-CB 4.06Å
92K90.4Very high90.4Very high145 Ų14568 Ų6863%0.6333%0.333SS*.EExtended strand (participates in β ladder)trans-98.8123.6168.1-170.9171.9-175.6171.70108.9R90 V116 V118R90-K92 PolarHBondContact O-N 3.45Å; K92-V116 PolarHBondContact N-O 3.47Å; K92-V116 PolarHBondContact O-N 2.92Å; K92-V118 HydrophobicContact CB-CG2 4.16Å
93G91.3Very high90.1Very high38 Ų3872.6 Ų72.639%0.39236%0.357SS..SBendtrans97.4-171.2-176.100000113.9S95 D113G93-S95 PolarHBondContact O-N 2.81Å; G93-D113 VanDerWaalsContact C-OD2 3.31Å; G93-D113 WeakPolarHBondContact CA-OD2 3.48Å
94S93.8Very high89.7Confident23 Ų2378.2 Ų78.216%0.16139%0.387CS..  trans-66.1117.3-171.2-67.70000114.1K96 P111 D113S94-K96 VanDerWaalsContact C-N 3.26Å; S94-K96 PolarHBondContact O-N 2.83Å; S94-P111 WeakPolarHBondContact OG-CB 3.36Å; S94-P111 WeakPolarHBondContact OG-CG 3.01Å; S94-D113 WeakPolarHBondContact CB-OD1 3.44Å; S94-D113 PolarHBondContact N-OD2 3.37Å; S94-D113 PolarHBondContact OG-OD1 3.17Å; S94-D113 PolarHBondContact OG-OD2 3.31Å
95S94.6Very high89.2Confident78 Ų7876 Ų7655%0.54538%0.383SS..SBendtrans-70.9-17.2173.960.70000114.6R82 F83 L91 G93R82-S95 CarbonylContact C-O 3.51Å; R82-S95 WeakPolarHBondContact CA-O 3.32Å; F83-S95 PolarHBondContact N-O 2.95Å; L91-S95 VanDerWaalsContact CD2-CA 3.4Å; G93-S95 PolarHBondContact O-N 2.81Å
96K95.3Very high89.1Confident85 Ų8577.1 Ų77.137%0.3739%0.392SS..EExtended strand (participates in β ladder)trans-138.5130.9170.1-174.8-171.2179.6-163.80108.7A81 R82 S94A81-K96 WeakPolarHBondContact O-CA 3.3Å; R82-K96 HydrophobicContact CG-CB 4.43Å; R82-K96 HydrophobicContact CG-CG 4.12Å; S94-K96 VanDerWaalsContact C-N 3.26Å; S94-K96 PolarHBondContact O-N 2.83Å
97R94.9Very high89.3Confident16 Ų1673.2 Ų73.26%0.0637%0.374CS..EExtended strand (participates in β ladder)trans-122.1144.1172.6-55.917672.9-161.69.1108.4A80 A81 F83 W109 P111 S112 D113A80-R97 WeakPolarHBondContact CA-O 2.95Å; A81-R97 PolarHBondContact N-O 2.86Å; A81-R97 PolarHBondContact O-N 2.9Å; F83-R97 HydrophobicContact CD2-CG 4.39Å; F83-R97 HydrophobicContact CE2-CB 4.15Å; F83-R97 HydrophobicContact CE2-CG 3.79Å; R97-W109 HydrophobicContact CB-CD2 4.42Å; R97-W109 HydrophobicContact CB-CE3 3.66Å; R97-W109 HydrophobicContact CB-CZ3 4.32Å; R97-W109 VanDerWaalsContact CZ-CB 3.49Å; R97-W109 WeakPolarHBondContact O-CZ3 3.04Å; R97-P111 PolarHBondContact NE-O 3.34Å; R97-P111 PolarHBondContact NH2-O 2.85Å; R97-P111 VanDerWaalsContact NH2-O 3.13Å; R97-S112 VanDerWaalsContact NH2-C 3.27Å; R97-S112 PolarHBondContact NH2-O 2.99Å; R97-S112 VanDerWaalsContact NH2-O 3.1Å; R97-D113 PolarHBondContact NE-O 2.92Å; R97-D113 PolarHBondContact NH2-O 2.8Å; R97-D113 VanDerWaalsContact NH2-O 3.17Å
98L95.5Very high89.9Confident56 Ų5666.7 Ų66.729%0.29334%0.342SS..EExtended strand (participates in β ladder)trans-112.4135.7179.7-66.5173.8000109.5D79 A80 M100 W109 V110D79-L98 CarbonylContact O-C 3.57Å; D79-L98 WeakPolarHBondContact O-CA 3.31Å; A80-L98 HydrophobicContact CB-CD2 3.77Å; L98-M100 HydrophobicContact CB-CG 3.92Å; L98-M100 HydrophobicContact CB-SD 4.45Å; L98-M100 HydrophobicContact CD1-SD 4.5Å; L98-M100 PolarHBondContact O-N 3.42Å; L98-W109 VanDerWaalsContact C-CE3 3.41Å; L98-W109 WeakPolarHBondContact O-CA 3.49Å; L98-V110 PolarHBondContact N-O 3.02Å; L98-V110 PolarHBondContact O-N 2.72Å
99C94.9Very high91.1Very high0 Ų067.4 Ų67.40%034%0.343CS..EExtended strand (participates in β ladder)trans-76.3114.3167.5-178.70000108.2C57 L76 N78 D79 W109C57-C99 HydrophobicContact CB-CB 3.83Å; C57-C99 WeakPolarHBondContact CB-SG 3.26Å; C57-C99 WeakPolarHBondContact SG-CA 3.38Å; C57-C99 WeakPolarHBondContact SG-CB 3.34Å; C57-C99 CovalentContact SG-SG 2.03Å; C57-C99 PolarHBondContact SG-SG 3.04Å; L76-C99 VanDerWaalsContact O-CB 3.32Å; L76-C99 WeakPolarHBondContact O-CB 3.32Å; L76-C99 PolarHBondContact O-SG 2.64Å; L76-C99 VanDerWaalsContact O-SG 3.4Å; N78-C99 VanDerWaalsContact CA-O 3.31Å; N78-C99 WeakPolarHBondContact CA-O 3.03Å; N78-C99 PolarHBondContact N-O 2.87Å; D79-C99 PolarHBondContact O-N 3Å; C99-W109 HydrophobicContact CB-CE3 4.42Å; C99-W109 HydrophobicContact CB-CH2 4.1Å; C99-W109 HydrophobicContact CB-CZ3 4.05Å
100M94.1Very high91.6Very high73 Ų7367.5 Ų67.536%0.3635%0.347SS..EExtended strand (participates in β ladder)trans-132150.2-178-59.2-152.1-52.300111.5L98 L107 G108 V110L98-M100 HydrophobicContact CB-CG 3.92Å; L98-M100 HydrophobicContact CB-SD 4.45Å; L98-M100 HydrophobicContact CD1-SD 4.5Å; L98-M100 PolarHBondContact O-N 3.42Å; M100-L107 WeakPolarHBondContact O-CA 3.31Å; M100-G108 PolarHBondContact N-O 3.48Å; M100-G108 PolarHBondContact O-N 2.8Å; M100-V110 HydrophobicContact CB-CG2 4.25Å; M100-V110 HydrophobicContact CE-CB 3.76Å; M100-V110 HydrophobicContact CE-CG1 3.83Å; M100-V110 HydrophobicContact CE-CG2 3.81Å
101R92.6Very high92.1Very high99 Ų9964.4 Ų64.437%0.37434%0.343SS..EExtended strand (participates in β ladder)trans-82.4126.1175.2-166.1174.3-66-100.67.9110.9D55 E77 G105 L107D55-R101 IonicContact OD1-NH1 2.95Å; D55-R101 IonicContact OD2-CZ 3.66Å; D55-R101 IonicContact OD2-NH1 2.8Å; D55-R101 PolarHBondContact OD2-NH1 3.18Å; D55-R101 IonicContact OD2-NH2 2.66Å; D55-R101 PolarHBondContact OD2-NH2 3.5Å; E77-R101 HydrophobicContact CG-CB 4.49Å; E77-R101 WeakPolarHBondContact OE1-CB 3.49Å; E77-R101 IonicContact OE1-NE 3.05Å; E77-R101 IonicContact OE2-CZ 3.78Å; E77-R101 VanDerWaalsContact OE2-CZ 3.3Å; E77-R101 IonicContact OE2-NE 3.96Å; E77-R101 PolarHBondContact OE2-NE 3.1Å; E77-R101 IonicContact OE2-NH2 3.75Å; E77-R101 PolarHBondContact OE2-NH2 2.82Å; R101-G105 WeakPolarHBondContact CG-O 3.42Å; R101-G105 PolarHBondContact NH1-O 3.43Å; R101-L107 HydrophobicContact CB-CD2 3.81Å; R101-L107 HydrophobicContact CG-CD2 4.43Å
102F89.3Confident92.2Very high88 Ų8866.7 Ų66.739%0.38636%0.364SS..  trans-83.3161.9174.5-66-65.8000111.3N104 G105 S106 V110F102-N104 WeakPolarHBondContact CB-OD1 3.39Å; F102-N104 PolarHBondContact O-N 2.85Å; F102-G105 PolarHBondContact O-N 2.85Å; F102-S106 PolarHBondContact N-O 2.97Å; F102-V110 HydrophobicContact CE1-CG2 3.71Å; F102-V110 HydrophobicContact CZ-CG2 3.77Å
103F88.9Confident92.4Very high228 Ų22862.7 Ų62.7100%135%0.349SS*.THydrogen-bonded Turntrans-60.2-17-178.8-62.2-74.4000115.1G105F103-G105 VanDerWaalsContact C-N 3.3Å
104N88.4Confident92.4Very high122 Ų12268.7 Ų68.765%0.65236%0.364SS*.THydrogen-bonded Turntrans-84.91.2174.267.5-17.6000113.3F102 S106F102-N104 WeakPolarHBondContact CB-OD1 3.39Å; F102-N104 PolarHBondContact O-N 2.85Å; N104-S106 VanDerWaalsContact CG-OG 3.26Å; N104-S106 PolarHBondContact ND2-OG 3.28Å; N104-S106 PolarHBondContact OD1-N 3.4Å; N104-S106 PolarHBondContact OD1-OG 2.78Å
105G83.9Confident92.4Very high33 Ų3368.2 Ų68.234%0.3436%0.362SS..SBendtrans92.5-20.5-178.800000115.1R101 F102 F103R101-G105 WeakPolarHBondContact CG-O 3.42Å; R101-G105 PolarHBondContact NH1-O 3.43Å; F102-G105 PolarHBondContact O-N 2.85Å; F103-G105 VanDerWaalsContact C-N 3.3Å
106S89.6Confident92.3Very high51 Ų5167.9 Ų67.936%0.35736%0.356SS..  trans-76.6147.4-17962.90000112.5F102 N104F102-S106 PolarHBondContact N-O 2.97Å; N104-S106 VanDerWaalsContact CG-OG 3.26Å; N104-S106 PolarHBondContact ND2-OG 3.28Å; N104-S106 PolarHBondContact OD1-N 3.4Å; N104-S106 PolarHBondContact OD1-OG 2.78Å
107L92.3Very high92.2Very high25 Ų2564.3 Ų64.313%0.13134%0.342CS..EExtended strand (participates in β ladder)trans-82.1152.3168.1-73.5176.5000112.2D55 E77 M100 R101D55-L107 HydrophobicContact CB-CD1 3.74Å; D55-L107 HydrophobicContact CB-CG 4.34Å; D55-L107 VanDerWaalsContact O-CD1 3.23Å; D55-L107 WeakPolarHBondContact O-CD1 3.2Å; E77-L107 HydrophobicContact CB-CD1 4.47Å; E77-L107 HydrophobicContact CB-CD2 3.84Å; E77-L107 HydrophobicContact CG-CD2 3.7Å; M100-L107 WeakPolarHBondContact O-CA 3.31Å; R101-L107 HydrophobicContact CB-CD2 3.81Å; R101-L107 HydrophobicContact CG-CD2 4.43Å
108G92.4Very high91.7Very high13 Ų1365.6 Ų65.613%0.13435%0.352CS..EExtended strand (participates in β ladder)trans-175.3177.6163.700000113.6C57 M100C57-G108 VanDerWaalsContact SG-C 3.57Å; C57-G108 WeakPolarHBondContact SG-CA 3.41Å; C57-G108 PolarHBondContact SG-N 2.79Å; M100-G108 PolarHBondContact N-O 3.48Å; M100-G108 PolarHBondContact O-N 2.8Å
109W94.8Very high90.8Very high21 Ų2167.1 Ų67.18%0.0836%0.357CS..EExtended strand (participates in β ladder)trans-81.3128.7-172-68.7103.1000113.4C57 D58 P60 F75 A81 R97 L98 C99 P111 S112C57-W109 HydrophobicContact CB-CD2 4.47Å; C57-W109 HydrophobicContact CB-CZ2 3.87Å; D58-W109 PolarHBondContact O-NE1 2.87Å; P60-W109 HydrophobicContact CB-CD2 4.17Å; P60-W109 HydrophobicContact CB-CG 4.38Å; P60-W109 HydrophobicContact CB-CZ2 4.16Å; P60-W109 HydrophobicContact CG-CH2 4.29Å; P60-W109 HydrophobicContact CG-CZ2 3.65Å; F75-W109 HydrophobicContact CB-CH2 3.83Å; F75-W109 HydrophobicContact CB-CZ2 3.68Å; F75-W109 AromaticContact CD1-CH2 3.57Å; F75-W109 HydrophobicContact CD1-CH2 3.57Å; F75-W109 AromaticContact CD1-CZ2 3.97Å; F75-W109 HydrophobicContact CD1-CZ2 3.97Å; F75-W109 HydrophobicContact CD2-CH2 4.3Å; F75-W109 AromaticContact CD2-CZ2 3.84Å; F75-W109 HydrophobicContact CD2-CZ2 3.84Å; F75-W109 HydrophobicContact CE1-CH2 4.15Å; F75-W109 HydrophobicContact CE2-CZ2 4.46Å; F75-W109 AromaticContact CG-CH2 3.64Å; F75-W109 HydrophobicContact CG-CH2 3.64Å; F75-W109 AromaticContact CG-CZ2 3.56Å; F75-W109 HydrophobicContact CG-CZ2 3.56Å; A81-W109 HydrophobicContact CB-CH2 3.77Å; A81-W109 HydrophobicContact CB-CZ3 3.8Å; R97-W109 HydrophobicContact CB-CD2 4.42Å; R97-W109 HydrophobicContact CB-CE3 3.66Å; R97-W109 HydrophobicContact CB-CZ3 4.32Å; R97-W109 VanDerWaalsContact CZ-CB 3.49Å; R97-W109 WeakPolarHBondContact O-CZ3 3.04Å; L98-W109 VanDerWaalsContact C-CE3 3.41Å; L98-W109 WeakPolarHBondContact O-CA 3.49Å; C99-W109 HydrophobicContact CB-CE3 4.42Å; C99-W109 HydrophobicContact CB-CH2 4.1Å; C99-W109 HydrophobicContact CB-CZ3 4.05Å; W109-P111 CarbonylContact C-O 3.58Å; W109-P111 CarbonylContact O-C 3.41Å; W109-S112 WeakPolarHBondContact O-CA 3.49Å; W109-S112 PolarHBondContact O-N 3.39Å
110V93.7Very high89.8Confident45 Ų4571.8 Ų71.827%0.27338%0.379SS..EExtended strand (participates in β ladder)trans-123.5124.1173-175.20000109.9L98 M100 F102L98-V110 PolarHBondContact N-O 3.02Å; L98-V110 PolarHBondContact O-N 2.72Å; M100-V110 HydrophobicContact CB-CG2 4.25Å; M100-V110 HydrophobicContact CE-CB 3.76Å; M100-V110 HydrophobicContact CE-CG1 3.83Å; M100-V110 HydrophobicContact CE-CG2 3.81Å; F102-V110 HydrophobicContact CE1-CG2 3.71Å; F102-V110 HydrophobicContact CZ-CG2 3.77Å
111P93.4Very high89.4Confident60 Ų6073.2 Ų73.239%0.3939%0.388SS..SBendcis-69.6157.3-2.9-17.534.1000112.8S94 R97 W109 D113S94-P111 WeakPolarHBondContact OG-CB 3.36Å; S94-P111 WeakPolarHBondContact OG-CG 3.01Å; R97-P111 PolarHBondContact NE-O 3.34Å; R97-P111 PolarHBondContact NH2-O 2.85Å; R97-P111 VanDerWaalsContact NH2-O 3.13Å; W109-P111 CarbonylContact C-O 3.58Å; W109-P111 CarbonylContact O-C 3.41Å; P111-D113 VanDerWaalsContact C-N 3.34Å; P111-D113 WeakPolarHBondContact CB-OD1 3.14Å; P111-D113 PolarHBondContact O-N 3.3Å
112S91.6Very high89.2Confident102 Ų10268.6 Ų68.671%0.71337%0.371SS*.  trans-83-8-170.857.50000114.3R97 W109R97-S112 VanDerWaalsContact NH2-C 3.27Å; R97-S112 PolarHBondContact NH2-O 2.99Å; R97-S112 VanDerWaalsContact NH2-O 3.1Å; W109-S112 WeakPolarHBondContact O-CA 3.49Å; W109-S112 PolarHBondContact O-N 3.39Å
113D94.3Very high89.1Confident60 Ų6073.7 Ų73.732%0.32139%0.388SS..SBendtrans-68.7153.9175.872.3-52000112G93 S94 R97 P111G93-D113 VanDerWaalsContact C-OD2 3.31Å; G93-D113 WeakPolarHBondContact CA-OD2 3.48Å; S94-D113 WeakPolarHBondContact CB-OD1 3.44Å; S94-D113 PolarHBondContact N-OD2 3.37Å; S94-D113 PolarHBondContact OG-OD1 3.17Å; S94-D113 PolarHBondContact OG-OD2 3.31Å; R97-D113 PolarHBondContact NE-O 2.92Å; R97-D113 PolarHBondContact NH2-O 2.8Å; R97-D113 VanDerWaalsContact NH2-O 3.17Å; P111-D113 VanDerWaalsContact C-N 3.34Å; P111-D113 WeakPolarHBondContact CB-OD1 3.14Å; P111-D113 PolarHBondContact O-N 3.3Å
114K91.4Very high89.2Confident164 Ų16468.8 Ų68.871%0.71337%0.371SS*.PPolyproline II helixtrans-93.4129.3-179.9-64.2-171.9178.5-171.10110V116K114-V116 HydrophobicContact CB-CG2 4.38Å; K114-V116 PolarHBondContact O-N 2.81Å
115A93.8Very high89.4Confident13 Ų1363.3 Ų63.311%0.10734%0.343CS..PPolyproline II helixtrans-61.2119.5163.300000109.7F83 L91F83-A115 HydrophobicContact CB-CB 3.67Å; F83-A115 HydrophobicContact CD1-CB 3.75Å; F83-A115 HydrophobicContact CD2-CB 3.76Å; F83-A115 HydrophobicContact CE1-CB 4.33Å; F83-A115 HydrophobicContact CE2-CB 4.37Å; F83-A115 HydrophobicContact CG-CB 3.41Å; F83-A115 VanDerWaalsContact CG-CB 3.41Å; L91-A115 HydrophobicContact CD1-CB 4.06Å
116V94Very high89.7Confident71 Ų7169.6 Ų69.643%0.4336%0.363SS..EExtended strand (participates in β ladder)trans-132.2126.6176-175.90000109.1K92 K114 V118K92-V116 PolarHBondContact N-O 3.47Å; K92-V116 PolarHBondContact O-N 2.92Å; K114-V116 HydrophobicContact CB-CG2 4.38Å; K114-V116 PolarHBondContact O-N 2.81Å; V116-V118 HydrophobicContact CG1-CG1 3.9Å
117C91.3Very high89.8Confident10 Ų1068.3 Ų68.37%0.06835%0.352CS..EExtended strand (participates in β ladder)trans-85.5112173.4-68.10000109P63 Q64 C85 F89 R90P63-C117 HydrophobicContact CB-CB 4.34Å; Q64-C117 WeakPolarHBondContact O-CB 3.35Å; C85-C117 WeakPolarHBondContact CA-SG 3.24Å; C85-C117 HydrophobicContact CB-CB 3.84Å; C85-C117 WeakPolarHBondContact CB-SG 3.44Å; C85-C117 WeakPolarHBondContact SG-CA 3.2Å; C85-C117 WeakPolarHBondContact SG-CB 3.35Å; C85-C117 CovalentContact SG-SG 2.04Å; C85-C117 PolarHBondContact SG-SG 3.14Å; F89-C117 HydrophobicContact CB-CB 3.84Å; R90-C117 WeakPolarHBondContact O-CA 3.38Å
118V85.1Confident89.9Confident43 Ų4374.6 Ų74.626%0.26138%0.381SS..EExtended strand (participates in β ladder)trans-110.1139.4-179.1-64.40000110.4F89 R90 K92 V116 E120F89-V118 CarbonylContact C-O 3.56Å; F89-V118 WeakPolarHBondContact CA-O 3.45Å; R90-V118 PolarHBondContact N-O 3.04Å; R90-V118 PolarHBondContact O-N 2.89Å; K92-V118 HydrophobicContact CB-CG2 4.16Å; V116-V118 HydrophobicContact CG1-CG1 3.9Å; V118-E120 HydrophobicContact CG2-CG 4.23Å
119Q77.1Confident89.9Confident89 Ų8977 Ų7742%0.41639%0.39SS..PPolyproline II helixtrans-82.4117.6167-169.5161.560.500106.8F89 H139F89-Q119 HydrophobicContact CD1-CB 3.92Å; F89-Q119 HydrophobicContact CE1-CB 3.72Å; Q119-H139 HydrophobicContact CG-CB 3.99Å
120E74.6Confident89.9Confident98 Ų9876.8 Ų76.846%0.45839%0.393SS..PPolyproline II helixtrans-90.6134.7175.2-66.1-170.5148.300109.2R90 V118R90-E120 HydrophobicContact CB-CG 4.48Å; V118-E120 HydrophobicContact CG2-CG 4.23Å
121D85.1Confident90Very high102 Ų10278.3 Ų78.355%0.54540%0.4SS..PPolyproline II helixtrans-64.9148.3169.9-69.5-30000109.9Y137 R138D121-Y137 CarbonylContact C-O 3.58Å; D121-Y137 WeakPolarHBondContact CA-O 3.35Å; D121-R138 WeakPolarHBondContact OD1-CA 3.38Å; D121-R138 WeakPolarHBondContact OD1-CG 3.44Å
122C87.9Confident90Very high3 Ų376.9 Ų76.92%0.0239%0.388CS..PPolyproline II helixtrans-63.7147.6176-76.30000112.1L124 Y137 C165 G169 T170 W171C122-L124 PolarHBondContact O-N 2.82Å; C122-Y137 PolarHBondContact N-O 2.86Å; C122-C165 HydrophobicContact CB-CB 3.85Å; C122-C165 WeakPolarHBondContact CB-SG 3.29Å; C122-C165 WeakPolarHBondContact SG-CA 3.39Å; C122-C165 WeakPolarHBondContact SG-CB 3.44Å; C122-C165 CovalentContact SG-SG 2.02Å; C122-C165 PolarHBondContact SG-SG 2.66Å; C122-G169 WeakPolarHBondContact CA-O 3.35Å; C122-G169 VanDerWaalsContact SG-C 3.53Å; C122-T170 PolarHBondContact SG-O 3.31Å; C122-W171 HydrophobicContact CB-CD2 4.26Å; C122-W171 HydrophobicContact CB-CZ2 3.91Å
123R88.3Confident90Very high195 Ų19576.4 Ų76.474%0.73638%0.375SS*.PPolyproline II helixtrans-52.8140.1175.4-62.9-178.2-175.3-166.91.8110.5P125 G169 W171R123-P125 VanDerWaalsContact O-CD 3.28Å; R123-P125 WeakPolarHBondContact O-CD 3.38Å; R123-P125 VanDerWaalsContact O-N 3.09Å; R123-G169 PolarHBondContact N-O 3.44Å; R123-G169 VanDerWaalsContact N-O 3.15Å; R123-W171 PolarHBondContact O-NE1 3.48Å
124L90.1Very high89.5Confident124 Ų12479.4 Ų79.465%0.64939%0.391SS*.  trans-58.8114.1178.2-74.682.4000109.6C122 Q126 Y137C122-L124 PolarHBondContact O-N 2.82Å; L124-Q126 PolarHBondContact O-N 3.44Å; L124-Q126 PolarHBondContact O-NE2 2.04Å; L124-Y137 HydrophobicContact CD2-CE2 4.41Å; L124-Y137 HydrophobicContact CG-CD2 4.32Å; L124-Y137 HydrophobicContact CG-CE2 3.85Å
125P91.8Very high89.2Confident8 Ų878.7 Ų78.75%0.05239%0.388CS..  trans-68.5136.8-176.625.9-29.5000110.2R123 I127 I132 Y137 L143 W171 L174R123-P125 VanDerWaalsContact O-CD 3.28Å; R123-P125 WeakPolarHBondContact O-CD 3.38Å; R123-P125 VanDerWaalsContact O-N 3.09Å; P125-I127 HydrophobicContact CB-CD1 4.43Å; P125-I127 HydrophobicContact CB-CG1 4.47Å; P125-I132 HydrophobicContact CG-CD1 4.03Å; P125-Y137 HydrophobicContact CG-CE1 4.42Å; P125-L143 HydrophobicContact CB-CD2 4.04Å; P125-L143 HydrophobicContact CG-CD1 3.72Å; P125-L143 HydrophobicContact CG-CD2 3.74Å; P125-L143 HydrophobicContact CG-CG 4.41Å; P125-W171 HydrophobicContact CG-CZ2 4.46Å; P125-L174 HydrophobicContact CB-CD1 4.48Å; P125-L174 HydrophobicContact CB-CD2 3.69Å
126Q90.4Very high88.6Confident165 Ų16581.1 Ų81.177%0.77140%0.401SS*.  trans-105.2110.2172.6-57.8-56.3-61.700107.1L124L124-Q126 PolarHBondContact O-N 3.44Å; L124-Q126 PolarHBondContact O-NE2 2.04Å
127I93.4Very high88.3Confident24 Ų2479.2 Ų79.212%0.12339%0.387CS..  trans-129.1116.3179.2-54.5170.2000105.6P125 A130 L143 V145 P175P125-I127 HydrophobicContact CB-CD1 4.43Å; P125-I127 HydrophobicContact CB-CG1 4.47Å; I127-A130 HydrophobicContact CB-CB 4.05Å; I127-A130 HydrophobicContact CG2-CB 3.61Å; I127-L143 HydrophobicContact CD1-CD2 3.82Å; I127-V145 HydrophobicContact CD1-CG1 4.13Å; I127-V145 HydrophobicContact CD1-CG2 3.76Å; I127-P175 HydrophobicContact CD1-CG 4.05Å
128E92.6Very high88.1Confident157 Ų15785 Ų8573%0.73441%0.407SS*.THydrogen-bonded Turntrans-71.3152.8178.3-62.6-176.2162.500110.6A130E128-A130 VanDerWaalsContact C-N 3.26Å; E128-A130 PolarHBondContact O-N 3.01Å
129D93.6Very high88.1Confident62 Ų6286.1 Ų86.133%0.33241%0.409SS..THydrogen-bonded Turntrans51.441179.5-55.9-39.6000113.8H148 Y151D129-H148 PolarHBondContact O-N 3.5Å; D129-Y151 HydrophobicContact CB-CD1 4.05Å; D129-Y151 HydrophobicContact CB-CD2 4.18Å; D129-Y151 HydrophobicContact CB-CE1 3.76Å; D129-Y151 HydrophobicContact CB-CE2 3.94Å; D129-Y151 HydrophobicContact CB-CG 4.24Å; D129-Y151 VanDerWaalsContact CG-CZ 3.44Å; D129-Y151 VanDerWaalsContact CG-OH 3.24Å; D129-Y151 WeakPolarHBondContact OD2-CE1 3.4Å; D129-Y151 PolarHBondContact OD2-OH 2.83Å
130A95.6Very high88.4Confident17 Ų1784.2 Ų84.214%0.1441%0.413CS..EExtended strand (participates in β ladder)trans-145.6147.2-173.400000114.8I127 E128 V145 T146 C177I127-A130 HydrophobicContact CB-CB 4.05Å; I127-A130 HydrophobicContact CG2-CB 3.61Å; E128-A130 VanDerWaalsContact C-N 3.26Å; E128-A130 PolarHBondContact O-N 3.01Å; A130-V145 HydrophobicContact CB-CG1 3.8Å; A130-T146 WeakPolarHBondContact CA-O 3.01Å; A130-C177 VanDerWaalsContact CB-SG 3.56Å
131D94.9Very high89.1Confident77 Ų7781.9 Ų81.941%0.41240%0.402SS..EExtended strand (participates in β ladder)trans-105126.2168.3-64.8-36.3000110.6V145 T146 H148D131-V145 WeakPolarHBondContact O-CA 3.34Å; D131-T146 PolarHBondContact N-O 2.91Å; D131-T146 PolarHBondContact O-N 3.13Å; D131-H148 VanDerWaalsContact CG-NE2 3.31Å; D131-H148 IonicContact OD1-CD2 3.4Å; D131-H148 IonicContact OD1-CE1 2.66Å; D131-H148 IonicContact OD1-NE2 3.97Å; D131-H148 PolarHBondContact OD1-NE2 3.31Å; D131-H148 IonicContact OD2-CD2 3.79Å; D131-H148 IonicContact OD2-NE2 3.56Å; D131-H148 PolarHBondContact OD2-NE2 2.88Å
132I93.4Very high89.4Confident30 Ų3083.3 Ų83.315%0.15440%0.404CS..EExtended strand (participates in β ladder)trans-98.3118.2175.9-60.2157.8000109.4P125 K135 Y137 L143P125-I132 HydrophobicContact CG-CD1 4.03Å; I132-K135 HydrophobicContact CG2-CG 4.16Å; I132-K135 WeakPolarHBondContact O-CE 3.46Å; I132-Y137 HydrophobicContact CG2-CE1 4.38Å; I132-L143 HydrophobicContact CG2-CD1 3.79Å
133H91.5Very high89.6Confident92 Ų9283.6 Ų83.643%0.42641%0.405SS..EExtended strand (participates in β ladder)trans-94.6159.1178.4-55.7-69.9000111.2K135 I144 T146H133-K135 PolarHBondContact O-N 2.91Å; H133-I144 HydrophobicContact CB-CB 4.25Å; H133-I144 HydrophobicContact CB-CG2 3.98Å; H133-I144 PolarHBondContact N-O 2.89Å; H133-T146 PolarHBondContact CD2-OG1 3.34Å; H133-T146 WeakPolarHBondContact NE2-CB 3.24Å; H133-T146 PolarHBondContact NE2-OG1 3.26Å
134N84.6Confident89.8Confident124 Ų12477.4 Ų77.466%0.66339%0.386SS*.SBendtrans44.564175.8-63.8-14.9000112.3T136 I144N134-T136 PolarHBondContact O-N 3.34Å; N134-I144 HydrophobicContact CB-CD1 4.34Å
135K83.6Confident90Very high148 Ų14872.4 Ų72.464%0.64336%0.361SS*.  trans-69.155.8-171.4-61.9-178.9179.7-179.40113.7I132 H133 Y137I132-K135 HydrophobicContact CG2-CG 4.16Å; I132-K135 WeakPolarHBondContact O-CE 3.46Å; H133-K135 PolarHBondContact O-N 2.91Å; K135-Y137 HydrophobicContact CB-CE1 4.27Å; K135-Y137 HydrophobicContact CB-CE2 4.46Å
136T82.1Confident90.2Very high64 Ų6475.3 Ų75.339%0.39338%0.378SS..  trans-106.2126.2169.261.80000106.8N134 E141N134-T136 PolarHBondContact O-N 3.34Å; T136-E141 WeakPolarHBondContact CB-OE2 3.39Å; T136-E141 PolarHBondContact OG1-OE2 3.4Å
137Y88.1Confident90.4Very high31 Ų3168.5 Ų68.512%0.12235%0.348CS..  trans-118.930-170.9-51.5-45.1000110.8D121 C122 L124 P125 I132 K135 L143 C165 W171D121-Y137 CarbonylContact C-O 3.58Å; D121-Y137 WeakPolarHBondContact CA-O 3.35Å; C122-Y137 PolarHBondContact N-O 2.86Å; L124-Y137 HydrophobicContact CD2-CE2 4.41Å; L124-Y137 HydrophobicContact CG-CD2 4.32Å; L124-Y137 HydrophobicContact CG-CE2 3.85Å; P125-Y137 HydrophobicContact CG-CE1 4.42Å; I132-Y137 HydrophobicContact CG2-CE1 4.38Å; K135-Y137 HydrophobicContact CB-CE1 4.27Å; K135-Y137 HydrophobicContact CB-CE2 4.46Å; Y137-L143 HydrophobicContact CD1-CD1 4.35Å; Y137-L143 HydrophobicContact CE1-CD1 4.02Å; Y137-C165 PolarHBondContact O-SG 2.94Å; Y137-W171 HydrophobicContact CD1-CH2 4.17Å; Y137-W171 AromaticContact CD1-CZ2 3.67Å; Y137-W171 HydrophobicContact CD1-CZ2 3.67Å; Y137-W171 HydrophobicContact CE1-CZ2 4.49Å; Y137-W171 HydrophobicContact CG-CZ2 4.18Å
138R86Confident90.6Very high132 Ų13270.9 Ų70.950%0.49836%0.359SS..  trans-74.2153-178.7-73177.6-70.8-142.4-2.8110.5D121 G140 E141 C165D121-R138 WeakPolarHBondContact OD1-CA 3.38Å; D121-R138 WeakPolarHBondContact OD1-CG 3.44Å; R138-G140 PolarHBondContact O-N 2.21Å; R138-E141 HydrophobicContact CB-CG 4.14Å; R138-E141 IonicContact CZ-OE1 3.48Å; R138-E141 PolarHBondContact N-OE2 2.82Å; R138-E141 IonicContact NE-OE1 2.92Å; R138-E141 PolarHBondContact NE-OE1 2.02Å; R138-E141 IonicContact NE-OE2 3.71Å; R138-E141 IonicContact NH2-OE1 3.56Å; R138-E141 PolarHBondContact NH2-OE1 3.41Å; R138-E141 WeakPolarHBondContact O-CB 3.5Å; R138-E141 PolarHBondContact O-N 2.91Å; R138-C165 VanDerWaalsContact O-CB 3.31Å; R138-C165 WeakPolarHBondContact O-CB 2.54Å
139H84.8Confident90.7Very high67 Ų6772.5 Ų72.531%0.3137%0.367SS..THydrogen-bonded Turntrans-48.9133.1173.9173.7-104.2000112.3Q119 E141 C165 R166 N167Q119-H139 HydrophobicContact CG-CB 3.99Å; H139-E141 PolarHBondContact O-N 3.05Å; H139-C165 PolarHBondContact CD2-O 2.03Å; H139-R166 VanDerWaalsContact CD2-C 3.45Å; H139-N167 PolarHBondContact CD2-N 3.34Å; H139-N167 VanDerWaalsContact CD2-N 3.34Å; H139-N167 PolarHBondContact CD2-OD1 2.8Å; H139-N167 VanDerWaalsContact CD2-OD1 3.26Å; H139-N167 PolarHBondContact CE1-OD1 2.72Å; H139-N167 PolarHBondContact NE2-OD1 2.89Å
140G85.2Confident90.7Very high48 Ų4870.5 Ų70.550%0.49536%0.36SS..THydrogen-bonded Turntrans77.8-8.8-179.200000115.2R138 C165R138-G140 PolarHBondContact O-N 2.21Å; G140-C165 PolarHBondContact N-O 3.4Å
141E88Confident90.8Very high49 Ų4971.4 Ų71.423%0.22936%0.36CS..PPolyproline II helixtrans-75.1150.2169.7-64.9178.5168.900110.5T136 R138 H139 C165T136-E141 WeakPolarHBondContact CB-OE2 3.39Å; T136-E141 PolarHBondContact OG1-OE2 3.4Å; R138-E141 HydrophobicContact CB-CG 4.14Å; R138-E141 IonicContact CZ-OE1 3.48Å; R138-E141 PolarHBondContact N-OE2 2.82Å; R138-E141 IonicContact NE-OE1 2.92Å; R138-E141 PolarHBondContact NE-OE1 2.02Å; R138-E141 IonicContact NE-OE2 3.71Å; R138-E141 IonicContact NH2-OE1 3.56Å; R138-E141 PolarHBondContact NH2-OE1 3.41Å; R138-E141 WeakPolarHBondContact O-CB 3.5Å; R138-E141 PolarHBondContact O-N 2.91Å; H139-E141 PolarHBondContact O-N 3.05Å; E141-C165 PolarHBondContact O-N 3.23Å
142K91.5Very high90.7Very high132 Ų13272.4 Ų72.457%0.57436%0.361SS*.BIsolated β-bridgetrans-98.7140.6178.868.3-178.4-177.4177.90111.3V162 S163 L164K142-V162 HydrophobicContact CB-CG1 3.87Å; K142-S163 CarbonylContact C-O 2.98Å; K142-S163 VanDerWaalsContact CA-O 3.24Å; K142-S163 WeakPolarHBondContact CA-O 3.29Å; K142-L164 HydrophobicContact CB-CD2 4.11Å
143L92.7Very high90.7Very high10 Ų1074.2 Ų74.25%0.05237%0.37CS..PPolyproline II helixtrans-72.9136.1173.8-162.564.2000110.3P125 I127 I132 Y137 V145 S163 W171 L174P125-L143 HydrophobicContact CB-CD2 4.04Å; P125-L143 HydrophobicContact CG-CD1 3.72Å; P125-L143 HydrophobicContact CG-CD2 3.74Å; P125-L143 HydrophobicContact CG-CG 4.41Å; I127-L143 HydrophobicContact CD1-CD2 3.82Å; I132-L143 HydrophobicContact CG2-CD1 3.79Å; Y137-L143 HydrophobicContact CD1-CD1 4.35Å; Y137-L143 HydrophobicContact CE1-CD1 4.02Å; L143-V145 HydrophobicContact CB-CG2 4.43Å; L143-V145 HydrophobicContact CD2-CG2 3.53Å; L143-V145 HydrophobicContact CG-CG2 3.58Å; L143-S163 PolarHBondContact N-O 2.92Å; L143-W171 HydrophobicContact CB-CE3 4.21Å; L143-W171 HydrophobicContact CB-CH2 3.99Å; L143-W171 HydrophobicContact CB-CZ3 3.73Å; L143-W171 HydrophobicContact CD1-CH2 3.89Å; L143-W171 HydrophobicContact CD1-CZ2 3.96Å; L143-W171 HydrophobicContact CD1-CZ3 4.48Å; L143-W171 HydrophobicContact CG-CH2 4.46Å; L143-L174 HydrophobicContact CD2-CD2 3.9Å
144I92.3Very high90.8Very high65 Ų6575.7 Ų75.733%0.33337%0.372SS..EExtended strand (participates in β ladder)trans-114.7106.7175.8-55.6179.5000108H133 N134H133-I144 HydrophobicContact CB-CB 4.25Å; H133-I144 HydrophobicContact CB-CG2 3.98Å; H133-I144 PolarHBondContact N-O 2.89Å; N134-I144 HydrophobicContact CB-CD1 4.34Å
145V94.1Very high91.3Very high19 Ų1971.6 Ų71.612%0.11535%0.347CS..EExtended strand (participates in β ladder)trans-119.4141.2-174.7-170.20000109.9I127 A130 D131 L143 I153 P175I127-V145 HydrophobicContact CD1-CG1 4.13Å; I127-V145 HydrophobicContact CD1-CG2 3.76Å; A130-V145 HydrophobicContact CB-CG1 3.8Å; D131-V145 WeakPolarHBondContact O-CA 3.34Å; L143-V145 HydrophobicContact CB-CG2 4.43Å; L143-V145 HydrophobicContact CD2-CG2 3.53Å; L143-V145 HydrophobicContact CG-CG2 3.58Å; V145-I153 HydrophobicContact CB-CD1 4.32Å; V145-P175 HydrophobicContact CG2-CG 4.24Å
146T95.3Very high91.7Very high68 Ų6869 Ų6942%0.41735%0.346SS..EExtended strand (participates in β ladder)trans-125.9125.6167.7-550000108.5A130 D131 H133A130-T146 WeakPolarHBondContact CA-O 3.01Å; D131-T146 PolarHBondContact N-O 2.91Å; D131-T146 PolarHBondContact O-N 3.13Å; H133-T146 PolarHBondContact CD2-OG1 3.34Å; H133-T146 WeakPolarHBondContact NE2-CB 3.24Å; H133-T146 PolarHBondContact NE2-OG1 3.26Å
147C96.2Very high92.2Very high22 Ų2269 Ų6915%0.14934%0.344CS..EExtended strand (participates in β ladder)trans-72.3151.4174.2-58.70000111.1I153 C177C147-I153 PolarHBondContact SG-N 3.11Å; C147-I153 VanDerWaalsContact SG-N 3.4Å; C147-C177 WeakPolarHBondContact CA-SG 3.48Å; C147-C177 HydrophobicContact CB-CB 3.66Å; C147-C177 WeakPolarHBondContact CB-SG 3.31Å; C147-C177 WeakPolarHBondContact SG-CA 2.99Å; C147-C177 WeakPolarHBondContact SG-CB 3.26Å; C147-C177 CovalentContact SG-SG 2.03Å; C147-C177 PolarHBondContact SG-SG 3.47Å
148H96.2Very high92.3Very high75 Ų7574.3 Ų74.335%0.34737%0.373SS..PPolyproline II helixtrans-65.7164.7171.8-65.3164.7000111.6D129 D131 G150 Y151D129-H148 PolarHBondContact O-N 3.5Å; D131-H148 VanDerWaalsContact CG-NE2 3.31Å; D131-H148 IonicContact OD1-CD2 3.4Å; D131-H148 IonicContact OD1-CE1 2.66Å; D131-H148 IonicContact OD1-NE2 3.97Å; D131-H148 PolarHBondContact OD1-NE2 3.31Å; D131-H148 IonicContact OD2-CD2 3.79Å; D131-H148 IonicContact OD2-NE2 3.56Å; D131-H148 PolarHBondContact OD2-NE2 2.88Å; H148-G150 PolarHBondContact O-N 3.49Å; H148-Y151 PolarHBondContact O-N 3.33Å; H148-Y151 VanDerWaalsContact O-N 3.14Å
149E94.9Very high92.5Very high191 Ų19178.7 Ų78.789%0.89339%0.391SS*.THydrogen-bonded Turntrans-57.9135.2-174.2-171.6172-174.400111.9Y151E149-Y151 VanDerWaalsContact C-N 3.34Å
150G94.2Very high92.7Very high19 Ų1977.7 Ų77.720%0.19639%0.388CS..THydrogen-bonded Turntrans84.4-3.2-177.100000115.5H148 P201 V202H148-G150 PolarHBondContact O-N 3.49Å; G150-P201 WeakPolarHBondContact O-CA 3.42Å; G150-V202 WeakPolarHBondContact O-CG2 3.43Å; G150-V202 PolarHBondContact O-N 2.92Å
151Y96.3Very high93Very high36 Ų3682.5 Ų82.514%0.14140%0.399CS..  trans-107.9159.3173-65.5-107.8000111.2D129 H148 E149 C177 S199 P201D129-Y151 HydrophobicContact CB-CD1 4.05Å; D129-Y151 HydrophobicContact CB-CD2 4.18Å; D129-Y151 HydrophobicContact CB-CE1 3.76Å; D129-Y151 HydrophobicContact CB-CE2 3.94Å; D129-Y151 HydrophobicContact CB-CG 4.24Å; D129-Y151 VanDerWaalsContact CG-CZ 3.44Å; D129-Y151 VanDerWaalsContact CG-OH 3.24Å; D129-Y151 WeakPolarHBondContact OD2-CE1 3.4Å; D129-Y151 PolarHBondContact OD2-OH 2.83Å; H148-Y151 PolarHBondContact O-N 3.33Å; H148-Y151 VanDerWaalsContact O-N 3.14Å; E149-Y151 VanDerWaalsContact C-N 3.34Å; Y151-C177 HydrophobicContact CD1-CB 4.41Å; Y151-C177 WeakPolarHBondContact CD1-O 2.96Å; Y151-S199 WeakPolarHBondContact CE1-OG 3.49Å; Y151-P201 HydrophobicContact CD2-CB 3.91Å; Y151-P201 HydrophobicContact CE2-CB 3.53Å; Y151-P201 HydrophobicContact CE2-CG 3.85Å
152K94.1Very high93.2Very high99 Ų9982.5 Ų82.543%0.4340%0.403SS..EExtended strand (participates in β ladder)trans-128.4146.2170.7-56.4-175.1-172.7177.50110.8R154 Q178 H226 L228K152-R154 PolarHBondContact O-N 2.88Å; K152-Q178 PolarHBondContact N-O 2.85Å; K152-Q178 PolarHBondContact O-N 2.85Å; K152-H226 WeakPolarHBondContact CE-O 3.28Å; K152-H226 PolarHBondContact NZ-O 3.05Å; K152-L228 HydrophobicContact CB-CD1 4.03Å; K152-L228 HydrophobicContact CD-CD1 3.95Å; K152-L228 HydrophobicContact CD-CD2 4.39Å; K152-L228 HydrophobicContact CD-CG 4.16Å; K152-L228 HydrophobicContact CG-CD1 4.03Å; K152-L228 HydrophobicContact CG-CD2 4.36Å; K152-L228 HydrophobicContact CG-CG 4.48Å
153I93.8Very high93.3Very high68 Ų6876.2 Ų76.235%0.34938%0.376SS..EExtended strand (participates in β ladder)trans-66.9130.2176.5-160.9170.1000110.1V145 C147 Y155 P175V145-I153 HydrophobicContact CB-CD1 4.32Å; C147-I153 PolarHBondContact SG-N 3.11Å; C147-I153 VanDerWaalsContact SG-N 3.4Å; I153-Y155 HydrophobicContact CD1-CE2 3.77Å; I153-Y155 HydrophobicContact CG1-CD2 4.5Å; I153-Y155 HydrophobicContact CG1-CE2 3.94Å; I153-P175 HydrophobicContact CD1-CB 3.93Å; I153-P175 HydrophobicContact CD1-CG 4Å; I153-P175 HydrophobicContact CG1-CB 3.54Å; I153-P175 HydrophobicContact CG1-CG 4.13Å
154R93.4Very high93.3Very high122 Ų12279.2 Ų79.246%0.4639%0.391SS..EExtended strand (participates in β ladder)trans-129.7130.7174.9-74.9-66-166.5175.82.4108.8K152 P175 I176 Q178K152-R154 PolarHBondContact O-N 2.88Å; R154-P175 CarbonylContact O-C 3.55Å; R154-P175 WeakPolarHBondContact O-CA 3.38Å; R154-P175 WeakPolarHBondContact O-CB 3.47Å; R154-I176 HydrophobicContact CB-CG1 3.93Å; R154-I176 PolarHBondContact N-O 2.96Å; R154-I176 PolarHBondContact O-N 3.15Å; R154-Q178 HydrophobicContact CB-CB 4.34Å; R154-Q178 HydrophobicContact CG-CB 3.9Å
155Y94.1Very high93.2Very high38 Ų3876.2 Ų76.215%0.14938%0.376CS..  trans-101.1135.6176.2-75.5-85.4000109.6I153 D157 M161 N173 P175I153-Y155 HydrophobicContact CD1-CE2 3.77Å; I153-Y155 HydrophobicContact CG1-CD2 4.5Å; I153-Y155 HydrophobicContact CG1-CE2 3.94Å; Y155-D157 VanDerWaalsContact CB-O 3.31Å; Y155-D157 WeakPolarHBondContact CB-O 3.23Å; Y155-M161 HydrophobicContact CD2-CB 3.99Å; Y155-M161 HydrophobicContact CE2-CB 4.13Å; Y155-M161 VanDerWaalsContact CE2-O 3.23Å; Y155-M161 WeakPolarHBondContact CE2-O 3.42Å; Y155-M161 VanDerWaalsContact CZ-C 3.48Å; Y155-M161 PolarHBondContact OH-O 2.98Å; Y155-N173 WeakPolarHBondContact CD1-ND2 3.22Å; Y155-N173 WeakPolarHBondContact CD1-O 2.99Å; Y155-P175 HydrophobicContact CD1-CB 3.87Å; Y155-P175 HydrophobicContact CD1-CG 4.5Å; Y155-P175 HydrophobicContact CD2-CB 4.45Å; Y155-P175 HydrophobicContact CE1-CB 3.69Å; Y155-P175 HydrophobicContact CE1-CG 3.9Å; Y155-P175 HydrophobicContact CE2-CB 4.3Å; Y155-P175 HydrophobicContact CG-CB 4.26Å
156P92.9Very high92.9Very high94 Ų9481 Ų8161%0.6139%0.392SS*.SBendtrans-55.9-48.5172.9-27.933.9000113.2N173 L174P156-N173 VanDerWaalsContact CD-OD1 3.25Å; P156-N173 WeakPolarHBondContact CD-OD1 3.43Å; P156-L174 WeakPolarHBondContact CD-O 3.2Å; P156-L174 WeakPolarHBondContact CG-O 3.26Å
157D92.4Very high92.2Very high65 Ų6581 Ų8135%0.34839%0.389SS..SBendtrans-82.4119.3165.4177.411.3000110Y155 Y159 N160 N173Y155-D157 VanDerWaalsContact CB-O 3.31Å; Y155-D157 WeakPolarHBondContact CB-O 3.23Å; D157-Y159 VanDerWaalsContact C-N 3.35Å; D157-Y159 WeakPolarHBondContact OD1-CB 3.36Å; D157-Y159 WeakPolarHBondContact OD1-CD2 3.48Å; D157-Y159 PolarHBondContact OD1-N 3.02Å; D157-N160 WeakPolarHBondContact OD2-CB 3.03Å; D157-N173 PolarHBondContact N-OD1 3.25Å; D157-N173 PolarHBondContact O-ND2 3.03Å
158L89.7Confident91.4Very high142 Ų14282.7 Ų82.774%0.74340%0.397SS*.SBendtrans-78.4-16.3-179.6-65.1173000113.3
159Y89.4Confident90.7Very high224 Ų22479.4 Ų79.488%0.87838%0.384SS*.SBendtrans-88.2-29.2178.5-59.1-77.3000112.2D157D157-Y159 VanDerWaalsContact C-N 3.35Å; D157-Y159 WeakPolarHBondContact OD1-CB 3.36Å; D157-Y159 WeakPolarHBondContact OD1-CD2 3.48Å; D157-Y159 PolarHBondContact OD1-N 3.02Å
160N89.5Confident90.5Very high45 Ų4572.8 Ų72.824%0.24136%0.356CS..  trans-111.389.6178.9-178.917.4000112.4D157 V162 D172 N173D157-N160 WeakPolarHBondContact OD2-CB 3.03Å; N160-V162 PolarHBondContact ND2-O 3.42Å; N160-V162 PolarHBondContact O-N 3.28Å; N160-V162 PolarHBondContact OD1-N 3.47Å; N160-V162 PolarHBondContact OD1-O 3.29Å; N160-D172 PolarHBondContact ND2-OD2 2.68Å; N160-D172 VanDerWaalsContact ND2-OD2 3.09Å; N160-N173 PolarHBondContact O-ND2 3.35Å
161M91.8Very high90.3Very high149 Ų14973 Ų7373%0.73435%0.351SS*.  trans-78.432.3178.964.2176.417700115.2Y155Y155-M161 HydrophobicContact CD2-CB 3.99Å; Y155-M161 HydrophobicContact CE2-CB 4.13Å; Y155-M161 VanDerWaalsContact CE2-O 3.23Å; Y155-M161 WeakPolarHBondContact CE2-O 3.42Å; Y155-M161 VanDerWaalsContact CZ-C 3.48Å; Y155-M161 PolarHBondContact OH-O 2.98Å
162V92.1Very high90.1Very high50 Ų5074.2 Ų74.230%0.30336%0.36SS..SBendtrans-139.1142.2-179.3-175.60000109.5K142 N160 L164K142-V162 HydrophobicContact CB-CG1 3.87Å; N160-V162 PolarHBondContact ND2-O 3.42Å; N160-V162 PolarHBondContact O-N 3.28Å; N160-V162 PolarHBondContact OD1-N 3.47Å; N160-V162 PolarHBondContact OD1-O 3.29Å; V162-L164 HydrophobicContact CG1-CD2 4.34Å; V162-L164 HydrophobicContact CG1-CG 4.25Å
163S94.1Very high90.1Very high0 Ų070 Ų700%034%0.342CS..  trans-97.6123.1163.5-37.80000110.3K142 L143 D172 N173 P175K142-S163 CarbonylContact C-O 2.98Å; K142-S163 VanDerWaalsContact CA-O 3.24Å; K142-S163 WeakPolarHBondContact CA-O 3.29Å; L143-S163 PolarHBondContact N-O 2.92Å; S163-D172 VanDerWaalsContact CA-OD1 3.29Å; S163-D172 WeakPolarHBondContact CA-OD1 3.18Å; S163-N173 WeakPolarHBondContact CB-O 3.44Å; S163-N173 PolarHBondContact OG-O 3.14Å; S163-P175 WeakPolarHBondContact OG-CD 3.09Å
164L92.8Very high90.1Very high73 Ų7369.8 Ų69.838%0.38234%0.341SS..BIsolated β-bridgetrans-109137173.3-67.7166.8000110K142 V162 R166 D172K142-L164 HydrophobicContact CB-CD2 4.11Å; V162-L164 HydrophobicContact CG1-CD2 4.34Å; V162-L164 HydrophobicContact CG1-CG 4.25Å; L164-R166 PolarHBondContact O-N 2.97Å; L164-D172 PolarHBondContact N-OD1 2.84Å; L164-D172 PolarHBondContact O-N 2.71Å
165C90.8Very high90.2Very high2 Ų264.1 Ų64.11%0.01432%0.32CS..BIsolated β-bridgetrans-74120.8171.7174.50000110C122 Y137 R138 H139 G140 E141 W171C122-C165 HydrophobicContact CB-CB 3.85Å; C122-C165 WeakPolarHBondContact CB-SG 3.29Å; C122-C165 WeakPolarHBondContact SG-CA 3.39Å; C122-C165 WeakPolarHBondContact SG-CB 3.44Å; C122-C165 CovalentContact SG-SG 2.02Å; C122-C165 PolarHBondContact SG-SG 2.66Å; Y137-C165 PolarHBondContact O-SG 2.94Å; R138-C165 VanDerWaalsContact O-CB 3.31Å; R138-C165 WeakPolarHBondContact O-CB 2.54Å; H139-C165 PolarHBondContact CD2-O 2.03Å; G140-C165 PolarHBondContact N-O 3.4Å; E141-C165 PolarHBondContact O-N 3.23Å; C165-W171 HydrophobicContact CB-CE3 4.15Å; C165-W171 HydrophobicContact CB-CH2 3.97Å; C165-W171 HydrophobicContact CB-CZ2 4.46Å; C165-W171 HydrophobicContact CB-CZ3 3.8Å
166R87Confident90.2Very high119 Ų11966.7 Ų66.745%0.44934%0.336SS..  trans-91.3160.1-176.9-61179.869.8-125.3-2.8112.9H139 L164 D168 G169 T170 D172H139-R166 VanDerWaalsContact CD2-C 3.45Å; L164-R166 PolarHBondContact O-N 2.97Å; R166-D168 WeakPolarHBondContact CB-OD1 3.35Å; R166-D168 IonicContact CZ-OD2 3.64Å; R166-D168 IonicContact NH1-OD1 3.02Å; R166-D168 IonicContact NH1-OD2 2.69Å; R166-D168 PolarHBondContact NH1-OD2 2.63Å; R166-D168 IonicContact NH2-OD2 3.58Å; R166-D168 PolarHBondContact O-N 3.31Å; R166-G169 PolarHBondContact O-N 3.21Å; R166-T170 VanDerWaalsContact CB-O 3.29Å; R166-T170 WeakPolarHBondContact CB-O 3.4Å; R166-T170 PolarHBondContact N-O 3.37Å; R166-D172 HydrophobicContact CG-CB 4Å
167N79.8Confident90.3Very high67 Ų6762.8 Ų62.836%0.35831%0.31SS..THydrogen-bonded Turntrans-48.9-21.4176.9-80.2-18.1000116.6G88 H139G88-N167 VanDerWaalsContact CA-CB 3.45Å; G88-N167 WeakPolarHBondContact CA-OD1 3.44Å; G88-N167 VanDerWaalsContact N-CG 3.29Å; G88-N167 PolarHBondContact N-ND2 3.09Å; H139-N167 PolarHBondContact CD2-N 3.34Å; H139-N167 VanDerWaalsContact CD2-N 3.34Å; H139-N167 PolarHBondContact CD2-OD1 2.8Å; H139-N167 VanDerWaalsContact CD2-OD1 3.26Å; H139-N167 PolarHBondContact CE1-OD1 2.72Å; H139-N167 PolarHBondContact NE2-OD1 2.89Å
168D79.8Confident90.5Very high59 Ų5961.6 Ų61.632%0.31630%0.303SS..THydrogen-bonded Turntrans-98.73.4-177.856.113000113.9R90 R166 T170R90-D168 PolarHBondContact NH1-O 3.38Å; R166-D168 WeakPolarHBondContact CB-OD1 3.35Å; R166-D168 IonicContact CZ-OD2 3.64Å; R166-D168 IonicContact NH1-OD1 3.02Å; R166-D168 IonicContact NH1-OD2 2.69Å; R166-D168 PolarHBondContact NH1-OD2 2.63Å; R166-D168 IonicContact NH2-OD2 3.58Å; R166-D168 PolarHBondContact O-N 3.31Å; D168-T170 VanDerWaalsContact CG-OG1 3.31Å; D168-T170 WeakPolarHBondContact OD1-CB 3.31Å; D168-T170 PolarHBondContact OD1-N 2.59Å; D168-T170 PolarHBondContact OD1-OG1 2.66Å; D168-T170 PolarHBondContact OD2-OG1 2.85Å
169G82.8Confident90.8Very high6 Ų654.9 Ų54.96%0.06227%0.268CS..SBendtrans81.415.6-176.200000113.7C122 R123 R166C122-G169 WeakPolarHBondContact CA-O 3.35Å; C122-G169 VanDerWaalsContact SG-C 3.53Å; R123-G169 PolarHBondContact N-O 3.44Å; R123-G169 VanDerWaalsContact N-O 3.15Å; R166-G169 PolarHBondContact O-N 3.21Å
170T88.9Confident91.1Very high51 Ų5144.2 Ų44.231%0.31323%0.226SC..  trans-109155.7175.972.20000112.1C122 R166 D168C122-T170 PolarHBondContact SG-O 3.31Å; R166-T170 VanDerWaalsContact CB-O 3.29Å; R166-T170 WeakPolarHBondContact CB-O 3.4Å; R166-T170 PolarHBondContact N-O 3.37Å; D168-T170 VanDerWaalsContact CG-OG1 3.31Å; D168-T170 WeakPolarHBondContact OD1-CB 3.31Å; D168-T170 PolarHBondContact OD1-N 2.59Å; D168-T170 PolarHBondContact OD1-OG1 2.66Å; D168-T170 PolarHBondContact OD2-OG1 2.85Å
171W91.6Very high91.3Very high24 Ų2447.1 Ų47.19%0.09124%0.241CC..BIsolated β-bridgetrans-88.2137.3169.3-65.598.3000109.1C122 R123 P125 Y137 L143 C165 L174C122-W171 HydrophobicContact CB-CD2 4.26Å; C122-W171 HydrophobicContact CB-CZ2 3.91Å; R123-W171 PolarHBondContact O-NE1 3.48Å; P125-W171 HydrophobicContact CG-CZ2 4.46Å; Y137-W171 HydrophobicContact CD1-CH2 4.17Å; Y137-W171 AromaticContact CD1-CZ2 3.67Å; Y137-W171 HydrophobicContact CD1-CZ2 3.67Å; Y137-W171 HydrophobicContact CE1-CZ2 4.49Å; Y137-W171 HydrophobicContact CG-CZ2 4.18Å; L143-W171 HydrophobicContact CB-CE3 4.21Å; L143-W171 HydrophobicContact CB-CH2 3.99Å; L143-W171 HydrophobicContact CB-CZ3 3.73Å; L143-W171 HydrophobicContact CD1-CH2 3.89Å; L143-W171 HydrophobicContact CD1-CZ2 3.96Å; L143-W171 HydrophobicContact CD1-CZ3 4.48Å; L143-W171 HydrophobicContact CG-CH2 4.46Å; C165-W171 HydrophobicContact CB-CE3 4.15Å; C165-W171 HydrophobicContact CB-CH2 3.97Å; C165-W171 HydrophobicContact CB-CZ2 4.46Å; C165-W171 HydrophobicContact CB-CZ3 3.8Å; W171-L174 HydrophobicContact CB-CD1 4.14Å; W171-L174 HydrophobicContact CB-CD2 3.62Å; W171-L174 HydrophobicContact CB-CG 3.58Å; W171-L174 HydrophobicContact CD2-CD2 4.18Å; W171-L174 HydrophobicContact CG-CD1 4.43Å; W171-L174 HydrophobicContact CG-CD2 3.58Å; W171-L174 HydrophobicContact CG-CG 4.05Å
172D91.9Very high91.4Very high62 Ų6244.3 Ų44.333%0.33222%0.222SC..SBendtrans-67.2-44.6-18063-16.8000113.5N160 S163 L164 R166N160-D172 PolarHBondContact ND2-OD2 2.68Å; N160-D172 VanDerWaalsContact ND2-OD2 3.09Å; S163-D172 VanDerWaalsContact CA-OD1 3.29Å; S163-D172 WeakPolarHBondContact CA-OD1 3.18Å; L164-D172 PolarHBondContact N-OD1 2.84Å; L164-D172 PolarHBondContact O-N 2.71Å; R166-D172 HydrophobicContact CG-CB 4Å
173N93.3Very high91.3Very high10 Ų1042.6 Ų42.65%0.05321%0.212CC..SBendtrans-148.780.3-171.6-167.730.7000110.7Y155 P156 D157 N160 S163Y155-N173 WeakPolarHBondContact CD1-ND2 3.22Å; Y155-N173 WeakPolarHBondContact CD1-O 2.99Å; P156-N173 VanDerWaalsContact CD-OD1 3.25Å; P156-N173 WeakPolarHBondContact CD-OD1 3.43Å; D157-N173 PolarHBondContact N-OD1 3.25Å; D157-N173 PolarHBondContact O-ND2 3.03Å; N160-N173 PolarHBondContact O-ND2 3.35Å; S163-N173 WeakPolarHBondContact CB-O 3.44Å; S163-N173 PolarHBondContact OG-O 3.14Å
174L94.2Very high90.9Very high63 Ų6349.3 Ų49.333%0.3325%0.247SC..  trans-70128.6177.1-74.9173.3000111P125 L143 P156 W171P125-L174 HydrophobicContact CB-CD1 4.48Å; P125-L174 HydrophobicContact CB-CD2 3.69Å; L143-L174 HydrophobicContact CD2-CD2 3.9Å; P156-L174 WeakPolarHBondContact CD-O 3.2Å; P156-L174 WeakPolarHBondContact CG-O 3.26Å; W171-L174 HydrophobicContact CB-CD1 4.14Å; W171-L174 HydrophobicContact CB-CD2 3.62Å; W171-L174 HydrophobicContact CB-CG 3.58Å; W171-L174 HydrophobicContact CD2-CD2 4.18Å; W171-L174 HydrophobicContact CG-CD1 4.43Å; W171-L174 HydrophobicContact CG-CD2 3.58Å; W171-L174 HydrophobicContact CG-CG 4.05Å
175P95.3Very high90.2Very high3 Ų350 Ų502%0.01926%0.263CS..  trans-77.2158.4176.332.7-36000111.1I127 V145 I153 R154 Y155 S163I127-P175 HydrophobicContact CD1-CG 4.05Å; V145-P175 HydrophobicContact CG2-CG 4.24Å; I153-P175 HydrophobicContact CD1-CB 3.93Å; I153-P175 HydrophobicContact CD1-CG 4Å; I153-P175 HydrophobicContact CG1-CB 3.54Å; I153-P175 HydrophobicContact CG1-CG 4.13Å; R154-P175 CarbonylContact O-C 3.55Å; R154-P175 WeakPolarHBondContact O-CA 3.38Å; R154-P175 WeakPolarHBondContact O-CB 3.47Å; Y155-P175 HydrophobicContact CD1-CB 3.87Å; Y155-P175 HydrophobicContact CD1-CG 4.5Å; Y155-P175 HydrophobicContact CD2-CB 4.45Å; Y155-P175 HydrophobicContact CE1-CB 3.69Å; Y155-P175 HydrophobicContact CE1-CG 3.9Å; Y155-P175 HydrophobicContact CE2-CB 4.3Å; Y155-P175 HydrophobicContact CG-CB 4.26Å; S163-P175 WeakPolarHBondContact OG-CD 3.09Å
176I94.6Very high89.6Confident92 Ų9250.5 Ų50.547%0.47227%0.267SS..EExtended strand (participates in β ladder)trans-10914616360.8176.8000109.1R154 Q178R154-I176 HydrophobicContact CB-CG1 3.93Å; R154-I176 PolarHBondContact N-O 2.96Å; R154-I176 PolarHBondContact O-N 3.15Å; I176-Q178 HydrophobicContact CG1-CB 4.47Å
177C95.5Very high89.3Confident12 Ų1249 Ų498%0.08128%0.275CS..EExtended strand (participates in β ladder)trans-88.9113167.1-73.10000108.2A130 C147 Y151A130-C177 VanDerWaalsContact CB-SG 3.56Å; C147-C177 WeakPolarHBondContact CA-SG 3.48Å; C147-C177 HydrophobicContact CB-CB 3.66Å; C147-C177 WeakPolarHBondContact CB-SG 3.31Å; C147-C177 WeakPolarHBondContact SG-CA 2.99Å; C147-C177 WeakPolarHBondContact SG-CB 3.26Å; C147-C177 CovalentContact SG-SG 2.03Å; C147-C177 PolarHBondContact SG-SG 3.47Å; Y151-C177 HydrophobicContact CD1-CB 4.41Å; Y151-C177 WeakPolarHBondContact CD1-O 2.96Å
178Q95Very high89.7Confident41 Ų4149.4 Ų49.419%0.19228%0.277CS..EExtended strand (participates in β ladder)trans-120.8127.7-171.2-161.3-166.9-43.600110.4K152 R154 I176 L181 L228K152-Q178 PolarHBondContact N-O 2.85Å; K152-Q178 PolarHBondContact O-N 2.85Å; R154-Q178 HydrophobicContact CB-CB 4.34Å; R154-Q178 HydrophobicContact CG-CB 3.9Å; I176-Q178 HydrophobicContact CG1-CB 4.47Å; Q178-L181 HydrophobicContact CG-CD2 4.29Å; Q178-L228 VanDerWaalsContact O-CD1 3.27Å; Q178-L228 WeakPolarHBondContact O-CD1 3.41Å
179G95.9Very high90.2Very high0 Ų047.1 Ų47.10%027%0.267CS..  trans-97.7-141.8166.600000110.7S199 F200G179-S199 PolarHBondContact N-OG 2.87Å; G179-F200 CarbonylContact C-O 3.59Å; G179-F200 VanDerWaalsContact CA-O 3.26Å; G179-F200 WeakPolarHBondContact CA-O 3.11Å
180C95.8Very high90.5Very high0 Ų052.2 Ų52.20%029%0.285CS..EExtended strand (participates in β ladder)trans-70.3134.2167.2-62.10000110.2S199 F200 C224 W230C180-S199 CarbonylContact O-C 3.46Å; C180-S199 WeakPolarHBondContact O-CA 3.32Å; C180-F200 PolarHBondContact N-O 3.47Å; C180-F200 PolarHBondContact O-N 2.03Å; C180-C224 HydrophobicContact CB-CB 3.77Å; C180-C224 WeakPolarHBondContact CB-SG 3.47Å; C180-C224 PolarHBondContact N-SG 2.77Å; C180-C224 WeakPolarHBondContact SG-CA 3.37Å; C180-C224 WeakPolarHBondContact SG-CB 3.4Å; C180-C224 CovalentContact SG-SG 2.03Å; C180-C224 PolarHBondContact SG-SG 3.49Å; C180-W230 HydrophobicContact CB-CD2 4.17Å; C180-W230 HydrophobicContact CB-CH2 4.42Å; C180-W230 HydrophobicContact CB-CZ2 3.7Å
181L94.6Very high90.6Very high107 Ų10751.3 Ų51.356%0.5628%0.28SS*.EExtended strand (participates in β ladder)trans-62.6148.4174.5-68.7174.6000111.1Q178 P183 W230Q178-L181 HydrophobicContact CG-CD2 4.29Å; L181-P183 WeakPolarHBondContact O-CD 3.42Å; L181-P183 VanDerWaalsContact O-N 3.11Å; L181-W230 PolarHBondContact O-NE1 2.91Å
182R93.3Very high90.3Very high90 Ų9058.1 Ų58.134%0.3432%0.318SS..PPolyproline II helixtrans-50.4118.2173.5-171.3-170.5-172.286-1.6110.4I193 S194 Q197 T198 F200R182-I193 VanDerWaalsContact NH1-CG2 3.34Å; R182-I193 PolarHBondContact NH2-O 3.21Å; R182-S194 PolarHBondContact NH1-O 2.87Å; R182-S194 PolarHBondContact NH2-O 2.97Å; R182-Q197 PolarHBondContact NH1-O 3.4Å; R182-T198 PolarHBondContact N-O 2.87Å; R182-F200 HydrophobicContact CB-CE2 4Å; R182-F200 HydrophobicContact CG-CE2 4.13Å
183P90Very high90.2Very high13 Ų1356.3 Ų56.38%0.08431%0.308CS..PPolyproline II helixtrans-71.8153.717724.2-23.7000110.3L181 I206 Y208 L222 W230 P234L181-P183 WeakPolarHBondContact O-CD 3.42Å; L181-P183 VanDerWaalsContact O-N 3.11Å; P183-I206 HydrophobicContact CB-CD1 4.41Å; P183-I206 HydrophobicContact CG-CD1 3.25Å; P183-Y208 WeakPolarHBondContact CB-OH 3.37Å; P183-L222 HydrophobicContact CB-CD2 4.34Å; P183-W230 HydrophobicContact CG-CD2 4.42Å; P183-W230 HydrophobicContact CG-CZ2 3.93Å; P183-P234 HydrophobicContact CB-CG 3.88Å
184L85.3Confident89.9Confident142 Ų14258.7 Ų58.774%0.74333%0.326SS*.PPolyproline II helixtrans-59.1143.1-178.4-69162.9000111.1Y208 P234L184-Y208 PolarHBondContact O-OH 3.43Å; L184-P234 HydrophobicContact CB-CG 4.35Å
185A78.8Confident89.4Confident87 Ų8763.5 Ų63.572%0.71935%0.347SS*.PPolyproline II helixtrans-68.5134.3172.100000109.8S187A185-S187 PolarHBondContact O-N 2.87Å
186S77.4Confident88.9Confident13 Ų1371.9 Ų71.99%0.09138%0.383CS..PPolyproline II helixtrans-72124.6171.455.10000109.6G189S186-G189 PolarHBondContact O-N 3.45Å
187S81.1Confident88.6Confident88 Ų8871.9 Ų71.962%0.61538%0.381SS*.THydrogen-bonded Turntrans-59.8144.2165.753.20000109.8A185 G189 C237A185-S187 PolarHBondContact O-N 2.87Å; S187-G189 PolarHBondContact O-N 2.84Å; S187-C237 WeakPolarHBondContact O-CB 2.9Å
188N88.6Confident88.4Confident74 Ų7475.9 Ų75.940%0.39641%0.405SS..THydrogen-bonded Turntrans56.728-178.3-48.4-46.6000115.1F211 F214 C237N188-F211 HydrophobicContact CB-CD2 4.45Å; N188-F211 WeakPolarHBondContact O-CD2 3.4Å; N188-F211 PolarHBondContact O-N 2.98Å; N188-F214 HydrophobicContact CB-CD1 3.47Å; N188-F214 VanDerWaalsContact CB-CD1 3.47Å; N188-F214 HydrophobicContact CB-CD2 4.06Å; N188-F214 HydrophobicContact CB-CE1 3.41Å; N188-F214 VanDerWaalsContact CB-CE1 3.41Å; N188-F214 HydrophobicContact CB-CE2 3.99Å; N188-F214 HydrophobicContact CB-CG 3.83Å; N188-F214 HydrophobicContact CB-CZ 3.68Å; N188-F214 VanDerWaalsContact ND2-CE1 3.28Å; N188-F214 WeakPolarHBondContact ND2-CE1 3.27Å; N188-C237 HydrophobicContact CB-CB 4.16Å; N188-C237 WeakPolarHBondContact O-CB 3.4Å
189G89.9Confident88.3Confident12 Ų1274.6 Ų74.612%0.12440%0.401CS..EExtended strand (participates in β ladder)trans-148.6-179.2173.900000112.2S186 S187 R209 F211S186-G189 PolarHBondContact O-N 3.45Å; S187-G189 PolarHBondContact O-N 2.84Å; G189-R209 CarbonylContact C-O 3.55Å; G189-R209 WeakPolarHBondContact CA-O 3.32Å; G189-F211 WeakPolarHBondContact O-CZ 3.44Å
190Y89.4Confident88.3Confident112 Ų11275 Ų7544%0.43940%0.402SS..EExtended strand (participates in β ladder)trans-138.2154.2179.364.6-81.4000110.9R209 F211Y190-R209 HydrophobicContact CD1-CB 4.09Å; Y190-R209 HydrophobicContact CD2-CB 4.37Å; Y190-R209 HydrophobicContact CE1-CB 3.57Å; Y190-R209 HydrophobicContact CE2-CB 3.9Å; Y190-R209 HydrophobicContact CE2-CG 4.35Å; Y190-R209 HydrophobicContact CG-CB 4.47Å; Y190-R209 VanDerWaalsContact CZ-CB 3.47Å; Y190-R209 PolarHBondContact N-O 3.21Å; Y190-R209 PolarHBondContact O-N 2.69Å; Y190-R209 WeakPolarHBondContact OH-CD 3.35Å; Y190-F211 AromaticContact CD1-CD1 3.78Å; Y190-F211 HydrophobicContact CD1-CD1 3.78Å; Y190-F211 AromaticContact CD1-CE1 3.69Å; Y190-F211 HydrophobicContact CD1-CE1 3.69Å; Y190-F211 HydrophobicContact CE1-CD1 4.39Å; Y190-F211 HydrophobicContact CG-CE1 4.27Å
191V91.1Very high88.3Confident33 Ų3376.9 Ų76.920%0.241%0.414CS..EExtended strand (participates in β ladder)trans-139.8137.5176.671.20000107.2I193 I206 Y208V191-I193 VanDerWaalsContact C-N 3.32Å; V191-I193 HydrophobicContact CB-CD1 4.33Å; V191-I193 HydrophobicContact CB-CG1 4.44Å; V191-I193 HydrophobicContact CG1-CB 4.33Å; V191-I193 HydrophobicContact CG1-CD1 3.76Å; V191-I193 HydrophobicContact CG1-CG1 3.97Å; V191-I193 HydrophobicContact CG2-CD1 3.63Å; V191-I193 HydrophobicContact CG2-CG1 3.88Å; V191-I193 PolarHBondContact O-N 3.23Å; V191-I206 HydrophobicContact CG2-CB 4.32Å; V191-Y208 HydrophobicContact CB-CD1 4.07Å; V191-Y208 HydrophobicContact CB-CE1 4.09Å; V191-Y208 HydrophobicContact CB-CG 4.48Å; V191-Y208 HydrophobicContact CG1-CE1 4.41Å; V191-Y208 HydrophobicContact CG2-CD1 4.23Å; V191-Y208 HydrophobicContact CG2-CD2 4.17Å; V191-Y208 HydrophobicContact CG2-CE1 4.23Å; V191-Y208 HydrophobicContact CG2-CE2 4.15Å; V191-Y208 HydrophobicContact CG2-CG 4.21Å
192N86.2Confident88.4Confident167 Ų16774.3 Ų74.389%0.89340%0.403SS*.  trans-83.573.9-173.1-170.220.7000111.4
193I88.8Confident88.6Confident23 Ų2372.1 Ų72.112%0.11841%0.409CS..  trans-136.7126.4-174.6-54.5177000110.1R182 V191 F200 I206R182-I193 VanDerWaalsContact NH1-CG2 3.34Å; R182-I193 PolarHBondContact NH2-O 3.21Å; V191-I193 VanDerWaalsContact C-N 3.32Å; V191-I193 HydrophobicContact CB-CD1 4.33Å; V191-I193 HydrophobicContact CB-CG1 4.44Å; V191-I193 HydrophobicContact CG1-CB 4.33Å; V191-I193 HydrophobicContact CG1-CD1 3.76Å; V191-I193 HydrophobicContact CG1-CG1 3.97Å; V191-I193 HydrophobicContact CG2-CD1 3.63Å; V191-I193 HydrophobicContact CG2-CG1 3.88Å; V191-I193 PolarHBondContact O-N 3.23Å; I193-F200 HydrophobicContact CG2-CE1 3.68Å; I193-F200 HydrophobicContact CG2-CE2 4.36Å; I193-F200 HydrophobicContact CG2-CZ 3.29Å; I193-I206 HydrophobicContact CD1-CB 4.17Å; I193-I206 HydrophobicContact CD1-CD1 3.91Å; I193-I206 HydrophobicContact CD1-CG2 3.81Å; I193-I206 HydrophobicContact CG1-CG2 4.23Å
194S87.8Confident88.9Confident60 Ų6073.1 Ų73.142%0.4242%0.415SS..  trans-54.6136.1175.7178.30000111.8R182 F196 Q197R182-S194 PolarHBondContact NH1-O 2.87Å; R182-S194 PolarHBondContact NH2-O 2.97Å; S194-F196 PolarHBondContact O-N 2.82Å; S194-Q197 PolarHBondContact O-N 2.98Å
195E83.5Confident89.4Confident165 Ų16570.4 Ų70.477%0.77140%0.404SS*.THydrogen-bonded Turntrans-59.1-31.6-178.3-63.5-173.9155.700113.2
196F85.3Confident90.1Very high178 Ų17866.8 Ų66.878%0.78137%0.372SS*.THydrogen-bonded Turntrans-79.4-15.2-177.2-52.3-70.8000114.2S194 T198S194-F196 PolarHBondContact O-N 2.82Å; F196-T198 PolarHBondContact O-N 2.84Å
197Q87.6Confident90.9Very high92 Ų9267.9 Ų67.943%0.4338%0.382SS..  trans-79111.8-179.3-78.2178.4-48.200111.8R182 S194 F200R182-Q197 PolarHBondContact NH1-O 3.4Å; S194-Q197 PolarHBondContact O-N 2.98Å; Q197-F200 HydrophobicContact CB-CE1 3.96Å; Q197-F200 HydrophobicContact CB-CE2 4.46Å; Q197-F200 HydrophobicContact CB-CZ 3.59Å
198T90.6Very high91.4Very high96 Ų9663.7 Ų63.759%0.58935%0.353SS*.  trans-96-16.7178.857.40000113.4R182 F196R182-T198 PolarHBondContact N-O 2.87Å; F196-T198 PolarHBondContact O-N 2.84Å
199S93.6Very high91.6Very high14 Ų1466.6 Ų66.610%0.09836%0.358CS..EExtended strand (participates in β ladder)trans-140.8148-172.41730000111Y151 G179 C180Y151-S199 WeakPolarHBondContact CE1-OG 3.49Å; G179-S199 PolarHBondContact N-OG 2.87Å; C180-S199 CarbonylContact O-C 3.46Å; C180-S199 WeakPolarHBondContact O-CA 3.32Å
200F95.3Very high91.7Very high9 Ų967.2 Ų67.24%0.03936%0.36CS..EExtended strand (participates in β ladder)trans-134.3133.1-177.5-62.8-84.5000111.6G179 C180 R182 I193 Q197 T204 C224 W230G179-F200 CarbonylContact C-O 3.59Å; G179-F200 VanDerWaalsContact CA-O 3.26Å; G179-F200 WeakPolarHBondContact CA-O 3.11Å; C180-F200 PolarHBondContact N-O 3.47Å; C180-F200 PolarHBondContact O-N 2.03Å; R182-F200 HydrophobicContact CB-CE2 4Å; R182-F200 HydrophobicContact CG-CE2 4.13Å; I193-F200 HydrophobicContact CG2-CE1 3.68Å; I193-F200 HydrophobicContact CG2-CE2 4.36Å; I193-F200 HydrophobicContact CG2-CZ 3.29Å; Q197-F200 HydrophobicContact CB-CE1 3.96Å; Q197-F200 HydrophobicContact CB-CE2 4.46Å; Q197-F200 HydrophobicContact CB-CZ 3.59Å; F200-T204 HydrophobicContact CB-CG2 4.14Å; F200-T204 HydrophobicContact CD1-CG2 4.02Å; F200-T204 HydrophobicContact CG-CG2 4.4Å; F200-C224 PolarHBondContact O-SG 3.03Å; F200-W230 HydrophobicContact CB-CH2 3.9Å; F200-W230 HydrophobicContact CB-CZ2 4.01Å; F200-W230 HydrophobicContact CD2-CH2 4.29Å; F200-W230 AromaticContact CD2-CZ2 3.83Å; F200-W230 HydrophobicContact CD2-CZ2 3.83Å; F200-W230 HydrophobicContact CG-CH2 4.06Å; F200-W230 HydrophobicContact CG-CZ2 4.05Å
201P96.3Very high91.6Very high39 Ų3966.4 Ų66.425%0.25336%0.359SS..  trans-64.7153178.821.5-27.6000112.4G150 Y151 G203 T204G150-P201 WeakPolarHBondContact O-CA 3.42Å; Y151-P201 HydrophobicContact CD2-CB 3.91Å; Y151-P201 HydrophobicContact CE2-CB 3.53Å; Y151-P201 HydrophobicContact CE2-CG 3.85Å; P201-G203 PolarHBondContact O-N 2.87Å; P201-T204 VanDerWaalsContact CD-OG1 3.31Å; P201-T204 WeakPolarHBondContact CD-OG1 3.27Å; P201-T204 WeakPolarHBondContact CG-OG1 3.29Å; P201-T204 WeakPolarHBondContact O-CB 3.31Å; P201-T204 PolarHBondContact O-N 2.7Å; P201-T204 PolarHBondContact O-OG1 3.32Å
202V97.3Very high91.2Very high53 Ų5370 Ų7032%0.32138%0.383SS..THydrogen-bonded Turntrans-50.5137169175.90000110.6G150 T204 C224 H226 L228G150-V202 WeakPolarHBondContact O-CG2 3.43Å; G150-V202 PolarHBondContact O-N 2.92Å; V202-T204 VanDerWaalsContact C-N 3.31Å; V202-C224 WeakPolarHBondContact CA-O 3.25Å; V202-H226 HydrophobicContact CG1-CB 4.29Å; V202-L228 HydrophobicContact CG2-CD2 3.73Å
203G96.2Very high90.7Very high45 Ų4562.2 Ų62.246%0.46434%0.343SS..THydrogen-bonded Turntrans85.1-5.4-174.400000114.5P201 V205 C224P201-G203 PolarHBondContact O-N 2.87Å; G203-V205 PolarHBondContact O-N 2.74Å; G203-C224 PolarHBondContact N-O 2.97Å
204T96.4Very high90.6Very high34 Ų3463.7 Ų63.721%0.20935%0.348CS..  trans-62.8127.7169.2-59.20000110F200 P201 V202 I206 E223 C224 W230F200-T204 HydrophobicContact CB-CG2 4.14Å; F200-T204 HydrophobicContact CD1-CG2 4.02Å; F200-T204 HydrophobicContact CG-CG2 4.4Å; P201-T204 VanDerWaalsContact CD-OG1 3.31Å; P201-T204 WeakPolarHBondContact CD-OG1 3.27Å; P201-T204 WeakPolarHBondContact CG-OG1 3.29Å; P201-T204 WeakPolarHBondContact O-CB 3.31Å; P201-T204 PolarHBondContact O-N 2.7Å; P201-T204 PolarHBondContact O-OG1 3.32Å; V202-T204 VanDerWaalsContact C-N 3.31Å; T204-I206 HydrophobicContact CG2-CG2 4.1Å; T204-E223 CarbonylContact O-C 3.56Å; T204-E223 WeakPolarHBondContact O-CA 3.35Å; T204-C224 PolarHBondContact O-N 2.97Å; T204-W230 HydrophobicContact CG2-CH2 4.36Å
205V95.6Very high90.5Very high84 Ų8467.4 Ų67.451%0.50936%0.357SS..EExtended strand (participates in β ladder)trans-112127.6171.2-176.50000109.3G203 Y221 L222 E223G203-V205 PolarHBondContact O-N 2.74Å; V205-Y221 HydrophobicContact CG1-CD1 4.2Å; V205-L222 WeakPolarHBondContact CA-O 3.46Å; V205-E223 HydrophobicContact CG2-CB 4.09Å; V205-E223 HydrophobicContact CG2-CG 4.01Å
206I94.2Very high90.9Very high12 Ų1261.9 Ų61.96%0.06233%0.332CS..EExtended strand (participates in β ladder)trans-113.3145.1174.264.7175000110P183 V191 I193 T204 Y208 Y221 L222 W230P183-I206 HydrophobicContact CB-CD1 4.41Å; P183-I206 HydrophobicContact CG-CD1 3.25Å; V191-I206 HydrophobicContact CG2-CB 4.32Å; I193-I206 HydrophobicContact CD1-CB 4.17Å; I193-I206 HydrophobicContact CD1-CD1 3.91Å; I193-I206 HydrophobicContact CD1-CG2 3.81Å; I193-I206 HydrophobicContact CG1-CG2 4.23Å; T204-I206 HydrophobicContact CG2-CG2 4.1Å; I206-Y208 HydrophobicContact CD1-CD2 4.49Å; I206-Y208 HydrophobicContact CD1-CE2 3.6Å; I206-Y208 HydrophobicContact CG1-CE2 4.09Å; I206-Y221 WeakPolarHBondContact O-CA 3.27Å; I206-L222 HydrophobicContact CD1-CB 4.08Å; I206-L222 HydrophobicContact CG1-CB 3.71Å; I206-L222 PolarHBondContact N-O 2.86Å; I206-L222 PolarHBondContact O-N 2.88Å; I206-W230 HydrophobicContact CD1-CH2 4.17Å; I206-W230 HydrophobicContact CD1-CZ2 4.48Å; I206-W230 HydrophobicContact CD1-CZ3 4.2Å; I206-W230 HydrophobicContact CG1-CH2 4.4Å; I206-W230 HydrophobicContact CG1-CZ3 4.09Å; I206-W230 HydrophobicContact CG2-CH2 4.17Å; I206-W230 HydrophobicContact CG2-CZ3 4.42Å
207A93.4Very high91.3Very high35 Ų3558 Ų5829%0.28932%0.317SS..EExtended strand (participates in β ladder)trans-119.1121.7-179.400000110.5E220 Y221A207-E220 WeakPolarHBondContact CA-O 3.49Å; A207-Y221 HydrophobicContact CB-CD1 3.88Å; A207-Y221 HydrophobicContact CB-CE1 3.66Å
208Y93.6Very high91.6Very high1 Ų156.7 Ų56.70%0.00433%0.327CS..EExtended strand (participates in β ladder)trans-90.4144.6176.6-78.7-96.9000111P183 L184 V191 I206 L216 E220 L222 P234 P235P183-Y208 WeakPolarHBondContact CB-OH 3.37Å; L184-Y208 PolarHBondContact O-OH 3.43Å; V191-Y208 HydrophobicContact CB-CD1 4.07Å; V191-Y208 HydrophobicContact CB-CE1 4.09Å; V191-Y208 HydrophobicContact CB-CG 4.48Å; V191-Y208 HydrophobicContact CG1-CE1 4.41Å; V191-Y208 HydrophobicContact CG2-CD1 4.23Å; V191-Y208 HydrophobicContact CG2-CD2 4.17Å; V191-Y208 HydrophobicContact CG2-CE1 4.23Å; V191-Y208 HydrophobicContact CG2-CE2 4.15Å; V191-Y208 HydrophobicContact CG2-CG 4.21Å; I206-Y208 HydrophobicContact CD1-CD2 4.49Å; I206-Y208 HydrophobicContact CD1-CE2 3.6Å; I206-Y208 HydrophobicContact CG1-CE2 4.09Å; Y208-L216 WeakPolarHBondContact O-CD1 3.48Å; Y208-E220 PolarHBondContact N-O 3.44Å; Y208-L222 HydrophobicContact CD2-CD1 4.2Å; Y208-L222 HydrophobicContact CE2-CD1 4.14Å; Y208-L222 HydrophobicContact CE2-CD2 4.14Å; Y208-P234 HydrophobicContact CE1-CB 4.39Å; Y208-P235 VanDerWaalsContact CB-CG 3.5Å; Y208-P235 HydrophobicContact CD1-CG 4.01Å; Y208-P235 HydrophobicContact CD2-CG 4.05Å; Y208-P235 HydrophobicContact CG-CG 3.6Å
209R91.9Very high91.8Very high135 Ų13554 Ų5451%0.50931%0.313SS..EExtended strand (participates in β ladder)trans-139142.6175.9-65.1-176.5178.4-173.6-0.9110G189 Y190G189-R209 CarbonylContact C-O 3.55Å; G189-R209 WeakPolarHBondContact CA-O 3.32Å; Y190-R209 HydrophobicContact CD1-CB 4.09Å; Y190-R209 HydrophobicContact CD2-CB 4.37Å; Y190-R209 HydrophobicContact CE1-CB 3.57Å; Y190-R209 HydrophobicContact CE2-CB 3.9Å; Y190-R209 HydrophobicContact CE2-CG 4.35Å; Y190-R209 HydrophobicContact CG-CB 4.47Å; Y190-R209 VanDerWaalsContact CZ-CB 3.47Å; Y190-R209 PolarHBondContact N-O 3.21Å; Y190-R209 PolarHBondContact O-N 2.69Å; Y190-R209 WeakPolarHBondContact OH-CD 3.35Å
210C91.6Very high91.8Very high24 Ų2457.3 Ų57.316%0.16233%0.326CS..EExtended strand (participates in β ladder)trans-87.4156.5175-59.90000111.3F214 L216 C237C210-F214 HydrophobicContact CB-CB 3.82Å; C210-F214 WeakPolarHBondContact CB-O 3.35Å; C210-L216 VanDerWaalsContact SG-CA 3.54Å; C210-L216 PolarHBondContact SG-N 2.7Å; C210-C237 WeakPolarHBondContact CA-SG 2.99Å; C210-C237 HydrophobicContact CB-CB 3.71Å; C210-C237 WeakPolarHBondContact CB-SG 3Å; C210-C237 VanDerWaalsContact SG-CA 3.51Å; C210-C237 WeakPolarHBondContact SG-CB 3.42Å; C210-C237 CovalentContact SG-SG 2.04Å; C210-C237 PolarHBondContact SG-SG 3.41Å
211F88.4Confident91.8Very high96 Ų9662.4 Ų62.442%0.42135%0.346SS..PPolyproline II helixtrans-68.4159.5167.8-62.7-43.4000110.7N188 G189 Y190 G213 F214N188-F211 HydrophobicContact CB-CD2 4.45Å; N188-F211 WeakPolarHBondContact O-CD2 3.4Å; N188-F211 PolarHBondContact O-N 2.98Å; G189-F211 WeakPolarHBondContact O-CZ 3.44Å; Y190-F211 AromaticContact CD1-CD1 3.78Å; Y190-F211 HydrophobicContact CD1-CD1 3.78Å; Y190-F211 AromaticContact CD1-CE1 3.69Å; Y190-F211 HydrophobicContact CD1-CE1 3.69Å; Y190-F211 HydrophobicContact CE1-CD1 4.39Å; Y190-F211 HydrophobicContact CG-CE1 4.27Å; F211-G213 PolarHBondContact O-N 2.92Å; F211-F214 HydrophobicContact CB-CD2 4.28Å; F211-F214 PolarHBondContact O-N 3.07Å; F211-F214 VanDerWaalsContact O-N 3.08Å
212P80.9Confident91.7Very high107 Ų10760.6 Ų60.670%0.69533%0.334SS*.THydrogen-bonded Turntrans-50.5137.5175.2-27.936.3000112.1F214P212-F214 VanDerWaalsContact C-N 3.32Å
213G76.4Confident91.7Very high5 Ų562.1 Ų62.15%0.05234%0.338CS..THydrogen-bonded Turntrans74.912.4-175.600000116.7F211 L240 Y291F211-G213 PolarHBondContact O-N 2.92Å; G213-L240 WeakPolarHBondContact O-CB 3.23Å; G213-L240 PolarHBondContact O-N 3.38Å; G213-Y291 WeakPolarHBondContact CA-O 3.39Å
214F86.3Confident91.8Very high54 Ų5460 Ų6024%0.23732%0.316CS..EExtended strand (participates in β ladder)trans-120.3141.5168.3-66.5-99.2000110.9N188 C210 F211 P212 C237 L238 A239N188-F214 HydrophobicContact CB-CD1 3.47Å; N188-F214 VanDerWaalsContact CB-CD1 3.47Å; N188-F214 HydrophobicContact CB-CD2 4.06Å; N188-F214 HydrophobicContact CB-CE1 3.41Å; N188-F214 VanDerWaalsContact CB-CE1 3.41Å; N188-F214 HydrophobicContact CB-CE2 3.99Å; N188-F214 HydrophobicContact CB-CG 3.83Å; N188-F214 HydrophobicContact CB-CZ 3.68Å; N188-F214 VanDerWaalsContact ND2-CE1 3.28Å; N188-F214 WeakPolarHBondContact ND2-CE1 3.27Å; C210-F214 HydrophobicContact CB-CB 3.82Å; C210-F214 WeakPolarHBondContact CB-O 3.35Å; F211-F214 HydrophobicContact CB-CD2 4.28Å; F211-F214 PolarHBondContact O-N 3.07Å; F211-F214 VanDerWaalsContact O-N 3.08Å; P212-F214 VanDerWaalsContact C-N 3.32Å; F214-C237 HydrophobicContact CB-CB 4Å; F214-C237 HydrophobicContact CD1-CB 4.47Å; F214-L238 CarbonylContact C-O 3.57Å; F214-L238 VanDerWaalsContact CA-O 3.25Å; F214-L238 WeakPolarHBondContact CA-O 3.41Å; F214-A239 HydrophobicContact CD1-CB 4.07Å; F214-A239 HydrophobicContact CE1-CB 3.74Å; F214-A239 HydrophobicContact CZ-CB 4.43Å
215K86.9Confident91.8Very high137 Ų13760.9 Ų60.960%0.59632%0.319SS*.EExtended strand (participates in β ladder)trans-104.2136.7176.4-179.8178.6176.5-173.50110.8C237 L238 L240K215-C237 WeakPolarHBondContact O-CA 3.43Å; K215-L238 PolarHBondContact N-O 3.12Å; K215-L238 PolarHBondContact O-N 3.01Å; K215-L240 HydrophobicContact CB-CD1 4.19Å; K215-L240 HydrophobicContact CB-CD2 3.73Å; K215-L240 HydrophobicContact CB-CG 3.92Å; K215-L240 HydrophobicContact CD-CD2 4.26Å
216L91.8Very high91.7Very high49 Ų4963.4 Ų63.426%0.25733%0.325SS..EExtended strand (participates in β ladder)trans-74125.9175.3-164149.5000110.7Y208 C210 G218 E220 P235Y208-L216 WeakPolarHBondContact O-CD1 3.48Å; C210-L216 VanDerWaalsContact SG-CA 3.54Å; C210-L216 PolarHBondContact SG-N 2.7Å; L216-G218 WeakPolarHBondContact CD2-O 3.37Å; L216-E220 HydrophobicContact CD1-CB 4.31Å; L216-E220 HydrophobicContact CD1-CG 4.32Å; L216-E220 HydrophobicContact CD2-CB 4.46Å; L216-P235 HydrophobicContact CD1-CB 4.35Å; L216-P235 HydrophobicContact CD1-CG 4.13Å; L216-P235 HydrophobicContact CD2-CB 3.67Å; L216-P235 HydrophobicContact CD2-CG 4.26Å; L216-P235 HydrophobicContact CG-CB 3.85Å; L216-P235 HydrophobicContact CG-CG 4.18Å
217E93.3Very high91.8Very high98 Ų9866.4 Ų66.446%0.45834%0.341SS..EExtended strand (participates in β ladder)trans-117115.7171.7177.8-178.3-105.400108.6P235 R236 L238E217-P235 CarbonylContact O-C 3.49Å; E217-P235 VanDerWaalsContact O-CA 3.3Å; E217-P235 WeakPolarHBondContact O-CA 3.03Å; E217-P235 VanDerWaalsContact O-CB 3.31Å; E217-P235 WeakPolarHBondContact O-CB 3.43Å; E217-R236 PolarHBondContact N-O 3.08Å; E217-R236 PolarHBondContact O-N 3.42Å; E217-R236 IonicContact OE2-NH1 3.85Å; E217-L238 HydrophobicContact CB-CD1 4.1Å; E217-L238 HydrophobicContact CB-CG 4.25Å; E217-L238 HydrophobicContact CG-CD1 4.45Å; E217-L238 WeakPolarHBondContact OE1-CD1 3.11Å
218G93.1Very high91.8Very high63 Ų6365.7 Ų65.765%0.64933%0.333SS*.SBendtrans120.6-158.7-175.300000112.3L216L216-G218 WeakPolarHBondContact CD2-O 3.37Å
219S94.7Very high91.9Very high40 Ų4070.6 Ų70.628%0.2836%0.358SS..  trans-83.7129.3176.2-166.40000111.1Y221 P235S219-Y221 VanDerWaalsContact C-N 3.29Å; S219-Y221 PolarHBondContact OG-N 2.88Å; S219-Y221 PolarHBondContact OG-O 2.79Å; S219-P235 WeakPolarHBondContact O-CB 3.21Å; S219-P235 VanDerWaalsContact O-CG 3.27Å; S219-P235 WeakPolarHBondContact O-CG 3.36Å
220E94Very high92.2Very high83 Ų8365.7 Ų65.739%0.38834%0.339SS..SBendtrans-67.1-32.5171.2-173.8-173.9164.200111.6A207 Y208 L216A207-E220 WeakPolarHBondContact CA-O 3.49Å; Y208-E220 PolarHBondContact N-O 3.44Å; L216-E220 HydrophobicContact CD1-CB 4.31Å; L216-E220 HydrophobicContact CD1-CG 4.32Å; L216-E220 HydrophobicContact CD2-CB 4.46Å
221Y95.1Very high92.4Very high117 Ų11767.4 Ų67.446%0.45935%0.349SS..EExtended strand (participates in β ladder)trans-116.7130.2-176-58.8-86.6000111.1V205 I206 A207 S219V205-Y221 HydrophobicContact CG1-CD1 4.2Å; I206-Y221 WeakPolarHBondContact O-CA 3.27Å; A207-Y221 HydrophobicContact CB-CD1 3.88Å; A207-Y221 HydrophobicContact CB-CE1 3.66Å; S219-Y221 VanDerWaalsContact C-N 3.29Å; S219-Y221 PolarHBondContact OG-N 2.88Å; S219-Y221 PolarHBondContact OG-O 2.79Å
222L95.8Very high92.7Very high0 Ų065.4 Ų65.40%035%0.347CS..EExtended strand (participates in β ladder)trans-116130.5170.5-87.568.2000108.4P183 V205 I206 Y208 W230 S232 P234P183-L222 HydrophobicContact CB-CD2 4.34Å; V205-L222 WeakPolarHBondContact CA-O 3.46Å; I206-L222 HydrophobicContact CD1-CB 4.08Å; I206-L222 HydrophobicContact CG1-CB 3.71Å; I206-L222 PolarHBondContact N-O 2.86Å; I206-L222 PolarHBondContact O-N 2.88Å; Y208-L222 HydrophobicContact CD2-CD1 4.2Å; Y208-L222 HydrophobicContact CE2-CD1 4.14Å; Y208-L222 HydrophobicContact CE2-CD2 4.14Å; L222-W230 HydrophobicContact CB-CD2 4.37Å; L222-W230 HydrophobicContact CB-CE3 3.8Å; L222-W230 HydrophobicContact CB-CZ3 4.44Å; L222-W230 HydrophobicContact CD2-CB 4.09Å; L222-W230 HydrophobicContact CD2-CG 4.24Å; L222-W230 HydrophobicContact CG-CB 4.43Å; L222-S232 VanDerWaalsContact CD2-O 3.27Å; L222-S232 WeakPolarHBondContact CD2-O 3.48Å; L222-P234 HydrophobicContact CD2-CG 4.25Å
223E96.7Very high93.3Very high85 Ų8564.9 Ų64.940%0.39735%0.346SS..EExtended strand (participates in β ladder)trans-114.5136.4177.4177.4-175.8174.900110T204 V205 L225 W230 T231T204-E223 CarbonylContact O-C 3.56Å; T204-E223 WeakPolarHBondContact O-CA 3.35Å; V205-E223 HydrophobicContact CG2-CB 4.09Å; V205-E223 HydrophobicContact CG2-CG 4.01Å; E223-L225 PolarHBondContact O-N 2.95Å; E223-W230 CarbonylContact O-C 3.59Å; E223-W230 WeakPolarHBondContact O-CA 3.11Å; E223-T231 HydrophobicContact CB-CG2 3.79Å; E223-T231 PolarHBondContact N-OG1 2.04Å; E223-T231 PolarHBondContact O-N 2.82Å
224C97.3Very high94.1Very high0 Ų066.5 Ų66.50%036%0.356CS..BIsolated β-bridgetrans-79.8110.3176.71780000110.7C180 F200 V202 G203 T204 W230C180-C224 HydrophobicContact CB-CB 3.77Å; C180-C224 WeakPolarHBondContact CB-SG 3.47Å; C180-C224 PolarHBondContact N-SG 2.77Å; C180-C224 WeakPolarHBondContact SG-CA 3.37Å; C180-C224 WeakPolarHBondContact SG-CB 3.4Å; C180-C224 CovalentContact SG-SG 2.03Å; C180-C224 PolarHBondContact SG-SG 3.49Å; F200-C224 PolarHBondContact O-SG 3.03Å; V202-C224 WeakPolarHBondContact CA-O 3.25Å; G203-C224 PolarHBondContact N-O 2.97Å; T204-C224 PolarHBondContact O-N 2.97Å; C224-W230 HydrophobicContact CB-CE3 4.1Å; C224-W230 HydrophobicContact CB-CH2 4.03Å; C224-W230 HydrophobicContact CB-CZ3 3.78Å
225L96.6Very high94.5Very high54 Ų5464.2 Ų64.228%0.28335%0.346SS..  trans-83.4160.9-177.8-62.2174.8000112.6E223 N227 L228 I229 T231E223-L225 PolarHBondContact O-N 2.95Å; L225-N227 VanDerWaalsContact CB-OD1 3.29Å; L225-N227 WeakPolarHBondContact CB-OD1 3.31Å; L225-N227 PolarHBondContact O-N 3.49Å; L225-L228 WeakPolarHBondContact O-CA 3.48Å; L225-L228 PolarHBondContact O-N 3.4Å; L225-I229 VanDerWaalsContact CB-O 3.31Å; L225-I229 WeakPolarHBondContact CB-O 3.3Å; L225-I229 PolarHBondContact N-O 3.2Å; L225-T231 HydrophobicContact CD1-CG2 3.9Å; L225-T231 HydrophobicContact CD2-CG2 3.67Å; L225-T231 HydrophobicContact CG-CG2 3.75Å
226H94.9Very high94.8Very high137 Ų13765.1 Ų65.163%0.63435%0.345SS*.THydrogen-bonded Turntrans-56.8-16.7179.669.1-88.4000115.4K152 V202 L228K152-H226 WeakPolarHBondContact CE-O 3.28Å; K152-H226 PolarHBondContact NZ-O 3.05Å; V202-H226 HydrophobicContact CG1-CB 4.29Å; H226-L228 VanDerWaalsContact C-N 3.31Å
227N94.3Very high94.8Very high74 Ų7463 Ų6340%0.39634%0.335SS..THydrogen-bonded Turntrans-872.2173.964.5-4.7000113.2L225 I229L225-N227 VanDerWaalsContact CB-OD1 3.29Å; L225-N227 WeakPolarHBondContact CB-OD1 3.31Å; L225-N227 PolarHBondContact O-N 3.49Å; N227-I229 VanDerWaalsContact C-N 3.35Å; N227-I229 WeakPolarHBondContact OD1-CB 3Å; N227-I229 PolarHBondContact OD1-N 2.82Å; N227-I229 VanDerWaalsContact OD1-N 3.12Å
228L95.2Very high94.6Very high21 Ų2161.6 Ų61.611%0.1133%0.33CS..SBendtrans67.229.2-175.3-48.5-172.7000114.4K152 Q178 V202 L225 H226K152-L228 HydrophobicContact CB-CD1 4.03Å; K152-L228 HydrophobicContact CD-CD1 3.95Å; K152-L228 HydrophobicContact CD-CD2 4.39Å; K152-L228 HydrophobicContact CD-CG 4.16Å; K152-L228 HydrophobicContact CG-CD1 4.03Å; K152-L228 HydrophobicContact CG-CD2 4.36Å; K152-L228 HydrophobicContact CG-CG 4.48Å; Q178-L228 VanDerWaalsContact O-CD1 3.27Å; Q178-L228 WeakPolarHBondContact O-CD1 3.41Å; V202-L228 HydrophobicContact CG2-CD2 3.73Å; L225-L228 WeakPolarHBondContact O-CA 3.48Å; L225-L228 PolarHBondContact O-N 3.4Å; H226-L228 VanDerWaalsContact C-N 3.31Å
229I95.2Very high94.1Very high103 Ų10361.4 Ų61.453%0.52832%0.323SS..  trans-119.8143176.6-51.3-179.7000108.3L225 N227L225-I229 VanDerWaalsContact CB-O 3.31Å; L225-I229 WeakPolarHBondContact CB-O 3.3Å; L225-I229 PolarHBondContact N-O 3.2Å; N227-I229 VanDerWaalsContact C-N 3.35Å; N227-I229 WeakPolarHBondContact OD1-CB 3Å; N227-I229 PolarHBondContact OD1-N 2.82Å; N227-I229 VanDerWaalsContact OD1-N 3.12Å
230W96.8Very high93.4Very high33 Ų3362.4 Ų62.413%0.12533%0.325CS..BIsolated β-bridgetrans-70.2147.2173.1-64.6102.6000111.4C180 L181 P183 F200 T204 I206 L222 E223 C224 S232C180-W230 HydrophobicContact CB-CD2 4.17Å; C180-W230 HydrophobicContact CB-CH2 4.42Å; C180-W230 HydrophobicContact CB-CZ2 3.7Å; L181-W230 PolarHBondContact O-NE1 2.91Å; P183-W230 HydrophobicContact CG-CD2 4.42Å; P183-W230 HydrophobicContact CG-CZ2 3.93Å; F200-W230 HydrophobicContact CB-CH2 3.9Å; F200-W230 HydrophobicContact CB-CZ2 4.01Å; F200-W230 HydrophobicContact CD2-CH2 4.29Å; F200-W230 AromaticContact CD2-CZ2 3.83Å; F200-W230 HydrophobicContact CD2-CZ2 3.83Å; F200-W230 HydrophobicContact CG-CH2 4.06Å; F200-W230 HydrophobicContact CG-CZ2 4.05Å; T204-W230 HydrophobicContact CG2-CH2 4.36Å; I206-W230 HydrophobicContact CD1-CH2 4.17Å; I206-W230 HydrophobicContact CD1-CZ2 4.48Å; I206-W230 HydrophobicContact CD1-CZ3 4.2Å; I206-W230 HydrophobicContact CG1-CH2 4.4Å; I206-W230 HydrophobicContact CG1-CZ3 4.09Å; I206-W230 HydrophobicContact CG2-CH2 4.17Å; I206-W230 HydrophobicContact CG2-CZ3 4.42Å; L222-W230 HydrophobicContact CB-CD2 4.37Å; L222-W230 HydrophobicContact CB-CE3 3.8Å; L222-W230 HydrophobicContact CB-CZ3 4.44Å; L222-W230 HydrophobicContact CD2-CB 4.09Å; L222-W230 HydrophobicContact CD2-CG 4.24Å; L222-W230 HydrophobicContact CG-CB 4.43Å; E223-W230 CarbonylContact O-C 3.59Å; E223-W230 WeakPolarHBondContact O-CA 3.11Å; C224-W230 HydrophobicContact CB-CE3 4.1Å; C224-W230 HydrophobicContact CB-CH2 4.03Å; C224-W230 HydrophobicContact CB-CZ3 3.78Å; W230-S232 PolarHBondContact O-N 2.85Å; W230-S232 VanDerWaalsContact O-N 3.07Å
231T97.1Very high92.5Very high59 Ų5965.2 Ų65.236%0.36234%0.338SS..SBendtrans-56.8-21.1175.945.50000114.8E223 L225E223-T231 HydrophobicContact CB-CG2 3.79Å; E223-T231 PolarHBondContact N-OG1 2.04Å; E223-T231 PolarHBondContact O-N 2.82Å; L225-T231 HydrophobicContact CD1-CG2 3.9Å; L225-T231 HydrophobicContact CD2-CG2 3.67Å; L225-T231 HydrophobicContact CG-CG2 3.75Å
232S94.8Very high92Very high55 Ų5562 Ų6239%0.38533%0.33SS..SBendtrans-155.8165.3-179.7-730000111L222 W230L222-S232 VanDerWaalsContact CD2-O 3.27Å; L222-S232 WeakPolarHBondContact CD2-O 3.48Å; W230-S232 PolarHBondContact O-N 2.85Å; W230-S232 VanDerWaalsContact O-N 3.07Å
233S93.1Very high91.6Very high95 Ų9562.3 Ų62.366%0.66433%0.332SS*.PPolyproline II helixtrans-69.2151.7166.153.80000111
234P93Very high91.2Very high40 Ų4062.1 Ų62.126%0.2634%0.339SS..PPolyproline II helixtrans-55.1140.7173.6-27.337.4000112P183 L184 Y208 L222P183-P234 HydrophobicContact CB-CG 3.88Å; L184-P234 HydrophobicContact CB-CG 4.35Å; Y208-P234 HydrophobicContact CE1-CB 4.39Å; L222-P234 HydrophobicContact CD2-CG 4.25Å
235P94.3Very high90.8Very high5 Ų568.2 Ų68.23%0.03237%0.37CS..PPolyproline II helixtrans-75163.4179.633-37.1000112.2Y208 L216 E217 S219Y208-P235 VanDerWaalsContact CB-CG 3.5Å; Y208-P235 HydrophobicContact CD1-CG 4.01Å; Y208-P235 HydrophobicContact CD2-CG 4.05Å; Y208-P235 HydrophobicContact CG-CG 3.6Å; L216-P235 HydrophobicContact CD1-CB 4.35Å; L216-P235 HydrophobicContact CD1-CG 4.13Å; L216-P235 HydrophobicContact CD2-CB 3.67Å; L216-P235 HydrophobicContact CD2-CG 4.26Å; L216-P235 HydrophobicContact CG-CB 3.85Å; L216-P235 HydrophobicContact CG-CG 4.18Å; E217-P235 CarbonylContact O-C 3.49Å; E217-P235 VanDerWaalsContact O-CA 3.3Å; E217-P235 WeakPolarHBondContact O-CA 3.03Å; E217-P235 VanDerWaalsContact O-CB 3.31Å; E217-P235 WeakPolarHBondContact O-CB 3.43Å; S219-P235 WeakPolarHBondContact O-CB 3.21Å; S219-P235 VanDerWaalsContact O-CG 3.27Å; S219-P235 WeakPolarHBondContact O-CG 3.36Å
236R93.2Very high90.5Very high156 Ų15665.9 Ų65.959%0.58936%0.359SS*.EExtended strand (participates in β ladder)trans-104.4141.1174.4-58.9176.172.5-157.96.5109.6E217 L238E217-R236 PolarHBondContact N-O 3.08Å; E217-R236 PolarHBondContact O-N 3.42Å; E217-R236 IonicContact OE2-NH1 3.85Å; R236-L238 HydrophobicContact CB-CD2 4.26Å
237C92.8Very high90.2Very high6 Ų662.2 Ų62.24%0.04135%0.347CS..EExtended strand (participates in β ladder)trans-100.8106169.6-66.80000109S187 N188 C210 F214 K215S187-C237 WeakPolarHBondContact O-CB 2.9Å; N188-C237 HydrophobicContact CB-CB 4.16Å; N188-C237 WeakPolarHBondContact O-CB 3.4Å; C210-C237 WeakPolarHBondContact CA-SG 2.99Å; C210-C237 HydrophobicContact CB-CB 3.71Å; C210-C237 WeakPolarHBondContact CB-SG 3Å; C210-C237 VanDerWaalsContact SG-CA 3.51Å; C210-C237 WeakPolarHBondContact SG-CB 3.42Å; C210-C237 CovalentContact SG-SG 2.04Å; C210-C237 PolarHBondContact SG-SG 3.41Å; F214-C237 HydrophobicContact CB-CB 4Å; F214-C237 HydrophobicContact CD1-CB 4.47Å; K215-C237 WeakPolarHBondContact O-CA 3.43Å
238L88.3Confident89.8Confident67 Ų6767 Ų6735%0.35137%0.369SS..EExtended strand (participates in β ladder)trans-92.7136.1-178.8-58.2-174.9000110.3F214 K215 E217 R236 L240F214-L238 CarbonylContact C-O 3.57Å; F214-L238 VanDerWaalsContact CA-O 3.25Å; F214-L238 WeakPolarHBondContact CA-O 3.41Å; K215-L238 PolarHBondContact N-O 3.12Å; K215-L238 PolarHBondContact O-N 3.01Å; E217-L238 HydrophobicContact CB-CD1 4.1Å; E217-L238 HydrophobicContact CB-CG 4.25Å; E217-L238 HydrophobicContact CG-CD1 4.45Å; E217-L238 WeakPolarHBondContact OE1-CD1 3.11Å; R236-L238 HydrophobicContact CB-CD2 4.26Å; L238-L240 PolarHBondContact O-N 3.07Å
239A83.1Confident89.6Confident60 Ų6066.7 Ų66.750%0.49637%0.368SS..EExtended strand (participates in β ladder)trans-62.4130.9178.800000110.7F214 E241F214-A239 HydrophobicContact CD1-CB 4.07Å; F214-A239 HydrophobicContact CE1-CB 3.74Å; F214-A239 HydrophobicContact CZ-CB 4.43Å; A239-E241 PolarHBondContact O-N 3.33Å
240L80.6Confident89.4Confident61 Ų6165.3 Ų65.332%0.31937%0.367SS..  trans-83.295169.7-70173.8000108.6G213 K215 L238 V242 Y291 G292G213-L240 WeakPolarHBondContact O-CB 3.23Å; G213-L240 PolarHBondContact O-N 3.38Å; K215-L240 HydrophobicContact CB-CD1 4.19Å; K215-L240 HydrophobicContact CB-CD2 3.73Å; K215-L240 HydrophobicContact CB-CG 3.92Å; K215-L240 HydrophobicContact CD-CD2 4.26Å; L238-L240 PolarHBondContact O-N 3.07Å; L240-V242 PolarHBondContact O-N 3.4Å; L240-Y291 CarbonylContact O-C 3.5Å; L240-G292 WeakPolarHBondContact O-CA 3.24Å; L240-G292 PolarHBondContact O-N 2.79Å
241E73.9Confident89.2Confident141 Ų14168.2 Ų68.266%0.65938%0.382SS*.  trans-76.3-12.3173.1-65.3-175.1174.400113A239 N265 H266A239-E241 PolarHBondContact O-N 3.33Å; E241-N265 CarbonylContact O-C 3.55Å; E241-N265 VanDerWaalsContact O-CA 3.24Å; E241-N265 WeakPolarHBondContact O-CA 3.48Å; E241-H266 PolarHBondContact O-N 3.01Å
242V85.4Confident89Confident51 Ų5166 Ų6631%0.30937%0.372SS..BIsolated β-bridgetrans-126.7124.4-171.5-173.50000110.6L240 R263 Y264L240-V242 PolarHBondContact O-N 3.4Å; V242-R263 HydrophobicContact CB-CG 4.5Å; V242-R263 HydrophobicContact CG1-CG 3.64Å; V242-R263 HydrophobicContact CG2-CG 3.95Å; V242-Y264 CarbonylContact C-O 3.33Å; V242-Y264 WeakPolarHBondContact CA-O 3.17Å
243C88.1Confident88.9Confident6 Ų666.8 Ų66.84%0.04137%0.371CS..PPolyproline II helixtrans-75.6153.9174.3-70.70000112.7Y264 C289 G292 E293 W294C243-Y264 PolarHBondContact N-O 3.3Å; C243-C289 HydrophobicContact CB-CB 3.86Å; C243-C289 WeakPolarHBondContact CB-SG 3.28Å; C243-C289 PolarHBondContact N-SG 3.03Å; C243-C289 WeakPolarHBondContact SG-CA 3.5Å; C243-C289 WeakPolarHBondContact SG-CB 3.21Å; C243-C289 CovalentContact SG-SG 2.02Å; C243-C289 PolarHBondContact SG-SG 2.03Å; C243-G292 WeakPolarHBondContact CA-O 3.04Å; C243-G292 WeakPolarHBondContact SG-CA 3.46Å; C243-E293 VanDerWaalsContact SG-C 3.58Å; C243-E293 PolarHBondContact SG-N 2.83Å; C243-E293 VanDerWaalsContact SG-N 3.39Å; C243-E293 PolarHBondContact SG-O 3.25Å; C243-W294 HydrophobicContact CB-CD2 4.16Å; C243-W294 HydrophobicContact CB-CH2 4.27Å; C243-W294 HydrophobicContact CB-CZ2 3.61Å
244P87.6Confident88.8Confident81 Ų8164.2 Ų64.253%0.52635%0.348SS..PPolyproline II helixtrans-62.7171.1168.829.8-36.4000111G292 W294P244-G292 WeakPolarHBondContact CD-O 3.47Å; P244-W294 PolarHBondContact O-NE1 3.39Å
245L89.6Confident88.8Confident128 Ų12864.2 Ų64.267%0.6735%0.346SS*.PPolyproline II helixtrans-52.7138.3171.9-105.770.2000110.7Y264L245-Y264 HydrophobicContact CD1-CE2 3.94Å; L245-Y264 HydrophobicContact CG-CE2 4.13Å
246P89.8Confident88.7Confident5 Ų564 Ų643%0.03234%0.344CS..PPolyproline II helixtrans-56.6149.1176-26.535.4000112.3M248 F254 Y264 V270 W294P246-M248 PolarHBondContact O-N 3Å; P246-F254 HydrophobicContact CB-CD1 4.13Å; P246-F254 HydrophobicContact CB-CD2 4.29Å; P246-F254 HydrophobicContact CB-CE1 3.85Å; P246-F254 HydrophobicContact CB-CE2 4.04Å; P246-F254 HydrophobicContact CB-CG 4.35Å; P246-F254 HydrophobicContact CB-CZ 3.81Å; P246-F254 HydrophobicContact CG-CD2 4.14Å; P246-F254 HydrophobicContact CG-CE1 4.27Å; P246-F254 HydrophobicContact CG-CE2 3.62Å; P246-F254 HydrophobicContact CG-CZ 3.69Å; P246-Y264 VanDerWaalsContact CD-CZ 3.43Å; P246-Y264 HydrophobicContact CG-CD1 4.14Å; P246-Y264 HydrophobicContact CG-CE1 3.72Å; P246-V270 HydrophobicContact CB-CG1 4.1Å; P246-V270 HydrophobicContact CB-CG2 4.44Å; P246-V270 HydrophobicContact CG-CG1 4.19Å; P246-V270 HydrophobicContact CG-CG2 3.75Å; P246-W294 HydrophobicContact CB-CZ2 4.48Å; P246-W294 HydrophobicContact CG-CH2 4.2Å; P246-W294 HydrophobicContact CG-CZ2 3.65Å
247P88.1Confident88.7Confident60 Ų6060.2 Ų60.239%0.3933%0.333SS..PPolyproline II helixtrans-61.2131.8177.825.2-33.3000111F272 I287P247-F272 HydrophobicContact CG-CZ 4.08Å; P247-I287 HydrophobicContact CG-CD1 4.3Å
248M86.7Confident88.5Confident175 Ų17564.9 Ų64.986%0.86236%0.363SS*.PPolyproline II helixtrans-70.1133.6177.9-66.7-177.2175.900111P246P246-M248 PolarHBondContact O-N 3Å
249V89.6Confident88.5Confident14 Ų1469.6 Ų69.69%0.08538%0.376CS..  trans-104.3124.9-179.8179.90000110G252 F272 V300 C302V249-G252 CarbonylContact O-C 3.56Å; V249-G252 PolarHBondContact O-N 3.39Å; V249-F272 HydrophobicContact CB-CD1 4.45Å; V249-F272 HydrophobicContact CG2-CD1 3.37Å; V249-F272 HydrophobicContact CG2-CE1 3.52Å; V249-F272 HydrophobicContact CG2-CG 4.25Å; V249-F272 HydrophobicContact CG2-CZ 4.47Å; V249-V300 HydrophobicContact CG1-CG1 4.4Å; V249-V300 HydrophobicContact CG2-CB 3.94Å; V249-V300 HydrophobicContact CG2-CG1 3.91Å; V249-C302 HydrophobicContact CG1-CB 4.37Å
250S91.8Very high88.7Confident74 Ų7471 Ų7152%0.51738%0.38SS..THydrogen-bonded Turntrans-70.5133.717562.40000110.7G252 C302S250-G252 PolarHBondContact O-N 2.95Å; S250-C302 WeakPolarHBondContact O-CB 3.25Å
251H92.9Very high88.9Confident93 Ų9370.6 Ų70.643%0.43138%0.382SS..THydrogen-bonded Turntrans56.628.6-173.8-4495.9000114.3N275 Y278 C302H251-N275 WeakPolarHBondContact O-CB 3.39Å; H251-N275 PolarHBondContact O-N 3.08Å; H251-Y278 HydrophobicContact CB-CD1 3.48Å; H251-Y278 VanDerWaalsContact CB-CD1 3.48Å; H251-Y278 HydrophobicContact CB-CD2 4Å; H251-Y278 HydrophobicContact CB-CE1 3.5Å; H251-Y278 HydrophobicContact CB-CE2 4.03Å; H251-Y278 HydrophobicContact CB-CG 3.76Å; H251-Y278 AromaticContact CD2-CE1 3.69Å; H251-Y278 AromaticContact CD2-CE2 4Å; H251-Y278 AromaticContact CD2-CZ 3.37Å; H251-Y278 PolarHBondContact CD2-OH 2.87Å; H251-Y278 AromaticContact CG-CD1 3.84Å; H251-Y278 AromaticContact CG-CE1 3.29Å; H251-Y278 AromaticContact CG-CZ 3.47Å; H251-Y278 VanDerWaalsContact CG-CZ 3.47Å; H251-Y278 AromaticContact ND1-CE1 3.56Å; H251-Y278 AromaticContact NE2-CZ 3.92Å; H251-Y278 PolarHBondContact NE2-OH 2.9Å; H251-C302 HydrophobicContact CB-CB 4.32Å
252G92.1Very high89.3Confident14 Ų1471.9 Ų71.914%0.14439%0.388CS..EExtended strand (participates in β ladder)trans-153.2-172.8171.300000110.2V249 S250 Y273V249-G252 CarbonylContact O-C 3.56Å; V249-G252 PolarHBondContact O-N 3.39Å; S250-G252 PolarHBondContact O-N 2.95Å; G252-Y273 CarbonylContact C-O 3.6Å; G252-Y273 WeakPolarHBondContact CA-O 3.48Å
253D92.3Very high89.2Confident71 Ų7177.6 Ų77.638%0.3840%0.404SS..EExtended strand (participates in β ladder)trans-159.7-177.9179.6-178.731.4000108.1Y273D253-Y273 VanDerWaalsContact C-CE1 3.46Å; D253-Y273 HydrophobicContact CB-CD1 4.48Å; D253-Y273 HydrophobicContact CB-CE1 3.7Å; D253-Y273 HydrophobicContact CB-CE2 4.25Å; D253-Y273 WeakPolarHBondContact CB-OH 3.39Å; D253-Y273 PolarHBondContact N-O 3.23Å; D253-Y273 VanDerWaalsContact O-CD1 3.25Å; D253-Y273 WeakPolarHBondContact O-CD1 3.48Å; D253-Y273 PolarHBondContact O-N 3.2Å; D253-Y273 VanDerWaalsContact O-O 3.13Å; D253-Y273 PolarHBondContact OD2-OH 2.81Å
254F92.2Very high89.3Confident40 Ų4078.4 Ų78.418%0.17541%0.406CS..EExtended strand (participates in β ladder)trans-138.2161-176.868-98.1000114.4P246 Y264 V270 E271 F272P246-F254 HydrophobicContact CB-CD1 4.13Å; P246-F254 HydrophobicContact CB-CD2 4.29Å; P246-F254 HydrophobicContact CB-CE1 3.85Å; P246-F254 HydrophobicContact CB-CE2 4.04Å; P246-F254 HydrophobicContact CB-CG 4.35Å; P246-F254 HydrophobicContact CB-CZ 3.81Å; P246-F254 HydrophobicContact CG-CD2 4.14Å; P246-F254 HydrophobicContact CG-CE1 4.27Å; P246-F254 HydrophobicContact CG-CE2 3.62Å; P246-F254 HydrophobicContact CG-CZ 3.69Å; F254-Y264 HydrophobicContact CE2-CE1 4.45Å; F254-V270 HydrophobicContact CB-CG1 3.59Å; F254-V270 HydrophobicContact CD2-CG1 3.61Å; F254-V270 HydrophobicContact CG-CG1 3.73Å; F254-E271 CarbonylContact C-O 3.56Å; F254-E271 VanDerWaalsContact CA-O 3.29Å; F254-E271 WeakPolarHBondContact CA-O 3.28Å; F254-F272 HydrophobicContact CB-CD1 3.61Å; F254-F272 HydrophobicContact CB-CE1 3.77Å; F254-F272 HydrophobicContact CB-CG 4.4Å; F254-F272 HydrophobicContact CD1-CE1 4.18Å; F254-F272 HydrophobicContact CG-CE1 4.27Å
255I92.5Very high89.3Confident41 Ų4178.3 Ų78.321%0.2140%0.401CS..EExtended strand (participates in β ladder)trans-124.2125.3176.5-70.8161.6000107.5R259 V270 E271 Y273I255-R259 VanDerWaalsContact CD1-NH2 3.35Å; I255-V270 CarbonylContact O-C 3.44Å; I255-V270 WeakPolarHBondContact O-CA 3.47Å; I255-E271 PolarHBondContact N-O 2.92Å; I255-E271 PolarHBondContact O-N 3.17Å; I255-Y273 HydrophobicContact CD1-CD1 4.11Å; I255-Y273 HydrophobicContact CD1-CE1 4.12Å; I255-Y273 HydrophobicContact CG1-CD1 4.25Å; I255-Y273 HydrophobicContact CG1-CE1 3.98Å
256C93.3Very high89.1Confident1 Ų176.7 Ų76.71%0.00739%0.39CS..EExtended strand (participates in β ladder)trans-85.8157167.575.50000111.9P258 R259 C261 Y264 T268 V269 V270C256-P258 PolarHBondContact SG-O 3.27Å; C256-R259 VanDerWaalsContact O-CG 3.24Å; C256-R259 WeakPolarHBondContact O-CG 3.37Å; C256-C261 HydrophobicContact CB-CB 3.94Å; C256-C261 WeakPolarHBondContact CB-SG 3.48Å; C256-C261 WeakPolarHBondContact SG-CA 3.41Å; C256-C261 WeakPolarHBondContact SG-CB 3.44Å; C256-C261 PolarHBondContact SG-N 2.8Å; C256-C261 CovalentContact SG-SG 2.02Å; C256-C261 PolarHBondContact SG-SG 2.92Å; C256-Y264 HydrophobicContact CB-CE1 4.12Å; C256-T268 HydrophobicContact CB-CG2 4.17Å; C256-V269 CarbonylContact C-O 3.42Å; C256-V269 WeakPolarHBondContact CA-O 3.36Å; C256-V270 HydrophobicContact CB-CG2 4.24Å
257H92.3Very high89Confident76 Ų7678.4 Ų78.435%0.35241%0.409SS..EExtended strand (participates in β ladder)trans-135124.5171.2-57.9-78.3000108.4T268 V269 E271H257-T268 WeakPolarHBondContact O-CA 3.41Å; H257-V269 PolarHBondContact N-O 2.89Å; H257-V269 PolarHBondContact O-N 2.88Å; H257-E271 IonicContact CE1-OE2 2.8Å; H257-E271 IonicContact NE2-OE2 3.21Å; H257-E271 PolarHBondContact NE2-OE2 2.95Å
258P88.8Confident89.2Confident103 Ų10376 Ų7667%0.66939%0.394SS*.SBendcis-71.8158.4-1.232.3-36.2000113C256C256-P258 PolarHBondContact SG-O 3.27Å
259R88.6Confident89.6Confident167 Ų16769.8 Ų69.863%0.6337%0.365SS*.SBendtrans-93.5150.2170-64.6-177.5179.5-170-3.4110.1I255 C256I255-R259 VanDerWaalsContact CD1-NH2 3.35Å; C256-R259 VanDerWaalsContact O-CG 3.24Å; C256-R259 WeakPolarHBondContact O-CG 3.37Å
260P87.3Confident89.8Confident89 Ų8969.1 Ų69.158%0.57836%0.361SS*.SBendcis-79.7159.7-032.9-36.2000114.1E262P260-E262 HydrophobicContact CB-CG 4.29Å; P260-E262 HydrophobicContact CG-CG 3.98Å; P260-E262 WeakPolarHBondContact CG-OE1 3.15Å; P260-E262 PolarHBondContact O-N 2.89Å
261C83.4Confident89.9Confident52 Ų5267.4 Ų67.435%0.35135%0.345SS..  trans-80.150.5-175.9-48.70000113.5C256 Y264C256-C261 HydrophobicContact CB-CB 3.94Å; C256-C261 WeakPolarHBondContact CB-SG 3.48Å; C256-C261 WeakPolarHBondContact SG-CA 3.41Å; C256-C261 WeakPolarHBondContact SG-CB 3.44Å; C256-C261 PolarHBondContact SG-N 2.8Å; C256-C261 CovalentContact SG-SG 2.02Å; C256-C261 PolarHBondContact SG-SG 2.92Å; C261-Y264 HydrophobicContact CB-CE1 4.13Å
262E83.6Confident89.9Confident169 Ų16963.1 Ų63.179%0.7933%0.325SS*.SBendtrans-77.3-35.6-178.2-68.5177.9-167.300112.6P260P260-E262 HydrophobicContact CB-CG 4.29Å; P260-E262 HydrophobicContact CG-CG 3.98Å; P260-E262 WeakPolarHBondContact CG-OE1 3.15Å; P260-E262 PolarHBondContact O-N 2.89Å
263R83.6Confident89.9Confident171 Ų17167.2 Ų67.265%0.64534%0.337SS*.  trans-151.6127.6-178.7-163.8-177.6-77.6-1110.9110.7V242 N265V242-R263 HydrophobicContact CB-CG 4.5Å; V242-R263 HydrophobicContact CG1-CG 3.64Å; V242-R263 HydrophobicContact CG2-CG 3.95Å; R263-N265 VanDerWaalsContact C-N 3.33Å; R263-N265 WeakPolarHBondContact CD-OD1 3.46Å; R263-N265 WeakPolarHBondContact CG-OD1 3.41Å; R263-N265 PolarHBondContact O-N 3.2Å; R263-N265 VanDerWaalsContact O-N 3.11Å
264Y89.8Confident89.9Confident22 Ų2265.2 Ų65.29%0.08633%0.328CS..  trans-87.768.9-177.3-55.3-77.9000111V242 C243 L245 P246 F254 C256 C261 T268 V270 C289 W294V242-Y264 CarbonylContact C-O 3.33Å; V242-Y264 WeakPolarHBondContact CA-O 3.17Å; C243-Y264 PolarHBondContact N-O 3.3Å; L245-Y264 HydrophobicContact CD1-CE2 3.94Å; L245-Y264 HydrophobicContact CG-CE2 4.13Å; P246-Y264 VanDerWaalsContact CD-CZ 3.43Å; P246-Y264 HydrophobicContact CG-CD1 4.14Å; P246-Y264 HydrophobicContact CG-CE1 3.72Å; F254-Y264 HydrophobicContact CE2-CE1 4.45Å; C256-Y264 HydrophobicContact CB-CE1 4.12Å; C261-Y264 HydrophobicContact CB-CE1 4.13Å; Y264-T268 HydrophobicContact CD1-CG2 4.03Å; Y264-V270 HydrophobicContact CD1-CG2 4.43Å; Y264-V270 HydrophobicContact CE1-CG2 4.48Å; Y264-C289 PolarHBondContact O-SG 3.37Å; Y264-W294 AromaticContact CD1-CH2 3.75Å; Y264-W294 HydrophobicContact CD1-CH2 3.75Å; Y264-W294 AromaticContact CD1-CZ2 3.78Å; Y264-W294 HydrophobicContact CD1-CZ2 3.78Å; Y264-W294 HydrophobicContact CG-CH2 4.04Å; Y264-W294 AromaticContact CG-CZ2 3.72Å; Y264-W294 HydrophobicContact CG-CZ2 3.72Å
265N87.1Confident90.1Very high79 Ų7966.7 Ų66.742%0.42234%0.338SS..BIsolated β-bridgetrans-65.9162.9179.9-65.8-6.4000112E241 R263 G267 T268 C289E241-N265 CarbonylContact O-C 3.55Å; E241-N265 VanDerWaalsContact O-CA 3.24Å; E241-N265 WeakPolarHBondContact O-CA 3.48Å; R263-N265 VanDerWaalsContact C-N 3.33Å; R263-N265 WeakPolarHBondContact CD-OD1 3.46Å; R263-N265 WeakPolarHBondContact CG-OD1 3.41Å; R263-N265 PolarHBondContact O-N 3.2Å; R263-N265 VanDerWaalsContact O-N 3.11Å; N265-G267 PolarHBondContact O-N 3.04Å; N265-T268 PolarHBondContact N-OG1 3.17Å; N265-T268 VanDerWaalsContact N-OG1 3.09Å; N265-T268 WeakPolarHBondContact O-CB 3.36Å; N265-T268 PolarHBondContact O-N 3.47Å; N265-T268 PolarHBondContact O-OG1 3.33Å; N265-C289 WeakPolarHBondContact O-CB 3.44Å
266H86.4Confident90.1Very high94 Ų9471 Ų7144%0.43537%0.368SS..THydrogen-bonded Turntrans-46.5129.6171.2-171.9-67.7000111.5E241 T268 Y291E241-H266 PolarHBondContact O-N 3.01Å; H266-T268 VanDerWaalsContact C-N 3.34Å; H266-Y291 AromaticContact CD2-CD1 3.91Å; H266-Y291 PolarHBondContact CD2-N 2.99Å; H266-Y291 AromaticContact NE2-CD1 3.88Å; H266-Y291 AromaticContact NE2-CE1 3.68Å; H266-Y291 AromaticContact NE2-CE2 3.97Å; H266-Y291 AromaticContact NE2-CZ 3.72Å
267G87.6Confident89.8Confident42 Ų4273 Ų7343%0.43339%0.389SS..THydrogen-bonded Turntrans85.7-5.2-175.900000115.1N265 V269 C289N265-G267 PolarHBondContact O-N 3.04Å; G267-V269 PolarHBondContact O-N 2.76Å; G267-C289 PolarHBondContact N-O 2.84Å
268T91.8Very high89.8Confident10 Ų1073 Ų736%0.06139%0.386CS..  trans-61.5126.3172.1-58.60000109.6C256 H257 Y264 N265 H266 T288 C289 W294C256-T268 HydrophobicContact CB-CG2 4.17Å; H257-T268 WeakPolarHBondContact O-CA 3.41Å; Y264-T268 HydrophobicContact CD1-CG2 4.03Å; N265-T268 PolarHBondContact N-OG1 3.17Å; N265-T268 VanDerWaalsContact N-OG1 3.09Å; N265-T268 WeakPolarHBondContact O-CB 3.36Å; N265-T268 PolarHBondContact O-N 3.47Å; N265-T268 PolarHBondContact O-OG1 3.33Å; H266-T268 VanDerWaalsContact C-N 3.34Å; T268-T288 CarbonylContact O-C 3.53Å; T268-T288 WeakPolarHBondContact O-CA 2.94Å; T268-C289 PolarHBondContact O-N 3.2Å; T268-W294 HydrophobicContact CG2-CH2 4.39Å
269V94.1Very high89.9Confident43 Ų4370.3 Ų70.326%0.26137%0.37SS..EExtended strand (participates in β ladder)trans-101.8134.6176.8-1780000109C256 H257 G267 Y286 T288C256-V269 CarbonylContact C-O 3.42Å; C256-V269 WeakPolarHBondContact CA-O 3.36Å; H257-V269 PolarHBondContact N-O 2.89Å; H257-V269 PolarHBondContact O-N 2.88Å; G267-V269 PolarHBondContact O-N 2.76Å; V269-Y286 HydrophobicContact CG1-CD1 3.91Å; V269-T288 HydrophobicContact CG2-CG2 4.2Å
270V94.1Very high89.9Confident0 Ų064.5 Ų64.50%035%0.351CS..EExtended strand (participates in β ladder)trans-114.7125.4174.7172.90000109P246 F254 I255 C256 Y264 F272 Y286 I287 W294P246-V270 HydrophobicContact CB-CG1 4.1Å; P246-V270 HydrophobicContact CB-CG2 4.44Å; P246-V270 HydrophobicContact CG-CG1 4.19Å; P246-V270 HydrophobicContact CG-CG2 3.75Å; F254-V270 HydrophobicContact CB-CG1 3.59Å; F254-V270 HydrophobicContact CD2-CG1 3.61Å; F254-V270 HydrophobicContact CG-CG1 3.73Å; I255-V270 CarbonylContact O-C 3.44Å; I255-V270 WeakPolarHBondContact O-CA 3.47Å; C256-V270 HydrophobicContact CB-CG2 4.24Å; Y264-V270 HydrophobicContact CD1-CG2 4.43Å; Y264-V270 HydrophobicContact CE1-CG2 4.48Å; V270-F272 HydrophobicContact CG1-CE1 4.31Å; V270-F272 HydrophobicContact CG1-CE2 4.26Å; V270-F272 HydrophobicContact CG1-CZ 4.04Å; V270-Y286 VanDerWaalsContact O-CA 3.31Å; V270-Y286 WeakPolarHBondContact O-CA 3.09Å; V270-I287 HydrophobicContact CB-CD1 4.3Å; V270-I287 HydrophobicContact CB-CG1 3.77Å; V270-I287 HydrophobicContact CG1-CD1 4.44Å; V270-I287 HydrophobicContact CG1-CG1 4.27Å; V270-I287 PolarHBondContact N-O 3.47Å; V270-I287 PolarHBondContact O-N 3.31Å; V270-W294 HydrophobicContact CB-CH2 4.44Å; V270-W294 HydrophobicContact CB-CZ3 4.2Å; V270-W294 HydrophobicContact CG2-CH2 3.41Å; V270-W294 VanDerWaalsContact CG2-CH2 3.41Å; V270-W294 HydrophobicContact CG2-CZ2 4.21Å; V270-W294 HydrophobicContact CG2-CZ3 3.61Å
271E93.7Very high89.8Confident39 Ų3963.1 Ų63.118%0.18234%0.341CS..EExtended strand (participates in β ladder)trans-108117.2-179.6179.1168.6-151.400109.8F254 I255 H257 K285 Y286F254-E271 CarbonylContact C-O 3.56Å; F254-E271 VanDerWaalsContact CA-O 3.29Å; F254-E271 WeakPolarHBondContact CA-O 3.28Å; I255-E271 PolarHBondContact N-O 2.92Å; I255-E271 PolarHBondContact O-N 3.17Å; H257-E271 IonicContact CE1-OE2 2.8Å; H257-E271 IonicContact NE2-OE2 3.21Å; H257-E271 PolarHBondContact NE2-OE2 2.95Å; E271-K285 WeakPolarHBondContact CA-O 3.04Å; E271-K285 HydrophobicContact CG-CD 4.28Å; E271-K285 IonicContact OE1-NZ 3.3Å; E271-K285 PolarHBondContact OE1-NZ 3.32Å; E271-Y286 HydrophobicContact CB-CD1 3.81Å; E271-Y286 HydrophobicContact CB-CE1 3.62Å; E271-Y286 VanDerWaalsContact CD-CE1 3.44Å; E271-Y286 HydrophobicContact CG-CD1 4.05Å; E271-Y286 HydrophobicContact CG-CE1 3.48Å; E271-Y286 VanDerWaalsContact CG-CE1 3.48Å; E271-Y286 PolarHBondContact OE1-OH 2.77Å
272F93Very high89.7Confident3 Ų362.7 Ų62.71%0.01334%0.339CS..EExtended strand (participates in β ladder)trans-85.7144177.6-65.8-76.8000111.9P247 V249 F254 V270 L280 K285 I287 V300P247-F272 HydrophobicContact CG-CZ 4.08Å; V249-F272 HydrophobicContact CB-CD1 4.45Å; V249-F272 HydrophobicContact CG2-CD1 3.37Å; V249-F272 HydrophobicContact CG2-CE1 3.52Å; V249-F272 HydrophobicContact CG2-CG 4.25Å; V249-F272 HydrophobicContact CG2-CZ 4.47Å; F254-F272 HydrophobicContact CB-CD1 3.61Å; F254-F272 HydrophobicContact CB-CE1 3.77Å; F254-F272 HydrophobicContact CB-CG 4.4Å; F254-F272 HydrophobicContact CD1-CE1 4.18Å; F254-F272 HydrophobicContact CG-CE1 4.27Å; V270-F272 HydrophobicContact CG1-CE1 4.31Å; V270-F272 HydrophobicContact CG1-CE2 4.26Å; V270-F272 HydrophobicContact CG1-CZ 4.04Å; F272-L280 HydrophobicContact CB-CD2 4.31Å; F272-K285 PolarHBondContact N-O 2.83Å; F272-I287 HydrophobicContact CE2-CB 4.47Å; F272-I287 HydrophobicContact CE2-CD1 3.59Å; F272-I287 HydrophobicContact CE2-CG1 3.71Å; F272-I287 HydrophobicContact CE2-CG2 4.09Å; F272-I287 HydrophobicContact CZ-CD1 3.59Å; F272-I287 HydrophobicContact CZ-CG1 4.19Å; F272-V300 HydrophobicContact CB-CG1 3.95Å; F272-V300 HydrophobicContact CD1-CG1 4.33Å; F272-V300 HydrophobicContact CD2-CB 4.23Å; F272-V300 HydrophobicContact CD2-CG1 4.05Å; F272-V300 HydrophobicContact CD2-CG2 3.75Å; F272-V300 HydrophobicContact CE2-CB 4.37Å; F272-V300 HydrophobicContact CE2-CG2 3.76Å; F272-V300 HydrophobicContact CG-CB 4.35Å; F272-V300 HydrophobicContact CG-CG1 3.85Å; F272-V300 HydrophobicContact CG-CG2 4.36Å; F272-V300 HydrophobicContact CZ-CG2 4.39Å
273Y92.3Very high89.6Confident100 Ų10062.6 Ų62.639%0.39234%0.343SS..EExtended strand (participates in β ladder)trans-138.2151173.569.2-80000110.6G252 D253 I255G252-Y273 CarbonylContact C-O 3.6Å; G252-Y273 WeakPolarHBondContact CA-O 3.48Å; D253-Y273 VanDerWaalsContact C-CE1 3.46Å; D253-Y273 HydrophobicContact CB-CD1 4.48Å; D253-Y273 HydrophobicContact CB-CE1 3.7Å; D253-Y273 HydrophobicContact CB-CE2 4.25Å; D253-Y273 WeakPolarHBondContact CB-OH 3.39Å; D253-Y273 PolarHBondContact N-O 3.23Å; D253-Y273 VanDerWaalsContact O-CD1 3.25Å; D253-Y273 WeakPolarHBondContact O-CD1 3.48Å; D253-Y273 PolarHBondContact O-N 3.2Å; D253-Y273 VanDerWaalsContact O-O 3.13Å; D253-Y273 PolarHBondContact OD2-OH 2.81Å; I255-Y273 HydrophobicContact CD1-CD1 4.11Å; I255-Y273 HydrophobicContact CD1-CE1 4.12Å; I255-Y273 HydrophobicContact CG1-CD1 4.25Å; I255-Y273 HydrophobicContact CG1-CE1 3.98Å
274C93.4Very high89.6Confident28 Ų2862.5 Ų62.519%0.18934%0.344CS..EExtended strand (participates in β ladder)trans-101.2153.2179.6-62.60000111.9S279 L280 C302C274-S279 VanDerWaalsContact SG-C 3.51Å; C274-L280 VanDerWaalsContact SG-CD2 3.54Å; C274-L280 VanDerWaalsContact SG-CG 3.57Å; C274-L280 PolarHBondContact SG-N 3.37Å; C274-L280 VanDerWaalsContact SG-N 3.37Å; C274-C302 WeakPolarHBondContact CA-SG 3.37Å; C274-C302 HydrophobicContact CB-CB 3.78Å; C274-C302 WeakPolarHBondContact CB-SG 3.41Å; C274-C302 WeakPolarHBondContact SG-CB 3.41Å; C274-C302 CovalentContact SG-SG 2.03Å; C274-C302 PolarHBondContact SG-SG 2.9Å
275N94.5Very high89.6Confident72 Ų7264.9 Ų64.939%0.38536%0.355SS..PPolyproline II helixtrans-66.1156.1171.7-69.7-23.7000111H251 G277 Y278H251-N275 WeakPolarHBondContact O-CB 3.39Å; H251-N275 PolarHBondContact O-N 3.08Å; N275-G277 PolarHBondContact O-N 2.82Å; N275-Y278 HydrophobicContact CB-CD2 4.49Å; N275-Y278 WeakPolarHBondContact O-CB 3.35Å; N275-Y278 PolarHBondContact O-N 3.24Å
276P92.4Very high89.9Confident131 Ų13166 Ų6685%0.85135%0.354SS*.THydrogen-bonded Turntrans-52.6132.6177.7-27.635.6000113.1
277G88.3Confident90.2Very high42 Ų4261.8 Ų61.843%0.43334%0.335SS..THydrogen-bonded Turntrans848.4-175.200000114.9N275 K304 S305N275-G277 PolarHBondContact O-N 2.82Å; G277-K304 WeakPolarHBondContact O-CA 3.49Å; G277-S305 PolarHBondContact O-N 2.75Å; G277-S305 PolarHBondContact O-OG 2.9Å
278Y91.9Very high90.4Very high76 Ų7661.7 Ų61.730%0.29833%0.326SS..EExtended strand (participates in β ladder)trans-126.1152.8172.5-65-106.6000111.1H251 N275 C302 I303 K304H251-Y278 HydrophobicContact CB-CD1 3.48Å; H251-Y278 VanDerWaalsContact CB-CD1 3.48Å; H251-Y278 HydrophobicContact CB-CD2 4Å; H251-Y278 HydrophobicContact CB-CE1 3.5Å; H251-Y278 HydrophobicContact CB-CE2 4.03Å; H251-Y278 HydrophobicContact CB-CG 3.76Å; H251-Y278 AromaticContact CD2-CE1 3.69Å; H251-Y278 AromaticContact CD2-CE2 4Å; H251-Y278 AromaticContact CD2-CZ 3.37Å; H251-Y278 PolarHBondContact CD2-OH 2.87Å; H251-Y278 AromaticContact CG-CD1 3.84Å; H251-Y278 AromaticContact CG-CE1 3.29Å; H251-Y278 AromaticContact CG-CZ 3.47Å; H251-Y278 VanDerWaalsContact CG-CZ 3.47Å; H251-Y278 AromaticContact ND1-CE1 3.56Å; H251-Y278 AromaticContact NE2-CZ 3.92Å; H251-Y278 PolarHBondContact NE2-OH 2.9Å; N275-Y278 HydrophobicContact CB-CD2 4.49Å; N275-Y278 WeakPolarHBondContact O-CB 3.35Å; N275-Y278 PolarHBondContact O-N 3.24Å; Y278-C302 HydrophobicContact CD1-CB 4.41Å; Y278-I303 CarbonylContact C-O 3.52Å; Y278-I303 WeakPolarHBondContact CA-O 3.46Å; Y278-I303 WeakPolarHBondContact CB-O 3.33Å; Y278-I303 VanDerWaalsContact CD1-C 3.47Å; Y278-K304 HydrophobicContact CD1-CB 4.26Å; Y278-K304 HydrophobicContact CE1-CB 4.09Å
279S89.9Confident90.4Very high47 Ų4761.2 Ų61.233%0.32932%0.323SS..EExtended strand (participates in β ladder)trans-129.1147.5176.950.50000110.4C274 C302 I303C274-S279 VanDerWaalsContact SG-C 3.51Å; S279-C302 WeakPolarHBondContact O-CA 3.27Å; S279-I303 PolarHBondContact N-O 3.17Å; S279-I303 WeakPolarHBondContact O-CG1 3.35Å; S279-I303 PolarHBondContact O-N 3.49Å
280L89.7Confident90.1Very high46 Ų4663 Ų6324%0.24133%0.328CS..EExtended strand (participates in β ladder)trans-63.8143.1171-70.7170000109.6F272 C274 K285 V300F272-L280 HydrophobicContact CB-CD2 4.31Å; C274-L280 VanDerWaalsContact SG-CD2 3.54Å; C274-L280 VanDerWaalsContact SG-CG 3.57Å; C274-L280 PolarHBondContact SG-N 3.37Å; C274-L280 VanDerWaalsContact SG-N 3.37Å; L280-K285 HydrophobicContact CD1-CB 3.4Å; L280-V300 HydrophobicContact CD2-CG1 3.58Å
281T86.1Confident89.5Confident60 Ų6069.8 Ų69.837%0.36836%0.355SS..SBendtrans-87.5-9.5178.1-41.40000112.9Y301 I303T281-Y301 HydrophobicContact CG2-CD2 4.5Å; T281-Y301 HydrophobicContact CG2-CE2 3.59Å; T281-Y301 WeakPolarHBondContact CG2-OH 3.39Å; T281-Y301 PolarHBondContact N-O 2.72Å; T281-Y301 VanDerWaalsContact OG1-CD2 3.23Å; T281-Y301 WeakPolarHBondContact OG1-CD2 3.43Å; T281-Y301 WeakPolarHBondContact OG1-CE2 3.47Å; T281-Y301 PolarHBondContact OG1-O 3.44Å; T281-I303 HydrophobicContact CG2-CD1 4.17Å; T281-I303 WeakPolarHBondContact OG1-CG2 3.3Å
282S80.4Confident89.1Confident42 Ų4268.1 Ų68.129%0.29435%0.348SS..SBendtrans-118.9141.7177.3-178.70000109.4Y284S282-Y284 PolarHBondContact O-N 2.83Å; S282-Y284 PolarHBondContact OG-N 3.25Å; S282-Y284 PolarHBondContact OG-O 2.02Å
283D81.1Confident88.8Confident167 Ų16772.3 Ų72.389%0.89337%0.368SS*.SBendtrans-64.9-22.7170.1-59-46000111.7
284Y83.8Confident88.7Confident169 Ų16968.8 Ų68.866%0.66335%0.354SS*.  trans-83.8116.3172.1-59.1-83.5000110S282 Y298S282-Y284 PolarHBondContact O-N 2.83Å; S282-Y284 PolarHBondContact OG-N 3.25Å; S282-Y284 PolarHBondContact OG-O 2.02Å; Y284-Y298 WeakPolarHBondContact CB-OH 3.43Å; Y284-Y298 PolarHBondContact O-OH 3.46Å
285K90.1Very high88.6Confident73 Ų7370.9 Ų70.932%0.31736%0.36SS..  trans-107.94.7174.365.1169.5166.6150.30114E271 F272 L280E271-K285 WeakPolarHBondContact CA-O 3.04Å; E271-K285 HydrophobicContact CG-CD 4.28Å; E271-K285 IonicContact OE1-NZ 3.3Å; E271-K285 PolarHBondContact OE1-NZ 3.32Å; F272-K285 PolarHBondContact N-O 2.83Å; L280-K285 HydrophobicContact CD1-CB 3.4Å
286Y92.4Very high88.3Confident103 Ų10370.9 Ų70.940%0.40436%0.364SS..EExtended strand (participates in β ladder)trans-117.1142.9-174.9-59.6-74.1000111.2V269 V270 E271 Y298V269-Y286 HydrophobicContact CG1-CD1 3.91Å; V270-Y286 VanDerWaalsContact O-CA 3.31Å; V270-Y286 WeakPolarHBondContact O-CA 3.09Å; E271-Y286 HydrophobicContact CB-CD1 3.81Å; E271-Y286 HydrophobicContact CB-CE1 3.62Å; E271-Y286 VanDerWaalsContact CD-CE1 3.44Å; E271-Y286 HydrophobicContact CG-CD1 4.05Å; E271-Y286 HydrophobicContact CG-CE1 3.48Å; E271-Y286 VanDerWaalsContact CG-CE1 3.48Å; E271-Y286 PolarHBondContact OE1-OH 2.77Å; Y286-Y298 PolarHBondContact O-OH 3.07Å
287I92.8Very high87.9Confident4 Ų469.8 Ų69.82%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-129.8147.7160.260.8179.5000108.6P247 V270 F272 W294 F295 Y298P247-I287 HydrophobicContact CG-CD1 4.3Å; V270-I287 HydrophobicContact CB-CD1 4.3Å; V270-I287 HydrophobicContact CB-CG1 3.77Å; V270-I287 HydrophobicContact CG1-CD1 4.44Å; V270-I287 HydrophobicContact CG1-CG1 4.27Å; V270-I287 PolarHBondContact N-O 3.47Å; V270-I287 PolarHBondContact O-N 3.31Å; F272-I287 HydrophobicContact CE2-CB 4.47Å; F272-I287 HydrophobicContact CE2-CD1 3.59Å; F272-I287 HydrophobicContact CE2-CG1 3.71Å; F272-I287 HydrophobicContact CE2-CG2 4.09Å; F272-I287 HydrophobicContact CZ-CD1 3.59Å; F272-I287 HydrophobicContact CZ-CG1 4.19Å; I287-W294 HydrophobicContact CB-CE3 4.21Å; I287-W294 HydrophobicContact CD1-CB 4.02Å; I287-W294 HydrophobicContact CD1-CD2 3.73Å; I287-W294 HydrophobicContact CD1-CE3 3.71Å; I287-W294 HydrophobicContact CD1-CG 3.87Å; I287-W294 HydrophobicContact CD1-CZ3 4.47Å; I287-W294 HydrophobicContact CG1-CD2 4.22Å; I287-W294 HydrophobicContact CG1-CE3 3.65Å; I287-W294 HydrophobicContact CG1-CZ3 4.21Å; I287-F295 CarbonylContact C-O 3.58Å; I287-F295 WeakPolarHBondContact CA-O 3.43Å; I287-Y298 HydrophobicContact CG2-CE1 3.88Å
288T92.8Very high87.7Confident40 Ų4070.5 Ų70.525%0.24535%0.349CS..EExtended strand (participates in β ladder)trans-121136.7179.7-55.80000109.1T268 V269 Q290 F295T268-T288 CarbonylContact O-C 3.53Å; T268-T288 WeakPolarHBondContact O-CA 2.94Å; V269-T288 HydrophobicContact CG2-CG2 4.2Å; T288-Q290 HydrophobicContact CG2-CG 4.22Å; T288-Q290 PolarHBondContact O-N 2.84Å; T288-F295 PolarHBondContact N-O 2.87Å; T288-F295 PolarHBondContact O-N 3.24Å
289C90.7Very high87.2Confident0 Ų075 Ų750%037%0.373CS..EExtended strand (participates in β ladder)trans-70.9114.8171.7-178.60000109.5C243 Y264 N265 G267 T268 W294C243-C289 HydrophobicContact CB-CB 3.86Å; C243-C289 WeakPolarHBondContact CB-SG 3.28Å; C243-C289 PolarHBondContact N-SG 3.03Å; C243-C289 WeakPolarHBondContact SG-CA 3.5Å; C243-C289 WeakPolarHBondContact SG-CB 3.21Å; C243-C289 CovalentContact SG-SG 2.02Å; C243-C289 PolarHBondContact SG-SG 2.03Å; Y264-C289 PolarHBondContact O-SG 3.37Å; N265-C289 WeakPolarHBondContact O-CB 3.44Å; G267-C289 PolarHBondContact N-O 2.84Å; T268-C289 PolarHBondContact O-N 3.2Å; C289-W294 HydrophobicContact CB-CE3 4.14Å; C289-W294 HydrophobicContact CB-CH2 3.96Å; C289-W294 HydrophobicContact CB-CZ3 3.72Å; C289-W294 VanDerWaalsContact N-CZ3 3.34Å
290Q88.4Confident86.9Confident80 Ų8073.6 Ų73.637%0.37436%0.362SS..EExtended strand (participates in β ladder)trans-127.2122.1174.1-45.5-18017.100107.5T288 G292 E293 F295T288-Q290 HydrophobicContact CG2-CG 4.22Å; T288-Q290 PolarHBondContact O-N 2.84Å; Q290-G292 PolarHBondContact O-N 2.81Å; Q290-G292 VanDerWaalsContact O-N 3.08Å; Q290-E293 PolarHBondContact N-O 3.25Å; Q290-E293 PolarHBondContact O-N 2.85Å; Q290-E293 VanDerWaalsContact O-O 3.09Å; Q290-F295 HydrophobicContact CB-CD2 3.67Å; Q290-F295 HydrophobicContact CB-CE2 4.17Å; Q290-F295 HydrophobicContact CG-CB 4.28Å; Q290-F295 HydrophobicContact CG-CD2 4.07Å
291Y82.6Confident86.9Confident143 Ų14377 Ų7756%0.56137%0.373SS*.THydrogen-bonded Turntrans45.939.8-177.5-45.8-76.2000114.2G213 L240 H266 E293G213-Y291 WeakPolarHBondContact CA-O 3.39Å; L240-Y291 CarbonylContact O-C 3.5Å; H266-Y291 AromaticContact CD2-CD1 3.91Å; H266-Y291 PolarHBondContact CD2-N 2.99Å; H266-Y291 AromaticContact NE2-CD1 3.88Å; H266-Y291 AromaticContact NE2-CE1 3.68Å; H266-Y291 AromaticContact NE2-CE2 3.97Å; H266-Y291 AromaticContact NE2-CZ 3.72Å; Y291-E293 VanDerWaalsContact C-N 3.31Å; Y291-E293 PolarHBondContact O-N 3.47Å
292G84.2Confident87.2Confident4 Ų474.5 Ų74.54%0.04136%0.358CS..THydrogen-bonded Turntrans81.72.7176.700000115.7L240 C243 P244 Q290L240-G292 WeakPolarHBondContact O-CA 3.24Å; L240-G292 PolarHBondContact O-N 2.79Å; C243-G292 WeakPolarHBondContact CA-O 3.04Å; C243-G292 WeakPolarHBondContact SG-CA 3.46Å; P244-G292 WeakPolarHBondContact CD-O 3.47Å; Q290-G292 PolarHBondContact O-N 2.81Å; Q290-G292 VanDerWaalsContact O-N 3.08Å
293E87.8Confident87.7Confident92 Ų9276.3 Ų76.343%0.4336%0.363SS..EExtended strand (participates in β ladder)trans-117.3153.1171.2-69.8-179.9-179.800111.4C243 Q290 Y291 F295C243-E293 VanDerWaalsContact SG-C 3.58Å; C243-E293 PolarHBondContact SG-N 2.83Å; C243-E293 VanDerWaalsContact SG-N 3.39Å; C243-E293 PolarHBondContact SG-O 3.25Å; Q290-E293 PolarHBondContact N-O 3.25Å; Q290-E293 PolarHBondContact O-N 2.85Å; Q290-E293 VanDerWaalsContact O-O 3.09Å; Y291-E293 VanDerWaalsContact C-N 3.31Å; Y291-E293 PolarHBondContact O-N 3.47Å; E293-F295 HydrophobicContact CB-CD2 4.23Å; E293-F295 HydrophobicContact CB-CE2 3.55Å; E293-F295 HydrophobicContact CB-CZ 4.09Å; E293-F295 WeakPolarHBondContact O-CD2 3Å
294W89.7Confident88.1Confident26 Ų2675.9 Ų75.910%0.09835%0.353CS..EExtended strand (participates in β ladder)trans-88.7118.5179.4-72.6113.7000111C243 P244 P246 Y264 T268 V270 I287 C289C243-W294 HydrophobicContact CB-CD2 4.16Å; C243-W294 HydrophobicContact CB-CH2 4.27Å; C243-W294 HydrophobicContact CB-CZ2 3.61Å; P244-W294 PolarHBondContact O-NE1 3.39Å; P246-W294 HydrophobicContact CB-CZ2 4.48Å; P246-W294 HydrophobicContact CG-CH2 4.2Å; P246-W294 HydrophobicContact CG-CZ2 3.65Å; Y264-W294 AromaticContact CD1-CH2 3.75Å; Y264-W294 HydrophobicContact CD1-CH2 3.75Å; Y264-W294 AromaticContact CD1-CZ2 3.78Å; Y264-W294 HydrophobicContact CD1-CZ2 3.78Å; Y264-W294 HydrophobicContact CG-CH2 4.04Å; Y264-W294 AromaticContact CG-CZ2 3.72Å; Y264-W294 HydrophobicContact CG-CZ2 3.72Å; T268-W294 HydrophobicContact CG2-CH2 4.39Å; V270-W294 HydrophobicContact CB-CH2 4.44Å; V270-W294 HydrophobicContact CB-CZ3 4.2Å; V270-W294 HydrophobicContact CG2-CH2 3.41Å; V270-W294 VanDerWaalsContact CG2-CH2 3.41Å; V270-W294 HydrophobicContact CG2-CZ2 4.21Å; V270-W294 HydrophobicContact CG2-CZ3 3.61Å; I287-W294 HydrophobicContact CB-CE3 4.21Å; I287-W294 HydrophobicContact CD1-CB 4.02Å; I287-W294 HydrophobicContact CD1-CD2 3.73Å; I287-W294 HydrophobicContact CD1-CE3 3.71Å; I287-W294 HydrophobicContact CD1-CG 3.87Å; I287-W294 HydrophobicContact CD1-CZ3 4.47Å; I287-W294 HydrophobicContact CG1-CD2 4.22Å; I287-W294 HydrophobicContact CG1-CE3 3.65Å; I287-W294 HydrophobicContact CG1-CZ3 4.21Å; C289-W294 HydrophobicContact CB-CE3 4.14Å; C289-W294 HydrophobicContact CB-CH2 3.96Å; C289-W294 HydrophobicContact CB-CZ3 3.72Å; C289-W294 VanDerWaalsContact N-CZ3 3.34Å
295F90.3Very high87.9Confident72 Ų7269 Ų6932%0.31633%0.33SS..EExtended strand (participates in β ladder)trans-118.3137.8-179.9-71.4-85.1000113I287 T288 Q290 E293I287-F295 CarbonylContact C-O 3.58Å; I287-F295 WeakPolarHBondContact CA-O 3.43Å; T288-F295 PolarHBondContact N-O 2.87Å; T288-F295 PolarHBondContact O-N 3.24Å; Q290-F295 HydrophobicContact CB-CD2 3.67Å; Q290-F295 HydrophobicContact CB-CE2 4.17Å; Q290-F295 HydrophobicContact CG-CB 4.28Å; Q290-F295 HydrophobicContact CG-CD2 4.07Å; E293-F295 HydrophobicContact CB-CD2 4.23Å; E293-F295 HydrophobicContact CB-CE2 3.55Å; E293-F295 HydrophobicContact CB-CZ 4.09Å; E293-F295 WeakPolarHBondContact O-CD2 3Å
296P89.8Confident87Confident72 Ų7274.9 Ų74.947%0.46836%0.358SS..SBendcis-72.6151.5-8.412.4-4.9000112.2Y298P296-Y298 VanDerWaalsContact C-N 3.26Å; P296-Y298 HydrophobicContact CB-CD1 3.8Å; P296-Y298 HydrophobicContact CB-CE1 4.08Å; P296-Y298 HydrophobicContact CG-CD1 3.83Å; P296-Y298 HydrophobicContact CG-CE1 3.61Å; P296-Y298 WeakPolarHBondContact O-CD1 3.45Å; P296-Y298 WeakPolarHBondContact O-CE1 3.31Å; P296-Y298 PolarHBondContact O-N 2.73Å; P296-Y298 VanDerWaalsContact O-N 3.07Å
297S83.9Confident85.3Confident107 Ų10777.2 Ų77.275%0.74837%0.373SS*.  trans-85.839.6-170.551.30000114.7
298Y82.8Confident83.1Confident58 Ų5883.2 Ų83.223%0.22741%0.41CS..PPolyproline II helixtrans-88.9155.2179.764.9-71.2000112Y284 Y286 I287 P296 V300Y284-Y298 WeakPolarHBondContact CB-OH 3.43Å; Y284-Y298 PolarHBondContact O-OH 3.46Å; Y286-Y298 PolarHBondContact O-OH 3.07Å; I287-Y298 HydrophobicContact CG2-CE1 3.88Å; P296-Y298 VanDerWaalsContact C-N 3.26Å; P296-Y298 HydrophobicContact CB-CD1 3.8Å; P296-Y298 HydrophobicContact CB-CE1 4.08Å; P296-Y298 HydrophobicContact CG-CD1 3.83Å; P296-Y298 HydrophobicContact CG-CE1 3.61Å; P296-Y298 WeakPolarHBondContact O-CD1 3.45Å; P296-Y298 WeakPolarHBondContact O-CE1 3.31Å; P296-Y298 PolarHBondContact O-N 2.73Å; P296-Y298 VanDerWaalsContact O-N 3.07Å; Y298-V300 HydrophobicContact CD2-CG2 4.08Å; Y298-V300 HydrophobicContact CE2-CG2 3.57Å
299Q81.3Confident80.5Confident171 Ų17192.7 Ų92.780%0.79944%0.441SS*.PPolyproline II helixtrans-80.9121.9174.6-68.1-177.5-300110.4Y301Q299-Y301 WeakPolarHBondContact O-CD1 3.5Å
300V85.1Confident78.4Confident16 Ų1697.2 Ų97.210%0.09747%0.471CS..PPolyproline II helixtrans-92.1126.7174.3-176.90000109.2V249 F272 L280 Y298V249-V300 HydrophobicContact CG1-CG1 4.4Å; V249-V300 HydrophobicContact CG2-CB 3.94Å; V249-V300 HydrophobicContact CG2-CG1 3.91Å; F272-V300 HydrophobicContact CB-CG1 3.95Å; F272-V300 HydrophobicContact CD1-CG1 4.33Å; F272-V300 HydrophobicContact CD2-CB 4.23Å; F272-V300 HydrophobicContact CD2-CG1 4.05Å; F272-V300 HydrophobicContact CD2-CG2 3.75Å; F272-V300 HydrophobicContact CE2-CB 4.37Å; F272-V300 HydrophobicContact CE2-CG2 3.76Å; F272-V300 HydrophobicContact CG-CB 4.35Å; F272-V300 HydrophobicContact CG-CG1 3.85Å; F272-V300 HydrophobicContact CG-CG2 4.36Å; F272-V300 HydrophobicContact CZ-CG2 4.39Å; L280-V300 HydrophobicContact CD2-CG1 3.58Å; Y298-V300 HydrophobicContact CD2-CG2 4.08Å; Y298-V300 HydrophobicContact CE2-CG2 3.57Å
301Y89.4Confident76.3Confident119 Ų11995.4 Ų95.447%0.46747%0.474SS..  trans-143.1137.7177.457.9-79.7000111.6T281 Q299 I303T281-Y301 HydrophobicContact CG2-CD2 4.5Å; T281-Y301 HydrophobicContact CG2-CE2 3.59Å; T281-Y301 WeakPolarHBondContact CG2-OH 3.39Å; T281-Y301 PolarHBondContact N-O 2.72Å; T281-Y301 VanDerWaalsContact OG1-CD2 3.23Å; T281-Y301 WeakPolarHBondContact OG1-CD2 3.43Å; T281-Y301 WeakPolarHBondContact OG1-CE2 3.47Å; T281-Y301 PolarHBondContact OG1-O 3.44Å; Q299-Y301 WeakPolarHBondContact O-CD1 3.5Å; Y301-I303 HydrophobicContact CD2-CG2 3.87Å; Y301-I303 HydrophobicContact CE2-CG2 3.96Å
302C92Very high74.9Confident7 Ų793.9 Ų93.95%0.04748%0.48CS..EExtended strand (participates in β ladder)trans-92116.4176.5-66.30000109.6V249 S250 H251 C274 Y278 S279V249-C302 HydrophobicContact CG1-CB 4.37Å; S250-C302 WeakPolarHBondContact O-CB 3.25Å; H251-C302 HydrophobicContact CB-CB 4.32Å; C274-C302 WeakPolarHBondContact CA-SG 3.37Å; C274-C302 HydrophobicContact CB-CB 3.78Å; C274-C302 WeakPolarHBondContact CB-SG 3.41Å; C274-C302 WeakPolarHBondContact SG-CB 3.41Å; C274-C302 CovalentContact SG-SG 2.03Å; C274-C302 PolarHBondContact SG-SG 2.9Å; Y278-C302 HydrophobicContact CD1-CB 4.41Å; S279-C302 WeakPolarHBondContact O-CA 3.27Å
303I91.7Very high73.4Confident79 Ų79100.6 Ų100.641%0.40551%0.509SS..EExtended strand (participates in β ladder)trans-92.8150.2172.155173.3000110Y278 S279 T281 Y301 S305Y278-I303 CarbonylContact C-O 3.52Å; Y278-I303 WeakPolarHBondContact CA-O 3.46Å; Y278-I303 WeakPolarHBondContact CB-O 3.33Å; Y278-I303 VanDerWaalsContact CD1-C 3.47Å; S279-I303 PolarHBondContact N-O 3.17Å; S279-I303 WeakPolarHBondContact O-CG1 3.35Å; S279-I303 PolarHBondContact O-N 3.49Å; T281-I303 HydrophobicContact CG2-CD1 4.17Å; T281-I303 WeakPolarHBondContact OG1-CG2 3.3Å; Y301-I303 HydrophobicContact CD2-CG2 3.87Å; Y301-I303 HydrophobicContact CE2-CG2 3.96Å; I303-S305 PolarHBondContact O-N 3Å
304K89.4Confident71.7Confident158 Ų158102.2 Ų102.269%0.68752%0.517SS*.EExtended strand (participates in β ladder)trans-61.5125175.1-174.1-178.6-179.1-177.60108.4G277 Y278 E306G277-K304 WeakPolarHBondContact O-CA 3.49Å; Y278-K304 HydrophobicContact CD1-CB 4.26Å; Y278-K304 HydrophobicContact CE1-CB 4.09Å; K304-E306 PolarHBondContact O-N 3.19Å
305S78.9Confident70.1Confident24 Ų24104.8 Ų104.817%0.16854%0.536CS..PPolyproline II helixtrans-69.8118.2-176.757.60000109.5G277 I303 Q307G277-S305 PolarHBondContact O-N 2.75Å; G277-S305 PolarHBondContact O-OG 2.9Å; I303-S305 PolarHBondContact O-N 3Å; S305-Q307 PolarHBondContact O-N 3.42Å
306E70.4Confident68.3Low197 Ų197106.1 Ų106.192%0.92155%0.545SS*.  trans-73.262.3162.3-68.8-163.4161.600109.6K304 T308K304-E306 PolarHBondContact O-N 3.19Å; E306-T308 PolarHBondContact O-N 3.45Å
307Q56.9Low66.8Low153 Ų153107.3 Ų107.372%0.71555%0.547SS*.  trans-62.1111.1155.4-76.3174.9-4.100105.8S305 W309S305-Q307 PolarHBondContact O-N 3.42Å; Q307-W309 VanDerWaalsContact C-N 3.34Å; Q307-W309 PolarHBondContact O-N 3.38Å
308T47.7Very low65.6Low130 Ų130105.5 Ų105.580%0.79853%0.532SS*.  trans-47103.6164.4350000108E306 P310E306-T308 PolarHBondContact O-N 3.45Å; T308-P310 WeakPolarHBondContact O-CD 3.45Å; T308-P310 VanDerWaalsContact O-N 3.16Å
309W38.7Very low64.4Low238 Ų238106.3 Ų106.390%0.90254%0.543SS*.  trans-47.2124.9146.3-78.381000105.2Q307 G311Q307-W309 VanDerWaalsContact C-N 3.34Å; Q307-W309 PolarHBondContact O-N 3.38Å; W309-G311 PolarHBondContact O-N 3.05Å
310P46.2Very low63.3Low96 Ų96107.7 Ų107.762%0.62354%0.541SS*.  trans-61.899.6170.125.2-31.3000105.5T308 T312T308-P310 WeakPolarHBondContact O-CD 3.45Å; T308-P310 VanDerWaalsContact O-N 3.16Å; P310-T312 PolarHBondContact O-N 2.93Å
311G44.2Very low62.1Low42 Ų42113.5 Ų113.543%0.43357%0.565SS.*  trans-53.4132.1178.500000106.7W309 H313 E314W309-G311 PolarHBondContact O-N 3.05Å; G311-H313 PolarHBondContact O-N 3.25Å; G311-E314 PolarHBondContact O-N 3.27Å
312T53.5Low60.9Low111 Ų111113 Ų11368%0.68157%0.57SS**Hα-helixtrans-59-3.5-173.845.50000114.1P310 T315 L316P310-T312 PolarHBondContact O-N 2.93Å; T312-T315 PolarHBondContact O-OG1 3.03Å; T312-L316 WeakPolarHBondContact O-CB 3.36Å; T312-L316 PolarHBondContact O-N 2.91Å
313H52.4Low59.7Low144 Ų144117.1 Ų117.167%0.66759%0.594SS**Hα-helixtrans-70.8-37.7165.9-82.8-102.8000115G311 L316 L317G311-H313 PolarHBondContact O-N 3.25Å; H313-L316 PolarHBondContact O-N 3.1Å; H313-L317 WeakPolarHBondContact O-CB 3.31Å; H313-L317 WeakPolarHBondContact O-CG 3.17Å; H313-L317 PolarHBondContact O-N 2.96Å
314E52Low58.4Low126 Ų126115.9 Ų115.959%0.58960%0.596SS**Hα-helixtrans-67.1-42.2-178.8-79.4-73.5133.200111.2G311 L316 L317 T318G311-E314 PolarHBondContact O-N 3.27Å; E314-L316 VanDerWaalsContact C-N 3.33Å; E314-L316 PolarHBondContact O-N 3.39Å; E314-L317 PolarHBondContact O-N 2.82Å; E314-T318 WeakPolarHBondContact O-CB 3.26Å; E314-T318 WeakPolarHBondContact O-CG2 3.29Å; E314-T318 PolarHBondContact O-N 3.45Å; E314-T318 PolarHBondContact O-OG1 3.04Å
315T54.8Low57.3Low80 Ų80115.2 Ų115.249%0.49159%0.593SS.*Hα-helixtrans-69-30.3175.151.90000112.4T312 T318 T319T312-T315 PolarHBondContact O-OG1 3.03Å; T315-T318 WeakPolarHBondContact CA-OG1 3.49Å; T315-T318 PolarHBondContact O-OG1 3.02Å; T315-T319 WeakPolarHBondContact O-CB 3.4Å; T315-T319 VanDerWaalsContact O-CG2 3.27Å; T315-T319 WeakPolarHBondContact O-CG2 3.47Å; T315-T319 PolarHBondContact O-N 3.49Å; T315-T319 PolarHBondContact O-OG1 2.94Å
316L54.3Low56.9Low100 Ų100117.8 Ų117.852%0.52461%0.608SS.*Hα-helixtrans-73.3-41.4173.9-122.7164000112.3T312 H313 E314 T319 W320T312-L316 WeakPolarHBondContact O-CB 3.36Å; T312-L316 PolarHBondContact O-N 2.91Å; H313-L316 PolarHBondContact O-N 3.1Å; E314-L316 VanDerWaalsContact C-N 3.33Å; E314-L316 PolarHBondContact O-N 3.39Å; L316-T319 WeakPolarHBondContact CA-OG1 3.17Å; L316-T319 PolarHBondContact O-OG1 3.37Å; L316-T319 VanDerWaalsContact O-OG1 3.07Å; L316-W320 WeakPolarHBondContact O-CB 3.38Å; L316-W320 PolarHBondContact O-N 3.04Å
317L56.3Low56.9Low97 Ų97111.1 Ų111.151%0.50859%0.587SS.*Hα-helixtrans-70.8-38179.3-79.8163.3000112.7H313 E314 K321H313-L317 WeakPolarHBondContact O-CB 3.31Å; H313-L317 WeakPolarHBondContact O-CG 3.17Å; H313-L317 PolarHBondContact O-N 2.96Å; E314-L317 PolarHBondContact O-N 2.82Å; L317-K321 WeakPolarHBondContact O-CB 3.42Å; L317-K321 WeakPolarHBondContact O-CG 3.09Å; L317-K321 PolarHBondContact O-N 3.36Å
318T59Low58Low70 Ų70107.6 Ų107.643%0.42958%0.576SS.*Hα-helixtrans-67-44.2173.746.70000111.7E314 T315 K321 I322E314-T318 WeakPolarHBondContact O-CB 3.26Å; E314-T318 WeakPolarHBondContact O-CG2 3.29Å; E314-T318 PolarHBondContact O-N 3.45Å; E314-T318 PolarHBondContact O-OG1 3.04Å; T315-T318 WeakPolarHBondContact CA-OG1 3.49Å; T315-T318 PolarHBondContact O-OG1 3.02Å; T318-K321 PolarHBondContact O-N 2.64Å; T318-I322 WeakPolarHBondContact O-CD1 3.25Å; T318-I322 VanDerWaalsContact O-CG1 3.3Å; T318-I322 WeakPolarHBondContact O-CG1 3.29Å; T318-I322 PolarHBondContact O-N 3.16Å
319T58.1Low59.5Low75 Ų75104.6 Ų104.646%0.4656%0.56SS.*Hα-helixtrans-66.5-40.8175.551.50000112.9T315 L316 K321 I322 V323T315-T319 WeakPolarHBondContact O-CB 3.4Å; T315-T319 VanDerWaalsContact O-CG2 3.27Å; T315-T319 WeakPolarHBondContact O-CG2 3.47Å; T315-T319 PolarHBondContact O-N 3.49Å; T315-T319 PolarHBondContact O-OG1 2.94Å; L316-T319 WeakPolarHBondContact CA-OG1 3.17Å; L316-T319 PolarHBondContact O-OG1 3.37Å; L316-T319 VanDerWaalsContact O-OG1 3.07Å; T319-K321 PolarHBondContact O-N 2.93Å; T319-I322 PolarHBondContact O-N 3.41Å; T319-V323 WeakPolarHBondContact O-CG2 3.04Å; T319-V323 PolarHBondContact O-N 2.91Å
320W58.3Low61.6Low199 Ų19997.5 Ų97.575%0.75454%0.543SS*.Hα-helixtrans-61.2-41.2173.6-111.753.2000112.7L316 V323 A324L316-W320 WeakPolarHBondContact O-CB 3.38Å; L316-W320 PolarHBondContact O-N 3.04Å; W320-V323 PolarHBondContact O-N 3.46Å; W320-A324 WeakPolarHBondContact O-CB 3.48Å; W320-A324 PolarHBondContact O-N 3.15Å
321K60.2Low63.4Low139 Ų13998.6 Ų98.660%0.60454%0.543SS*.Hα-helixtrans-61.4-46.3174.3-79.3175.8174176.40111.5L317 T318 T319 V323 A324 F325L317-K321 WeakPolarHBondContact O-CB 3.42Å; L317-K321 WeakPolarHBondContact O-CG 3.09Å; L317-K321 PolarHBondContact O-N 3.36Å; T318-K321 PolarHBondContact O-N 2.64Å; T319-K321 PolarHBondContact O-N 2.93Å; K321-V323 PolarHBondContact O-N 2.92Å; K321-A324 PolarHBondContact O-N 2.91Å; K321-F325 VanDerWaalsContact O-CD2 3.29Å; K321-F325 WeakPolarHBondContact O-CD2 3.37Å; K321-F325 PolarHBondContact O-N 3.32Å
322I64.6Low65.2Low109 Ų109101.7 Ų101.756%0.55955%0.549SS*.Hα-helixtrans-63.5-40.2179-66.1162.9000111.4T318 T319 T326T318-I322 WeakPolarHBondContact O-CD1 3.25Å; T318-I322 VanDerWaalsContact O-CG1 3.3Å; T318-I322 WeakPolarHBondContact O-CG1 3.29Å; T318-I322 PolarHBondContact O-N 3.16Å; T319-I322 PolarHBondContact O-N 3.41Å; I322-T326 WeakPolarHBondContact O-CB 3.34Å; I322-T326 WeakPolarHBondContact O-CG2 3.5Å; I322-T326 PolarHBondContact O-N 2.83Å; I322-T326 PolarHBondContact O-OG1 3.11Å
323V65.4Low66.7Low93 Ų93100.6 Ų100.656%0.56454%0.542SS*.Hα-helixtrans-67-39.2175.6173.70000111.5T319 W320 K321 T326 A327T319-V323 WeakPolarHBondContact O-CG2 3.04Å; T319-V323 PolarHBondContact O-N 2.91Å; W320-V323 PolarHBondContact O-N 3.46Å; K321-V323 PolarHBondContact O-N 2.92Å; V323-T326 WeakPolarHBondContact CA-OG1 3.44Å; V323-T326 PolarHBondContact O-OG1 2.66Å; V323-T326 VanDerWaalsContact O-OG1 3.1Å; V323-A327 VanDerWaalsContact O-CB 3.26Å; V323-A327 WeakPolarHBondContact O-CB 3.39Å; V323-A327 PolarHBondContact O-N 3.09Å
324A65.3Low68.2Low53 Ų5398.6 Ų98.644%0.43854%0.535SS..Hα-helixtrans-67.8-39.4176.300000113.1W320 K321 T328W320-A324 WeakPolarHBondContact O-CB 3.48Å; W320-A324 PolarHBondContact O-N 3.15Å; K321-A324 PolarHBondContact O-N 2.91Å; A324-T328 WeakPolarHBondContact O-CG2 3.49Å; A324-T328 PolarHBondContact O-N 2.76Å; A324-T328 PolarHBondContact O-OG1 3.02Å
325F67.3Low69.8Low143 Ų14396.7 Ų96.763%0.62753%0.529SS*.Hα-helixtrans-70.8-36.7176.2-86.7-71.9000112.8K321 T328 S329K321-F325 VanDerWaalsContact O-CD2 3.29Å; K321-F325 WeakPolarHBondContact O-CD2 3.37Å; K321-F325 PolarHBondContact O-N 3.32Å; F325-T328 WeakPolarHBondContact CA-OG1 3.35Å; F325-T328 PolarHBondContact O-OG1 2.69Å; F325-S329 WeakPolarHBondContact O-CB 3.32Å; F325-S329 PolarHBondContact O-N 2.85Å; F325-S329 PolarHBondContact O-OG 2.98Å
326T69.3Low71.1Confident78 Ų7897.8 Ų97.848%0.47953%0.531SS..Hα-helixtrans-70.8-41.1174.949.90000111.8I322 V323 S329 V330I322-T326 WeakPolarHBondContact O-CB 3.34Å; I322-T326 WeakPolarHBondContact O-CG2 3.5Å; I322-T326 PolarHBondContact O-N 2.83Å; I322-T326 PolarHBondContact O-OG1 3.11Å; V323-T326 WeakPolarHBondContact CA-OG1 3.44Å; V323-T326 PolarHBondContact O-OG1 2.66Å; V323-T326 VanDerWaalsContact O-OG1 3.1Å; T326-S329 PolarHBondContact O-N 2.85Å; T326-V330 WeakPolarHBondContact O-CG2 3.34Å; T326-V330 PolarHBondContact O-N 2.97Å
327A71.6Confident72.5Confident58 Ų5896.6 Ų96.648%0.47953%0.528SS..Hα-helixtrans-62.7-42.9175.400000112.9V323 V330 L331V323-A327 VanDerWaalsContact O-CB 3.26Å; V323-A327 WeakPolarHBondContact O-CB 3.39Å; V323-A327 PolarHBondContact O-N 3.09Å; A327-V330 PolarHBondContact O-N 3.36Å; A327-L331 WeakPolarHBondContact O-CB 3.33Å; A327-L331 PolarHBondContact O-N 2.79Å
328T78.3Confident73.7Confident78 Ų7897 Ų9748%0.47953%0.529SS..Hα-helixtrans-68.6-38.117747.50000112.2A324 F325 L331 L332A324-T328 WeakPolarHBondContact O-CG2 3.49Å; A324-T328 PolarHBondContact O-N 2.76Å; A324-T328 PolarHBondContact O-OG1 3.02Å; F325-T328 WeakPolarHBondContact CA-OG1 3.35Å; F325-T328 PolarHBondContact O-OG1 2.69Å; T328-L331 PolarHBondContact O-N 3.31Å; T328-L332 WeakPolarHBondContact O-CB 3.37Å; T328-L332 PolarHBondContact O-N 2.91Å
329S79.6Confident74.6Confident68 Ų6897.9 Ų97.948%0.47653%0.531SS..Hα-helixtrans-62.3-44.9173.9-61.70000112.4F325 T326 L332 V333F325-S329 WeakPolarHBondContact O-CB 3.32Å; F325-S329 PolarHBondContact O-N 2.85Å; F325-S329 PolarHBondContact O-OG 2.98Å; T326-S329 PolarHBondContact O-N 2.85Å; S329-L332 PolarHBondContact O-N 3.5Å; S329-V333 WeakPolarHBondContact O-CG2 3.4Å; S329-V333 PolarHBondContact O-N 3.31Å
330V83.9Confident75.3Confident88 Ų8896.8 Ų96.853%0.53353%0.53SS..Hα-helixtrans-63.6-42.3176.5171.10000111.1T326 A327 V333 L334T326-V330 WeakPolarHBondContact O-CG2 3.34Å; T326-V330 PolarHBondContact O-N 2.97Å; A327-V330 PolarHBondContact O-N 3.36Å; V330-V333 PolarHBondContact O-N 2.95Å; V330-L334 HydrophobicContact CG1-CD1 4.05Å; V330-L334 HydrophobicContact CG1-CG 4.44Å; V330-L334 WeakPolarHBondContact O-CG 3.28Å; V330-L334 PolarHBondContact O-N 3.28Å
331L82.2Confident75.9Confident120 Ų12096.2 Ų96.263%0.62853%0.527SS*.Hα-helixtrans-67.5-37.2179.6-160.9131000112.1A327 T328 L335A327-L331 WeakPolarHBondContact O-CB 3.33Å; A327-L331 PolarHBondContact O-N 2.79Å; T328-L331 PolarHBondContact O-N 3.31Å; L331-L335 VanDerWaalsContact O-CB 3.31Å; L331-L335 WeakPolarHBondContact O-CB 3.27Å; L331-L335 PolarHBondContact O-N 2.78Å
332L83.3Confident76.2Confident107 Ų10795.4 Ų95.456%0.5653%0.527SS*.Hα-helixtrans-63.4-45.4171-102165.3000112.2T328 S329 L334 L335 L336T328-L332 WeakPolarHBondContact O-CB 3.37Å; T328-L332 PolarHBondContact O-N 2.91Å; S329-L332 PolarHBondContact O-N 3.5Å; L332-L334 PolarHBondContact O-N 2.88Å; L332-L335 PolarHBondContact O-N 3.27Å; L332-L336 WeakPolarHBondContact O-CB 3.21Å; L332-L336 VanDerWaalsContact O-CG 3.3Å; L332-L336 WeakPolarHBondContact O-CG 3.16Å; L332-L336 PolarHBondContact O-N 2.85Å
333V84.4Confident76.2Confident88 Ų8897.7 Ų97.753%0.53353%0.533SS..Hα-helixtrans-63.3-42.3177.4170.50000111S329 V330 L336 V337S329-V333 WeakPolarHBondContact O-CG2 3.4Å; S329-V333 PolarHBondContact O-N 3.31Å; V330-V333 PolarHBondContact O-N 2.95Å; V333-L336 PolarHBondContact O-N 3.38Å; V333-V337 HydrophobicContact CG1-CG2 4.46Å; V333-V337 WeakPolarHBondContact O-CB 3.49Å; V333-V337 VanDerWaalsContact O-CG2 3.28Å; V333-V337 WeakPolarHBondContact O-CG2 3.3Å; V333-V337 PolarHBondContact O-N 2.82Å
334L84.8Confident75.9Confident101 Ų10199.7 Ų99.753%0.52954%0.537SS..Hα-helixtrans-62.6-42.5174.8-71.8173.2000111.8V330 L332 V337 I338V330-L334 HydrophobicContact CG1-CD1 4.05Å; V330-L334 HydrophobicContact CG1-CG 4.44Å; V330-L334 WeakPolarHBondContact O-CG 3.28Å; V330-L334 PolarHBondContact O-N 3.28Å; L332-L334 PolarHBondContact O-N 2.88Å; L334-V337 PolarHBondContact O-N 2.86Å; L334-I338 VanDerWaalsContact O-CG1 3.27Å; L334-I338 WeakPolarHBondContact O-CG1 3.24Å; L334-I338 PolarHBondContact O-N 3.23Å
335L84.3Confident75.4Confident87 Ų87102.6 Ų102.646%0.45555%0.549SS..Hα-helixtrans-65.7-40.9177.3-164.5151.4000111.5L331 L332 I338 L339L331-L335 VanDerWaalsContact O-CB 3.31Å; L331-L335 WeakPolarHBondContact O-CB 3.27Å; L331-L335 PolarHBondContact O-N 2.78Å; L332-L335 PolarHBondContact O-N 3.27Å; L335-I338 PolarHBondContact O-N 2.88Å; L335-L339 HydrophobicContact CD2-CD1 3.59Å; L335-L339 HydrophobicContact CD2-CG 4.03Å; L335-L339 WeakPolarHBondContact O-CB 3.46Å; L335-L339 WeakPolarHBondContact O-CG 3.42Å; L335-L339 PolarHBondContact O-N 3.27Å
336L83.4Confident74.8Confident102 Ų102104.1 Ų104.153%0.53456%0.555SS.*Hα-helixtrans-64.1-38.1172.3-72.6171.8000112.3L332 V333 A340L332-L336 WeakPolarHBondContact O-CB 3.21Å; L332-L336 VanDerWaalsContact O-CG 3.3Å; L332-L336 WeakPolarHBondContact O-CG 3.16Å; L332-L336 PolarHBondContact O-N 2.85Å; V333-L336 PolarHBondContact O-N 3.38Å; L336-A340 WeakPolarHBondContact O-CB 3.37Å; L336-A340 PolarHBondContact O-N 3.19Å
337V83.3Confident74Confident75 Ų75108.3 Ų108.346%0.45557%0.567SS.*Hα-helixtrans-67-38.4173.9168.80000111.3V333 L334 A340 R341V333-V337 HydrophobicContact CG1-CG2 4.46Å; V333-V337 WeakPolarHBondContact O-CB 3.49Å; V333-V337 VanDerWaalsContact O-CG2 3.28Å; V333-V337 WeakPolarHBondContact O-CG2 3.3Å; V333-V337 PolarHBondContact O-N 2.82Å; L334-V337 PolarHBondContact O-N 2.86Å; V337-A340 PolarHBondContact O-N 2.85Å; V337-R341 HydrophobicContact CG1-CG 4.48Å; V337-R341 WeakPolarHBondContact O-CB 2.96Å; V337-R341 WeakPolarHBondContact O-CG 3.2Å; V337-R341 PolarHBondContact O-N 3.5Å
338I80.6Confident72.8Confident105 Ų105113.5 Ų113.554%0.53858%0.579SS.*Hα-helixtrans-65.5-48.4174.6-69.3162.7000110.4L334 L335 A340 R341 M342L334-I338 VanDerWaalsContact O-CG1 3.27Å; L334-I338 WeakPolarHBondContact O-CG1 3.24Å; L334-I338 PolarHBondContact O-N 3.23Å; L335-I338 PolarHBondContact O-N 2.88Å; I338-A340 PolarHBondContact O-N 3.46Å; I338-R341 PolarHBondContact O-N 2.8Å; I338-M342 HydrophobicContact CG2-SD 4.37Å; I338-M342 WeakPolarHBondContact O-CG 3.04Å; I338-M342 PolarHBondContact O-N 3.05Å
339L78Confident71.3Confident89 Ų89113.4 Ų113.447%0.46659%0.586SS.*Hα-helixtrans-60.1-43.7175.1-71.8177.8000111.7L335 R341 M342 F343L335-L339 HydrophobicContact CD2-CD1 3.59Å; L335-L339 HydrophobicContact CD2-CG 4.03Å; L335-L339 WeakPolarHBondContact O-CB 3.46Å; L335-L339 WeakPolarHBondContact O-CG 3.42Å; L335-L339 PolarHBondContact O-N 3.27Å; L339-R341 VanDerWaalsContact C-N 3.35Å; L339-R341 PolarHBondContact O-N 2.86Å; L339-M342 PolarHBondContact O-N 3.33Å; L339-F343 PolarHBondContact O-N 3.46Å
340A74Confident69.4Low52 Ų52119.3 Ų119.343%0.4361%0.606SS.*Hα-helixtrans-62.9-39.7175.500000111.6L336 V337 I338 F343 Q344L336-A340 WeakPolarHBondContact O-CB 3.37Å; L336-A340 PolarHBondContact O-N 3.19Å; V337-A340 PolarHBondContact O-N 2.85Å; I338-A340 PolarHBondContact O-N 3.46Å; A340-F343 PolarHBondContact O-N 3.33Å; A340-Q344 VanDerWaalsContact O-CB 3.23Å; A340-Q344 WeakPolarHBondContact O-CB 3.23Å; A340-Q344 WeakPolarHBondContact O-CG 3.38Å; A340-Q344 PolarHBondContact O-N 3.48Å
341R69.8Low67Low187 Ų187123.5 Ų123.571%0.70662%0.617SS**Hα-helixtrans-64.8-40.5173.7-74.8-72.8-176.7170.91111.9V337 I338 L339 Q344 T345V337-R341 HydrophobicContact CG1-CG 4.48Å; V337-R341 WeakPolarHBondContact O-CB 2.96Å; V337-R341 WeakPolarHBondContact O-CG 3.2Å; V337-R341 PolarHBondContact O-N 3.5Å; I338-R341 PolarHBondContact O-N 2.8Å; L339-R341 VanDerWaalsContact C-N 3.35Å; L339-R341 PolarHBondContact O-N 2.86Å; R341-Q344 PolarHBondContact O-N 2.93Å; R341-T345 WeakPolarHBondContact O-CG2 3.47Å; R341-T345 PolarHBondContact O-N 3.35Å
342M67.6Low65.1Low123 Ų123123.3 Ų123.361%0.60662%0.623SS**Hα-helixtrans-64.4-37173.4-70.3-18068.200112.6I338 L339 T345I338-M342 HydrophobicContact CG2-SD 4.37Å; I338-M342 WeakPolarHBondContact O-CG 3.04Å; I338-M342 PolarHBondContact O-N 3.05Å; L339-M342 PolarHBondContact O-N 3.33Å; M342-T345 PolarHBondContact O-OG1 3.02Å
343F63.7Low63.4Low156 Ų156123.5 Ų123.568%0.68463%0.631SS**Hα-helixtrans-73-39.7175.5-117.9-98000112.4L339 A340 T345 K346L339-F343 PolarHBondContact O-N 3.46Å; A340-F343 PolarHBondContact O-N 3.33Å; F343-T345 VanDerWaalsContact C-N 3.28Å; F343-T345 PolarHBondContact O-N 2.91Å; F343-K346 PolarHBondContact O-N 2.02Å
344Q59Low61Low136 Ų136131.7 Ų131.764%0.63665%0.652SS**Hα-helixtrans-66.3-25.5179.1-72.7-83.5-2900113A340 R341 K346A340-Q344 VanDerWaalsContact O-CB 3.23Å; A340-Q344 WeakPolarHBondContact O-CB 3.23Å; A340-Q344 WeakPolarHBondContact O-CG 3.38Å; A340-Q344 PolarHBondContact O-N 3.48Å; R341-Q344 PolarHBondContact O-N 2.93Å; Q344-K346 VanDerWaalsContact C-N 3.28Å; Q344-K346 PolarHBondContact O-N 3.25Å
345T55.7Low58.5Low113 Ų113130.1 Ų130.169%0.69366%0.66SS**THydrogen-bonded Turntrans-74.6-14.7172.155.30000113.6R341 M342 F343R341-T345 WeakPolarHBondContact O-CG2 3.47Å; R341-T345 PolarHBondContact O-N 3.35Å; M342-T345 PolarHBondContact O-OG1 3.02Å; F343-T345 VanDerWaalsContact C-N 3.28Å; F343-T345 PolarHBondContact O-N 2.91Å
346K54.5Low56.4Low175 Ų175132 Ų13276%0.76168%0.678SS**THydrogen-bonded Turntrans-95.7-14.7-179.5-84.5-76-178.2174.30115.5F343 Q344F343-K346 PolarHBondContact O-N 2.02Å; Q344-K346 VanDerWaalsContact C-N 3.28Å; Q344-K346 PolarHBondContact O-N 3.25Å
347F52.6Low54.7Low166 Ų166133.3 Ų133.373%0.72869%0.693SS**SBendtrans-115.215.1-177.8-91.1-84.8000114.9A349F347-A349 PolarHBondContact O-N 3.18Å
348K45.3Very low52.2Low167 Ų167141 Ų14173%0.72671%0.713SS**  trans-82.246.5177.1-155.976.5176.6-174.80113.3
349A47.5Very low50Low76 Ų76141.5 Ų141.563%0.62873%0.726SS**SBendtrans-141.6135.7168.300000109.5F347F347-A349 PolarHBondContact O-N 3.18Å
350H38.9Very low47.8Very low192 Ų192142.6 Ų142.689%0.88974%0.741SS**  trans71.691.7-175.2-65.3-82.5000117.9
351F33.3Very low45.9Very low177 Ų177145.3 Ų145.378%0.77676%0.757SS**  trans-66.1171.9145.3-78.3-80.7000110.4
352P44.3Very low44.4Very low116 Ų116142 Ų14275%0.75376%0.763SS**  cis-145.4-147.432.648.8-25.4000114.5
353P46Very low42.9Very low111 Ų111143.4 Ų143.472%0.72177%0.773SS**  -136.5166.9-116.938.2-14.9000119.7
354R34.5Very low41.9Very low259 Ų259140.1 Ų140.198%0.97777%0.767SS**  trans67.3124.3149.6-116.3-178-178.3105.10.4121.1
355G31.6Very low41Very low68 Ų68141.2 Ų141.270%0.70178%0.777SS**  trans-162.1148.8160.100000110.9
356P41.6Very low40.8Very low128 Ų128142 Ų14283%0.83177%0.771SS**  trans-85.8169.8-169.836-36.7000113.9
357P46.8Very low40.8Very low129 Ų129138.1 Ų138.184%0.83876%0.762SS**  trans-81.1151.8-156.232.7-36.3000114.3
358R31.6Very low40.8Very low236 Ų236133.7 Ų133.789%0.89175%0.748SS**  trans-131.5126.6164.4-81.9-172.5168.5131.8-2.1111.8
359S34.6Very low40.9Very low116 Ų116130.9 Ų130.981%0.81175%0.745SS**  trans-16.2131.1153.451.50000118.6
360S32Very low41.3Very low111 Ų111135.1 Ų135.178%0.77676%0.757SS**  trans-149.5107.3143.453.50000105.9
361S34.2Very low42.1Very low110 Ų110129.1 Ų129.177%0.76975%0.747SS**  58.792.863.6-156.50000110.6
362S37.2Very low42.9Very low117 Ų117125.1 Ų125.182%0.81874%0.737SS**  trans-102.6113.7168.549.70000108.3
363D36.2Very low43.1Very low153 Ų153123.9 Ų123.982%0.81873%0.729SS**PPolyproline II helixtrans-68.4143.9173.3-72.1-50.5000111.3
364P43.1Very low43.4Very low87 Ų87123 Ų12357%0.56572%0.722SS**PPolyproline II helixtrans-92.4152168.335.2-32000112.8M375P364-M375 HydrophobicContact CG-CE 4.23Å
365D40.7Very low44.3Very low158 Ų158117.1 Ų117.185%0.84571%0.707SS**PPolyproline II helixtrans-66152.9179.2-69-59.4000114
366F51Low45.3Very low131 Ų131120.4 Ų120.458%0.57571%0.707SS**  trans-133.6155.1172.166.7-88.7000111.5V368 P373F366-V368 HydrophobicContact CD2-CG2 3.92Å; F366-V368 HydrophobicContact CE2-CG2 3.88Å; F366-P373 HydrophobicContact CD2-CB 4.34Å
367V53.8Low45.7Very low93 Ų93119 Ų11956%0.56470%0.699SS**EExtended strand (participates in β ladder)trans-124.2142.2172178.60000108.8V374V367-V374 PolarHBondContact O-N 3.44Å
368V52.7Low46.2Very low73 Ų73117.8 Ų117.844%0.44269%0.689SS.*EExtended strand (participates in β ladder)trans-110.4128.5179.5-178.30000109F366 P373F366-V368 HydrophobicContact CD2-CG2 3.92Å; F366-V368 HydrophobicContact CE2-CG2 3.88Å; V368-P373 HydrophobicContact CG2-CB 4.29Å
369V48Very low47.1Very low108 Ų108115.7 Ų115.766%0.65568%0.682SS**EExtended strand (participates in β ladder)trans-128132.1167.5-173.80000107.1G371 V372V369-G371 VanDerWaalsContact C-N 3.26Å; V369-G371 PolarHBondContact O-N 3.48Å; V369-G371 VanDerWaalsContact O-N 3.15Å; V369-V372 PolarHBondContact O-N 2.83Å
370D54.5Low47.9Very low164 Ų164116 Ų11688%0.87768%0.675SS**THydrogen-bonded Turntrans45.443.1-176.2-64.6-25.1000115.7V372D370-V372 VanDerWaalsContact C-N 3.35Å; D370-V372 PolarHBondContact O-N 3Å
371G55.7Low49Very low67 Ų67118.1 Ų118.169%0.69167%0.672SS**THydrogen-bonded Turntrans821.4166.100000116.3V369V369-G371 VanDerWaalsContact C-N 3.26Å; V369-G371 PolarHBondContact O-N 3.48Å; V369-G371 VanDerWaalsContact O-N 3.15Å
372V50.4Low49.9Very low93 Ų93117.2 Ų117.256%0.56467%0.671SS**EExtended strand (participates in β ladder)trans-112.3126.4175.5-174.90000109.8V369 D370V369-V372 PolarHBondContact O-N 2.83Å; D370-V372 VanDerWaalsContact C-N 3.35Å; D370-V372 PolarHBondContact O-N 3Å
373P48Very low50.4Low89 Ų89116.6 Ų116.658%0.57866%0.663SS**EExtended strand (participates in β ladder)trans-75.9127.517430.3-32.3000110.3F366 V368F366-P373 HydrophobicContact CD2-CB 4.34Å; V368-P373 HydrophobicContact CG2-CB 4.29Å
374V53.9Low51Low94 Ų94114.3 Ų114.357%0.5766%0.658SS**EExtended strand (participates in β ladder)trans-117.5129.2175.7-1770000108.7V367V367-V374 PolarHBondContact O-N 3.44Å
375M53.8Low50.8Low135 Ų135114.1 Ų114.167%0.66567%0.673SS**PPolyproline II helixtrans-82.9136.7172.9-73.2-167.314900110.3P364P364-M375 HydrophobicContact CG-CE 4.23Å
376L51.5Low50.6Low136 Ų136109.8 Ų109.871%0.71267%0.665SS**PPolyproline II helixtrans-83.2135174.3-66.1171.2000109.6
377P50.5Low49.9Very low100 Ų100109.1 Ų109.165%0.64968%0.677SS**PPolyproline II helixtrans-68.3147.1176.428.6-34.2000111.2
378T57.9Low49.1Very low102 Ų102110.4 Ų110.463%0.62669%0.69SS**PPolyproline II helixtrans-77.8154.3175.142.80000111.7D380 E381T378-D380 PolarHBondContact O-N 3.02Å; T378-E381 PolarHBondContact O-N 3.49Å; T378-E381 VanDerWaalsContact O-N 3.15Å
379Y50.4Low48.1Very low193 Ų193111.7 Ų111.776%0.75771%0.708SS**G310 helixtrans-51-31.6-171.2179-104.7000115.4E381Y379-E381 PolarHBondContact O-N 3.15Å
380D51Low47.5Very low123 Ų123115 Ų11566%0.65872%0.721SS**G310 helixtrans-74-21.2-176.6-66.3-60.5000114.7T378T378-D380 PolarHBondContact O-N 3.02Å
381E54.3Low46.7Very low154 Ų154110.5 Ų110.572%0.7271%0.714SS**G310 helixtrans-82.8-12.4177.8-72.9-169.2141.100113.7T378 Y379T378-E381 PolarHBondContact O-N 3.49Å; T378-E381 VanDerWaalsContact O-N 3.15Å; Y379-E381 PolarHBondContact O-N 3.15Å
382A52.7Low45.8Very low91 Ų91113.8 Ų113.875%0.75272%0.723SS**G310 helixtrans-86.9-6.6176.700000114
383V47.8Very low44.8Very low105 Ų105112.3 Ų112.364%0.63673%0.727SS**THydrogen-bonded Turntrans-120.2-11.8-169.2178.60000113.4
384S49.6Very low44Very low104 Ų104118.9 Ų118.973%0.72774%0.742SS**  trans-129.792-175.3-60.20000113
385G39.4Very low42.9Very low84 Ų84121.6 Ų121.687%0.86675%0.752SS**  trans-171.143.9-17700000115.9
386G35.3Very low41.7Very low67 Ų67119.2 Ų119.269%0.69175%0.754SS**  trans-83.5144.6-179.100000115.2
387S37.8Very low40.7Very low117 Ų117117.9 Ų117.982%0.81876%0.756SS**  trans76.3127.215438.60000122.4
388S35.3Very low39.7Very low119 Ų119120 Ų12083%0.83277%0.767SS**  trans70.1114.8146.7580000121.9
389A32.6Very low38.4Very low100 Ų100117.9 Ų117.983%0.82677%0.765SS**  -162.2137.6128.300000111.2
390L34.7Very low37.4Very low177 Ų177118.3 Ų118.393%0.92777%0.774SS**  trans-76.2149.6162.2-84.483.9000109.7
391G38.8Very low36.3Very low71 Ų71115.6 Ų115.673%0.73278%0.775SS**  trans-87.4171.9176.800000114.5
392P37.2Very low35.2Very low135 Ų135113.7 Ų113.788%0.87778%0.778SS**  trans-105.9158.4166.237.4-29000112.5
393G28.3Very low34.8Very low62 Ų62114.8 Ų114.864%0.63978%0.777SS**  trans-118-172.5173.500000113.8
394Y30.8Very low34.2Very low228 Ų228116.7 Ų116.789%0.89478%0.783SS**  trans72.3140.8176.5-58.3-71000115.4
395L30.4Very low33.8Very low151 Ų151116.5 Ų116.579%0.79178%0.779SS**  cis-158149.78.9-119164.5000110.9
396A29.1Very low33.3Very low84 Ų84118.3 Ų118.369%0.69477%0.773SS**  trans35.2150.8143.700000122.3
397S30.8Very low33.1Very low109 Ų109122.3 Ų122.376%0.76278%0.779SS**  cis-169.7178.414.2-1370000113.1
398V30.2Very low32.8Very low144 Ų144123.2 Ų123.287%0.87378%0.775SS**  trans72.8124.1170.2-1600000116.3
399G29.7Very low32.5Very low58 Ų58126.6 Ų126.660%0.59878%0.777SS**  cis148.1126.5-1000000113.2
400Q30.2Very low32.5Very low201 Ų201127 Ų12794%0.93977%0.774SS**  trans-159.1138.5155-149.780.51900107.5
401G27.4Very low33Very low67 Ų67124.5 Ų124.569%0.69177%0.768SS**  trans-91.2150.8-157.700000118
402C31.2Very low33.1Very low113 Ų113126.9 Ų126.976%0.76477%0.771SS**  37158.3122.1-61.20000121.9
403P45Very low32.8Very low115 Ų115125.2 Ų125.275%0.74777%0.769SS**  cis-109.6145.73.26.718.1000113.2
404L34.5Very low33Very low145 Ų145133 Ų13376%0.75978%0.781SS**  63.5148.374.3-62.9175000114.8
405P40.2Very low33.7Very low100 Ų100127.9 Ų127.965%0.64978%0.775SS**  cis-133.4156.4-34.337.9-20.9000112.5
406V30.7Very low33.6Very low122 Ų122124.5 Ų124.574%0.73978%0.776SS**  49.3121.197.8-162.90000111.8
407D30.7Very low33.9Very low151 Ų151126.7 Ų126.781%0.80779%0.786SS**  -143.2159.453.7-1518.5000117.5
408D30.7Very low34Very low136 Ų136125.1 Ų125.173%0.72779%0.788SS**  trans-95.2137.7-176.4-166.20.8000110.5
409Q29.3Very low34.1Very low189 Ų189125.4 Ų125.488%0.88378%0.784SS**  trans-113.5134.4169.8-85.1-171.951.500109.5
410S33.7Very low34.4Very low110 Ų110128.7 Ų128.777%0.76979%0.793SS**  trans-157144.3162.3-82.30000111
411P43.8Very low34.5Very low123 Ų123125.7 Ų125.780%0.79978%0.783SS**  cis-128.2179.7-21.437.8-19.7000111.9
412P41.1Very low34.8Very low121 Ų121128.7 Ų128.779%0.78679%0.788SS**  trans-95.2160.7-155.236.6-36.6000116.4
413A30.4Very low34.8Very low101 Ų101126.6 Ų126.684%0.83579%0.786SS**  trans-106.2149.6158.100000110.5
414Y32.7Very low34.7Very low226 Ų226127.8 Ų127.889%0.88679%0.794SS**  trans-83.2164.2-177.9-106.8-111.5000112.9
415P45.9Very low34.5Very low120 Ų120124.2 Ų124.278%0.77979%0.792SS**  trans-97.8162.1-147.837.7-37.3000116.1
416G28.4Very low34Very low79 Ų79129.1 Ų129.181%0.81481%0.806SS**  trans-138.9143.8162.900000110.1
417S36.2Very low34Very low130 Ų130128.3 Ų128.391%0.90981%0.806SS**  trans-87.4155.2-165.652.50000115.9
418G31.9Very low33.9Very low76 Ų76129.2 Ų129.278%0.78481%0.805SS**  trans157.4114.6157.100000114.5
419D32.6Very low33.9Very low150 Ų150128.7 Ų128.780%0.80281%0.807SS**  trans-82.5153.8-177.9-64.2-73.4000114.6
420T35.7Very low33.8Very low127 Ų127124.9 Ų124.978%0.77980%0.8SS**  trans49.6138.5149.352.30000119.9
421D31.6Very low33.5Very low138 Ų138127.5 Ų127.574%0.73881%0.806SS**  cis-163.7151.645.9-147.4-13.5000114.8
422T34.2Very low32.9Very low130 Ų130126.5 Ų126.580%0.79880%0.802SS**  trans26.4130.4150.3-600000123.7
423G31.1Very low32.3Very low69 Ų69127.7 Ų127.771%0.71181%0.807SS**  trans134.8119.1140.900000117.5
424P43.6Very low32.3Very low140 Ų140128.8 Ų128.891%0.90981%0.808SS**  trans-99.7155.2-175.738-34000114.6
425G29.6Very low32Very low70 Ų70121.7 Ų121.772%0.72280%0.804SS**  trans-172.288.3175.400000115.9
426E30.5Very low31.3Very low204 Ų204121.2 Ų121.295%0.95380%0.803SS**  trans63.5160.1144.2-59.2-175152.900121.6
427S29.7Very low31.5Very low104 Ų104122 Ų12273%0.72780%0.796SS**  trans-93.6154.6-169.949.20000113
428E30Very low31.3Very low170 Ų170123.4 Ų123.479%0.79479%0.789SS**  -176.6138107.2-99-175.6173.600114.9
429T29Very low31.3Very low125 Ų125125.9 Ų125.977%0.76778%0.783SS**  trans54122.9137.3-40.30000121.6
430C27.9Very low31.2Very low110 Ų110126.7 Ų126.774%0.74379%0.787SS**  trans-62.2155.5167.5-47.20000112.8
431D28.2Very low30.9Very low165 Ų165128.3 Ų128.388%0.88279%0.785SS**  -141.9144.5129.7-136-20.5000112.2
432S30.9Very low30.8Very low102 Ų102126.7 Ų126.771%0.71379%0.785SS**  trans-111.8131.4-177-65.30000110
433T28.8Very low30.5Very low146 Ų146126.5 Ų126.590%0.89678%0.778SS**  trans-139.3109.9158.712.20000110.5
434S29.8Very low30.4Very low123 Ų123133.5 Ų133.586%0.8679%0.785SS**  trans-79.8148.5166.364.10000110.1
435G27Very low29.6Very low77 Ų77132.3 Ų132.379%0.79478%0.78SS**  trans-156.882.2178.800000111.6
436S30.4Very low29.8Very low111 Ų111133.1 Ų133.178%0.77678%0.779SS**  trans-61164.2159.9-36.30000109.4
437S31.8Very low30.5Very low95 Ų95129.5 Ų129.566%0.66477%0.774SS**  cis-172.7169.616.8-139.40000110.4
438E33.2Very low30.5Very low160 Ų160132.9 Ų132.975%0.74878%0.78SS**  trans66.4117.8150.9-53.7-87123.200119
439L31.8Very low30.4Very low128 Ų128130 Ų13067%0.6778%0.777SS**  82.6106.272.8-109.5162.9000116
440L29.2Very low30.4Very low167 Ų167133.1 Ų133.187%0.87478%0.783SS**  179.6166.1121.7-103160.8000114.6
441Q31.3Very low30.4Very low161 Ų161131.8 Ų131.875%0.75279%0.788SS**  trans-113.6162.8-157-146.195.84.300114.4
442S29.3Very low30.4Very low103 Ų103127.3 Ų127.372%0.7278%0.781SS**  trans74.8150.8157.578.60000116.8
443L27.6Very low30.3Very low127 Ų127130.6 Ų130.667%0.66579%0.79SS**  cis-144.7150.721.8-69.9155.3000111.5
444Y28.3Very low30.4Very low215 Ų215132.6 Ų132.684%0.84379%0.789SS**  161.9151.9112.5-92.5-69.5000113.8
445S27.1Very low31.3Very low115 Ų115132.7 Ų132.780%0.80479%0.787SS**  trans-98.2159.6-163.8-48.30000114.6
446A34Very low31.5Very low87 Ų87133.3 Ų133.372%0.71978%0.784SS**  trans-69.9177.1167.300000112.9
447P44.3Very low33Very low129 Ų129133.1 Ų133.184%0.83878%0.78SS**  -145.6163.89837.8-22.5000116.7
448M30.2Very low32.8Very low175 Ų175135.8 Ų135.886%0.86279%0.787SS**  trans-87.7164.3165-58.4173.577.700111.6
449C27.4Very low33Very low108 Ų108134.4 Ų134.473%0.7379%0.79SS**  171.8137.4117.7-95.40000115.7
450Q30.3Very low34Very low192 Ų192133.6 Ų133.690%0.89779%0.792SS**  trans60.8156.4146.5-61.1170.9-13.200119
451G28.1Very low34Very low81 Ų81135.1 Ų135.184%0.83580%0.795SS**  cis141.51390.200000110.3
452G27.9Very low34Very low71 Ų71133.4 Ų133.473%0.73280%0.796SS**  cis-177.4-136.53.200000111.4
453N27.7Very low34.1Very low172 Ų172136.8 Ų136.892%0.9280%0.804SS**  trans96.8130.7167.4-62.6-1.5000121.4
454H32.3Very low34.3Very low188 Ų188134.6 Ų134.687%0.8780%0.804SS**  trans-95.8174.9168-87.6-60.2000110.3
455P47.3Very low34.5Very low125 Ų125129.9 Ų129.981%0.81280%0.803SS**  cis-145.2-173.335.140.7-17.3000118.5
456A33Very low34.8Very low89 Ų89130.9 Ų130.974%0.73680%0.804SS**  trans-95.8-162.1178.500000111.7
457P61.3Low34.8Very low107 Ų107131.3 Ų131.370%0.69581%0.808SS**  cis-131.4-177.7-14.640.8-23.3000113.9
458D28.3Very low34.2Very low152 Ų152134.7 Ų134.781%0.81381%0.812SS**  175.4176.7128.2-94.5-18.4000113.1
459T35.8Very low34.5Very low130 Ų130135.4 Ų135.480%0.79881%0.814SS**  trans-115.2-152.5-143.358.20000115.3
460P53.6Low34.8Very low112 Ų112137.5 Ų137.573%0.72782%0.823SS**  -111.5170.3-127.138.8-21.4000114.5
461E29.2Very low34.9Very low198 Ų198133.1 Ų133.193%0.92582%0.819SS**  trans-157.1160.9149.6-124.7167.3-143.300114.2
462T31.3Very low35.1Very low126 Ų126134.8 Ų134.877%0.77382%0.818SS**  trans-122.1140.3-176.9-57.90000108.6
463I31.6Very low35.4Very low173 Ų173136.8 Ų136.889%0.88782%0.821SS**  trans-174.2157.8147.5-97.4148.6000109.7
464A32Very low35.7Very low81 Ų81133.9 Ų133.967%0.66981%0.814SS**  trans-108.5170.4-16200000115.7
465S32.6Very low36.5Very low116 Ų116131.1 Ų131.181%0.81181%0.813SS**  trans70148.7167.476.60000115.8
466T32.1Very low35.8Very low136 Ų136128.9 Ų128.983%0.83481%0.812SS**  cis-135.2178.820.944.60000113.8
467A34.5Very low36.4Very low97 Ų97132.1 Ų132.180%0.80282%0.816SS**  trans-79.7160.2-172.500000116
468E32.1Very low35Very low199 Ų199134.1 Ų134.193%0.9382%0.821SS**  trans-156.6152.5137.4-119.2173.3-168.200110.9
469E36.2Very low35.7Very low190 Ų190134.1 Ų134.189%0.88882%0.819SS**  trans-92.9142.8-173.1-57.4-174.7142.500113.2
470V34.1Very low35.9Very low153 Ų153131.4 Ų131.493%0.92781%0.81SS**  trans-143.1147.2151.2-174.80000110
471A32.8Very low35.4Very low99 Ų99133.5 Ų133.582%0.81882%0.815SS**  trans-81.1168.2-161.500000117.6
472S32.3Very low35.8Very low116 Ų116133 Ų13381%0.81181%0.813SS**  trans-77.8152179.3175.30000114.6
473S34.4Very low36.3Very low113 Ų113133.5 Ų133.579%0.7981%0.809SS**  trans-153.6124.6144.365.50000112
474S33.8Very low36.8Very low111 Ų111131.3 Ų131.378%0.77681%0.806SS**  trans-148134.1161.5-73.70000108.2
475P48.2Very low37Very low130 Ų130134.9 Ų134.984%0.84481%0.813SS**  trans-86.7123.3-171.732.4-32.5000112
476G33.5Very low37.5Very low78 Ų78138.4 Ų138.480%0.80482%0.819SS**  trans-94.3137.515700000109.5
477I44.4Very low38Very low157 Ų157141.2 Ų141.281%0.80582%0.823SS**  trans-108129.9172.3-75168.3000107.8I479I477-I479 HydrophobicContact CG2-CD1 4.5Å; I477-I479 HydrophobicContact CG2-CG1 4.27Å
478D32.3Very low38.6Very low150 Ų150146 Ų14680%0.80283%0.829SS**  trans-114.9128.7179.1-175.914.4000108.3
479I43.8Very low39.3Very low152 Ų152143.9 Ų143.978%0.77982%0.824SS**  trans-145.7106.6169.9-56.8-179000107I477I477-I479 HydrophobicContact CG2-CD1 4.5Å; I477-I479 HydrophobicContact CG2-CG1 4.27Å
480A38.8Very low40.3Very low73 Ų73144 Ų14460%0.60384%0.841SS**  trans-89.4147.7155.400000109
481D42.7Very low40.7Very low156 Ų156143.5 Ų143.583%0.83484%0.836SS**  trans-173.6117.2132.9-94-18.4000112.1
482E37.8Very low41.1Very low188 Ų188145.8 Ų145.888%0.87984%0.837SS**  trans45.6163.6146-57.2-148.7137.400124.9
483I43.3Very low41.6Very low135 Ų135147.5 Ų147.569%0.69284%0.839SS**  trans-121.3166.7-160.7-52.6158.8000108.5L485I483-L485 HydrophobicContact CG2-CG 4.2Å
484P40.2Very low42Very low128 Ų128149.5 Ų149.583%0.83184%0.841SS**  -135.4134.6122.621.9-4000114
485L37.2Very low42.5Very low156 Ų156151.9 Ų151.982%0.81785%0.845SS**PPolyproline II helixtrans-80.9143.6166.6-69.5160.9000108.2I483I483-L485 HydrophobicContact CG2-CG 4.2Å
486M43.8Very low42.1Very low189 Ų189153.4 Ų153.493%0.93185%0.846SS**PPolyproline II helixtrans-87.4135.5168.5-64.6-152.9-49.600110.5
487E41.3Very low42.7Very low195 Ų195158.8 Ų158.891%0.91185%0.849SS**PPolyproline II helixtrans-80.3135.7170.4-64.3168130.700109.7
488E47Very low42.6Very low198 Ų198158.9 Ų158.993%0.92585%0.852SS**PPolyproline II helixtrans-102.4131.9161.4-78.6-171.8118.100108.8
489D46.8Very low43.5Very low155 Ų155159.7 Ų159.783%0.82986%0.856SS**  trans-161.1145.3176.3-123.7-9.4000107.6
490P58.9Low43.4Very low191 Ų191160.4 Ų160.4100%1.2486%0.863SS**  cis-123.10-29.639.2-26.5000114.3

Retrieved 490 of 490 residues in 67 ms (Link to these results)