A0A087WTV1_HUMAN Loading...

Oxysterol binding protein like 2

AlphaFold DB , UniProt , Accession A0A087WTV1, Species HUMAN (Homo sapiens, Human), Gene OSBPL2, Length 180 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
1M37.9Very low42.5Very low242 Ų242156.5 Ų156.5100%1.19283%0.829SS**  0103.90-77.8-176.2170.300105.7
2N39.1Very low43Very low155 Ų155154.1 Ų154.183%0.82983%0.826SS**  trans-70.9125.3178.2-67.5-2.6000108.1
3G42.3Very low42.2Very low70 Ų70146.5 Ų146.572%0.72281%0.806SS**  trans-119.786.4166.300000107.1E5G3-E5 PolarHBondContact O-N 2.88Å
4E42.8Very low41.8Very low165 Ų165149.9 Ų149.977%0.77181%0.809SS**  trans-69.3107.6167.1-67175.4-177.200106.7E6E4-E6 VanDerWaalsContact C-N 3.31Å; E4-E6 PolarHBondContact O-N 2.98Å; E4-E6 VanDerWaalsContact O-N 3.13Å
5E49.2Very low41.2Very low174 Ų174150.1 Ų150.181%0.81381%0.81SS**  trans-78.288.1166.8-71.3-171.5177.600107.8G3 F7G3-E5 PolarHBondContact O-N 2.88Å; E5-F7 PolarHBondContact O-N 3.37Å
6E42.8Very low41.2Very low168 Ų168147.8 Ų147.879%0.78581%0.809SS**  trans-59.1111.2163.9-92.8-179.1153.100109E4E4-E6 VanDerWaalsContact C-N 3.31Å; E4-E6 PolarHBondContact O-N 2.98Å; E4-E6 VanDerWaalsContact O-N 3.13Å
7F40.7Very low40.6Very low187 Ų187148.8 Ų148.882%0.8281%0.813SS**PPolyproline II helixtrans-103122.8168.4-121.1-94.5000109.1E5 D9E5-F7 PolarHBondContact O-N 3.37Å; F7-D9 PolarHBondContact O-N 3.49Å
8F40.3Very low40.4Very low184 Ų184149.9 Ų149.981%0.80782%0.818SS**PPolyproline II helixtrans-69.1117177.3-87.9-100.1000110.2
9D50.8Low40Very low152 Ų152148.4 Ų148.481%0.81382%0.819SS**PPolyproline II helixtrans-57.4141.4159.3-89-27.7000109.5F7 V11F7-D9 PolarHBondContact O-N 3.49Å; D9-V11 PolarHBondContact O-N 3.07Å
10A40.6Very low39.9Very low96 Ų96147.2 Ų147.279%0.79382%0.822SS**  trans-62.1112.117400000109.1T12A10-T12 PolarHBondContact O-N 3.13Å
11V40.8Very low39.5Very low128 Ų128143.8 Ų143.878%0.77682%0.82SS**  trans-53.8110.2175.3178.10000109D9 G13D9-V11 PolarHBondContact O-N 3.07Å; V11-G13 PolarHBondContact O-N 2.85Å
12T48.6Very low39.3Very low128 Ų128141 Ų14179%0.78580%0.804SS**  trans-72.879.1164.554.20000107.7A10 F14A10-T12 PolarHBondContact O-N 3.13Å; T12-F14 VanDerWaalsContact C-N 3.28Å; T12-F14 PolarHBondContact O-N 3.42Å
13G32.9Very low38.8Very low55 Ų55143.7 Ų143.757%0.56781%0.808SS**  trans-7084.6175.200000110.3V11V11-G13 PolarHBondContact O-N 2.85Å
14F36.7Very low38.2Very low195 Ų195145.8 Ų145.886%0.85581%0.812SS**  trans-91.170.8148-76.1-72.3000107.3T12 S16T12-F14 VanDerWaalsContact C-N 3.28Å; T12-F14 PolarHBondContact O-N 3.42Å; F14-S16 PolarHBondContact O-N 3.28Å
15D32.4Very low37.6Very low153 Ų153147 Ų14782%0.81882%0.818SS**  trans-84.1109.6162-79.6-34000108
16S41.9Very low36.7Very low113 Ų113143.6 Ų143.679%0.7982%0.819SS**  trans-46.6125.8167.2-23.70000111.3F14F14-S16 PolarHBondContact O-N 3.28Å
17D30.8Very low36Very low164 Ų164142.7 Ų142.788%0.87782%0.82SS**  trans-139.5128.6152.4-98.1-27.8000110.2
18N37.4Very low35.6Very low170 Ų170142.6 Ų142.691%0.90982%0.821SS**  trans-56.3130.7-177.7-76.9-39.7000112.7
19S32Very low35.2Very low121 Ų121143.1 Ų143.185%0.84682%0.823SS**  trans-146.4117.7148.4-170.40000110.4
20S38.9Very low34.2Very low124 Ų124142.4 Ų142.487%0.86783%0.825SS**  trans-67.1128.8178.949.40000112.2
21G30.1Very low33.5Very low75 Ų75144.3 Ų144.377%0.77383%0.827SS**  trans-157.189.6166.200000110.1
22E34.5Very low32.8Very low184 Ų184141.3 Ų141.386%0.8682%0.821SS**  trans-58.4135.2168.3-69.1175.9139.200110.5
23F27.6Very low31.8Very low212 Ų212144 Ų14493%0.9383%0.827SS**  trans-156.694.5141.8-105.1-75000110.6
24S30.2Very low31.9Very low113 Ų113149.1 Ų149.179%0.7984%0.84SS**  trans10.5123.2153.1-48.80000121.6
25E30.1Very low31.5Very low192 Ų192147.7 Ų147.790%0.89784%0.841SS**  trans-63.1138.3154.7-70.6178137.700111.7
26A30Very low31.5Very low101 Ų101147.2 Ų147.284%0.83584%0.838SS**  trans-127.410016400000110.1
27N29.9Very low30.9Very low150 Ų150149.9 Ų149.980%0.80284%0.843SS**  trans-67128.5161.8-104.7-49.2000110
28Q31.4Very low31.1Very low184 Ų184147.5 Ų147.586%0.8684%0.835SS**  trans-130.2106.1155.7-84.7-174.1-000110.5
29K32.8Very low30.8Very low195 Ų195143.8 Ų143.885%0.84882%0.822SS**  trans-76.2130.3156.5-81.3176.1172.7175.40108.5
30V27.9Very low30.8Very low138 Ų138147.1 Ų147.184%0.83682%0.821SS**  trans-133.2131.3153.9175.10000109.2
31T26.2Very low30.7Very low136 Ų136148.3 Ų148.383%0.83482%0.818SS**  trans-85.2144.2-174.5-61.90000111.9
32G27.3Very low30.8Very low65 Ų65152 Ų15267%0.6782%0.82SS**  trans94.3111.3140.800000118.1
33M27.3Very low31.2Very low184 Ų184154.7 Ų154.791%0.90682%0.822SS**  -173.6125.3105.6-98.6173.277.100110.3
34I34.3Very low31.6Very low162 Ų162151.8 Ų151.883%0.83182%0.815SS**  trans-62.5131.9161.834.3166.8000109.2
35D28.8Very low32.4Very low165 Ų165150 Ų15088%0.88282%0.815SS**  trans-140.4118.8148.2-125.5-12.6000109.8
36L32.8Very low32.9Very low144 Ų144150.2 Ų150.275%0.75481%0.813SS**  trans-97.2116.1179173.875.2000106
37D29.6Very low33.5Very low168 Ų168152.2 Ų152.290%0.89882%0.815SS**  trans-127.6109163.2-124.2-13.5000111.6
38T33.4Very low34.4Very low114 Ų114148.5 Ų148.570%0.69981%0.812SS**  trans-95.3108.8173.2-67.80000108
39S32.8Very low35.3Very low92 Ų92148.8 Ų148.864%0.64381%0.813SS**  trans-169.8128.2145.1-115.30000115.4
40K32.1Very low36.5Very low191 Ų191150.4 Ų150.483%0.8381%0.814SS**  trans81.1100.4136.3-68.4169.3-176179.20118.6
41N36.1Very low37.9Very low149 Ų149148.9 Ų148.980%0.79781%0.807SS**  trans-16.2127.2140.5-84.9-20.9000114.9
42N31.6Very low39.4Very low154 Ų154146.8 Ų146.882%0.82480%0.798SS**  trans-145.7110.7135.9-113.9-10.3000110.1I44N42-I44 PolarHBondContact O-N 3.16Å
43R43.4Very low41Very low239 Ų239145 Ų14590%0.90277%0.772SS**  trans-68115.5170.7-71.6176.6173.8178.7-3.7108.5
44I36.5Very low42.7Very low151 Ų151142.9 Ų142.977%0.77476%0.76SS**  trans-130.5115159.6-66.8174.8000106.3N42N42-I44 PolarHBondContact O-N 3.16Å
45G45.8Very low44.2Very low76 Ų76138.4 Ų138.478%0.78474%0.738SS**  trans-60.7134.5-172.900000112.8
46K40.3Very low46.2Very low197 Ų197133.1 Ų133.186%0.85772%0.722SS**  trans-110.3109.5158.2-85.1-175173.3178.70108.5G48K46-G48 PolarHBondContact O-N 3.22Å
47T44Very low48.2Very low143 Ų143129.4 Ų129.488%0.87770%0.703SS**  trans-15.6117.1153.910.80000115.3
48G47.8Very low50.4Low72 Ų72130.3 Ų130.374%0.74270%0.701SS**  trans55.372.6147.300000116.7K46 R50K46-G48 PolarHBondContact O-N 3.22Å; G48-R50 PolarHBondContact O-N 3.2Å
49E49.9Very low52.9Low189 Ų189133.5 Ų133.588%0.88371%0.706SS**  trans-59.4103.9158.1-70.1-179.1165.500107.9
50R59.6Low55.6Low229 Ų229133.3 Ų133.386%0.86469%0.694SS**PPolyproline II helixtrans-57132.8160.7-74.9179.7177.5169.2-1.6105.8G48 S52G48-R50 PolarHBondContact O-N 3.2Å; R50-S52 PolarHBondContact O-N 2.92Å; R50-S52 VanDerWaalsContact O-N 3.07Å
51P56.8Low58.5Low107 Ų107133 Ų13370%0.69569%0.688SS**PPolyproline II helixtrans-52.2126.1175.322.2-30.9000107.5Q53P51-Q53 PolarHBondContact O-N 3.43Å
52S56.4Low61.3Low92 Ų92132.5 Ų132.564%0.64369%0.69SS**PPolyproline II helixtrans-53.2125.6167.844.80000106.9R50R50-S52 PolarHBondContact O-N 2.92Å; R50-S52 VanDerWaalsContact O-N 3.07Å
53Q62.3Low64.3Low27 Ų27129.3 Ų129.313%0.12668%0.68CS.*PPolyproline II helixtrans-49.4144.8176.3-56.5-168.1-57.600108.8P51 N55 G56 I57P51-Q53 PolarHBondContact O-N 3.43Å; Q53-N55 WeakPolarHBondContact CB-OD1 3.41Å; Q53-N55 PolarHBondContact O-N 3.43Å; Q53-G56 PolarHBondContact O-N 3.11Å; Q53-I57 PolarHBondContact OE1-O 3.48Å
54E63.5Low66.6Low139 Ų139121.9 Ų121.965%0.6566%0.658SS**THydrogen-bonded Turntrans-52-24.3-175.8-74.3179.6155.700113.3R170E54-R170 IonicContact OE1-NH2 2.65Å; E54-R170 IonicContact OE2-CZ 2.74Å; E54-R170 IonicContact OE2-NH1 3.72Å; E54-R170 PolarHBondContact OE2-NH1 3.02Å; E54-R170 VanDerWaalsContact OE2-NH1 3.13Å; E54-R170 IonicContact OE2-NH2 3.97Å; E54-R170 PolarHBondContact OE2-NH2 3.17Å
55N65.7Low69.3Low69 Ų69121.2 Ų121.237%0.36966%0.663SS.*THydrogen-bonded Turntrans-94.28178.9482.6000114.8Q53 I57Q53-N55 WeakPolarHBondContact CB-OD1 3.41Å; Q53-N55 PolarHBondContact O-N 3.43Å; N55-I57 PolarHBondContact O-N 3.44Å
56G70.1Confident71.4Confident54 Ų54120.7 Ų120.756%0.55765%0.652SS**  trans726.1174.200000115.5Q53 Q58Q53-G56 PolarHBondContact O-N 3.11Å; G56-Q58 PolarHBondContact O-N 2.99Å
57I75.4Confident73.7Confident66 Ų66117 Ų11734%0.33865%0.648SS.*  trans-79.1119.2-179.4-58.5175.1000109.3Q53 N55Q53-I57 PolarHBondContact OE1-O 3.48Å; N55-I57 PolarHBondContact O-N 3.44Å
58Q74.9Confident75.5Confident186 Ų186115.7 Ų115.787%0.86963%0.633SS**SBendtrans-96.6-26.1176.2-63.3-174.610.500112.9G56G56-Q58 PolarHBondContact O-N 2.99Å
59K86.4Confident76.8Confident182 Ų182120 Ų12079%0.79163%0.631SS**SBendtrans-154.1130.2-178.7-171.3179.1179.8-177.70110.9
60H89.5Confident77.8Confident87 Ų87113.9 Ų113.940%0.40361%0.61SS.*  trans-73.4142.8174-60.4-70.6000111.6
61R93.1Very high78Confident186 Ų186107.2 Ų107.270%0.70259%0.585SS**  trans-65.3144.1173.669.2179-177.4-177.8-0.1110.8L64R61-L64 VanDerWaalsContact CZ-CD2 3.4Å
62T94.4Very high78.3Confident137 Ų137106.7 Ų106.784%0.8458%0.584SS**SBendtrans-109.9-5.7178.355.50000113.2
63S94.1Very high78.4Confident88 Ų88107.8 Ų107.862%0.61558%0.582SS**SBendtrans-149.1159.6177.757.90000110.8
64L92.4Very high78.4Confident83 Ų83111 Ų11144%0.43560%0.596SS.*  trans-87156.7169.5-61.8-179.7000110.2R61 A66 P100R61-L64 VanDerWaalsContact CZ-CD2 3.4Å; L64-A66 PolarHBondContact O-N 3.17Å; L64-P100 HydrophobicContact CD1-CG 3.94Å
65P92.9Very high78.5Confident136 Ų136107.1 Ų107.188%0.88358%0.584SS**SBendtrans-61.7-23.2179.8-24.234.6000114.6
66A90.1Very high78.5Confident66 Ų66107.7 Ų107.755%0.54559%0.59SS.*SBendtrans-140.6148.6-179.800000110.8L64L64-A66 PolarHBondContact O-N 3.17Å
67P87.6Confident78.4Confident119 Ų119113 Ų11377%0.77359%0.593SS**PPolyproline II helixtrans-68.6153.817230.3-34.4000111
68M82Confident78Confident116 Ų116113.1 Ų113.157%0.57160%0.597SS**PPolyproline II helixtrans-68141.9171.1-170.8177.1-66.800109.8
69F76.1Confident77.7Confident161 Ų161105.9 Ų105.971%0.70656%0.564SS**PPolyproline II helixtrans-60.5143.3172.8-56.4-75.9000110.5R71F69-R71 PolarHBondContact O-N 3.4Å
70S70.9Confident76.7Confident61 Ų61101 Ų10143%0.42755%0.546SS..PPolyproline II helixtrans-69.9131.5174.4-176.10000109.3S72 D73S70-S72 WeakPolarHBondContact CB-OG 3.36Å; S70-S72 PolarHBondContact O-N 3.38Å; S70-S72 PolarHBondContact OG-N 3.19Å; S70-S72 PolarHBondContact OG-OG 2.88Å; S70-D73 WeakPolarHBondContact CB-OD2 3.3Å; S70-D73 VanDerWaalsContact O-CB 3.27Å; S70-D73 WeakPolarHBondContact O-CB 3.21Å; S70-D73 PolarHBondContact O-N 3Å
71R63.9Low75.8Confident90 Ų90102.7 Ų102.734%0.3455%0.552SS.*G310 helixtrans-64.8-19177.8-64.6-174.4-176.8-147.2-0.7112.7F69 D73 T148F69-R71 PolarHBondContact O-N 3.4Å; R71-D73 PolarHBondContact O-N 3.24Å; R71-T148 VanDerWaalsContact NH1-C 3.33Å; R71-T148 PolarHBondContact NH1-O 3.35Å; R71-T148 PolarHBondContact NH1-OG1 3.26Å; R71-T148 VanDerWaalsContact NH2-C 3.26Å; R71-T148 PolarHBondContact NH2-O 2.96Å; R71-T148 PolarHBondContact NH2-OG1 2.8Å
72S62.6Low74.5Confident96 Ų96101.7 Ų101.767%0.67155%0.553SS**G310 helixtrans-63.8-23.6170.156.30000113.1S70 F74S70-S72 WeakPolarHBondContact CB-OG 3.36Å; S70-S72 PolarHBondContact O-N 3.38Å; S70-S72 PolarHBondContact OG-N 3.19Å; S70-S72 PolarHBondContact OG-OG 2.88Å; S72-F74 VanDerWaalsContact C-N 3.28Å; S72-F74 PolarHBondContact O-N 3.22Å
73D58.5Low73Confident114 Ų11495.7 Ų95.761%0.6152%0.516SS*.G310 helixtrans-84.5-11.2-172.1-52.8-13.7000111.3S70 R71S70-D73 WeakPolarHBondContact CB-OD2 3.3Å; S70-D73 VanDerWaalsContact O-CB 3.27Å; S70-D73 WeakPolarHBondContact O-CB 3.21Å; S70-D73 PolarHBondContact O-N 3Å; R71-D73 PolarHBondContact O-N 3.24Å
74F61.7Low71.7Confident96 Ų9697.3 Ų97.342%0.42152%0.522SS..  trans-116.898.6-179.9-113.6-93.9000111.7S72 V76 I79 P94 F97S72-F74 VanDerWaalsContact C-N 3.28Å; S72-F74 PolarHBondContact O-N 3.22Å; F74-V76 PolarHBondContact O-N 3.32Å; F74-I79 HydrophobicContact CD1-CD1 3.6Å; F74-I79 HydrophobicContact CD1-CG1 4.27Å; F74-I79 HydrophobicContact CE1-CD1 3.67Å; F74-I79 HydrophobicContact CE1-CG1 4.02Å; F74-P94 HydrophobicContact CE1-CB 4.26Å; F74-P94 HydrophobicContact CE1-CG 4.35Å; F74-F97 HydrophobicContact CB-CZ 4.32Å
75S66.3Low70.4Confident56 Ų5697.3 Ų97.339%0.39254%0.542SS..  trans-81.9112170.6176.10000109.6W77 T78 I79S75-W77 PolarHBondContact O-N 3.22Å; S75-W77 VanDerWaalsContact O-N 3.12Å; S75-W77 WeakPolarHBondContact OG-CB 3.46Å; S75-T78 WeakPolarHBondContact CB-OG1 3.49Å; S75-T78 WeakPolarHBondContact O-CA 3.46Å; S75-T78 WeakPolarHBondContact O-CB 3.44Å; S75-T78 PolarHBondContact O-N 3.33Å; S75-T78 PolarHBondContact OG-N 2.9Å; S75-T78 PolarHBondContact OG-OG1 2.83Å; S75-I79 PolarHBondContact O-N 2.96Å
76V65.1Low69.2Low81 Ų8196.3 Ų96.349%0.49153%0.529SS..Hα-helixtrans-50.3-35.9171.2178.20000110.8F74 T78 I79 L80 F97F74-V76 PolarHBondContact O-N 3.32Å; V76-T78 VanDerWaalsContact C-N 3.3Å; V76-T78 PolarHBondContact O-N 2.95Å; V76-I79 PolarHBondContact O-N 3.18Å; V76-L80 HydrophobicContact CG1-CD1 3.97Å; V76-L80 HydrophobicContact CG1-CG 4.29Å; V76-L80 WeakPolarHBondContact O-CG 3.31Å; V76-L80 PolarHBondContact O-N 2.86Å; V76-F97 HydrophobicContact CG2-CE2 4.25Å; V76-F97 HydrophobicContact CG2-CZ 3.75Å
77W67.7Low67.9Low166 Ų16698.7 Ų98.763%0.62953%0.529SS*.Hα-helixtrans-61.5-33.3174.3-175-127.3000113.6S75 K81S75-W77 PolarHBondContact O-N 3.22Å; S75-W77 VanDerWaalsContact O-N 3.12Å; S75-W77 WeakPolarHBondContact OG-CB 3.46Å; W77-K81 VanDerWaalsContact CD1-CE 3.45Å; W77-K81 VanDerWaalsContact CE2-CE 3.48Å; W77-K81 WeakPolarHBondContact O-CB 3.02Å; W77-K81 VanDerWaalsContact O-CG 3.31Å; W77-K81 WeakPolarHBondContact O-CG 3.32Å; W77-K81 PolarHBondContact O-N 2.9Å
78T68.7Low66.2Low68 Ų6898.5 Ų98.542%0.41752%0.521SS..Hα-helixtrans-72.1-34.9176.7-58.30000111.8S75 V76 K82S75-T78 WeakPolarHBondContact CB-OG1 3.49Å; S75-T78 WeakPolarHBondContact O-CA 3.46Å; S75-T78 WeakPolarHBondContact O-CB 3.44Å; S75-T78 PolarHBondContact O-N 3.33Å; S75-T78 PolarHBondContact OG-N 2.9Å; S75-T78 PolarHBondContact OG-OG1 2.83Å; V76-T78 VanDerWaalsContact C-N 3.3Å; V76-T78 PolarHBondContact O-N 2.95Å; T78-K82 WeakPolarHBondContact O-CG 3.42Å; T78-K82 PolarHBondContact O-N 3.07Å
79I68.4Low64.8Low35 Ų3597.2 Ų97.218%0.17952%0.523CS..Hα-helixtrans-67.8-51.1171.7-61.9152.5000109.3F74 S75 V76 K81 K82 C83 I91 P94F74-I79 HydrophobicContact CD1-CD1 3.6Å; F74-I79 HydrophobicContact CD1-CG1 4.27Å; F74-I79 HydrophobicContact CE1-CD1 3.67Å; F74-I79 HydrophobicContact CE1-CG1 4.02Å; S75-I79 PolarHBondContact O-N 2.96Å; V76-I79 PolarHBondContact O-N 3.18Å; I79-K81 VanDerWaalsContact C-N 3.28Å; I79-K81 PolarHBondContact O-N 3.05Å; I79-K82 WeakPolarHBondContact O-CA 3.37Å; I79-K82 WeakPolarHBondContact O-CB 3.37Å; I79-K82 PolarHBondContact O-N 3.27Å; I79-C83 WeakPolarHBondContact O-CB 3.39Å; I79-C83 PolarHBondContact O-N 2.91Å; I79-C83 PolarHBondContact O-SG 2.87Å; I79-I91 HydrophobicContact CG2-CG2 4.3Å; I79-P94 HydrophobicContact CD1-CB 4.49Å; I79-P94 HydrophobicContact CD1-CG 3.34Å; I79-P94 HydrophobicContact CG1-CG 4.39Å
80L65.6Low63.7Low79 Ų7997.1 Ų97.141%0.41452%0.522SS..Hα-helixtrans-56.9-40178.8-70.2171.9000112.3V76 C83 V84V76-L80 HydrophobicContact CG1-CD1 3.97Å; V76-L80 HydrophobicContact CG1-CG 4.29Å; V76-L80 WeakPolarHBondContact O-CG 3.31Å; V76-L80 PolarHBondContact O-N 2.86Å; L80-C83 CarbonylContact O-C 3.53Å; L80-C83 PolarHBondContact O-N 3.22Å; L80-C83 VanDerWaalsContact O-N 3.16Å; L80-V84 WeakPolarHBondContact O-CG2 3.42Å; L80-V84 PolarHBondContact O-N 3.41Å
81K70.5Confident63Low123 Ų12396.8 Ų96.854%0.53552%0.515SS..Hα-helixtrans-60.6-44.1172.2-82.4-172.8-163.4178.20113.2W77 I79 C83 V84W77-K81 VanDerWaalsContact CD1-CE 3.45Å; W77-K81 VanDerWaalsContact CE2-CE 3.48Å; W77-K81 WeakPolarHBondContact O-CB 3.02Å; W77-K81 VanDerWaalsContact O-CG 3.31Å; W77-K81 WeakPolarHBondContact O-CG 3.32Å; W77-K81 PolarHBondContact O-N 2.9Å; I79-K81 VanDerWaalsContact C-N 3.28Å; I79-K81 PolarHBondContact O-N 3.05Å; K81-C83 PolarHBondContact O-N 2.9Å; K81-V84 PolarHBondContact O-N 2.97Å
82K65.9Low62.7Low164 Ų16498.6 Ų98.671%0.71354%0.537SS*.Hα-helixtrans-66.4-19.5176.9-74.6-180177.7-174.20112.4T78 I79T78-K82 WeakPolarHBondContact O-CG 3.42Å; T78-K82 PolarHBondContact O-N 3.07Å; I79-K82 WeakPolarHBondContact O-CA 3.37Å; I79-K82 WeakPolarHBondContact O-CB 3.37Å; I79-K82 PolarHBondContact O-N 3.27Å
83C62.9Low62.6Low11 Ų11101 Ų1017%0.07454%0.539CS..THydrogen-bonded Turntrans-98-0.7-178.8-62.90000113.7I79 L80 K81 G85 L86 L88 I91I79-C83 WeakPolarHBondContact O-CB 3.39Å; I79-C83 PolarHBondContact O-N 2.91Å; I79-C83 PolarHBondContact O-SG 2.87Å; L80-C83 CarbonylContact O-C 3.53Å; L80-C83 PolarHBondContact O-N 3.22Å; L80-C83 VanDerWaalsContact O-N 3.16Å; K81-C83 PolarHBondContact O-N 2.9Å; C83-G85 PolarHBondContact O-N 3.3Å; C83-G85 VanDerWaalsContact O-N 3.16Å; C83-L86 PolarHBondContact O-N 3.15Å; C83-L88 HydrophobicContact CB-CD2 3.99Å; C83-I91 HydrophobicContact CB-CD1 3.34Å; C83-I91 HydrophobicContact CB-CG1 4.3Å; C83-I91 WeakPolarHBondContact SG-CD1 3.37Å; C83-I91 VanDerWaalsContact SG-CG1 3.51Å
84V65.7Low63.1Low122 Ų12296.9 Ų96.974%0.73952%0.518SS*.THydrogen-bonded Turntrans-63.6117176176.70000109.2L80 K81L80-V84 WeakPolarHBondContact O-CG2 3.42Å; L80-V84 PolarHBondContact O-N 3.41Å; K81-V84 PolarHBondContact O-N 2.97Å
85G65.9Low63.7Low83 Ų8398.1 Ų98.186%0.85653%0.528SS*.THydrogen-bonded Turntrans97.5-4.8-177.900000114.9C83C83-G85 PolarHBondContact O-N 3.3Å; C83-G85 VanDerWaalsContact O-N 3.16Å
86L66.3Low63.8Low115 Ų11596.9 Ų96.960%0.60252%0.521SS*.SBendtrans-102.2153170.3-67.6173.3000110.6C83 L88 I91C83-L86 PolarHBondContact O-N 3.15Å; L86-L88 PolarHBondContact O-N 3.41Å; L86-L88 VanDerWaalsContact O-N 3.08Å; L86-I91 HydrophobicContact CB-CD1 4.31Å
87E63Low64.2Low116 Ų11695.3 Ų95.354%0.54251%0.508SS..  trans-64.6109.4173.3-149.1-167.1152.200109.1S89 K90E87-S89 VanDerWaalsContact CG-OG 3.29Å; E87-S89 WeakPolarHBondContact CG-OG 3.35Å; E87-S89 PolarHBondContact O-N 3.15Å; E87-S89 PolarHBondContact OE1-OG 3.42Å; E87-K90 HydrophobicContact CB-CD 4.46Å; E87-K90 HydrophobicContact CB-CG 4.49Å; E87-K90 PolarHBondContact O-N 3.06Å; E87-K90 WeakPolarHBondContact OE2-CE 3.45Å; E87-K90 IonicContact OE2-NZ 3.06Å; E87-K90 PolarHBondContact OE2-NZ 2.97Å
88L52.9Low64.9Low115 Ų11589.3 Ų89.360%0.60249%0.488SS*.G310 helixtrans-57.1-24.2-174.2-67.6172.6000113.3C83 L86 K90 I91C83-L88 HydrophobicContact CB-CD2 3.99Å; L86-L88 PolarHBondContact O-N 3.41Å; L86-L88 VanDerWaalsContact O-N 3.08Å; L88-K90 VanDerWaalsContact C-N 3.26Å; L88-K90 PolarHBondContact O-N 3.47Å; L88-I91 HydrophobicContact CD2-CD1 4.14Å; L88-I91 PolarHBondContact O-N 3.18Å
89S52.1Low65.9Low89 Ų8986.6 Ų86.662%0.62247%0.471SS*.G310 helixtrans-63.5-24.2175.454.10000114E87E87-S89 VanDerWaalsContact CG-OG 3.29Å; E87-S89 WeakPolarHBondContact CG-OG 3.35Å; E87-S89 PolarHBondContact O-N 3.15Å; E87-S89 PolarHBondContact OE1-OG 3.42Å
90K54Low67Low160 Ų16088.7 Ų88.770%0.69649%0.486SS*.G310 helixtrans-91.9-0.6-179.2-63.8-177.7-179.6165.60113.6E87 L88E87-K90 HydrophobicContact CB-CD 4.46Å; E87-K90 HydrophobicContact CB-CG 4.49Å; E87-K90 PolarHBondContact O-N 3.06Å; E87-K90 WeakPolarHBondContact OE2-CE 3.45Å; E87-K90 IonicContact OE2-NZ 3.06Å; E87-K90 PolarHBondContact OE2-NZ 2.97Å; L88-K90 VanDerWaalsContact C-N 3.26Å; L88-K90 PolarHBondContact O-N 3.47Å
91I56.2Low68.4Low53 Ų5387 Ų8727%0.27248%0.478SS..SBendtrans-95.2103.4-179.5-69.4135000109.1I79 C83 L86 L88 M93I79-I91 HydrophobicContact CG2-CG2 4.3Å; C83-I91 HydrophobicContact CB-CD1 3.34Å; C83-I91 HydrophobicContact CB-CG1 4.3Å; C83-I91 WeakPolarHBondContact SG-CD1 3.37Å; C83-I91 VanDerWaalsContact SG-CG1 3.51Å; L86-I91 HydrophobicContact CB-CD1 4.31Å; L88-I91 HydrophobicContact CD2-CD1 4.14Å; L88-I91 PolarHBondContact O-N 3.18Å; I91-M93 PolarHBondContact O-N 3.45Å
92T57.6Low69.6Low129 Ų12981.7 Ų81.779%0.79146%0.456SS*.PPolyproline II helixtrans-59.9127.9173.9-46.90000109.8
93M60.5Low71Confident147 Ų14778.5 Ų78.572%0.72444%0.442SS*.PPolyproline II helixtrans-53.1132.2173.4-77.6-68.6-72.200109.9I91 I95I91-M93 PolarHBondContact O-N 3.45Å; M93-I95 PolarHBondContact O-N 3.21Å; M93-I95 VanDerWaalsContact O-N 3.15Å
94P68.3Low72.7Confident27 Ų2778.2 Ų78.218%0.17544%0.44CS..PPolyproline II helixtrans-60123.8-176.8-18.826.5000110.8F74 I79 A96 F97F74-P94 HydrophobicContact CE1-CB 4.26Å; F74-P94 HydrophobicContact CE1-CG 4.35Å; I79-P94 HydrophobicContact CD1-CB 4.49Å; I79-P94 HydrophobicContact CD1-CG 3.34Å; I79-P94 HydrophobicContact CG1-CG 4.39Å; P94-A96 HydrophobicContact CB-CB 4.33Å; P94-A96 PolarHBondContact O-N 2.68Å; P94-F97 HydrophobicContact CB-CD2 4.07Å; P94-F97 HydrophobicContact CB-CE2 4.2Å; P94-F97 HydrophobicContact CG-CD2 4.17Å; P94-F97 HydrophobicContact CG-CE2 3.99Å; P94-F97 PolarHBondContact O-N 3.32Å; P94-F97 VanDerWaalsContact O-N 3.07Å
95I73.7Confident74.2Confident121 Ų12175.3 Ų75.362%0.62142%0.418SS*.G310 helixtrans-53.1-19.9172.7-165165.8000112.8M93 F97 N98 F152M93-I95 PolarHBondContact O-N 3.21Å; M93-I95 VanDerWaalsContact O-N 3.15Å; I95-F97 PolarHBondContact O-N 2.79Å; I95-F97 VanDerWaalsContact O-N 3.16Å; I95-N98 WeakPolarHBondContact O-CB 3.49Å; I95-N98 PolarHBondContact O-N 2.89Å; I95-F152 HydrophobicContact CD1-CE1 3.79Å; I95-F152 HydrophobicContact CD1-CZ 3.66Å; I95-F152 HydrophobicContact CG1-CE1 3.87Å; I95-F152 HydrophobicContact CG1-CZ 3.55Å
96A69.7Low75.5Confident30 Ų3072.1 Ų72.125%0.24838%0.381CS..G310 helixtrans-59.2-19.9175.300000114.5P94P94-A96 HydrophobicContact CB-CB 4.33Å; P94-A96 PolarHBondContact O-N 2.68Å
97F72.7Confident76.9Confident49 Ų4968.7 Ų68.722%0.21536%0.362CS..G310 helixtrans-90.3-8.7174.4-65.9-70.5000113.6F74 V76 P94 I95 K150F74-F97 HydrophobicContact CB-CZ 4.32Å; V76-F97 HydrophobicContact CG2-CE2 4.25Å; V76-F97 HydrophobicContact CG2-CZ 3.75Å; P94-F97 HydrophobicContact CB-CD2 4.07Å; P94-F97 HydrophobicContact CB-CE2 4.2Å; P94-F97 HydrophobicContact CG-CD2 4.17Å; P94-F97 HydrophobicContact CG-CE2 3.99Å; P94-F97 PolarHBondContact O-N 3.32Å; P94-F97 VanDerWaalsContact O-N 3.07Å; I95-F97 PolarHBondContact O-N 2.79Å; I95-F97 VanDerWaalsContact O-N 3.16Å; F97-K150 PolarHBondContact O-N 3.44Å
98N83.3Confident78.5Confident40 Ų4063.4 Ų63.421%0.21434%0.338CS..EExtended strand (participates in β ladder)trans-83.9146.5175.1-69.921.1000110I95 K150 F152I95-N98 WeakPolarHBondContact O-CB 3.49Å; I95-N98 PolarHBondContact O-N 2.89Å; N98-K150 CarbonylContact C-O 3.6Å; N98-K150 WeakPolarHBondContact CA-O 3.41Å; N98-K150 WeakPolarHBondContact CB-O 3.24Å; N98-F152 HydrophobicContact CB-CD2 4.24Å; N98-F152 HydrophobicContact CB-CE1 4.42Å; N98-F152 HydrophobicContact CB-CE2 3.73Å; N98-F152 HydrophobicContact CB-CZ 3.83Å; N98-F152 WeakPolarHBondContact ND2-CD1 3.12Å; N98-F152 WeakPolarHBondContact ND2-CE1 3.12Å
99E88.6Confident80.6Confident11 Ų1159.9 Ų59.95%0.05132%0.318CS..EExtended strand (participates in β ladder)trans-83.7154.1160.458.8166.5-164.400109.9L101 R106 R147 K150 P151 F152E99-L101 HydrophobicContact CG-CB 4.39Å; E99-L101 PolarHBondContact O-N 2.9Å; E99-R106 IonicContact OE1-CZ 3.99Å; E99-R106 IonicContact OE1-NE 2.61Å; E99-R106 PolarHBondContact OE1-NE 3.45Å; E99-R106 IonicContact OE1-NH2 2.88Å; E99-R106 PolarHBondContact OE1-NH2 2.93Å; E99-R106 IonicContact OE2-CZ 2.95Å; E99-R106 IonicContact OE2-NE 3.19Å; E99-R106 IonicContact OE2-NH2 3.83Å; E99-R106 PolarHBondContact OE2-NH2 2.9Å; E99-R147 VanDerWaalsContact CD-NH2 3.26Å; E99-R147 IonicContact OE1-CZ 2.96Å; E99-R147 IonicContact OE1-NH2 3.56Å; E99-R147 PolarHBondContact OE1-NH2 3.28Å; E99-R147 IonicContact OE2-CZ 3.35Å; E99-R147 VanDerWaalsContact OE2-CZ 3.24Å; E99-R147 IonicContact OE2-NE 2.79Å; E99-R147 PolarHBondContact OE2-NE 3.42Å; E99-R147 IonicContact OE2-NH2 2.68Å; E99-R147 PolarHBondContact OE2-NH2 3.37Å; E99-K150 PolarHBondContact N-O 2.86Å; E99-P151 HydrophobicContact CG-CB 4.46Å; E99-F152 VanDerWaalsContact O-CD2 3.28Å; E99-F152 WeakPolarHBondContact O-CD2 3.15Å; E99-F152 WeakPolarHBondContact O-CE2 3.29Å
100P92.6Very high82.7Confident78 Ų7860.8 Ų60.851%0.50631%0.309SS..EExtended strand (participates in β ladder)trans-78.450.1-176.234.7-38000112.2L64L64-P100 HydrophobicContact CD1-CG 3.94Å
101L94.8Very high84.8Confident44 Ų4455.3 Ų55.323%0.2329%0.286CS..EExtended strand (participates in β ladder)trans-138.6137.1178-67.9172.1000110.4E99 Q105 P151 F152E99-L101 HydrophobicContact CG-CB 4.39Å; E99-L101 PolarHBondContact O-N 2.9Å; L101-Q105 VanDerWaalsContact CA-OE1 3.29Å; L101-Q105 HydrophobicContact CB-CB 4.3Å; L101-Q105 HydrophobicContact CD2-CB 4Å; L101-P151 CarbonylContact O-C 3.58Å; L101-P151 VanDerWaalsContact O-CA 3.27Å; L101-P151 WeakPolarHBondContact O-CA 3.28Å; L101-P151 WeakPolarHBondContact O-CB 3.42Å; L101-F152 PolarHBondContact O-N 2.93Å
102S95.6Very high86.7Confident12 Ų1257.9 Ų57.98%0.08430%0.297CS..EExtended strand (participates in β ladder)trans-67.8153.2164.5172.80000110L104 Q105 R106 E158S102-L104 PolarHBondContact O-N 2.92Å; S102-L104 PolarHBondContact OG-N 3.46Å; S102-Q105 WeakPolarHBondContact O-CA 3.22Å; S102-Q105 WeakPolarHBondContact O-CB 3.41Å; S102-Q105 PolarHBondContact O-N 3.12Å; S102-R106 PolarHBondContact O-N 2.83Å; S102-E158 VanDerWaalsContact CB-OE1 3.23Å; S102-E158 WeakPolarHBondContact CB-OE1 3.46Å; S102-E158 PolarHBondContact OG-OE1 3.18Å
103F95.1Very high88.6Confident97 Ų9754 Ų5443%0.42527%0.27SS..Hα-helixtrans-57.8-32.7172.9-173.5-114.2000111.8Q105 R106 I107 P151 F152 P154F103-Q105 VanDerWaalsContact C-N 3.26Å; F103-Q105 PolarHBondContact O-N 3.18Å; F103-R106 HydrophobicContact CD2-CB 4.43Å; F103-R106 WeakPolarHBondContact O-CB 3.18Å; F103-R106 PolarHBondContact O-N 3Å; F103-R106 VanDerWaalsContact O-N 3.15Å; F103-I107 HydrophobicContact CD1-CG2 4.27Å; F103-I107 HydrophobicContact CE1-CG2 3.82Å; F103-I107 HydrophobicContact CE2-CG2 4.16Å; F103-I107 HydrophobicContact CZ-CG2 3.76Å; F103-I107 PolarHBondContact O-N 3.36Å; F103-P151 HydrophobicContact CB-CB 4.35Å; F103-P151 HydrophobicContact CB-CG 4.31Å; F103-P151 HydrophobicContact CD2-CG 3.78Å; F103-F152 PolarHBondContact N-O 3.09Å; F103-P154 HydrophobicContact CB-CG 3.71Å
104L97.4Very high90.4Very high4 Ų447.2 Ų47.22%0.02124%0.237CC..Hα-helixtrans-61.4-35.4174.3-60.3-176000112.6S102 I107 T108 P154 E158S102-L104 PolarHBondContact O-N 2.92Å; S102-L104 PolarHBondContact OG-N 3.46Å; L104-I107 HydrophobicContact CD2-CD1 4.38Å; L104-I107 WeakPolarHBondContact O-CG1 3.28Å; L104-T108 PolarHBondContact O-N 3Å; L104-T108 PolarHBondContact O-OG1 3.03Å; L104-P154 HydrophobicContact CD1-CB 4.18Å; L104-P154 HydrophobicContact CD1-CG 4.5Å; L104-P154 HydrophobicContact CD2-CB 4.49Å; L104-P154 HydrophobicContact CD2-CG 4.14Å; L104-P154 HydrophobicContact CG-CB 3.96Å; L104-P154 HydrophobicContact CG-CG 3.74Å; L104-E158 HydrophobicContact CD1-CB 4.15Å; L104-E158 HydrophobicContact CD1-CG 3.93Å; L104-E158 WeakPolarHBondContact CD1-O 3.24Å
105Q97.1Very high91.8Very high61 Ų6152.2 Ų52.229%0.28525%0.253SS..Hα-helixtrans-72.9-42.1174.3-65.9172.5-35.800110.7L101 S102 F103 I107 T108 Y160L101-Q105 VanDerWaalsContact CA-OE1 3.29Å; L101-Q105 HydrophobicContact CB-CB 4.3Å; L101-Q105 HydrophobicContact CD2-CB 4Å; S102-Q105 WeakPolarHBondContact O-CA 3.22Å; S102-Q105 WeakPolarHBondContact O-CB 3.41Å; S102-Q105 PolarHBondContact O-N 3.12Å; F103-Q105 VanDerWaalsContact C-N 3.26Å; F103-Q105 PolarHBondContact O-N 3.18Å; Q105-I107 PolarHBondContact O-N 3.21Å; Q105-T108 WeakPolarHBondContact O-CB 3.2Å; Q105-T108 PolarHBondContact O-N 3Å; Q105-T108 VanDerWaalsContact O-N 3.09Å; Q105-Y160 HydrophobicContact CB-CE1 4.47Å; Q105-Y160 HydrophobicContact CG-CD1 4.07Å; Q105-Y160 HydrophobicContact CG-CD2 3.52Å; Q105-Y160 HydrophobicContact CG-CE1 4.04Å; Q105-Y160 HydrophobicContact CG-CE2 3.51Å; Q105-Y160 HydrophobicContact CG-CG 3.81Å
106R95.3Very high92.9Very high17 Ų1747.1 Ų47.16%0.06423%0.227CC..Hα-helixtrans-57.2-45.8177.1178.370.180.9117.57.9112.1E99 S102 F103 T108 E109 G149 P151E99-R106 IonicContact OE1-CZ 3.99Å; E99-R106 IonicContact OE1-NE 2.61Å; E99-R106 PolarHBondContact OE1-NE 3.45Å; E99-R106 IonicContact OE1-NH2 2.88Å; E99-R106 PolarHBondContact OE1-NH2 2.93Å; E99-R106 IonicContact OE2-CZ 2.95Å; E99-R106 IonicContact OE2-NE 3.19Å; E99-R106 IonicContact OE2-NH2 3.83Å; E99-R106 PolarHBondContact OE2-NH2 2.9Å; S102-R106 PolarHBondContact O-N 2.83Å; F103-R106 HydrophobicContact CD2-CB 4.43Å; F103-R106 WeakPolarHBondContact O-CB 3.18Å; F103-R106 PolarHBondContact O-N 3Å; F103-R106 VanDerWaalsContact O-N 3.15Å; R106-T108 PolarHBondContact O-N 2.81Å; R106-E109 WeakPolarHBondContact O-CB 3.09Å; R106-E109 PolarHBondContact O-N 2.93Å; R106-G149 PolarHBondContact NH2-O 2.73Å; R106-P151 HydrophobicContact CB-CB 4.36Å
107I95.3Very high94.3Very high42 Ų4248.8 Ų48.822%0.21523%0.231CC..Hα-helixtrans-67-26.5178.861.7172.4000112.6F103 L104 Q105 E109 Y110 F171F103-I107 HydrophobicContact CD1-CG2 4.27Å; F103-I107 HydrophobicContact CE1-CG2 3.82Å; F103-I107 HydrophobicContact CE2-CG2 4.16Å; F103-I107 HydrophobicContact CZ-CG2 3.76Å; F103-I107 PolarHBondContact O-N 3.36Å; L104-I107 HydrophobicContact CD2-CD1 4.38Å; L104-I107 WeakPolarHBondContact O-CG1 3.28Å; Q105-I107 PolarHBondContact O-N 3.21Å; I107-E109 PolarHBondContact O-N 3.13Å; I107-Y110 WeakPolarHBondContact O-CB 3.12Å; I107-Y110 VanDerWaalsContact O-CG 3.27Å; I107-Y110 PolarHBondContact O-N 3.23Å; I107-F171 HydrophobicContact CD1-CZ 4.44Å; I107-F171 HydrophobicContact CG1-CZ 4.42Å
108T96.9Very high95.5Very high5 Ų550.3 Ų50.33%0.03124%0.239CC..Hα-helixtrans-67.7-24179-54.30000111.7L104 Q105 R106 Y110 M111 Y160 L162 F171L104-T108 PolarHBondContact O-N 3Å; L104-T108 PolarHBondContact O-OG1 3.03Å; Q105-T108 WeakPolarHBondContact O-CB 3.2Å; Q105-T108 PolarHBondContact O-N 3Å; Q105-T108 VanDerWaalsContact O-N 3.09Å; R106-T108 PolarHBondContact O-N 2.81Å; T108-Y110 PolarHBondContact O-N 3.31Å; T108-Y110 VanDerWaalsContact O-N 3.12Å; T108-M111 WeakPolarHBondContact O-CB 3.38Å; T108-M111 PolarHBondContact O-N 3.45Å; T108-Y160 HydrophobicContact CG2-CE1 3.92Å; T108-Y160 VanDerWaalsContact OG1-CD1 3.28Å; T108-Y160 WeakPolarHBondContact OG1-CD1 3.32Å; T108-Y160 WeakPolarHBondContact OG1-CE1 3.45Å; T108-L162 HydrophobicContact CG2-CB 4.05Å; T108-L162 HydrophobicContact CG2-CD2 3.5Å; T108-L162 HydrophobicContact CG2-CG 4.41Å; T108-F171 HydrophobicContact CG2-CB 4.29Å; T108-F171 HydrophobicContact CG2-CD1 3.69Å; T108-F171 HydrophobicContact CG2-CD2 4.32Å; T108-F171 HydrophobicContact CG2-CE1 4.04Å; T108-F171 HydrophobicContact CG2-CG 3.84Å; T108-F171 HydrophobicContact CG2-CZ 4.5Å; T108-F171 WeakPolarHBondContact OG1-CD1 3.31Å; T108-F171 WeakPolarHBondContact OG1-CE1 3.37Å
109E96.6Very high96.1Very high41 Ų4155.6 Ų55.619%0.19226%0.256CS..G310 helixtrans-62.8-16.7176.7-60.1178.6-148.600113.5R106 I107 M111 E112 S143 R147R106-E109 WeakPolarHBondContact O-CB 3.09Å; R106-E109 PolarHBondContact O-N 2.93Å; I107-E109 PolarHBondContact O-N 3.13Å; E109-M111 PolarHBondContact O-N 3.21Å; E109-E112 VanDerWaalsContact O-CB 3.24Å; E109-E112 WeakPolarHBondContact O-CB 3Å; E109-E112 PolarHBondContact O-N 2.95Å; E109-S143 WeakPolarHBondContact OE2-CB 3.34Å; E109-S143 PolarHBondContact OE2-OG 3.33Å; E109-R147 IonicContact OE1-CZ 3.13Å; E109-R147 VanDerWaalsContact OE1-CZ 3.27Å; E109-R147 IonicContact OE1-NH1 3.66Å; E109-R147 PolarHBondContact OE1-NH1 3.19Å; E109-R147 IonicContact OE1-NH2 3.41Å; E109-R147 PolarHBondContact OE1-NH2 2.94Å; E109-R147 IonicContact OE2-CZ 2.85Å; E109-R147 IonicContact OE2-NH1 3.7Å; E109-R147 PolarHBondContact OE2-NH1 2.98Å; E109-R147 IonicContact OE2-NH2 3.32Å
110Y96.1Very high96.6Very high109 Ų10955.4 Ų55.443%0.42726%0.256SS..G310 helixtrans-55.7-23.8170.1-66.6-6.1000112.4I107 T108 E112 F136 A140I107-Y110 WeakPolarHBondContact O-CB 3.12Å; I107-Y110 VanDerWaalsContact O-CG 3.27Å; I107-Y110 PolarHBondContact O-N 3.23Å; T108-Y110 PolarHBondContact O-N 3.31Å; T108-Y110 VanDerWaalsContact O-N 3.12Å; Y110-E112 VanDerWaalsContact C-N 3.35Å; Y110-F136 WeakPolarHBondContact O-CE2 3.37Å; Y110-F136 WeakPolarHBondContact O-CZ 3.14Å; Y110-A140 HydrophobicContact CD1-CB 3.84Å; Y110-A140 WeakPolarHBondContact CD1-O 3.38Å; Y110-A140 HydrophobicContact CG-CB 3.91Å
111M97.3Very high96.8Very high44 Ų4456.6 Ų56.622%0.21727%0.266CS..G310 helixtrans-86.72.9178.6-53.8-55.8-67.100113.8T108 E109 H113 V114 F136 F169 F171T108-M111 WeakPolarHBondContact O-CB 3.38Å; T108-M111 PolarHBondContact O-N 3.45Å; E109-M111 PolarHBondContact O-N 3.21Å; M111-H113 PolarHBondContact O-N 2.92Å; M111-V114 HydrophobicContact CE-CB 4.39Å; M111-V114 HydrophobicContact CE-CG2 3.82Å; M111-V114 WeakPolarHBondContact O-CB 3.41Å; M111-V114 PolarHBondContact O-N 3.14Å; M111-F136 HydrophobicContact SD-CZ 4.03Å; M111-F169 HydrophobicContact CB-CD2 4.4Å; M111-F169 HydrophobicContact CB-CE1 4.28Å; M111-F169 HydrophobicContact CB-CE2 3.73Å; M111-F169 HydrophobicContact CB-CZ 3.65Å; M111-F169 HydrophobicContact CE-CD2 4.34Å; M111-F169 HydrophobicContact CG-CE2 4.12Å; M111-F171 HydrophobicContact CG-CD2 4Å; M111-F171 HydrophobicContact CG-CE2 4.4Å
112E96.4Very high97Very high108 Ų10859.4 Ų59.451%0.50529%0.289SS..THydrogen-bonded Turntrans-53.4-41.3180-178.4-179.9-170.100112.1E109 Y110E109-E112 VanDerWaalsContact O-CB 3.24Å; E109-E112 WeakPolarHBondContact O-CB 3Å; E109-E112 PolarHBondContact O-N 2.95Å; Y110-E112 VanDerWaalsContact C-N 3.35Å
113H97.7Very high97.1Very high46 Ų4661.1 Ų61.121%0.21330%0.295CS..THydrogen-bonded Turntrans-10535-176.8-58.882.8000112.6M111 Y115 L116 S139M111-H113 PolarHBondContact O-N 2.92Å; H113-Y115 HydrophobicContact CB-CD1 4.36Å; H113-Y115 HydrophobicContact CB-CE1 3.86Å; H113-Y115 AromaticContact CD2-CE1 3.81Å; H113-Y115 PolarHBondContact O-N 2.84Å; H113-L116 HydrophobicContact CB-CD1 3.95Å; H113-L116 HydrophobicContact CB-CG 4.5Å; H113-L116 WeakPolarHBondContact O-CB 3.36Å; H113-L116 PolarHBondContact O-N 3.4Å; H113-S139 WeakPolarHBondContact CB-OG 3.42Å
114V97.6Very high97.1Very high6 Ų661.6 Ų61.64%0.03631%0.308CS..THydrogen-bonded Turntrans-55-22.9-178.969.70000114.2M111 L116 I117 H118 L167 F169M111-V114 HydrophobicContact CE-CB 4.39Å; M111-V114 HydrophobicContact CE-CG2 3.82Å; M111-V114 WeakPolarHBondContact O-CB 3.41Å; M111-V114 PolarHBondContact O-N 3.14Å; V114-L116 PolarHBondContact O-N 3.43Å; V114-L116 VanDerWaalsContact O-N 3.07Å; V114-I117 WeakPolarHBondContact O-CB 3.33Å; V114-I117 PolarHBondContact O-N 2.95Å; V114-H118 PolarHBondContact O-N 3.44Å; V114-L167 HydrophobicContact CG1-CB 3.84Å; V114-L167 HydrophobicContact CG1-CD1 4.38Å; V114-F169 HydrophobicContact CB-CD1 4.27Å; V114-F169 HydrophobicContact CG1-CD1 3.77Å; V114-F169 HydrophobicContact CG1-CE1 4.01Å; V114-F169 HydrophobicContact CG2-CB 4.43Å; V114-F169 HydrophobicContact CG2-CD1 4.25Å; V114-F169 HydrophobicContact CG2-CG 4.49Å
115Y97.6Very high97.2Very high131 Ų13166.8 Ų66.851%0.51433%0.332SS..Hα-helixtrans-57.2-24.2174.574.9-92.2000113.2H113 I117 H118 R119H113-Y115 HydrophobicContact CB-CD1 4.36Å; H113-Y115 HydrophobicContact CB-CE1 3.86Å; H113-Y115 AromaticContact CD2-CE1 3.81Å; H113-Y115 PolarHBondContact O-N 2.84Å; Y115-I117 VanDerWaalsContact C-N 3.34Å; Y115-H118 PolarHBondContact O-N 2.59Å; Y115-R119 WeakPolarHBondContact O-CB 3.41Å; Y115-R119 PolarHBondContact O-N 2.98Å
116L98.1Very high97.2Very high15 Ų1568.1 Ų68.18%0.07935%0.346CS..Hα-helixtrans-67.6-34.4174.1-67.1171.2000111.9H113 V114 A120 A135 F136H113-L116 HydrophobicContact CB-CD1 3.95Å; H113-L116 HydrophobicContact CB-CG 4.5Å; H113-L116 WeakPolarHBondContact O-CB 3.36Å; H113-L116 PolarHBondContact O-N 3.4Å; V114-L116 PolarHBondContact O-N 3.43Å; V114-L116 VanDerWaalsContact O-N 3.07Å; L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.23Å; L116-A135 HydrophobicContact CD1-CB 4.17Å; L116-A135 HydrophobicContact CD2-CB 4.38Å; L116-F136 HydrophobicContact CB-CB 3.91Å; L116-F136 HydrophobicContact CB-CD2 4.35Å; L116-F136 HydrophobicContact CD1-CB 4.21Å
117I98.1Very high97.4Very high64 Ų6472.9 Ų72.933%0.32837%0.372SS..Hα-helixtrans-69-44.1173.1-61-58.3000110.5V114 Y115 R119 A120 S121 F136V114-I117 WeakPolarHBondContact O-CB 3.33Å; V114-I117 PolarHBondContact O-N 2.95Å; Y115-I117 VanDerWaalsContact C-N 3.34Å; I117-R119 VanDerWaalsContact C-N 3.32Å; I117-R119 PolarHBondContact O-N 3.26Å; I117-A120 WeakPolarHBondContact O-CB 3.26Å; I117-A120 PolarHBondContact O-N 2.96Å; I117-A120 VanDerWaalsContact O-N 3.17Å; I117-S121 PolarHBondContact O-N 2.92Å; I117-F136 HydrophobicContact CD1-CB 4.04Å; I117-F136 HydrophobicContact CD1-CD1 3.56Å; I117-F136 HydrophobicContact CD1-CD2 4.12Å; I117-F136 HydrophobicContact CD1-CE1 4Å; I117-F136 HydrophobicContact CD1-CG 3.62Å; I117-F136 HydrophobicContact CD1-CZ 4.45Å; I117-F136 HydrophobicContact CG1-CD1 4.06Å; I117-F136 HydrophobicContact CG1-CD2 3.82Å; I117-F136 HydrophobicContact CG1-CE1 4.17Å; I117-F136 HydrophobicContact CG1-CE2 3.95Å; I117-F136 HydrophobicContact CG1-CG 3.87Å; I117-F136 HydrophobicContact CG1-CZ 4.12Å
118H97.4Very high97.5Very high82 Ų8274.1 Ų74.138%0.3838%0.377SS..Hα-helixtrans-59.1-45.5174.5-64.4-45.1000111.1V114 Y115 A120 S121 C122 L167V114-H118 PolarHBondContact O-N 3.44Å; Y115-H118 PolarHBondContact O-N 2.59Å; H118-A120 VanDerWaalsContact C-N 3.34Å; H118-A120 PolarHBondContact O-N 3.32Å; H118-S121 PolarHBondContact O-N 2.99Å; H118-C122 PolarHBondContact O-N 3.26Å; H118-C122 PolarHBondContact O-SG 3.42Å; H118-C122 VanDerWaalsContact O-SG 3.42Å; H118-L167 PolarHBondContact NE2-O 3.32Å
119R97.4Very high97.6Very high151 Ų15178.4 Ų78.457%0.5739%0.393SS*.Hα-helixtrans-59.1-44.3174.8-179.1178.7177.6174.5-0.9111.7Y115 I117 S121 C122 Q123Y115-R119 WeakPolarHBondContact O-CB 3.41Å; Y115-R119 PolarHBondContact O-N 2.98Å; I117-R119 VanDerWaalsContact C-N 3.32Å; I117-R119 PolarHBondContact O-N 3.26Å; R119-S121 VanDerWaalsContact C-N 3.34Å; R119-C122 PolarHBondContact O-N 3.29Å; R119-Q123 WeakPolarHBondContact O-CG 3.23Å; R119-Q123 PolarHBondContact O-N 3.32Å; R119-Q123 PolarHBondContact O-NE2 3.36Å
120A98.1Very high97.7Very high7 Ų782.4 Ų82.46%0.05841%0.413CS..Hα-helixtrans-59.7-43.9176.700000111.1L116 I117 H118 C122 Q123 R129 V133L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.23Å; I117-A120 WeakPolarHBondContact O-CB 3.26Å; I117-A120 PolarHBondContact O-N 2.96Å; I117-A120 VanDerWaalsContact O-N 3.17Å; H118-A120 VanDerWaalsContact C-N 3.34Å; H118-A120 PolarHBondContact O-N 3.32Å; A120-C122 PolarHBondContact O-N 3.15Å; A120-C122 VanDerWaalsContact O-N 3.16Å; A120-Q123 PolarHBondContact O-N 2.97Å; A120-Q123 VanDerWaalsContact O-N 3.11Å; A120-R129 VanDerWaalsContact O-CD 3.3Å; A120-R129 WeakPolarHBondContact O-CD 3.24Å; A120-R129 WeakPolarHBondContact O-CG 3.37Å; A120-V133 HydrophobicContact CB-CG2 4.17Å
121S97.8Very high97.8Very high103 Ų10382.8 Ų82.872%0.7242%0.419SS*.Hα-helixtrans-61.5-25.1178.9-169.20000113.4I117 H118 R119I117-S121 PolarHBondContact O-N 2.92Å; H118-S121 PolarHBondContact O-N 2.99Å; R119-S121 VanDerWaalsContact C-N 3.34Å
122C97.4Very high97.8Very high103 Ų10381.1 Ų81.170%0.69641%0.411SS*.THydrogen-bonded Turntrans-88.8-10.1178.9-62.30000114H118 R119 A120H118-C122 PolarHBondContact O-N 3.26Å; H118-C122 PolarHBondContact O-SG 3.42Å; H118-C122 VanDerWaalsContact O-SG 3.42Å; R119-C122 PolarHBondContact O-N 3.29Å; A120-C122 PolarHBondContact O-N 3.15Å; A120-C122 VanDerWaalsContact O-N 3.16Å
123Q97.7Very high97.9Very high48 Ų4879.1 Ų79.122%0.22441%0.406CS..  trans-81.3129.5-177.6-51.6-54-5000111.9R119 A120 E128 R129R119-Q123 WeakPolarHBondContact O-CG 3.23Å; R119-Q123 PolarHBondContact O-N 3.32Å; R119-Q123 PolarHBondContact O-NE2 3.36Å; A120-Q123 PolarHBondContact O-N 2.97Å; A120-Q123 VanDerWaalsContact O-N 3.11Å; Q123-E128 HydrophobicContact CB-CB 3.96Å; Q123-E128 HydrophobicContact CG-CB 3.99Å; Q123-E128 PolarHBondContact OE1-OE2 3.3Å; Q123-R129 HydrophobicContact CB-CG 3.76Å; Q123-R129 WeakPolarHBondContact O-CG 3.49Å; Q123-R129 PolarHBondContact O-NH1 3.45Å
124P97Very high97.9Very high106 Ų10679.4 Ų79.469%0.68842%0.417SS*.SBendtrans-71-38.8177.628.2-32.7000111.4R129P124-R129 PolarHBondContact O-NH1 2.9Å
125Q98.2Very high98Very high113 Ų11381.2 Ų81.253%0.52843%0.432SS..SBendtrans-82.5130.5-176.2-62.6-152.31400112L127 E128 R129Q125-L127 PolarHBondContact O-N 3.39Å; Q125-E128 HydrophobicContact CB-CB 4.37Å; Q125-E128 HydrophobicContact CB-CG 4.11Å; Q125-E128 PolarHBondContact O-N 3.04Å; Q125-R129 PolarHBondContact O-N 3.16Å; Q125-R129 VanDerWaalsContact O-N 3.17Å
126P98.1Very high98Very high90 Ų9076.7 Ų76.758%0.58442%0.415SS*.Hα-helixtrans-57.9-34.4177.7-23.231.4000114.2R129 M130P126-R129 WeakPolarHBondContact O-CB 3.43Å; P126-R129 PolarHBondContact O-N 3.19Å; P126-M130 PolarHBondContact O-N 2.69Å
127L98Very high98Very high116 Ų11678.8 Ų78.861%0.60744%0.435SS*.Hα-helixtrans-66.3-43.5179.9-177.361.4000112Q125 R129 M130 Q131Q125-L127 PolarHBondContact O-N 3.39Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 3.13Å; L127-M130 WeakPolarHBondContact O-CB 3.35Å; L127-M130 PolarHBondContact O-N 2.9Å; L127-Q131 WeakPolarHBondContact O-CG 3.39Å; L127-Q131 PolarHBondContact O-N 2.99Å
128E97.9Very high98Very high69 Ų6980.9 Ų80.932%0.32245%0.45SS..Hα-helixtrans-67.3-34.1177.3-64.9173.9173.200111.8Q123 Q125 Q131 S132Q123-E128 HydrophobicContact CB-CB 3.96Å; Q123-E128 HydrophobicContact CG-CB 3.99Å; Q123-E128 PolarHBondContact OE1-OE2 3.3Å; Q125-E128 HydrophobicContact CB-CB 4.37Å; Q125-E128 HydrophobicContact CB-CG 4.11Å; Q125-E128 PolarHBondContact O-N 3.04Å; E128-Q131 PolarHBondContact O-N 3.05Å; E128-S132 PolarHBondContact O-N 2.8Å; E128-S132 VanDerWaalsContact O-N 3.15Å; E128-S132 PolarHBondContact O-OG 2.8Å; E128-S132 VanDerWaalsContact O-OG 3.06Å
129R98.6Very high97.9Very high95 Ų9577.7 Ų77.736%0.35844%0.437SS..Hα-helixtrans-59.8-48.9169.2-66.6-158-67.2-82.41.1111.1A120 Q123 P124 Q125 P126 L127 Q131 S132 V133A120-R129 VanDerWaalsContact O-CD 3.3Å; A120-R129 WeakPolarHBondContact O-CD 3.24Å; A120-R129 WeakPolarHBondContact O-CG 3.37Å; Q123-R129 HydrophobicContact CB-CG 3.76Å; Q123-R129 WeakPolarHBondContact O-CG 3.49Å; Q123-R129 PolarHBondContact O-NH1 3.45Å; P124-R129 PolarHBondContact O-NH1 2.9Å; Q125-R129 PolarHBondContact O-N 3.16Å; Q125-R129 VanDerWaalsContact O-N 3.17Å; P126-R129 WeakPolarHBondContact O-CB 3.43Å; P126-R129 PolarHBondContact O-N 3.19Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 3.13Å; R129-Q131 VanDerWaalsContact C-N 3.33Å; R129-Q131 PolarHBondContact O-N 3.28Å; R129-S132 PolarHBondContact O-N 3.03Å; R129-S132 VanDerWaalsContact O-N 3.15Å; R129-V133 WeakPolarHBondContact O-CG2 3.25Å; R129-V133 PolarHBondContact O-N 2.65Å
130M98.4Very high97.8Very high124 Ų12470.9 Ų70.961%0.61141%0.413SS*.Hα-helixtrans-61.1-41.2180-174.258.970.400112P126 L127 S132 V133 A134P126-M130 PolarHBondContact O-N 2.69Å; L127-M130 WeakPolarHBondContact O-CB 3.35Å; L127-M130 PolarHBondContact O-N 2.9Å; M130-S132 VanDerWaalsContact C-N 3.31Å; M130-S132 PolarHBondContact O-N 3.44Å; M130-V133 PolarHBondContact O-N 2.74Å; M130-A134 WeakPolarHBondContact O-CB 3.18Å; M130-A134 PolarHBondContact O-N 3.05Å
131Q98.3Very high97.4Very high118 Ų11874.5 Ų74.555%0.55143%0.434SS*.Hα-helixtrans-58.9-42.4174.8-71.3171.4-24.400112.1L127 E128 R129 A134 A135L127-Q131 WeakPolarHBondContact O-CG 3.39Å; L127-Q131 PolarHBondContact O-N 2.99Å; E128-Q131 PolarHBondContact O-N 3.05Å; R129-Q131 VanDerWaalsContact C-N 3.33Å; R129-Q131 PolarHBondContact O-N 3.28Å; Q131-A134 PolarHBondContact O-N 2.81Å; Q131-A135 WeakPolarHBondContact O-CB 3.36Å; Q131-A135 PolarHBondContact O-N 2.88Å
132S98.3Very high97.2Very high9 Ų972.4 Ų72.46%0.06342%0.424CS..Hα-helixtrans-68-39.9178.5-58.10000112E128 R129 M130 A135 F136E128-S132 PolarHBondContact O-N 2.8Å; E128-S132 VanDerWaalsContact O-N 3.15Å; E128-S132 PolarHBondContact O-OG 2.8Å; E128-S132 VanDerWaalsContact O-OG 3.06Å; R129-S132 PolarHBondContact O-N 3.03Å; R129-S132 VanDerWaalsContact O-N 3.15Å; M130-S132 VanDerWaalsContact C-N 3.31Å; M130-S132 PolarHBondContact O-N 3.44Å; S132-A135 PolarHBondContact O-N 2.61Å; S132-F136 PolarHBondContact O-N 3Å
133V98.4Very high96.8Very high66 Ų6668.8 Ų68.840%0.440%0.399SS..Hα-helixtrans-66.4-40.7174.7173.20000111.5A120 R129 M130 F136 A137A120-V133 HydrophobicContact CB-CG2 4.17Å; R129-V133 WeakPolarHBondContact O-CG2 3.25Å; R129-V133 PolarHBondContact O-N 2.65Å; M130-V133 PolarHBondContact O-N 2.74Å; V133-F136 WeakPolarHBondContact O-CB 3.19Å; V133-F136 PolarHBondContact O-N 3.4Å; V133-A137 PolarHBondContact O-N 2.96Å
134A98.4Very high96.4Very high52 Ų5269.8 Ų69.843%0.4340%0.404SS..Hα-helixtrans-63.4-43.1175.500000111.5M130 Q131 F136 A137 V138M130-A134 WeakPolarHBondContact O-CB 3.18Å; M130-A134 PolarHBondContact O-N 3.05Å; Q131-A134 PolarHBondContact O-N 2.81Å; A134-F136 VanDerWaalsContact C-N 3.31Å; A134-F136 PolarHBondContact O-N 3.09Å; A134-A137 PolarHBondContact O-N 3.04Å; A134-V138 PolarHBondContact O-N 2.79Å; A134-V138 VanDerWaalsContact O-N 3.14Å
135A98.2Very high95.9Very high44 Ų4474.5 Ų74.536%0.36441%0.408SS..Hα-helixtrans-60.1-41.817300000111.7L116 Q131 S132 V138 S139L116-A135 HydrophobicContact CD1-CB 4.17Å; L116-A135 HydrophobicContact CD2-CB 4.38Å; Q131-A135 WeakPolarHBondContact O-CB 3.36Å; Q131-A135 PolarHBondContact O-N 2.88Å; S132-A135 PolarHBondContact O-N 2.61Å; A135-V138 PolarHBondContact O-N 2.96Å; A135-S139 WeakPolarHBondContact O-CB 3.45Å; A135-S139 PolarHBondContact O-N 2.74Å; A135-S139 PolarHBondContact O-OG 3.1Å
136F98.3Very high95.3Very high35 Ų3576.5 Ų76.515%0.15442%0.418CS..Hα-helixtrans-60-47.9175.6176.1-103.1000111.8Y110 M111 L116 I117 S132 V133 A134 V138 S139 A140Y110-F136 WeakPolarHBondContact O-CE2 3.37Å; Y110-F136 WeakPolarHBondContact O-CZ 3.14Å; M111-F136 HydrophobicContact SD-CZ 4.03Å; L116-F136 HydrophobicContact CB-CB 3.91Å; L116-F136 HydrophobicContact CB-CD2 4.35Å; L116-F136 HydrophobicContact CD1-CB 4.21Å; I117-F136 HydrophobicContact CD1-CB 4.04Å; I117-F136 HydrophobicContact CD1-CD1 3.56Å; I117-F136 HydrophobicContact CD1-CD2 4.12Å; I117-F136 HydrophobicContact CD1-CE1 4Å; I117-F136 HydrophobicContact CD1-CG 3.62Å; I117-F136 HydrophobicContact CD1-CZ 4.45Å; I117-F136 HydrophobicContact CG1-CD1 4.06Å; I117-F136 HydrophobicContact CG1-CD2 3.82Å; I117-F136 HydrophobicContact CG1-CE1 4.17Å; I117-F136 HydrophobicContact CG1-CE2 3.95Å; I117-F136 HydrophobicContact CG1-CG 3.87Å; I117-F136 HydrophobicContact CG1-CZ 4.12Å; S132-F136 PolarHBondContact O-N 3Å; V133-F136 WeakPolarHBondContact O-CB 3.19Å; V133-F136 PolarHBondContact O-N 3.4Å; A134-F136 VanDerWaalsContact C-N 3.31Å; A134-F136 PolarHBondContact O-N 3.09Å; F136-V138 VanDerWaalsContact C-N 3.32Å; F136-V138 PolarHBondContact O-N 3.42Å; F136-S139 WeakPolarHBondContact CA-OG 3.47Å; F136-S139 PolarHBondContact O-N 3.19Å; F136-S139 VanDerWaalsContact O-N 3.13Å; F136-S139 PolarHBondContact O-OG 2.96Å; F136-A140 PolarHBondContact O-N 3.24Å
137A97.7Very high94.7Very high60 Ų6075.2 Ų75.250%0.49640%0.401SS..Hα-helixtrans-58.6-40.8179.300000112.9V133 A134V133-A137 PolarHBondContact O-N 2.96Å; A134-A137 PolarHBondContact O-N 3.04Å
138V97.6Very high93.8Very high107 Ų10774.5 Ų74.565%0.64840%0.402SS*.Hα-helixtrans-70.6-40.7175.5176.10000111.4A134 A135 F136 A140 V141A134-V138 PolarHBondContact O-N 2.79Å; A134-V138 VanDerWaalsContact O-N 3.14Å; A135-V138 PolarHBondContact O-N 2.96Å; F136-V138 VanDerWaalsContact C-N 3.32Å; F136-V138 PolarHBondContact O-N 3.42Å; V138-A140 PolarHBondContact O-N 3.44Å; V138-V141 WeakPolarHBondContact O-CG2 3.4Å; V138-V141 PolarHBondContact O-N 3.15Å
139S97.1Very high93.1Very high15 Ų1571.6 Ų71.611%0.10539%0.39CS..Hα-helixtrans-63.7-29.6-179.772.50000113.3H113 A135 F136 V141 A142H113-S139 WeakPolarHBondContact CB-OG 3.42Å; A135-S139 WeakPolarHBondContact O-CB 3.45Å; A135-S139 PolarHBondContact O-N 2.74Å; A135-S139 PolarHBondContact O-OG 3.1Å; F136-S139 WeakPolarHBondContact CA-OG 3.47Å; F136-S139 PolarHBondContact O-N 3.19Å; F136-S139 VanDerWaalsContact O-N 3.13Å; F136-S139 PolarHBondContact O-OG 2.96Å; S139-V141 PolarHBondContact O-N 2.95Å; S139-V141 VanDerWaalsContact O-N 3.16Å; S139-A142 VanDerWaalsContact O-CB 3.25Å; S139-A142 WeakPolarHBondContact O-CB 3.28Å; S139-A142 PolarHBondContact O-N 3.28Å
140A94Very high92.4Very high9 Ų973.6 Ų73.67%0.07440%0.401CS..THydrogen-bonded Turntrans-60.3-26.1179.400000113.2Y110 F136 V138Y110-A140 HydrophobicContact CD1-CB 3.84Å; Y110-A140 WeakPolarHBondContact CD1-O 3.38Å; Y110-A140 HydrophobicContact CG-CB 3.91Å; F136-A140 PolarHBondContact O-N 3.24Å; V138-A140 PolarHBondContact O-N 3.44Å
141V91Very high92.1Very high82 Ų8268.7 Ų68.750%0.49738%0.379SS..THydrogen-bonded Turntrans-102.34.6178.8-60.90000113.3V138 S139 S143 Q144V138-V141 WeakPolarHBondContact O-CG2 3.4Å; V138-V141 PolarHBondContact O-N 3.15Å; S139-V141 PolarHBondContact O-N 2.95Å; S139-V141 VanDerWaalsContact O-N 3.16Å; V141-S143 VanDerWaalsContact C-N 3.33Å; V141-S143 PolarHBondContact O-N 3.35Å; V141-Q144 HydrophobicContact CB-CG 4.44Å; V141-Q144 VanDerWaalsContact O-CG 3.28Å; V141-Q144 WeakPolarHBondContact O-CG 3.27Å; V141-Q144 PolarHBondContact O-N 3.16Å
142A92.1Very high91.7Very high60 Ų6066.7 Ų66.750%0.49637%0.368SS..G310 helixtrans-66.8-33.5-177.600000112.6S139 Q144S139-A142 VanDerWaalsContact O-CB 3.25Å; S139-A142 WeakPolarHBondContact O-CB 3.28Å; S139-A142 PolarHBondContact O-N 3.28Å; A142-Q144 PolarHBondContact O-N 3.07Å; A142-Q144 VanDerWaalsContact O-N 3.09Å
143S90.5Very high91.4Very high26 Ų2671.1 Ų71.118%0.18239%0.391CS..G310 helixtrans-70.9-1.8-178.174.30000114.2E109 V141 R147E109-S143 WeakPolarHBondContact OE2-CB 3.34Å; E109-S143 PolarHBondContact OE2-OG 3.33Å; V141-S143 VanDerWaalsContact C-N 3.33Å; V141-S143 PolarHBondContact O-N 3.35Å; S143-R147 WeakPolarHBondContact O-CD 3.44Å
144Q88.8Confident91.3Very high70 Ų7068 Ų6833%0.32737%0.372SS..G310 helixtrans-83.1-19.9-174-53.7-53.7-53.500113.7V141 A142 E146 R147V141-Q144 HydrophobicContact CB-CG 4.44Å; V141-Q144 VanDerWaalsContact O-CG 3.28Å; V141-Q144 WeakPolarHBondContact O-CG 3.27Å; V141-Q144 PolarHBondContact O-N 3.16Å; A142-Q144 PolarHBondContact O-N 3.07Å; A142-Q144 VanDerWaalsContact O-N 3.09Å; Q144-E146 PolarHBondContact O-N 2.94Å; Q144-R147 PolarHBondContact O-N 3.25Å
145W86.8Confident91.1Very high205 Ų20571.5 Ų71.578%0.77738%0.383SS*.THydrogen-bonded Turntrans-58.2135.7178-175.6-102.8000110.6R147W145-R147 PolarHBondContact O-N 3.43Å
146E84.1Confident91Very high155 Ų15574.9 Ų74.972%0.72440%0.395SS*.THydrogen-bonded Turntrans61.9-4-177-72.4167-161.500117.1Q144 T148Q144-E146 PolarHBondContact O-N 2.94Å; E146-T148 PolarHBondContact O-N 3.04Å; E146-T148 VanDerWaalsContact O-N 3.1Å
147R85.3Confident90.9Very high63 Ų6375 Ų7524%0.23841%0.406CS..  trans-9074177.5-73.3-176.266.2-163.212.4113E99 E109 S143 Q144 W145 G149E99-R147 VanDerWaalsContact CD-NH2 3.26Å; E99-R147 IonicContact OE1-CZ 2.96Å; E99-R147 IonicContact OE1-NH2 3.56Å; E99-R147 PolarHBondContact OE1-NH2 3.28Å; E99-R147 IonicContact OE2-CZ 3.35Å; E99-R147 VanDerWaalsContact OE2-CZ 3.24Å; E99-R147 IonicContact OE2-NE 2.79Å; E99-R147 PolarHBondContact OE2-NE 3.42Å; E99-R147 IonicContact OE2-NH2 2.68Å; E99-R147 PolarHBondContact OE2-NH2 3.37Å; E109-R147 IonicContact OE1-CZ 3.13Å; E109-R147 VanDerWaalsContact OE1-CZ 3.27Å; E109-R147 IonicContact OE1-NH1 3.66Å; E109-R147 PolarHBondContact OE1-NH1 3.19Å; E109-R147 IonicContact OE1-NH2 3.41Å; E109-R147 PolarHBondContact OE1-NH2 2.94Å; E109-R147 IonicContact OE2-CZ 2.85Å; E109-R147 IonicContact OE2-NH1 3.7Å; E109-R147 PolarHBondContact OE2-NH1 2.98Å; E109-R147 IonicContact OE2-NH2 3.32Å; S143-R147 WeakPolarHBondContact O-CD 3.44Å; Q144-R147 PolarHBondContact O-N 3.25Å; W145-R147 PolarHBondContact O-N 3.43Å; R147-G149 PolarHBondContact O-N 2.89Å
148T80.3Confident90.9Very high101 Ų10175 Ų7562%0.6240%0.395SS*.  trans-78.74.6177.152.40000113.8R71 E146R71-T148 VanDerWaalsContact NH1-C 3.33Å; R71-T148 PolarHBondContact NH1-O 3.35Å; R71-T148 PolarHBondContact NH1-OG1 3.26Å; R71-T148 VanDerWaalsContact NH2-C 3.26Å; R71-T148 PolarHBondContact NH2-O 2.96Å; R71-T148 PolarHBondContact NH2-OG1 2.8Å; E146-T148 PolarHBondContact O-N 3.04Å; E146-T148 VanDerWaalsContact O-N 3.1Å
149G82.2Confident90.9Very high7 Ų774.1 Ų74.17%0.07239%0.39CS..PPolyproline II helixtrans-82.2135.3-179.800000111.5R106 R147R106-G149 PolarHBondContact NH2-O 2.73Å; R147-G149 PolarHBondContact O-N 2.89Å
150K84.6Confident91Very high138 Ų13876.1 Ų76.160%0.640%0.396SS*.EExtended strand (participates in β ladder)trans-75.5126.5173.3-168.3-172.7171.6179.50108.4F97 N98 E99F97-K150 PolarHBondContact O-N 3.44Å; N98-K150 CarbonylContact C-O 3.6Å; N98-K150 WeakPolarHBondContact CA-O 3.41Å; N98-K150 WeakPolarHBondContact CB-O 3.24Å; E99-K150 PolarHBondContact N-O 2.86Å
151P91.4Very high91.1Very high21 Ų2182.2 Ų82.214%0.13642%0.423CS..EExtended strand (participates in β ladder)trans-65.5156.5169.227.3-31.5000110.1E99 L101 F103 R106 N153E99-P151 HydrophobicContact CG-CB 4.46Å; L101-P151 CarbonylContact O-C 3.58Å; L101-P151 VanDerWaalsContact O-CA 3.27Å; L101-P151 WeakPolarHBondContact O-CA 3.28Å; L101-P151 WeakPolarHBondContact O-CB 3.42Å; F103-P151 HydrophobicContact CB-CB 4.35Å; F103-P151 HydrophobicContact CB-CG 4.31Å; F103-P151 HydrophobicContact CD2-CG 3.78Å; R106-P151 HydrophobicContact CB-CB 4.36Å; P151-N153 PolarHBondContact O-N 3.18Å
152F91.6Very high91.3Very high75 Ų7580.3 Ų80.333%0.32941%0.41SS..EExtended strand (participates in β ladder)trans-62.1135.4172.7-73.9-95.1000109.9I95 N98 E99 L101 F103 P154I95-F152 HydrophobicContact CD1-CE1 3.79Å; I95-F152 HydrophobicContact CD1-CZ 3.66Å; I95-F152 HydrophobicContact CG1-CE1 3.87Å; I95-F152 HydrophobicContact CG1-CZ 3.55Å; N98-F152 HydrophobicContact CB-CD2 4.24Å; N98-F152 HydrophobicContact CB-CE1 4.42Å; N98-F152 HydrophobicContact CB-CE2 3.73Å; N98-F152 HydrophobicContact CB-CZ 3.83Å; N98-F152 WeakPolarHBondContact ND2-CD1 3.12Å; N98-F152 WeakPolarHBondContact ND2-CE1 3.12Å; E99-F152 VanDerWaalsContact O-CD2 3.28Å; E99-F152 WeakPolarHBondContact O-CD2 3.15Å; E99-F152 WeakPolarHBondContact O-CE2 3.29Å; L101-F152 PolarHBondContact O-N 2.93Å; F103-F152 PolarHBondContact N-O 3.09Å; F152-P154 WeakPolarHBondContact O-CD 3.35Å
153N92.2Very high91.4Very high103 Ų10378.7 Ų78.755%0.55139%0.393SS*.PPolyproline II helixtrans-68.8120.9172-169.730000107.7P151P151-N153 PolarHBondContact O-N 3.18Å
154P94.9Very high91.5Very high0 Ų080.5 Ų80.50%040%0.395CS..PPolyproline II helixtrans-64.4146.8-179.3-18.932.3000110.8F103 L104 F152 E158 Q175F103-P154 HydrophobicContact CB-CG 3.71Å; L104-P154 HydrophobicContact CD1-CB 4.18Å; L104-P154 HydrophobicContact CD1-CG 4.5Å; L104-P154 HydrophobicContact CD2-CB 4.49Å; L104-P154 HydrophobicContact CD2-CG 4.14Å; L104-P154 HydrophobicContact CG-CB 3.96Å; L104-P154 HydrophobicContact CG-CG 3.74Å; F152-P154 WeakPolarHBondContact O-CD 3.35Å; P154-E158 VanDerWaalsContact CA-OE2 3.26Å; P154-E158 WeakPolarHBondContact CA-OE2 3.37Å; P154-E158 HydrophobicContact CB-CB 4.15Å; P154-E158 HydrophobicContact CB-CG 4.45Å; P154-Q175 HydrophobicContact CB-CB 3.81Å; P154-Q175 HydrophobicContact CB-CG 3.92Å
155L94.5Very high91.6Very high125 Ų12581 Ų8165%0.65440%0.398SS*.PPolyproline II helixtrans-70.5152.8169-59.1178.7000110G157 E158 Q175L155-G157 PolarHBondContact O-N 3.07Å; L155-E158 HydrophobicContact CB-CB 4.28Å; L155-E158 PolarHBondContact N-OE2 3.4Å; L155-E158 WeakPolarHBondContact O-CB 3.27Å; L155-E158 PolarHBondContact O-N 3.08Å; L155-Q175 WeakPolarHBondContact O-CB 3.43Å; L155-Q175 WeakPolarHBondContact O-CG 3.34Å
156L95.6Very high91.9Very high116 Ų11675.6 Ų75.661%0.60738%0.384SS*.THydrogen-bonded Turntrans-58.9128172.5-176.664.9000109.7E158 H178L156-E158 VanDerWaalsContact C-N 3.25Å; L156-E158 PolarHBondContact O-N 2.98Å; L156-H178 HydrophobicContact CB-CB 4.35Å; L156-H178 HydrophobicContact CD1-CB 4.47Å
157G96.8Very high92.3Very high38 Ų3870.8 Ų70.839%0.39236%0.363SS..THydrogen-bonded Turntrans76.92.9-174.400000114.8L155 T159 Q175L155-G157 PolarHBondContact O-N 3.07Å; G157-T159 PolarHBondContact O-N 3.21Å; G157-Q175 PolarHBondContact N-O 3.36Å
158E98.1Very high92.7Very high58 Ų5870.3 Ų70.327%0.27138%0.377SS..  trans-60.3135.1168.5-174.3-178.9130.900109.4S102 L104 P154 L155 L156 E174 Q175S102-E158 VanDerWaalsContact CB-OE1 3.23Å; S102-E158 WeakPolarHBondContact CB-OE1 3.46Å; S102-E158 PolarHBondContact OG-OE1 3.18Å; L104-E158 HydrophobicContact CD1-CB 4.15Å; L104-E158 HydrophobicContact CD1-CG 3.93Å; L104-E158 WeakPolarHBondContact CD1-O 3.24Å; P154-E158 VanDerWaalsContact CA-OE2 3.26Å; P154-E158 WeakPolarHBondContact CA-OE2 3.37Å; P154-E158 HydrophobicContact CB-CB 4.15Å; P154-E158 HydrophobicContact CB-CG 4.45Å; L155-E158 HydrophobicContact CB-CB 4.28Å; L155-E158 PolarHBondContact N-OE2 3.4Å; L155-E158 WeakPolarHBondContact O-CB 3.27Å; L155-E158 PolarHBondContact O-N 3.08Å; L156-E158 VanDerWaalsContact C-N 3.25Å; L156-E158 PolarHBondContact O-N 2.98Å; E158-E174 CarbonylContact O-C 3.54Å; E158-E174 VanDerWaalsContact O-CA 3.31Å; E158-E174 WeakPolarHBondContact O-CA 3.42Å; E158-Q175 PolarHBondContact O-N 2.91Å
159T98.2Very high93.5Very high89 Ų8966.6 Ų66.655%0.54635%0.353SS..EExtended strand (participates in β ladder)trans-119.4148.8178.160.60000111.3G157 S173 E174G157-T159 PolarHBondContact O-N 3.21Å; T159-S173 CarbonylContact C-O 3.49Å; T159-S173 VanDerWaalsContact CA-O 3.24Å; T159-S173 WeakPolarHBondContact CA-O 3.45Å; T159-E174 HydrophobicContact CG2-CB 4.2Å; T159-E174 HydrophobicContact CG2-CG 4.04Å
160Y98.1Very high94.1Very high57 Ų5773.9 Ų73.922%0.22438%0.378CS..EExtended strand (participates in β ladder)trans-134.8135.1169.6176.7-106.7000110.9Q105 T108 L162 I172 S173Q105-Y160 HydrophobicContact CB-CE1 4.47Å; Q105-Y160 HydrophobicContact CG-CD1 4.07Å; Q105-Y160 HydrophobicContact CG-CD2 3.52Å; Q105-Y160 HydrophobicContact CG-CE1 4.04Å; Q105-Y160 HydrophobicContact CG-CE2 3.51Å; Q105-Y160 HydrophobicContact CG-CG 3.81Å; T108-Y160 HydrophobicContact CG2-CE1 3.92Å; T108-Y160 VanDerWaalsContact OG1-CD1 3.28Å; T108-Y160 WeakPolarHBondContact OG1-CD1 3.32Å; T108-Y160 WeakPolarHBondContact OG1-CE1 3.45Å; Y160-L162 HydrophobicContact CE1-CB 4.05Å; Y160-I172 WeakPolarHBondContact O-CA 3.48Å; Y160-S173 PolarHBondContact N-O 3.36Å; Y160-S173 PolarHBondContact O-N 2.81Å
161E97.1Very high94.7Very high137 Ų13769.7 Ų69.764%0.6436%0.36SS*.EExtended strand (participates in β ladder)trans-121.5146.9175.864.6175.6178.100111.7F171 I172E161-F171 WeakPolarHBondContact CA-O 3.37Å; E161-I172 HydrophobicContact CB-CD1 4.1Å
162L94.9Very high95Very high42 Ų4274.5 Ų74.522%0.2238%0.383CS..EExtended strand (participates in β ladder)trans-141.7121172.6178.364.7000110.2T108 Y160 R164 F169 R170 F171T108-L162 HydrophobicContact CG2-CB 4.05Å; T108-L162 HydrophobicContact CG2-CD2 3.5Å; T108-L162 HydrophobicContact CG2-CG 4.41Å; Y160-L162 HydrophobicContact CE1-CB 4.05Å; L162-R164 HydrophobicContact CD1-CG 4.03Å; L162-R164 HydrophobicContact CD2-CG 4.08Å; L162-R164 HydrophobicContact CG-CG 3.92Å; L162-F169 HydrophobicContact CD2-CE2 4.18Å; L162-F169 HydrophobicContact CD2-CZ 3.99Å; L162-R170 CarbonylContact O-C 3.47Å; L162-R170 WeakPolarHBondContact O-CA 3.43Å; L162-F171 HydrophobicContact CB-CB 4.34Å; L162-F171 PolarHBondContact N-O 2.88Å; L162-F171 PolarHBondContact O-N 3.25Å
163I94Very high95.3Very high26 Ų2671.6 Ų71.613%0.13337%0.372CS..EExtended strand (participates in β ladder)trans-109.1119.2173.2-59.5174.4000108E165 R170I163-E165 HydrophobicContact CG2-CG 3.97Å; I163-R170 HydrophobicContact CG1-CG 4.28Å; I163-R170 HydrophobicContact CG2-CG 4.25Å
164R92.8Very high95.6Very high64 Ų6472.1 Ų72.124%0.24237%0.371CS..EExtended strand (participates in β ladder)trans-124.379.2176-70.4-65.5-61.1-81.61.8109.1L162 D166 L167 G168 F169L162-R164 HydrophobicContact CD1-CG 4.03Å; L162-R164 HydrophobicContact CD2-CG 4.08Å; L162-R164 HydrophobicContact CG-CG 3.92Å; R164-D166 WeakPolarHBondContact CA-OD1 3.36Å; R164-D166 IonicContact CZ-OD1 3.7Å; R164-D166 IonicContact CZ-OD2 3.05Å; R164-D166 IonicContact NE-OD1 2.79Å; R164-D166 PolarHBondContact NE-OD1 3.47Å; R164-D166 IonicContact NE-OD2 3.24Å; R164-D166 PolarHBondContact NE-OD2 2.67Å; R164-D166 IonicContact NH2-OD1 2.81Å; R164-D166 IonicContact NH2-OD2 3.27Å; R164-D166 PolarHBondContact NH2-OD2 3.07Å; R164-D166 PolarHBondContact O-N 3.49Å; R164-L167 HydrophobicContact CB-CB 4.04Å; R164-L167 HydrophobicContact CB-CD1 4.4Å; R164-L167 HydrophobicContact CB-CG 4.35Å; R164-L167 VanDerWaalsContact CZ-CD1 3.46Å; R164-L167 VanDerWaalsContact NH2-CD1 3.34Å; R164-L167 CarbonylContact O-C 3.57Å; R164-L167 PolarHBondContact O-N 3.16Å; R164-G168 PolarHBondContact O-N 3.19Å; R164-F169 CarbonylContact C-O 3.55Å; R164-F169 HydrophobicContact CB-CD1 3.9Å; R164-F169 HydrophobicContact CB-CE1 3.55Å; R164-F169 HydrophobicContact CB-CZ 3.97Å; R164-F169 HydrophobicContact CG-CE1 3.86Å; R164-F169 HydrophobicContact CG-CZ 3.84Å; R164-F169 PolarHBondContact N-O 3.16Å; R164-F169 PolarHBondContact O-N 3.29Å
165E91.3Very high95.7Very high80 Ų8073.8 Ų73.837%0.37438%0.379SS..THydrogen-bonded Turntrans-58.3-34.7175.9-65.9178.4178.100111.7I163 L167 G168I163-E165 HydrophobicContact CG2-CG 3.97Å; E165-L167 PolarHBondContact O-N 3.12Å; E165-G168 PolarHBondContact O-N 3.42Å
166D91.1Very high95.9Very high93 Ų9373.6 Ų73.650%0.49738%0.383SS..THydrogen-bonded Turntrans-64.4-25.6176.264.8-53.4000113.3R164R164-D166 WeakPolarHBondContact CA-OD1 3.36Å; R164-D166 IonicContact CZ-OD1 3.7Å; R164-D166 IonicContact CZ-OD2 3.05Å; R164-D166 IonicContact NE-OD1 2.79Å; R164-D166 PolarHBondContact NE-OD1 3.47Å; R164-D166 IonicContact NE-OD2 3.24Å; R164-D166 PolarHBondContact NE-OD2 2.67Å; R164-D166 IonicContact NH2-OD1 2.81Å; R164-D166 IonicContact NH2-OD2 3.27Å; R164-D166 PolarHBondContact NH2-OD2 3.07Å; R164-D166 PolarHBondContact O-N 3.49Å
167L93.8Very high95.8Very high54 Ų5470.5 Ų70.528%0.28337%0.371SS..THydrogen-bonded Turntrans-106.6-3.2175.2-59.3-178.4000113.4V114 H118 R164 E165 F169V114-L167 HydrophobicContact CG1-CB 3.84Å; V114-L167 HydrophobicContact CG1-CD1 4.38Å; H118-L167 PolarHBondContact NE2-O 3.32Å; R164-L167 HydrophobicContact CB-CB 4.04Å; R164-L167 HydrophobicContact CB-CD1 4.4Å; R164-L167 HydrophobicContact CB-CG 4.35Å; R164-L167 VanDerWaalsContact CZ-CD1 3.46Å; R164-L167 VanDerWaalsContact NH2-CD1 3.34Å; R164-L167 CarbonylContact O-C 3.57Å; R164-L167 PolarHBondContact O-N 3.16Å; E165-L167 PolarHBondContact O-N 3.12Å; L167-F169 HydrophobicContact CB-CD1 3.83Å; L167-F169 HydrophobicContact CB-CE1 3.89Å; L167-F169 HydrophobicContact CD1-CE1 3.9Å
168G94.5Very high95.2Very high52 Ų5272.8 Ų72.854%0.53637%0.371SS..THydrogen-bonded Turntrans70.636.417800000115.2R164 E165R164-G168 PolarHBondContact O-N 3.19Å; E165-G168 PolarHBondContact O-N 3.42Å
169F95.4Very high94.4Very high23 Ų2377 Ų7710%0.10139%0.391CS..EExtended strand (participates in β ladder)trans-141.9158.5173.180.2-85.2000114.2M111 V114 L162 R164 L167 F171M111-F169 HydrophobicContact CB-CD2 4.4Å; M111-F169 HydrophobicContact CB-CE1 4.28Å; M111-F169 HydrophobicContact CB-CE2 3.73Å; M111-F169 HydrophobicContact CB-CZ 3.65Å; M111-F169 HydrophobicContact CE-CD2 4.34Å; M111-F169 HydrophobicContact CG-CE2 4.12Å; V114-F169 HydrophobicContact CB-CD1 4.27Å; V114-F169 HydrophobicContact CG1-CD1 3.77Å; V114-F169 HydrophobicContact CG1-CE1 4.01Å; V114-F169 HydrophobicContact CG2-CB 4.43Å; V114-F169 HydrophobicContact CG2-CD1 4.25Å; V114-F169 HydrophobicContact CG2-CG 4.49Å; L162-F169 HydrophobicContact CD2-CE2 4.18Å; L162-F169 HydrophobicContact CD2-CZ 3.99Å; R164-F169 CarbonylContact C-O 3.55Å; R164-F169 HydrophobicContact CB-CD1 3.9Å; R164-F169 HydrophobicContact CB-CE1 3.55Å; R164-F169 HydrophobicContact CB-CZ 3.97Å; R164-F169 HydrophobicContact CG-CE1 3.86Å; R164-F169 HydrophobicContact CG-CZ 3.84Å; R164-F169 PolarHBondContact N-O 3.16Å; R164-F169 PolarHBondContact O-N 3.29Å; L167-F169 HydrophobicContact CB-CD1 3.83Å; L167-F169 HydrophobicContact CB-CE1 3.89Å; L167-F169 HydrophobicContact CD1-CE1 3.9Å; F169-F171 HydrophobicContact CD2-CB 4.2Å; F169-F171 HydrophobicContact CE2-CB 4.01Å
170R95.9Very high93.5Very high161 Ų16182.1 Ų82.161%0.60843%0.425SS*.EExtended strand (participates in β ladder)trans-125.3142.3169.2-57.7-177.8-178.3-152.8-8107.8E54 L162 I163E54-R170 IonicContact OE1-NH2 2.65Å; E54-R170 IonicContact OE2-CZ 2.74Å; E54-R170 IonicContact OE2-NH1 3.72Å; E54-R170 PolarHBondContact OE2-NH1 3.02Å; E54-R170 VanDerWaalsContact OE2-NH1 3.13Å; E54-R170 IonicContact OE2-NH2 3.97Å; E54-R170 PolarHBondContact OE2-NH2 3.17Å; L162-R170 CarbonylContact O-C 3.47Å; L162-R170 WeakPolarHBondContact O-CA 3.43Å; I163-R170 HydrophobicContact CG1-CG 4.28Å; I163-R170 HydrophobicContact CG2-CG 4.25Å
171F97.1Very high93.2Very high49 Ų4983.4 Ų83.422%0.21544%0.435CS..EExtended strand (participates in β ladder)trans-133.8140-178-177-83.5000109.8I107 T108 M111 E161 L162 F169I107-F171 HydrophobicContact CD1-CZ 4.44Å; I107-F171 HydrophobicContact CG1-CZ 4.42Å; T108-F171 HydrophobicContact CG2-CB 4.29Å; T108-F171 HydrophobicContact CG2-CD1 3.69Å; T108-F171 HydrophobicContact CG2-CD2 4.32Å; T108-F171 HydrophobicContact CG2-CE1 4.04Å; T108-F171 HydrophobicContact CG2-CG 3.84Å; T108-F171 HydrophobicContact CG2-CZ 4.5Å; T108-F171 WeakPolarHBondContact OG1-CD1 3.31Å; T108-F171 WeakPolarHBondContact OG1-CE1 3.37Å; M111-F171 HydrophobicContact CG-CD2 4Å; M111-F171 HydrophobicContact CG-CE2 4.4Å; E161-F171 WeakPolarHBondContact CA-O 3.37Å; L162-F171 HydrophobicContact CB-CB 4.34Å; L162-F171 PolarHBondContact N-O 2.88Å; L162-F171 PolarHBondContact O-N 3.25Å; F169-F171 HydrophobicContact CD2-CB 4.2Å; F169-F171 HydrophobicContact CE2-CB 4.01Å
172I97.8Very high93Very high123 Ų12380.5 Ų80.563%0.63143%0.425SS*.EExtended strand (participates in β ladder)trans-136137.2173.7-175.765.2000108.3Y160 E161Y160-I172 WeakPolarHBondContact O-CA 3.48Å; E161-I172 HydrophobicContact CB-CD1 4.1Å
173S97.8Very high92.9Very high14 Ų1482.7 Ų82.710%0.09844%0.436CS..EExtended strand (participates in β ladder)trans-139.5152171580000111.1T159 Y160T159-S173 CarbonylContact C-O 3.49Å; T159-S173 VanDerWaalsContact CA-O 3.24Å; T159-S173 WeakPolarHBondContact CA-O 3.45Å; Y160-S173 PolarHBondContact N-O 3.36Å; Y160-S173 PolarHBondContact O-N 2.81Å
174E98.3Very high92.9Very high113 Ų11386 Ų8653%0.52845%0.454SS..EExtended strand (participates in β ladder)trans-140.1140.2179.1-178.2178.9175.700109.4E158 T159 V176E158-E174 CarbonylContact O-C 3.54Å; E158-E174 VanDerWaalsContact O-CA 3.31Å; E158-E174 WeakPolarHBondContact O-CA 3.42Å; T159-E174 HydrophobicContact CG2-CB 4.2Å; T159-E174 HydrophobicContact CG2-CG 4.04Å; E174-V176 HydrophobicContact CB-CG1 4.34Å; E174-V176 HydrophobicContact CG-CG1 4.27Å; E174-V176 PolarHBondContact O-N 3.37Å
175Q97.7Very high92.9Very high36 Ų3687.4 Ų87.417%0.16847%0.467CS..  trans-79.596.9170-173.970.520.100110P154 L155 G157 E158 S177P154-Q175 HydrophobicContact CB-CB 3.81Å; P154-Q175 HydrophobicContact CB-CG 3.92Å; L155-Q175 WeakPolarHBondContact O-CB 3.43Å; L155-Q175 WeakPolarHBondContact O-CG 3.34Å; G157-Q175 PolarHBondContact N-O 3.36Å; E158-Q175 PolarHBondContact O-N 2.91Å; Q175-S177 PolarHBondContact NE2-O 3.5Å
176V97.3Very high93Very high121 Ų12187.9 Ų87.973%0.73347%0.473SS*.  trans-86-15-173.1-60.90000115E174E174-V176 HydrophobicContact CB-CG1 4.34Å; E174-V176 HydrophobicContact CG-CG1 4.27Å; E174-V176 PolarHBondContact O-N 3.37Å
177S93.3Very high93.1Very high50 Ų5087.5 Ų87.535%0.3547%0.471SS..  trans-148.8143.8176.9-177.60000111.1Q175 H179Q175-S177 PolarHBondContact NE2-O 3.5Å; S177-H179 PolarHBondContact OG-O 3.49Å
178H84.9Confident93.1Very high86 Ų8690.1 Ų90.140%0.39849%0.486SS..SBendtrans-105.9-23.5177.2-164.474.1000113.1L156L156-H178 HydrophobicContact CB-CB 4.35Å; L156-H178 HydrophobicContact CD1-CB 4.47Å
179H81.1Confident92.9Very high148 Ų14893.3 Ų93.369%0.68548%0.482SS*.  trans-123.3112.6174.3-59.5-59000106.2S177S177-H179 PolarHBondContact OG-O 3.49Å
180P78.9Confident92.7Very high195 Ų19599.6 Ų99.6100%1.26652%0.516SS*.  trans-550-167.724.4-34.6000112.8

Retrieved 180 of 180 residues in 87.8 ms (Link to these results)