A0A093JP50_STRCA Loading...

Glutaredoxin domain-containing cysteine-rich protein 1

AlphaFold DB , UniProt , Accession A0A093JP50, Species STRCA (Struthio camelus australis), Gene n/a, Length 293 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M39.4Very low38.2Very low220 Ų220168.6 Ų168.6100%1.08485%0.846SS**  0135.30-66.8155.472.900106.7
2F34.1Very low38.9Very low190 Ų190174.8 Ų174.883%0.83385%0.852SS**  cis-118.61675.7-85.1-98.2000112.3
3K35.1Very low39.7Very low194 Ų194173.8 Ų173.884%0.84385%0.852SS**  trans-81142.2162.8-67.4179.2177.1179.70108.9
4S35.8Very low40.6Very low115 Ų115168.9 Ų168.980%0.80484%0.844SS**  trans-88.8104165.351.20000109.8M6S4-M6 PolarHBondContact O-N 3.28Å
5E38.6Very low41.6Very low167 Ų167173.7 Ų173.778%0.7885%0.848SS**  trans-77.4113172.5-65-172.5155.200109.9K7E5-K7 PolarHBondContact O-N 3.36Å
6M43.6Very low43.5Very low183 Ų183172.8 Ų172.890%0.90184%0.838SS**  trans-74.9120.1164.6-65.2178.671.900107.9S4S4-M6 PolarHBondContact O-N 3.28Å
7K37.8Very low44.4Very low200 Ų200168 Ų16887%0.8782%0.821SS**  trans-108.4119.6178-144.9165.3-169.9167.20109.6E5E5-K7 PolarHBondContact O-N 3.36Å
8T38.3Very low46.1Very low125 Ų125167.2 Ų167.277%0.76781%0.808SS**  trans-73.1173.2-166.7-31.20000113
9E37.1Very low47.5Very low173 Ų173165.3 Ų165.381%0.80880%0.796SS**  trans-37.8145-172.8-67.3166.889.300117.5E11E9-E11 PolarHBondContact O-N 3.24Å
10S38.7Very low49.1Very low118 Ų118164.9 Ų164.983%0.82579%0.785SS**  trans-80.598.2164.1-178.70000109.4R12S10-R12 PolarHBondContact O-N 3.41Å; S10-R12 VanDerWaalsContact O-N 3.14Å
11E41.7Very low50.5Low170 Ų170161 Ų16179%0.79477%0.772SS**  trans-57.7117.2170.4-76.5-165.6117.300110.6E9 L13E9-E11 PolarHBondContact O-N 3.24Å; E11-L13 VanDerWaalsContact C-N 3.3Å; E11-L13 PolarHBondContact O-N 3.01Å
12R46.8Very low52.7Low243 Ų243152.7 Ų152.792%0.91774%0.739SS**  trans-86.970.5-172.2-160.2-179-162177.36.3110.6S10 S14S10-R12 PolarHBondContact O-N 3.41Å; S10-R12 VanDerWaalsContact O-N 3.14Å; R12-S14 PolarHBondContact O-N 3.1Å; R12-S14 VanDerWaalsContact O-N 3.1Å
13L49.7Very low54.7Low161 Ų161144.9 Ų144.984%0.84371%0.708SS**  trans-36.9114.1-179-73.8172000112.2E11 R15E11-L13 VanDerWaalsContact C-N 3.3Å; E11-L13 PolarHBondContact O-N 3.01Å; L13-R15 PolarHBondContact O-N 2.95Å
14S52.1Low56.2Low106 Ų106141.3 Ų141.374%0.74171%0.707SS**  trans-67.6128.5-177.152.30000110.2R12 K16R12-S14 PolarHBondContact O-N 3.1Å; R12-S14 VanDerWaalsContact O-N 3.1Å; S14-K16 PolarHBondContact O-N 3.19Å
15R55.3Low57.2Low241 Ų241144.2 Ų144.291%0.90971%0.708SS**  trans-71.394.9-179.1-70.7-177.8175.2179.6-2.6109.8L13L13-R15 PolarHBondContact O-N 2.95Å
16K72.7Confident59.1Low159 Ų159139.3 Ų139.369%0.69169%0.692SS**  trans-56.5141170.4-65.4-166.9177-170.30110.3S14 D36S14-K16 PolarHBondContact O-N 3.19Å; K16-D36 IonicContact NZ-OD1 2.61Å; K16-D36 PolarHBondContact NZ-OD1 2.79Å
17V58.5Low60.5Low91 Ų91133 Ų13355%0.55267%0.674SS**  trans-125.4121.3177.3-173.10000109.1F19V17-F19 HydrophobicContact CB-CD2 4.43Å; V17-F19 HydrophobicContact CB-CE2 3.76Å; V17-F19 HydrophobicContact CB-CZ 4.11Å; V17-F19 HydrophobicContact CG1-CD2 4.11Å; V17-F19 HydrophobicContact CG1-CE1 4.01Å; V17-F19 HydrophobicContact CG1-CE2 3.52Å; V17-F19 HydrophobicContact CG1-CZ 3.47Å; V17-F19 VanDerWaalsContact CG1-CZ 3.47Å
18R75.3Confident62.2Low153 Ų153132.7 Ų132.758%0.57767%0.667SS**  trans-88.3117.3177.5177.8178.9175.21605.4109.4E32 Y34R18-E32 IonicContact CZ-OE1 3.25Å; R18-E32 VanDerWaalsContact CZ-OE1 3.25Å; R18-E32 IonicContact CZ-OE2 3.54Å; R18-E32 VanDerWaalsContact NE-CD 3.32Å; R18-E32 IonicContact NE-OE1 2.8Å; R18-E32 PolarHBondContact NE-OE1 2.9Å; R18-E32 IonicContact NE-OE2 3.62Å; R18-E32 IonicContact NH2-OE1 2.87Å; R18-E32 PolarHBondContact NH2-OE1 3.47Å; R18-E32 IonicContact NH2-OE2 2.81Å; R18-E32 PolarHBondContact NH2-OE2 3.45Å; R18-Y34 HydrophobicContact CG-CE1 4.31Å; R18-Y34 PolarHBondContact NE-OH 2.76Å; R18-Y34 PolarHBondContact NH2-OH 2.92Å
19F72.6Confident64Low132 Ų132129.8 Ų129.858%0.57965%0.649SS**EExtended strand (participates in β ladder)trans-104.6120.8176.5-67.6-81.4000110.7V17 V33V17-F19 HydrophobicContact CB-CD2 4.43Å; V17-F19 HydrophobicContact CB-CE2 3.76Å; V17-F19 HydrophobicContact CB-CZ 4.11Å; V17-F19 HydrophobicContact CG1-CD2 4.11Å; V17-F19 HydrophobicContact CG1-CE1 4.01Å; V17-F19 HydrophobicContact CG1-CE2 3.52Å; V17-F19 HydrophobicContact CG1-CZ 3.47Å; V17-F19 VanDerWaalsContact CG1-CZ 3.47Å; F19-V33 PolarHBondContact O-N 3.02Å
20R78.1Confident65.7Low156 Ų156127.3 Ų127.359%0.58964%0.641SS**EExtended strand (participates in β ladder)trans-117.3112.1178.5177174.7161.4156.5-2.5109.5V29 E32R20-V29 HydrophobicContact CG-CG1 4.03Å; R20-V29 HydrophobicContact CG-CG2 4.31Å; R20-V29 VanDerWaalsContact CZ-CG2 3.43Å; R20-V29 VanDerWaalsContact NE-CG2 3.33Å; R20-E32 HydrophobicContact CB-CG 4.34Å
21V80.3Confident67.5Low83 Ų83128.3 Ų128.350%0.50363%0.63SS.*EExtended strand (participates in β ladder)trans-97.1120.3176.9-1760000108.5L30 K31V21-L30 PolarHBondContact O-N 3.31Å; V21-K31 PolarHBondContact N-O 3.23Å; V21-K31 PolarHBondContact O-N 3.36Å; V21-K31 VanDerWaalsContact O-N 3.16Å
22A83.8Confident68.9Low47 Ų47123 Ų12339%0.38861%0.606SS.*EExtended strand (participates in β ladder)trans-117.4152.7179.400000111.4S24 R28A22-S24 PolarHBondContact O-N 3.01Å; A22-R28 CarbonylContact C-O 3.6Å; A22-R28 VanDerWaalsContact CA-O 3.32Å; A22-R28 WeakPolarHBondContact CA-O 3.43Å
23S76.7Confident70.1Confident25 Ų25114.5 Ų114.518%0.17558%0.581CS.*  trans-64.3126.5173.4178.10000110.2H25 S26 G27 R28S23-H25 PolarHBondContact O-N 2.84Å; S23-H25 PolarHBondContact OG-N 3.45Å; S23-S26 WeakPolarHBondContact CB-OG 3.29Å; S23-S26 PolarHBondContact OG-N 3.18Å; S23-S26 PolarHBondContact OG-OG 3.36Å; S23-G27 WeakPolarHBondContact O-CA 3.42Å; S23-G27 PolarHBondContact O-N 3.15Å; S23-R28 PolarHBondContact N-O 3.13Å
24S67.9Low70.5Confident119 Ų119112.7 Ų112.783%0.83256%0.563SS**THydrogen-bonded Turntrans-64.2-18.417248.50000113.6A22A22-S24 PolarHBondContact O-N 3.01Å
25H55.8Low70.2Confident177 Ų177112 Ų11282%0.81956%0.564SS**THydrogen-bonded Turntrans-95.1-38.9-178.3-175.4-108.1000113S23S23-H25 PolarHBondContact O-N 2.84Å; S23-H25 PolarHBondContact OG-N 3.45Å
26S79.1Confident70Confident64 Ų64105.2 Ų105.245%0.44855%0.546SS..THydrogen-bonded Turntrans-119.5-4.5-172.5670000115.6S23 R28S23-S26 WeakPolarHBondContact CB-OG 3.29Å; S23-S26 PolarHBondContact OG-N 3.18Å; S23-S26 PolarHBondContact OG-OG 3.36Å; S26-R28 PolarHBondContact O-N 3.29Å
27G72.4Confident68.6Low51 Ų51101.1 Ų101.153%0.52655%0.548SS..  trans67-9.2-17500000115.3S23S23-G27 WeakPolarHBondContact O-CA 3.42Å; S23-G27 PolarHBondContact O-N 3.15Å
28R73.5Confident67.5Low192 Ų192106.5 Ų106.573%0.72557%0.568SS**  trans-61140.9176.4-65.4-176.1178.3-176.9-0.9110.2A22 S23 S26 L30A22-R28 CarbonylContact C-O 3.6Å; A22-R28 VanDerWaalsContact CA-O 3.32Å; A22-R28 WeakPolarHBondContact CA-O 3.43Å; S23-R28 PolarHBondContact N-O 3.13Å; S26-R28 PolarHBondContact O-N 3.29Å; R28-L30 PolarHBondContact O-N 3.14Å
29V76.8Confident65.9Low64 Ų64104.5 Ų104.539%0.38858%0.583SS.*EExtended strand (participates in β ladder)trans-69.8125.5174.7-171.50000108.4R20 E32R20-V29 HydrophobicContact CG-CG1 4.03Å; R20-V29 HydrophobicContact CG-CG2 4.31Å; R20-V29 VanDerWaalsContact CZ-CG2 3.43Å; R20-V29 VanDerWaalsContact NE-CG2 3.33Å; V29-E32 HydrophobicContact CG1-CB 4.35Å
30L72.6Confident64Low122 Ų122101.7 Ų101.764%0.63959%0.592SS**EExtended strand (participates in β ladder)trans-94.4-35.2176.1-63.9177.5000111.1V21 R28V21-L30 PolarHBondContact O-N 3.31Å; R28-L30 PolarHBondContact O-N 3.14Å
31K76.3Confident61.8Low139 Ų139102.5 Ų102.560%0.60461%0.608SS**EExtended strand (participates in β ladder)trans-155135.7171.7-159.3169.3-172.71720110.3V21 V33V21-K31 PolarHBondContact N-O 3.23Å; V21-K31 PolarHBondContact O-N 3.36Å; V21-K31 VanDerWaalsContact O-N 3.16Å; K31-V33 HydrophobicContact CD-CG2 4.01Å; K31-V33 HydrophobicContact CG-CG2 3.93Å
32E71.8Confident59.6Low58 Ų58104.2 Ų104.227%0.27162%0.623SS.*EExtended strand (participates in β ladder)trans-111.8132.8161.7-165.8161-117.600107.6R18 R20 V29 Y34R18-E32 IonicContact CZ-OE1 3.25Å; R18-E32 VanDerWaalsContact CZ-OE1 3.25Å; R18-E32 IonicContact CZ-OE2 3.54Å; R18-E32 VanDerWaalsContact NE-CD 3.32Å; R18-E32 IonicContact NE-OE1 2.8Å; R18-E32 PolarHBondContact NE-OE1 2.9Å; R18-E32 IonicContact NE-OE2 3.62Å; R18-E32 IonicContact NH2-OE1 2.87Å; R18-E32 PolarHBondContact NH2-OE1 3.47Å; R18-E32 IonicContact NH2-OE2 2.81Å; R18-E32 PolarHBondContact NH2-OE2 3.45Å; R20-E32 HydrophobicContact CB-CG 4.34Å; V29-E32 HydrophobicContact CG1-CB 4.35Å; E32-Y34 HydrophobicContact CB-CE2 4.3Å; E32-Y34 VanDerWaalsContact CD-OH 3.32Å; E32-Y34 HydrophobicContact CG-CD2 4.43Å; E32-Y34 HydrophobicContact CG-CE2 3.68Å; E32-Y34 WeakPolarHBondContact OE2-CE2 3.28Å; E32-Y34 PolarHBondContact OE2-OH 3.09Å
33V70.1Confident57.4Low65 Ų65108.9 Ų108.939%0.39464%0.641SS.*EExtended strand (participates in β ladder)trans-117.6115.4-175.2-177.70000108.9F19 K31F19-V33 PolarHBondContact O-N 3.02Å; K31-V33 HydrophobicContact CD-CG2 4.01Å; K31-V33 HydrophobicContact CG-CG2 3.93Å
34Y59.4Low55.3Low123 Ų123114.6 Ų114.648%0.48267%0.67SS.*  trans-99.8128.2166.4-62.2-90.3000107.5R18 E32R18-Y34 HydrophobicContact CG-CE1 4.31Å; R18-Y34 PolarHBondContact NE-OH 2.76Å; R18-Y34 PolarHBondContact NH2-OH 2.92Å; E32-Y34 HydrophobicContact CB-CE2 4.3Å; E32-Y34 VanDerWaalsContact CD-OH 3.32Å; E32-Y34 HydrophobicContact CG-CD2 4.43Å; E32-Y34 HydrophobicContact CG-CE2 3.68Å; E32-Y34 WeakPolarHBondContact OE2-CE2 3.28Å; E32-Y34 PolarHBondContact OE2-OH 3.09Å
35A45Very low53.9Low91 Ų91114.5 Ų114.575%0.75267%0.669SS**  trans-100.274.617400000108.2
36D51.6Low52.7Low99 Ų99115.3 Ų115.353%0.52967%0.673SS.*  trans-102.6145.8170.8-70.5-63.3000109.3K16K16-D36 IonicContact NZ-OD1 2.61Å; K16-D36 PolarHBondContact NZ-OD1 2.79Å
37G44.3Very low50.2Low72 Ų72123.1 Ų123.174%0.74269%0.694SS**  trans-91.5137.5-178.200000111.6
38E35.3Very low48.2Very low205 Ų205125 Ų12596%0.95871%0.705SS**SBendtrans68.2168.5171.5-52.4-168144.600115.6
39A40.8Very low46.1Very low110 Ų110121.5 Ų121.591%0.90971%0.71SS**  trans-112.6162-148.600000114.8
40G33.4Very low43.7Very low73 Ų73123.6 Ų123.675%0.75373%0.727SS**  trans-170.7135.2168.700000111.3
41D31.1Very low41.7Very low174 Ų174122.2 Ų122.293%0.9373%0.728SS**  trans-80.2153.3-176.6-54.8-75.9000113.5
42S33.8Very low39.3Very low118 Ų118123.4 Ų123.483%0.82574%0.736SS**  trans-162.2144.6140.1-168.70000111.2
43L38.7Very low37.2Very low146 Ų146127.7 Ų127.776%0.76477%0.766SS**  trans-76.7164.3162.6-56.8168.1000108.2
44D31.7Very low35Very low145 Ų145131.4 Ų131.478%0.77578%0.784SS**  -179.1167.969.2-114.7-29000114.7
45S38Very low33.5Very low116 Ų116133.9 Ų133.981%0.81180%0.8SS**  trans77.9142.8153.472.10000121.4
46E30.9Very low32.4Very low194 Ų194135.2 Ų135.291%0.90780%0.799SS**  trans-106.1169-175.4-52.1153.9103.500111.3
47Y27.7Very low31.2Very low228 Ų228135.9 Ų135.989%0.89481%0.811SS**  trans176113.8131.4-172.4-103.5000113
48A29.1Very low30.2Very low92 Ų92144.6 Ų144.676%0.7682%0.822SS**  trans176.4109.5144.500000113.2
49S29.4Very low29.7Very low117 Ų117143.1 Ų143.182%0.81882%0.82SS**  trans-77.4164153.6-80.10000110.1
50S26.2Very low29Very low108 Ų108143.3 Ų143.376%0.75581%0.814SS**  cis-167.5-158.4-9.649.70000106.2
51S30.8Very low28.5Very low94 Ų94148.4 Ų148.466%0.65782%0.819SS**  cis-160.2167.62.851.70000111.4
52E26Very low28.3Very low163 Ų163146.9 Ų146.976%0.76282%0.815SS**  trans-47.5157.4170.9-3.7-69.992.800116.8
53T28Very low27.8Very low149 Ų149150.4 Ų150.491%0.91482%0.819SS**  -171.7149.6112.917.40000113.8
54D24.3Very low27.2Very low142 Ų142147.2 Ų147.276%0.75982%0.82SS**  trans-87.2154.6178.1-101-55.7000114.1
55Q27.1Very low26.9Very low175 Ų175147.7 Ų147.782%0.81882%0.818SS**  -179.5119.4118.7-100156.59900117.8
56T22.8Very low26.4Very low119 Ų119149.3 Ų149.373%0.7381%0.813SS**  trans17127.5135.6600000122.8
57S25.6Very low26.1Very low114 Ų114147.6 Ų147.680%0.79781%0.81SS**  -163.9116.9128.131.40000108.8
58R24Very low25.8Very low254 Ų254139.9 Ų139.996%0.95880%0.8SS**  76.5116.678.9-89.5-168.3171.7-179.5-1.5114.8
59L24.2Very low25.6Very low175 Ų175144.5 Ų144.592%0.91681%0.805SS**  trans-80158.4171.3-63.3163.1000111.3
60S26.7Very low25.4Very low113 Ų113145 Ų14579%0.7980%0.803SS**  trans-157.8125.9157.654.10000110
61E23.4Very low25.3Very low181 Ų181143.3 Ų143.385%0.84680%0.803SS**  trans-79.3162.4178.9-57.8118.1127.600113.4
62V25.9Very low25.2Very low141 Ų141144.1 Ų144.186%0.85581%0.808SS**  trans-141.3107.7161.6-175.50000109.5
63E23.9Very low25.2Very low193 Ų193145.8 Ų145.890%0.90282%0.816SS**  trans-97.9140.7158.7-68.8-163115.100109.4
64G25.6Very low25.2Very low78 Ų78144.5 Ų144.580%0.80481%0.812SS**  trans-158.730.6-16800000115.7
65Q26.4Very low25.4Very low156 Ų156144.4 Ų144.473%0.72981%0.811SS**  trans-16.1145.5166.3-144.7174.258.800119.5
66Q26.1Very low25.5Very low150 Ų150145.2 Ų145.270%0.70182%0.815SS**  trans60.1144.4155.952.4-174.5-11.800119.8
67N23.9Very low26.3Very low157 Ų157146.6 Ų146.684%0.8482%0.818SS**  cis-165.2170.6-8.7-97.2-20.6000107.9
68G23.5Very low27Very low66 Ų66150 Ų15068%0.6882%0.821SS**  cis157.7160.3-5.400000113.5
69H23.4Very low27.9Very low189 Ų189144.2 Ų144.288%0.87581%0.81SS**  trans84154.7167.1-147.8-89.7000121.4
70V26.3Very low28.6Very low128 Ų128144.7 Ų144.778%0.77681%0.807SS**  trans71.1121.8-178.1-166.40000115.2
71G24.2Very low29.2Very low73 Ų73145.9 Ų145.975%0.75380%0.8SS**  cis136.490.8-6.900000113.3
72S27.5Very low30.2Very low110 Ų110141.9 Ų141.977%0.76979%0.785SS**  trans-157.1121.1166.4-169.90000109.2
73E26.9Very low31.1Very low199 Ų199140.3 Ų140.393%0.9377%0.771SS**  trans-95.1117.9177.4-63.4171.3133.500109
74C26.5Very low32Very low121 Ų121135.3 Ų135.382%0.81875%0.75SS**  trans-135.993.1169.3-68.80000108.5
75D29Very low33.2Very low140 Ų140135.5 Ų135.575%0.74973%0.733SS**  trans-94.1105.3172.9-172.55.9000108.7N77D75-N77 PolarHBondContact OD1-ND2 3.26Å
76E30.4Very low34.3Very low193 Ų193132.7 Ų132.790%0.90272%0.721SS**  trans-141.595.7164.4-75.2-159.4140.600110
77N39.1Very low35.2Very low147 Ų147129.5 Ų129.579%0.78671%0.709SS**  trans-9093.2166.6-78.4-93000109.8D75D75-N77 PolarHBondContact OD1-ND2 3.26Å
78E40.9Very low36.3Very low186 Ų186125.1 Ų125.187%0.86969%0.688SS**  trans-157.798.6165.4-119.7168.2-135.800112.1
79N41.3Very low37.3Very low133 Ų133130 Ų13071%0.71169%0.685SS**  trans-154-13.3171.1-154.122.6000114.6Q81N79-Q81 VanDerWaalsContact C-N 3.28Å; N79-Q81 PolarHBondContact O-N 3.42Å
80E40.5Very low38.2Very low184 Ų184124.2 Ų124.286%0.8667%0.671SS**Hα-helixtrans-75.3-13.8-177.9-59.3-164.5127.700114.1
81Q37.8Very low39.1Very low139 Ų139120.9 Ų120.965%0.6565%0.65SS**Hα-helixtrans-80.3-30.1-173.6-135.871.332.300113.6N79N79-Q81 VanDerWaalsContact C-N 3.28Å; N79-Q81 PolarHBondContact O-N 3.42Å
82D44.8Very low40Very low97 Ų97125.7 Ų125.752%0.51965%0.651SS.*Hα-helixtrans-85.7-34.9-169.2-90.7-44.3000114.2L84 L85 I86D82-L84 PolarHBondContact O-N 2.97Å; D82-L85 WeakPolarHBondContact O-CA 3.27Å; D82-L85 VanDerWaalsContact O-CB 3.29Å; D82-L85 WeakPolarHBondContact O-CB 3.49Å; D82-L85 PolarHBondContact O-N 3.14Å; D82-I86 WeakPolarHBondContact O-CG1 3.14Å; D82-I86 PolarHBondContact O-N 3.42Å
83D45.9Very low40.7Very low107 Ų107128.4 Ų128.457%0.57265%0.651SS**Hα-helixtrans-60-37.6175.3-88.1-23.4000111.9L85 I86 L87D83-L85 VanDerWaalsContact C-N 3.29Å; D83-L85 PolarHBondContact O-N 2.82Å; D83-I86 PolarHBondContact O-N 3.34Å; D83-L87 VanDerWaalsContact O-CD1 3.29Å; D83-L87 WeakPolarHBondContact O-CD1 3.44Å; D83-L87 PolarHBondContact O-N 2.8Å
84L42.3Very low41.5Very low89 Ų89129.1 Ų129.147%0.46665%0.645SS.*Hα-helixtrans-60.8-39.9174.2-16476.5000111.5D82 V88 F131D82-L84 PolarHBondContact O-N 2.97Å; L84-V88 VanDerWaalsContact O-CG2 3.28Å; L84-V88 WeakPolarHBondContact O-CG2 3.29Å; L84-V88 PolarHBondContact O-N 3.47Å; L84-V88 VanDerWaalsContact O-N 3.1Å; L84-F131 HydrophobicContact CD1-CE1 3.77Å; L84-F131 HydrophobicContact CD1-CE2 3.91Å; L84-F131 HydrophobicContact CD1-CZ 3.39Å; L84-F131 HydrophobicContact CG-CZ 4.3Å
85L49.5Very low42.5Very low82 Ų82127 Ų12743%0.42964%0.643SS.*Hα-helixtrans-68.6-34.7176-94.7157.8000112.4D82 D83 R89D82-L85 WeakPolarHBondContact O-CA 3.27Å; D82-L85 VanDerWaalsContact O-CB 3.29Å; D82-L85 WeakPolarHBondContact O-CB 3.49Å; D82-L85 PolarHBondContact O-N 3.14Å; D83-L85 VanDerWaalsContact C-N 3.29Å; D83-L85 PolarHBondContact O-N 2.82Å; L85-R89 VanDerWaalsContact O-CG 3.27Å; L85-R89 WeakPolarHBondContact O-CG 3.5Å; L85-R89 PolarHBondContact O-N 3.48Å; L85-R89 VanDerWaalsContact O-N 3.14Å
86I50Low43.3Very low96 Ų96126.8 Ų126.849%0.49264%0.636SS.*Hα-helixtrans-67.7-48175.8-66.6168.5000110.7D82 D83 V88 R89 A90D82-I86 WeakPolarHBondContact O-CG1 3.14Å; D82-I86 PolarHBondContact O-N 3.42Å; D83-I86 PolarHBondContact O-N 3.34Å; I86-V88 PolarHBondContact O-N 3.49Å; I86-R89 WeakPolarHBondContact O-CB 3.38Å; I86-R89 PolarHBondContact O-N 3.38Å; I86-A90 PolarHBondContact O-N 2.96Å; I86-A90 VanDerWaalsContact O-N 3.13Å
87L46Very low44.2Very low83 Ų83121.3 Ų121.344%0.43563%0.632SS.*Hα-helixtrans-62.2-42.1176.6-88.886000112.3D83 R89 A90 T91 F131D83-L87 VanDerWaalsContact O-CD1 3.29Å; D83-L87 WeakPolarHBondContact O-CD1 3.44Å; D83-L87 PolarHBondContact O-N 2.8Å; L87-R89 VanDerWaalsContact C-N 3.28Å; L87-R89 PolarHBondContact O-N 2.73Å; L87-A90 PolarHBondContact O-N 3.2Å; L87-A90 VanDerWaalsContact O-N 3.15Å; L87-T91 PolarHBondContact O-N 3.21Å; L87-T91 VanDerWaalsContact O-N 3.14Å; L87-F131 HydrophobicContact CB-CE1 4.33Å; L87-F131 HydrophobicContact CD2-CE1 4.01Å
88V45.8Very low44.9Very low66 Ų66118.5 Ų118.540%0.462%0.62SS.*Hα-helixtrans-60.5-38.9177.1168.50000111.3L84 I86 T91L84-V88 VanDerWaalsContact O-CG2 3.28Å; L84-V88 WeakPolarHBondContact O-CG2 3.29Å; L84-V88 PolarHBondContact O-N 3.47Å; L84-V88 VanDerWaalsContact O-N 3.1Å; I86-V88 PolarHBondContact O-N 3.49Å; V88-T91 PolarHBondContact O-N 2.95Å; V88-T91 PolarHBondContact O-OG1 3.11Å
89R44.8Very low45.5Very low167 Ų167119.2 Ų119.263%0.6362%0.62SS**Hα-helixtrans-62.3-43.8174.2-72.5167.1-175.4175.45.5111.9L85 I86 L87 T91 K92L85-R89 VanDerWaalsContact O-CG 3.27Å; L85-R89 WeakPolarHBondContact O-CG 3.5Å; L85-R89 PolarHBondContact O-N 3.48Å; L85-R89 VanDerWaalsContact O-N 3.14Å; I86-R89 WeakPolarHBondContact O-CB 3.38Å; I86-R89 PolarHBondContact O-N 3.38Å; L87-R89 VanDerWaalsContact C-N 3.28Å; L87-R89 PolarHBondContact O-N 2.73Å; R89-T91 PolarHBondContact O-N 3.21Å; R89-K92 VanDerWaalsContact O-CB 3.25Å; R89-K92 WeakPolarHBondContact O-CB 3.45Å; R89-K92 PolarHBondContact O-N 3.19Å
90A43.1Very low46.4Very low69 Ų69122.6 Ų122.657%0.5762%0.623SS**Hα-helixtrans-63-37179.600000113.5I86 L87 K92 E93I86-A90 PolarHBondContact O-N 2.96Å; I86-A90 VanDerWaalsContact O-N 3.13Å; L87-A90 PolarHBondContact O-N 3.2Å; L87-A90 VanDerWaalsContact O-N 3.15Å; A90-K92 PolarHBondContact O-N 3.47Å; A90-E93 PolarHBondContact O-N 3.31Å
91T45.1Very low47.5Very low57 Ų57117.7 Ų117.735%0.3561%0.605SS.*Hα-helixtrans-65.8-20.2178.963.60000114.1L87 V88 R89 E93 R94L87-T91 PolarHBondContact O-N 3.21Å; L87-T91 VanDerWaalsContact O-N 3.14Å; V88-T91 PolarHBondContact O-N 2.95Å; V88-T91 PolarHBondContact O-OG1 3.11Å; R89-T91 PolarHBondContact O-N 3.21Å; T91-E93 VanDerWaalsContact C-N 3.28Å; T91-E93 PolarHBondContact O-N 2.91Å; T91-R94 PolarHBondContact O-N 3.29Å
92K43Very low49.3Very low174 Ų174115.3 Ų115.376%0.75760%0.597SS**THydrogen-bonded Turntrans-66.2-26.8-177.4-166.9-177.2173.3-167.70113.5R89 A90R89-K92 VanDerWaalsContact O-CB 3.25Å; R89-K92 WeakPolarHBondContact O-CB 3.45Å; R89-K92 PolarHBondContact O-N 3.19Å; A90-K92 PolarHBondContact O-N 3.47Å
93E41.4Very low50.5Low167 Ų167114.7 Ų114.778%0.7859%0.593SS**THydrogen-bonded Turntrans-75.8-24.7-178.3-68.1-60120.600113.4A90 T91 G95A90-E93 PolarHBondContact O-N 3.31Å; T91-E93 VanDerWaalsContact C-N 3.28Å; T91-E93 PolarHBondContact O-N 2.91Å; E93-G95 PolarHBondContact O-N 3.35Å; E93-G95 VanDerWaalsContact O-N 3.11Å
94R45.2Very low51.6Low215 Ų215114.6 Ų114.681%0.81159%0.592SS**SBendtrans-83.489.7173.1-84.1-173.2170.6178.5-1110.2T91 F96T91-R94 PolarHBondContact O-N 3.29Å; R94-F96 VanDerWaalsContact O-CD2 3.22Å; R94-F96 WeakPolarHBondContact O-CD2 3.25Å; R94-F96 PolarHBondContact O-N 3.22Å
95G47.1Very low52.9Low75 Ų75111.4 Ų111.477%0.77358%0.577SS**  trans-5793.7-170.400000116.6E93 G97E93-G95 PolarHBondContact O-N 3.35Å; E93-G95 VanDerWaalsContact O-N 3.11Å; G95-G97 PolarHBondContact O-N 2.79Å
96F46.5Very low54.2Low137 Ų137118.2 Ų118.260%0.60160%0.603SS**  trans-73.691.3166.7-75.2-85000111.4R94 T98R94-F96 VanDerWaalsContact O-CD2 3.22Å; R94-F96 WeakPolarHBondContact O-CD2 3.25Å; R94-F96 PolarHBondContact O-N 3.22Å; F96-T98 PolarHBondContact O-N 2.88Å
97G48.7Very low55.6Low78 Ų78119.2 Ų119.280%0.80461%0.61SS**  trans-65.662.1-177.500000116.2G95 K99G95-G97 PolarHBondContact O-N 2.79Å; G97-K99 PolarHBondContact O-N 3.18Å
98T53Low56.9Low88 Ų88117.6 Ų117.654%0.5461%0.612SS.*  trans-80.595.8179.749.30000111.8F96 R100F96-T98 PolarHBondContact O-N 2.88Å; T98-R100 PolarHBondContact O-N 3.35Å
99K54.9Low58.1Low201 Ų201117.9 Ų117.987%0.87462%0.615SS**  trans-62.9100.6173.2-76.7-172.5176.9179.40111G97G97-K99 PolarHBondContact O-N 3.18Å
100R60.4Low59.6Low204 Ų204114.1 Ų114.177%0.7761%0.61SS**  trans-72136175.4-61.9176.6-178.4-178.8-1.6109.9T98 V113T98-R100 PolarHBondContact O-N 3.35Å; R100-V113 HydrophobicContact CB-CG1 4.35Å
101V63.5Low60.8Low80 Ų80120.3 Ų120.349%0.48562%0.618SS.*EExtended strand (participates in β ladder)trans-120.3122.1179-179.50000109.4K114V101-K114 HydrophobicContact CB-CB 4.35Å; V101-K114 WeakPolarHBondContact O-CB 3.3Å; V101-K114 PolarHBondContact O-N 2.83Å
102N74.9Confident62Low89 Ų89118.8 Ų118.848%0.47661%0.614SS.*EExtended strand (participates in β ladder)trans-79.2140.6179-66.7-14000110.7L104 V110N102-L104 HydrophobicContact CB-CD2 4.11Å; N102-V110 HydrophobicContact CB-CG1 4.33Å
103I70.4Confident63.3Low85 Ų85112.3 Ų112.344%0.43659%0.589SS.*EExtended strand (participates in β ladder)trans-93.1109.5173.3-57.3176000107R111 G112 K114I103-R111 PolarHBondContact O-N 2.77Å; I103-G112 PolarHBondContact N-O 2.76Å; I103-G112 PolarHBondContact O-N 3.33Å; I103-K114 HydrophobicContact CD1-CB 4.13Å; I103-K114 HydrophobicContact CD1-CG 4.43Å; I103-K114 HydrophobicContact CG1-CB 3.97Å
104L69.1Low64.5Low104 Ų104109.8 Ų109.855%0.54558%0.575SS.*EExtended strand (participates in β ladder)trans-94.7149179.9-52-174.8000111.1N102 T109 V110N102-L104 HydrophobicContact CB-CD2 4.11Å; L104-T109 CarbonylContact C-O 3.59Å; L104-T109 WeakPolarHBondContact CA-O 3.41Å; L104-V110 HydrophobicContact CD2-CB 4.3Å; L104-V110 HydrophobicContact CD2-CG2 3.62Å
105S69.2Low65.5Low23 Ų23104.5 Ų104.516%0.16156%0.56CS.*  trans-78.5167.7167.5-172.80000111N107 G108 T109 R111S105-N107 WeakPolarHBondContact CB-OD1 3.2Å; S105-N107 PolarHBondContact O-N 3.22Å; S105-N107 VanDerWaalsContact O-N 3.09Å; S105-N107 PolarHBondContact OG-OD1 2.77Å; S105-G108 PolarHBondContact O-N 2.85Å; S105-T109 WeakPolarHBondContact CB-O 3.35Å; S105-T109 WeakPolarHBondContact CB-OG1 3.35Å; S105-T109 PolarHBondContact N-O 3.13Å; S105-R111 PolarHBondContact OG-NE 3.12Å; S105-R111 PolarHBondContact OG-NH2 2.82Å
106K77.1Confident66.5Low225 Ų225108.1 Ų108.198%0.97855%0.554SS**THydrogen-bonded Turntrans-59.3-21.8176.8-61.9-173.9180-1760113.6
107N79.1Confident67.6Low117 Ų117107.2 Ų107.263%0.62656%0.56SS**THydrogen-bonded Turntrans-101.926.3174.364-29.1000113.1S105 T109S105-N107 WeakPolarHBondContact CB-OD1 3.2Å; S105-N107 PolarHBondContact O-N 3.22Å; S105-N107 VanDerWaalsContact O-N 3.09Å; S105-N107 PolarHBondContact OG-OD1 2.77Å; N107-T109 PolarHBondContact O-N 3.35Å; N107-T109 PolarHBondContact OD1-OG1 3.4Å
108G72.1Confident68.7Low48 Ų48106.8 Ų106.850%0.49554%0.544SS..SBendtrans75-15.217400000116.4S105S105-G108 PolarHBondContact O-N 2.85Å
109T70.9Confident69.4Low73 Ų73104.1 Ų104.145%0.44853%0.532SS..  trans-67134.9-178.459.50000112.3L104 S105 N107 R111L104-T109 CarbonylContact C-O 3.59Å; L104-T109 WeakPolarHBondContact CA-O 3.41Å; S105-T109 WeakPolarHBondContact CB-O 3.35Å; S105-T109 WeakPolarHBondContact CB-OG1 3.35Å; S105-T109 PolarHBondContact N-O 3.13Å; N107-T109 PolarHBondContact O-N 3.35Å; N107-T109 PolarHBondContact OD1-OG1 3.4Å; T109-R111 PolarHBondContact O-N 3.13Å
110V76.9Confident70.2Confident87 Ų8796.5 Ų96.553%0.52751%0.51SS..EExtended strand (participates in β ladder)trans-69.2118.7177.6-177.40000109.4N102 L104 G112N102-V110 HydrophobicContact CB-CG1 4.33Å; L104-V110 HydrophobicContact CD2-CB 4.3Å; L104-V110 HydrophobicContact CD2-CG2 3.62Å; V110-G112 WeakPolarHBondContact CG1-O 3.41Å
111R69Low70.7Confident199 Ų19992.3 Ų92.375%0.75150%0.499SS*.EExtended strand (participates in β ladder)trans-98.9-14.5173.1-73-173.4179.8-149.30.2113.7I103 S105 T109I103-R111 PolarHBondContact O-N 2.77Å; S105-R111 PolarHBondContact OG-NE 3.12Å; S105-R111 PolarHBondContact OG-NH2 2.82Å; T109-R111 PolarHBondContact O-N 3.13Å
112G69.1Low70.9Confident25 Ų2590.7 Ų90.726%0.25849%0.494SS..EExtended strand (participates in β ladder)trans179.1-174.517900000113.1I103 V110I103-G112 PolarHBondContact N-O 2.76Å; I103-G112 PolarHBondContact O-N 3.33Å; V110-G112 WeakPolarHBondContact CG1-O 3.41Å
113V71.3Confident70.6Confident39 Ų3991.4 Ų91.424%0.23650%0.497CS..EExtended strand (participates in β ladder)trans-129.6120.1176.7-175.80000108.4R100 K116R100-V113 HydrophobicContact CB-CG1 4.35Å; V113-K116 HydrophobicContact CB-CD 4.03Å; V113-K116 HydrophobicContact CB-CG 4.01Å; V113-K116 HydrophobicContact CG1-CG 4.3Å
114K65.8Low70.4Confident113 Ų11393.9 Ų93.949%0.49151%0.505SS..EExtended strand (participates in β ladder)trans-65.4148.2-179.2-156.3-170.7174.7-162.70109.6V101 I103 K116V101-K114 HydrophobicContact CB-CB 4.35Å; V101-K114 WeakPolarHBondContact O-CB 3.3Å; V101-K114 PolarHBondContact O-N 2.83Å; I103-K114 HydrophobicContact CD1-CB 4.13Å; I103-K114 HydrophobicContact CD1-CG 4.43Å; I103-K114 HydrophobicContact CG1-CB 3.97Å; K114-K116 PolarHBondContact O-N 3.19Å
115H66.4Low70.1Confident105 Ų10592.3 Ų92.349%0.48650%0.497SS..THydrogen-bonded Turntrans62.612.2-179.2-52-85000116.1V117 S118 A119H115-V117 PolarHBondContact O-N 2.8Å; H115-S118 PolarHBondContact O-N 2.75Å; H115-A119 WeakPolarHBondContact O-CB 3.45Å; H115-A119 PolarHBondContact O-N 3.43Å
116K68.1Low69.8Low151 Ų15194.3 Ų94.366%0.65751%0.506SS*.Hα-helixtrans-51.9-49.8175.3-106-174.9175.6-170.10113.3V113 K114 A119 G120V113-K116 HydrophobicContact CB-CD 4.03Å; V113-K116 HydrophobicContact CB-CG 4.01Å; V113-K116 HydrophobicContact CG1-CG 4.3Å; K114-K116 PolarHBondContact O-N 3.19Å; K116-A119 PolarHBondContact O-N 3.44Å; K116-G120 PolarHBondContact O-N 3.2Å
117V69.3Low68.9Low117 Ų11786.4 Ų86.471%0.70947%0.474SS*.Hα-helixtrans-65-47177.7-178.90000111H115 A119 G120 Q121H115-V117 PolarHBondContact O-N 2.8Å; V117-A119 VanDerWaalsContact C-N 3.31Å; V117-A119 PolarHBondContact O-N 2.91Å; V117-G120 PolarHBondContact O-N 2.78Å; V117-Q121 WeakPolarHBondContact O-CB 3.33Å; V117-Q121 PolarHBondContact O-N 3.06Å
118S71.6Confident67.7Low69 Ų6982.6 Ų82.648%0.48346%0.457SS..Hα-helixtrans-62.1-34.5178.7167.70000113.2H115 A122H115-S118 PolarHBondContact O-N 2.75Å; S118-A122 WeakPolarHBondContact O-CB 3.35Å; S118-A122 PolarHBondContact O-N 3.17Å
119A68.5Low67Low33 Ų3386.7 Ų86.727%0.27346%0.461SS..Hα-helixtrans-74.7-38.9174.200000111.9H115 K116 V117 L123H115-A119 WeakPolarHBondContact O-CB 3.45Å; H115-A119 PolarHBondContact O-N 3.43Å; K116-A119 PolarHBondContact O-N 3.44Å; V117-A119 VanDerWaalsContact C-N 3.31Å; V117-A119 PolarHBondContact O-N 2.91Å; A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 VanDerWaalsContact O-CG 3.3Å; A119-L123 WeakPolarHBondContact O-CG 3.35Å; A119-L123 PolarHBondContact O-N 2.93Å
120G71.3Confident66.1Low40 Ų4086.6 Ų86.641%0.41246%0.46SS..Hα-helixtrans-63.3-42.1172.700000112.3K116 V117 L123 F124K116-G120 PolarHBondContact O-N 3.2Å; V117-G120 PolarHBondContact O-N 2.78Å; G120-L123 PolarHBondContact O-N 3.22Å; G120-F124 WeakPolarHBondContact O-CB 3.17Å; G120-F124 PolarHBondContact O-N 3.27Å
121Q70.3Confident64.8Low116 Ų11686 Ų8654%0.54245%0.451SS..Hα-helixtrans-71.1-42.5176.8-169.4165.99.500111.7V117 L123 F124 D125V117-Q121 WeakPolarHBondContact O-CB 3.33Å; V117-Q121 PolarHBondContact O-N 3.06Å; Q121-L123 VanDerWaalsContact C-N 3.27Å; Q121-L123 PolarHBondContact O-N 2.66Å; Q121-F124 PolarHBondContact O-N 3.09Å; Q121-F124 VanDerWaalsContact O-N 3.13Å; Q121-D125 WeakPolarHBondContact O-CB 3.5Å; Q121-D125 PolarHBondContact O-N 2.71Å
122A69.8Low63.8Low46 Ų4683.3 Ų83.338%0.3845%0.447SS..Hα-helixtrans-63.5-32.3172.800000112.7S118 N126S118-A122 WeakPolarHBondContact O-CB 3.35Å; S118-A122 PolarHBondContact O-N 3.17Å; A122-N126 WeakPolarHBondContact O-CB 3.22Å; A122-N126 PolarHBondContact O-N 3.14Å; A122-N126 PolarHBondContact O-ND2 3.43Å
123L68.5Low62.8Low105 Ų10584.1 Ų84.155%0.5545%0.446SS..Hα-helixtrans-68-46.9169.4-79.2168.6000111.3A119 G120 Q121 N126 L127A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 VanDerWaalsContact O-CG 3.3Å; A119-L123 WeakPolarHBondContact O-CG 3.35Å; A119-L123 PolarHBondContact O-N 2.93Å; G120-L123 PolarHBondContact O-N 3.22Å; Q121-L123 VanDerWaalsContact C-N 3.27Å; Q121-L123 PolarHBondContact O-N 2.66Å; L123-N126 CarbonylContact O-C 3.59Å; L123-N126 PolarHBondContact O-N 3.11Å; L123-L127 WeakPolarHBondContact O-CB 3.36Å; L123-L127 PolarHBondContact O-N 3.19Å
124F65.3Low61.7Low137 Ų13785.8 Ų85.860%0.60146%0.46SS*.Hα-helixtrans-62.9-45.3179.4-162.1-92000111.9G120 Q121 N126 L127 S128G120-F124 WeakPolarHBondContact O-CB 3.17Å; G120-F124 PolarHBondContact O-N 3.27Å; Q121-F124 PolarHBondContact O-N 3.09Å; Q121-F124 VanDerWaalsContact O-N 3.13Å; F124-N126 VanDerWaalsContact C-N 3.27Å; F124-N126 PolarHBondContact O-N 3.32Å; F124-L127 WeakPolarHBondContact O-CB 3.47Å; F124-L127 PolarHBondContact O-N 3.36Å; F124-L127 VanDerWaalsContact O-N 3.13Å; F124-S128 WeakPolarHBondContact O-CB 3.16Å; F124-S128 PolarHBondContact O-N 3.25Å; F124-S128 PolarHBondContact O-OG 3.1Å
125D63.6Low60.9Low70 Ų7084.5 Ų84.537%0.37446%0.462SS..Hα-helixtrans-62.7-31.1175.3-65.4-19.1000112.3Q121 K129Q121-D125 WeakPolarHBondContact O-CB 3.5Å; Q121-D125 PolarHBondContact O-N 2.71Å; D125-K129 VanDerWaalsContact O-CD 3.25Å; D125-K129 WeakPolarHBondContact O-CD 3.25Å; D125-K129 WeakPolarHBondContact O-CG 3.47Å; D125-K129 PolarHBondContact O-N 3.34Å; D125-K129 VanDerWaalsContact O-N 3.12Å
126N62.3Low60.1Low65 Ų6584.7 Ų84.735%0.34847%0.47SS..Hα-helixtrans-79.2-37.3172.1-84.9-80.9000111.9A122 L123 F124 K129 V130A122-N126 WeakPolarHBondContact O-CB 3.22Å; A122-N126 PolarHBondContact O-N 3.14Å; A122-N126 PolarHBondContact O-ND2 3.43Å; L123-N126 CarbonylContact O-C 3.59Å; L123-N126 PolarHBondContact O-N 3.11Å; F124-N126 VanDerWaalsContact C-N 3.27Å; F124-N126 PolarHBondContact O-N 3.32Å; N126-K129 CarbonylContact O-C 3.56Å; N126-K129 PolarHBondContact O-N 2.76Å; N126-K129 VanDerWaalsContact O-N 3.12Å; N126-V130 WeakPolarHBondContact O-CB 3.41Å; N126-V130 WeakPolarHBondContact O-CG2 3.22Å; N126-V130 PolarHBondContact O-N 3.11Å
127L58.5Low59.8Low60 Ų6082.9 Ų82.931%0.31447%0.467SS..Hα-helixtrans-61.2-46.5173.2-122.772.6000110.2L123 F124 K129 V130 F131L123-L127 WeakPolarHBondContact O-CB 3.36Å; L123-L127 PolarHBondContact O-N 3.19Å; F124-L127 WeakPolarHBondContact O-CB 3.47Å; F124-L127 PolarHBondContact O-N 3.36Å; F124-L127 VanDerWaalsContact O-N 3.13Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 2.71Å; L127-V130 PolarHBondContact O-N 3.07Å; L127-F131 HydrophobicContact CB-CD2 4.35Å; L127-F131 HydrophobicContact CB-CE2 4.45Å; L127-F131 HydrophobicContact CD2-CD2 4.46Å; L127-F131 HydrophobicContact CD2-CE2 3.86Å; L127-F131 HydrophobicContact CG-CD2 4.04Å; L127-F131 HydrophobicContact CG-CE2 3.65Å; L127-F131 WeakPolarHBondContact O-CB 3.49Å; L127-F131 VanDerWaalsContact O-CD2 3.22Å; L127-F131 WeakPolarHBondContact O-CD2 3.11Å; L127-F131 PolarHBondContact O-N 3.46Å
128S54.4Low59.8Low37 Ų3778.2 Ų78.226%0.25944%0.437SS..Hα-helixtrans-58.1-42.5170.4-62.30000111.2F124 V130 F131 Q132F124-S128 WeakPolarHBondContact O-CB 3.16Å; F124-S128 PolarHBondContact O-N 3.25Å; F124-S128 PolarHBondContact O-OG 3.1Å; S128-V130 VanDerWaalsContact C-N 3.35Å; S128-V130 PolarHBondContact O-N 3.43Å; S128-F131 PolarHBondContact O-N 2.85Å; S128-Q132 WeakPolarHBondContact O-CA 3.02Å; S128-Q132 WeakPolarHBondContact O-CB 3.4Å; S128-Q132 WeakPolarHBondContact O-CG 3.46Å; S128-Q132 PolarHBondContact O-N 3.12Å
129K55.3Low60.1Low134 Ų13481.5 Ų81.558%0.58344%0.443SS*.Hα-helixtrans-67.9-29.7176-74.1161.9-167.6163.50114.4D125 N126 L127D125-K129 VanDerWaalsContact O-CD 3.25Å; D125-K129 WeakPolarHBondContact O-CD 3.25Å; D125-K129 WeakPolarHBondContact O-CG 3.47Å; D125-K129 PolarHBondContact O-N 3.34Å; D125-K129 VanDerWaalsContact O-N 3.12Å; N126-K129 CarbonylContact O-C 3.56Å; N126-K129 PolarHBondContact O-N 2.76Å; N126-K129 VanDerWaalsContact O-N 3.12Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 2.71Å
130V53.1Low60.8Low71 Ų7181.5 Ų81.543%0.4345%0.446SS..Hα-helixtrans-76.3-39.4175.6169.40000110.9N126 L127 S128N126-V130 WeakPolarHBondContact O-CB 3.41Å; N126-V130 WeakPolarHBondContact O-CG2 3.22Å; N126-V130 PolarHBondContact O-N 3.11Å; L127-V130 PolarHBondContact O-N 3.07Å; S128-V130 VanDerWaalsContact C-N 3.35Å; S128-V130 PolarHBondContact O-N 3.43Å
131F49.3Very low61.6Low74 Ų7486.7 Ų86.733%0.32545%0.453SS..Hα-helixtrans-89.3-16.8179.9-64.6-52000114.7L84 L87 L127 S128 V133L84-F131 HydrophobicContact CD1-CE1 3.77Å; L84-F131 HydrophobicContact CD1-CE2 3.91Å; L84-F131 HydrophobicContact CD1-CZ 3.39Å; L84-F131 HydrophobicContact CG-CZ 4.3Å; L87-F131 HydrophobicContact CB-CE1 4.33Å; L87-F131 HydrophobicContact CD2-CE1 4.01Å; L127-F131 HydrophobicContact CB-CD2 4.35Å; L127-F131 HydrophobicContact CB-CE2 4.45Å; L127-F131 HydrophobicContact CD2-CD2 4.46Å; L127-F131 HydrophobicContact CD2-CE2 3.86Å; L127-F131 HydrophobicContact CG-CD2 4.04Å; L127-F131 HydrophobicContact CG-CE2 3.65Å; L127-F131 WeakPolarHBondContact O-CB 3.49Å; L127-F131 VanDerWaalsContact O-CD2 3.22Å; L127-F131 WeakPolarHBondContact O-CD2 3.11Å; L127-F131 PolarHBondContact O-N 3.46Å; S128-F131 PolarHBondContact O-N 2.85Å; F131-V133 VanDerWaalsContact C-N 3.32Å
132Q47.5Very low62.7Low143 Ų14381.3 Ų81.367%0.66843%0.428SS*.  trans-88.34.9171.5-70.2177.9-28.300113S128 S134S128-Q132 WeakPolarHBondContact O-CA 3.02Å; S128-Q132 WeakPolarHBondContact O-CB 3.4Å; S128-Q132 WeakPolarHBondContact O-CG 3.46Å; S128-Q132 PolarHBondContact O-N 3.12Å; Q132-S134 PolarHBondContact O-N 3.44Å; Q132-S134 VanDerWaalsContact O-N 3.14Å
133V48.6Very low63.9Low42 Ų4279.1 Ų79.126%0.25541%0.41SS..SBendtrans-69.2105.1155.8171.30000106.6F131 T135F131-V133 VanDerWaalsContact C-N 3.32Å; V133-T135 HydrophobicContact CG1-CG2 4.3Å; V133-T135 PolarHBondContact O-N 3.19Å
134S49.1Very low65.2Low74 Ų7474.1 Ų74.152%0.51738%0.384SS..SBendtrans-71.659.9-173.3-53.10000114.4Q132Q132-S134 PolarHBondContact O-N 3.44Å; Q132-S134 VanDerWaalsContact O-N 3.14Å
135T47.9Very low66.6Low86 Ų8667.6 Ų67.653%0.52836%0.355SS..  trans-855.1158.252.40000111.8V133 L137V133-T135 HydrophobicContact CG1-CG2 4.3Å; V133-T135 PolarHBondContact O-N 3.19Å; T135-L137 PolarHBondContact O-N 2.86Å
136V50.4Low68.2Low108 Ų10864.3 Ų64.366%0.65534%0.338SS*.THydrogen-bonded Turntrans-64.395.3172.5-177.10000109.1
137L60.6Low69.7Low114 Ų11462 Ų6260%0.59733%0.326SS*.THydrogen-bonded Turntrans59.351.5171-49.3178.3000114.8T135 F139 R141T135-L137 PolarHBondContact O-N 2.86Å; L137-F139 HydrophobicContact CD2-CD2 3.82Å; L137-F139 HydrophobicContact CD2-CE2 3.96Å; L137-F139 PolarHBondContact O-N 3.04Å; L137-R141 PolarHBondContact O-NE 3.49Å
138E69.9Low71.1Confident18 Ų1861.3 Ų61.38%0.08433%0.326CS..  trans-75.44.5161.5-73.3-166.8154.800113.3R141 K176 R191 D207 G208E138-R141 VanDerWaalsContact O-CB 3.25Å; E138-R141 WeakPolarHBondContact O-CB 3.39Å; E138-R141 WeakPolarHBondContact O-CG 3.16Å; E138-R141 PolarHBondContact O-N 2.83Å; E138-R141 VanDerWaalsContact O-N 3.11Å; E138-K176 IonicContact OE1-NZ 2.83Å; E138-R191 IonicContact OE1-CZ 3.02Å; E138-R191 IonicContact OE1-NH1 3.8Å; E138-R191 PolarHBondContact OE1-NH1 3.02Å; E138-R191 IonicContact OE1-NH2 3.33Å; E138-R191 PolarHBondContact OE1-NH2 2.64Å; E138-R191 IonicContact OE2-CZ 3.48Å; E138-R191 IonicContact OE2-NH1 3.82Å; E138-R191 PolarHBondContact OE2-NH1 3.27Å; E138-R191 IonicContact OE2-NH2 3.85Å; E138-R191 PolarHBondContact OE2-NH2 2.94Å; E138-D207 WeakPolarHBondContact O-CA 3.47Å; E138-G208 WeakPolarHBondContact OE2-CA 3.5Å
139F78.1Confident72.8Confident139 Ų13964.4 Ų64.461%0.6134%0.339SS*.THydrogen-bonded Turntrans-55137.3171.7-61.4-65.8000112.2L137 R141 D207L137-F139 HydrophobicContact CD2-CD2 3.82Å; L137-F139 HydrophobicContact CD2-CE2 3.96Å; L137-F139 PolarHBondContact O-N 3.04Å; F139-R141 VanDerWaalsContact C-N 3.25Å; F139-R141 PolarHBondContact O-N 3.47Å; F139-D207 HydrophobicContact CD1-CB 4.17Å
140G82.6Confident74.6Confident33 Ų3365.4 Ų65.434%0.3434%0.34SS..THydrogen-bonded Turntrans74.69.6-17500000114.1D207G140-D207 PolarHBondContact N-OD1 3.21Å
141R89.3Confident76.5Confident149 Ų14968.3 Ų68.356%0.56236%0.357SS*.  trans-121.2140.7-175.1-47-174.2-168.5-148.7-2.5112.4L137 E138 F139 I206 D207L137-R141 PolarHBondContact O-NE 3.49Å; E138-R141 VanDerWaalsContact O-CB 3.25Å; E138-R141 WeakPolarHBondContact O-CB 3.39Å; E138-R141 WeakPolarHBondContact O-CG 3.16Å; E138-R141 PolarHBondContact O-N 2.83Å; E138-R141 VanDerWaalsContact O-N 3.11Å; F139-R141 VanDerWaalsContact C-N 3.25Å; F139-R141 PolarHBondContact O-N 3.47Å; R141-I206 WeakPolarHBondContact O-CA 3.4Å; R141-D207 PolarHBondContact O-N 3.02Å; R141-D207 VanDerWaalsContact O-N 3.07Å
142I93.1Very high78.5Confident2 Ų268.4 Ų68.41%0.0136%0.364CS..EExtended strand (participates in β ladder)trans-103.8130.3168.9-48.7167.4000107.4I144 F166 V171 F173 E174 V204 F205 I206 L230 I233I142-I144 HydrophobicContact CG2-CD1 4.35Å; I142-I144 HydrophobicContact CG2-CG1 3.92Å; I142-F166 HydrophobicContact CD1-CD1 3.82Å; I142-F166 HydrophobicContact CD1-CE1 4.15Å; I142-F166 HydrophobicContact CG2-CD1 4.35Å; I142-F166 HydrophobicContact CG2-CE1 4.2Å; I142-F166 HydrophobicContact CG2-CZ 4.42Å; I142-V171 HydrophobicContact CD1-CB 3.86Å; I142-V171 HydrophobicContact CD1-CG2 3.43Å; I142-V171 VanDerWaalsContact CD1-CG2 3.43Å; I142-F173 HydrophobicContact CB-CB 3.67Å; I142-F173 HydrophobicContact CD1-CB 4.23Å; I142-F173 HydrophobicContact CG2-CB 3.87Å; I142-F173 WeakPolarHBondContact O-CA 3.22Å; I142-E174 PolarHBondContact O-N 3.14Å; I142-V204 HydrophobicContact CG2-CG1 4.16Å; I142-F205 WeakPolarHBondContact CA-O 3.48Å; I142-I206 HydrophobicContact CG1-CG1 4.35Å; I142-I206 HydrophobicContact CG2-CG1 4.26Å; I142-L230 HydrophobicContact CD1-CD2 3.44Å; I142-L230 VanDerWaalsContact CD1-CD2 3.44Å; I142-L230 HydrophobicContact CG1-CD2 4.15Å; I142-I233 HydrophobicContact CD1-CD1 4.09Å; I142-I233 HydrophobicContact CD1-CG2 4.11Å; I142-I233 HydrophobicContact CG1-CD1 3.56Å; I142-I233 HydrophobicContact CG1-CG2 4.2Å
143V93.8Very high80.7Confident1 Ų170.7 Ų70.71%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-121.6118.1174.2-176.80000108.8Y145 K176 F205V143-Y145 HydrophobicContact CG1-CD2 4.24Å; V143-Y145 HydrophobicContact CG1-CE2 3.62Å; V143-K176 HydrophobicContact CG1-CD 3.55Å; V143-K176 HydrophobicContact CG1-CG 4.01Å; V143-F205 HydrophobicContact CB-CB 4.44Å; V143-F205 PolarHBondContact N-O 2.62Å; V143-F205 PolarHBondContact O-N 2.96Å
144I95.5Very high82.8Confident0 Ų072.8 Ų72.80%038%0.379CS..EExtended strand (participates in β ladder)trans-112.1115.9-178.9-48.4-178.1000108.9I142 T146 V162 F166 F173 E174 E175 K176 V204I142-I144 HydrophobicContact CG2-CD1 4.35Å; I142-I144 HydrophobicContact CG2-CG1 3.92Å; I144-T146 HydrophobicContact CB-CG2 4.49Å; I144-T146 HydrophobicContact CG2-CG2 3.68Å; I144-V162 HydrophobicContact CD1-CG1 4.38Å; I144-V162 HydrophobicContact CG2-CG1 4.01Å; I144-F166 HydrophobicContact CD1-CB 4.21Å; I144-F166 HydrophobicContact CD1-CD2 3.39Å; I144-F166 HydrophobicContact CD1-CE2 4Å; I144-F166 HydrophobicContact CD1-CG 3.96Å; I144-F166 HydrophobicContact CG1-CD2 4.42Å; I144-F173 HydrophobicContact CD1-CB 4.17Å; I144-F173 HydrophobicContact CD1-CD1 4.39Å; I144-F173 HydrophobicContact CD1-CD2 3.54Å; I144-F173 HydrophobicContact CD1-CE2 3.93Å; I144-F173 HydrophobicContact CD1-CG 3.8Å; I144-F173 HydrophobicContact CD1-CZ 4.49Å; I144-F173 HydrophobicContact CG1-CB 4.38Å; I144-F173 HydrophobicContact CG1-CD2 4.1Å; I144-F173 HydrophobicContact CG1-CG 4.44Å; I144-E174 PolarHBondContact N-O 3.09Å; I144-E175 CarbonylContact O-C 3.5Å; I144-E175 WeakPolarHBondContact O-CA 3.5Å; I144-K176 PolarHBondContact O-N 2.86Å; I144-V204 HydrophobicContact CG1-CG2 4.42Å; I144-V204 HydrophobicContact CG2-CG2 4.23Å
145Y96.1Very high85Confident0 Ų071 Ų710%037%0.365CS..EExtended strand (participates in β ladder)trans-86.1125171.2-65.8-94.6000109.5V143 K176 I178 E187 L188 R191 L201 P202 V203 F205V143-Y145 HydrophobicContact CG1-CD2 4.24Å; V143-Y145 HydrophobicContact CG1-CE2 3.62Å; Y145-K176 WeakPolarHBondContact CA-O 3.41Å; Y145-K176 HydrophobicContact CD1-CB 3.64Å; Y145-K176 HydrophobicContact CD1-CD 4.35Å; Y145-K176 HydrophobicContact CE1-CB 3.7Å; Y145-K176 HydrophobicContact CE1-CD 3.55Å; Y145-K176 HydrophobicContact CE1-CG 4.27Å; Y145-K176 HydrophobicContact CE2-CD 4.38Å; Y145-K176 HydrophobicContact CG-CB 4.24Å; Y145-K176 WeakPolarHBondContact OH-CD 3.47Å; Y145-K176 PolarHBondContact OH-NZ 3.44Å; Y145-I178 HydrophobicContact CD1-CG2 4.4Å; Y145-E187 PolarHBondContact OH-OE1 2.83Å; Y145-E187 VanDerWaalsContact OH-OE1 3.05Å; Y145-E187 PolarHBondContact OH-OE2 3.4Å; Y145-L188 HydrophobicContact CD1-CB 3.83Å; Y145-L188 HydrophobicContact CD1-CD1 4.29Å; Y145-L188 HydrophobicContact CD1-CD2 4.34Å; Y145-L188 HydrophobicContact CD1-CG 4.37Å; Y145-L188 HydrophobicContact CD2-CD1 3.86Å; Y145-L188 HydrophobicContact CE1-CB 4.01Å; Y145-L188 HydrophobicContact CE2-CD1 4.32Å; Y145-L188 HydrophobicContact CG-CB 4.26Å; Y145-L188 HydrophobicContact CG-CD1 3.85Å; Y145-L188 HydrophobicContact CG-CD2 4.19Å; Y145-L188 HydrophobicContact CG-CG 4.32Å; Y145-R191 PolarHBondContact OH-NE 3.36Å; Y145-R191 VanDerWaalsContact OH-NE 3.1Å; Y145-L201 WeakPolarHBondContact O-CD2 3.43Å; Y145-P202 VanDerWaalsContact O-CA 3.28Å; Y145-P202 WeakPolarHBondContact O-CA 3.3Å; Y145-P202 WeakPolarHBondContact O-CB 3.25Å; Y145-V203 PolarHBondContact N-O 3.26Å; Y145-V203 PolarHBondContact O-N 3.2Å; Y145-V203 VanDerWaalsContact O-N 3.14Å; Y145-F205 AromaticContact CD2-CD2 3.82Å; Y145-F205 HydrophobicContact CD2-CD2 3.82Å; Y145-F205 AromaticContact CD2-CE2 3.77Å; Y145-F205 HydrophobicContact CD2-CE2 3.77Å; Y145-F205 AromaticContact CE2-CD2 3.58Å; Y145-F205 HydrophobicContact CE2-CD2 3.58Å; Y145-F205 AromaticContact CE2-CE2 3.6Å; Y145-F205 HydrophobicContact CE2-CE2 3.6Å
146T95.8Very high87.2Confident0 Ų068.4 Ų68.40%035%0.346CS..EExtended strand (participates in β ladder)trans-133.2174-174.266.50000111.5I144 C159 R163 E175 K176 N177 I178I144-T146 HydrophobicContact CB-CG2 4.49Å; I144-T146 HydrophobicContact CG2-CG2 3.68Å; T146-C159 HydrophobicContact CG2-CB 4.46Å; T146-R163 HydrophobicContact CG2-CG 4.27Å; T146-E175 WeakPolarHBondContact CB-OE1 3.35Å; T146-E175 HydrophobicContact CG2-CG 3.83Å; T146-E175 WeakPolarHBondContact CG2-OE1 3.42Å; T146-E175 WeakPolarHBondContact OG1-CG 3.46Å; T146-E175 PolarHBondContact OG1-OE1 2.82Å; T146-K176 PolarHBondContact N-O 2.98Å; T146-N177 WeakPolarHBondContact O-CA 3.33Å; T146-N177 WeakPolarHBondContact OG1-CA 3.42Å; T146-I178 PolarHBondContact O-N 2.99Å
147T93.8Very high89.4Confident17 Ų1768.3 Ų68.310%0.10434%0.339CS..  trans-138.2135.1163.1-177.70000110.7L149 T155 L201T147-L149 VanDerWaalsContact C-N 3.32Å; T147-L149 PolarHBondContact OG1-N 2.77Å; T147-T155 HydrophobicContact CG2-CG2 4.03Å; T147-L201 HydrophobicContact CG2-CD1 3.68Å
148S89.8Confident91.1Very high46 Ų4666.5 Ų66.532%0.32232%0.324SS..  trans-87.50.6170.954.30000113.4R150 N177S148-R150 PolarHBondContact O-N 2.6Å; S148-N177 VanDerWaalsContact CB-ND2 3.34Å; S148-N177 WeakPolarHBondContact CB-ND2 3.31Å; S148-N177 PolarHBondContact N-OD1 2.89Å; S148-N177 PolarHBondContact OG-ND2 3.1Å
149L89.9Confident92.3Very high101 Ų10165.7 Ų65.753%0.52932%0.321SS..  trans-79.5111.8178.9-65.6172.9000111.1T147 V151 A179T147-L149 VanDerWaalsContact C-N 3.32Å; T147-L149 PolarHBondContact OG1-N 2.77Å; L149-V151 HydrophobicContact CB-CG2 4.43Å; L149-V151 PolarHBondContact O-N 3.1Å; L149-A179 HydrophobicContact CD1-CB 3.67Å; L149-A179 HydrophobicContact CD2-CB 4.36Å; L149-A179 HydrophobicContact CG-CB 3.57Å
150R92Very high93.1Very high156 Ų15661.4 Ų61.459%0.58930%0.302SS*.THydrogen-bonded Turntrans-81.125.8-178.4-53.8-168.1177.7107.30114.4S148 F156S148-R150 PolarHBondContact O-N 2.6Å; R150-F156 HydrophobicContact CG-CB 4.33Å; R150-F156 HydrophobicContact CG-CD1 4Å; R150-F156 HydrophobicContact CG-CD2 3.87Å; R150-F156 HydrophobicContact CG-CE1 4.36Å; R150-F156 HydrophobicContact CG-CE2 4.25Å; R150-F156 HydrophobicContact CG-CG 3.76Å; R150-F156 VanDerWaalsContact NE-CE1 3.28Å
151V92.5Very high93.7Very high132 Ų13263.2 Ų63.280%0.830%0.304SS*.THydrogen-bonded Turntrans-65.5-43.8178.9179.20000110.2L149L149-V151 HydrophobicContact CB-CG2 4.43Å; L149-V151 PolarHBondContact O-N 3.1Å
152V92.6Very high94.1Very high76 Ų7656.1 Ų56.146%0.46128%0.277SS..SBendtrans-109.1105.2170.5-1750000107.5T154 T155 F156V152-T154 WeakPolarHBondContact CG1-OG1 3.18Å; V152-T154 PolarHBondContact O-N 3.16Å; V152-T155 VanDerWaalsContact CG1-OG1 3.3Å; V152-T155 WeakPolarHBondContact CG1-OG1 3.14Å; V152-T155 PolarHBondContact O-N 3.43Å; V152-F156 PolarHBondContact O-N 2.86Å
153R92.8Very high94.2Very high191 Ų19158.1 Ų58.172%0.72129%0.285SS*.Hα-helixtrans-58.6-45.8-174-68-173.9-176.71771.6112.4T155 F156 E157R153-T155 VanDerWaalsContact C-N 3.31Å; R153-T155 PolarHBondContact O-N 3.16Å; R153-F156 WeakPolarHBondContact O-CB 3.45Å; R153-F156 PolarHBondContact O-N 2.76Å; R153-F156 VanDerWaalsContact O-N 3.09Å; R153-E157 WeakPolarHBondContact O-CB 3.44Å; R153-E157 VanDerWaalsContact O-CD 3.32Å; R153-E157 VanDerWaalsContact O-CG 3.31Å; R153-E157 WeakPolarHBondContact O-CG 3.4Å; R153-E157 PolarHBondContact O-N 3.31Å
154T93.7Very high94.2Very high86 Ų8663.4 Ų63.453%0.52831%0.307SS..Hα-helixtrans-60.4-37179.252.30000112.8V152 E157 R158V152-T154 WeakPolarHBondContact CG1-OG1 3.18Å; V152-T154 PolarHBondContact O-N 3.16Å; T154-E157 WeakPolarHBondContact CA-OE2 3.33Å; T154-R158 WeakPolarHBondContact O-CB 3.27Å; T154-R158 VanDerWaalsContact O-CD 3.28Å; T154-R158 WeakPolarHBondContact O-CD 3.46Å; T154-R158 WeakPolarHBondContact O-CG 3.45Å; T154-R158 PolarHBondContact O-N 2.73Å
155T94.5Very high94.2Very high36 Ų3663.8 Ų63.822%0.22131%0.31CS..Hα-helixtrans-66.7-42.8174.2-52.50000111.6T147 V152 R153 R158 C159 L201T147-T155 HydrophobicContact CG2-CG2 4.03Å; V152-T155 VanDerWaalsContact CG1-OG1 3.3Å; V152-T155 WeakPolarHBondContact CG1-OG1 3.14Å; V152-T155 PolarHBondContact O-N 3.43Å; R153-T155 VanDerWaalsContact C-N 3.31Å; R153-T155 PolarHBondContact O-N 3.16Å; T155-R158 PolarHBondContact O-N 3.28Å; T155-C159 PolarHBondContact O-N 2.82Å; T155-C159 PolarHBondContact O-SG 3.16Å; T155-L201 HydrophobicContact CG2-CB 3.82Å
156F94.8Very high94.1Very high31 Ų3163.8 Ų63.814%0.13631%0.31CS..Hα-helixtrans-63.6-46175.1172.7-101.2000111.5R150 V152 R153 R158 C159 E160R150-F156 HydrophobicContact CG-CB 4.33Å; R150-F156 HydrophobicContact CG-CD1 4Å; R150-F156 HydrophobicContact CG-CD2 3.87Å; R150-F156 HydrophobicContact CG-CE1 4.36Å; R150-F156 HydrophobicContact CG-CE2 4.25Å; R150-F156 HydrophobicContact CG-CG 3.76Å; R150-F156 VanDerWaalsContact NE-CE1 3.28Å; V152-F156 PolarHBondContact O-N 2.86Å; R153-F156 WeakPolarHBondContact O-CB 3.45Å; R153-F156 PolarHBondContact O-N 2.76Å; R153-F156 VanDerWaalsContact O-N 3.09Å; F156-R158 PolarHBondContact O-N 3.04Å; F156-C159 WeakPolarHBondContact O-CB 3.31Å; F156-C159 PolarHBondContact O-N 3.17Å; F156-C159 VanDerWaalsContact O-N 3.14Å; F156-E160 HydrophobicContact CD1-CG 4.3Å; F156-E160 HydrophobicContact CD2-CG 4.3Å; F156-E160 HydrophobicContact CE1-CG 3.72Å; F156-E160 HydrophobicContact CE2-CG 3.72Å; F156-E160 HydrophobicContact CZ-CG 3.36Å; F156-E160 WeakPolarHBondContact O-CG 3.3Å; F156-E160 PolarHBondContact O-N 3.43Å
157E95.6Very high93.8Very high107 Ų10767.8 Ų67.850%0.533%0.328SS..Hα-helixtrans-60.8-41.5177.7-72152.2-17200112R153 T154 E160 L161R153-E157 WeakPolarHBondContact O-CB 3.44Å; R153-E157 VanDerWaalsContact O-CD 3.32Å; R153-E157 VanDerWaalsContact O-CG 3.31Å; R153-E157 WeakPolarHBondContact O-CG 3.4Å; R153-E157 PolarHBondContact O-N 3.31Å; T154-E157 WeakPolarHBondContact CA-OE2 3.33Å; E157-E160 PolarHBondContact O-N 3.34Å; E157-L161 WeakPolarHBondContact O-CB 3.45Å; E157-L161 PolarHBondContact O-N 3.5Å
158R96.5Very high93.8Very high75 Ų7573.1 Ų73.128%0.28336%0.356SS..Hα-helixtrans-63.9-40.1172.7-71.9161.874.194.4-8.7112.4T154 T155 F156 L161 V162 P202 A214 E215T154-R158 WeakPolarHBondContact O-CB 3.27Å; T154-R158 VanDerWaalsContact O-CD 3.28Å; T154-R158 WeakPolarHBondContact O-CD 3.46Å; T154-R158 WeakPolarHBondContact O-CG 3.45Å; T154-R158 PolarHBondContact O-N 2.73Å; T155-R158 PolarHBondContact O-N 3.28Å; F156-R158 PolarHBondContact O-N 3.04Å; R158-L161 PolarHBondContact O-N 2.72Å; R158-V162 PolarHBondContact O-N 2.89Å; R158-V162 VanDerWaalsContact O-N 3.12Å; R158-P202 HydrophobicContact CB-CG 4.48Å; R158-P202 WeakPolarHBondContact O-CG 3.49Å; R158-A214 HydrophobicContact CB-CB 3.89Å; R158-A214 HydrophobicContact CG-CB 4.18Å; R158-E215 IonicContact CZ-OE1 3.17Å; R158-E215 IonicContact NH1-OE1 3.84Å; R158-E215 PolarHBondContact NH1-OE1 2.54Å; R158-E215 IonicContact NH2-OE1 2.73Å; R158-E215 PolarHBondContact NH2-OE1 3.03Å
159C96.1Very high93.8Very high2 Ų273.1 Ų73.11%0.01435%0.351CS..Hα-helixtrans-61.7-49.1174.5-67.50000110.9T146 T155 F156 L161 V162 R163 P202T146-C159 HydrophobicContact CG2-CB 4.46Å; T155-C159 PolarHBondContact O-N 2.82Å; T155-C159 PolarHBondContact O-SG 3.16Å; F156-C159 WeakPolarHBondContact O-CB 3.31Å; F156-C159 PolarHBondContact O-N 3.17Å; F156-C159 VanDerWaalsContact O-N 3.14Å; C159-L161 VanDerWaalsContact C-N 3.33Å; C159-L161 PolarHBondContact O-N 3.05Å; C159-V162 PolarHBondContact O-N 2.84Å; C159-R163 VanDerWaalsContact O-CG 3.26Å; C159-R163 WeakPolarHBondContact O-CG 3.48Å; C159-R163 PolarHBondContact O-N 3.42Å; C159-P202 HydrophobicContact CB-CB 4.44Å
160E94.6Very high93.9Very high48 Ų4874.7 Ų74.722%0.22435%0.35CS..Hα-helixtrans-63-36.5178.5-67.6-69.991.700112.8F156 E157 R163 K164F156-E160 HydrophobicContact CD1-CG 4.3Å; F156-E160 HydrophobicContact CD2-CG 4.3Å; F156-E160 HydrophobicContact CE1-CG 3.72Å; F156-E160 HydrophobicContact CE2-CG 3.72Å; F156-E160 HydrophobicContact CZ-CG 3.36Å; F156-E160 WeakPolarHBondContact O-CG 3.3Å; F156-E160 PolarHBondContact O-N 3.43Å; E157-E160 PolarHBondContact O-N 3.34Å; E160-R163 WeakPolarHBondContact OE1-CD 3.35Å; E160-R163 IonicContact OE1-CZ 3.99Å; E160-R163 IonicContact OE1-NE 2.82Å; E160-R163 IonicContact OE1-NH1 3.5Å; E160-R163 PolarHBondContact OE1-NH1 3.08Å; E160-R163 IonicContact OE2-NH1 3.54Å; E160-K164 WeakPolarHBondContact O-CB 3.44Å; E160-K164 VanDerWaalsContact O-CG 3.24Å; E160-K164 WeakPolarHBondContact O-CG 3.44Å; E160-K164 PolarHBondContact O-N 3.04Å
161L96Very high93.8Very high72 Ų7267.6 Ų67.638%0.37732%0.324SS..Hα-helixtrans-60.9-50.2174.117762.6000111.4E157 R158 C159 K164 I165 L218E157-L161 WeakPolarHBondContact O-CB 3.45Å; E157-L161 PolarHBondContact O-N 3.5Å; R158-L161 PolarHBondContact O-N 2.72Å; C159-L161 VanDerWaalsContact C-N 3.33Å; C159-L161 PolarHBondContact O-N 3.05Å; L161-K164 PolarHBondContact O-N 3.4Å; L161-I165 HydrophobicContact CD1-CD1 4.36Å; L161-I165 HydrophobicContact CG-CD1 4.2Å; L161-I165 WeakPolarHBondContact O-CG1 3.47Å; L161-I165 PolarHBondContact O-N 2.87Å; L161-L218 HydrophobicContact CD2-CD2 4.48Å
162V96.8Very high93.6Very high0 Ų066.5 Ų66.50%031%0.308CS..Hα-helixtrans-64.4-41.9179.61690000111.6I144 R158 C159 K164 I165 F166 P202 V204 A214 I217I144-V162 HydrophobicContact CD1-CG1 4.38Å; I144-V162 HydrophobicContact CG2-CG1 4.01Å; R158-V162 PolarHBondContact O-N 2.89Å; R158-V162 VanDerWaalsContact O-N 3.12Å; C159-V162 PolarHBondContact O-N 2.84Å; V162-K164 VanDerWaalsContact C-N 3.31Å; V162-K164 PolarHBondContact O-N 3.1Å; V162-I165 PolarHBondContact O-N 2.89Å; V162-F166 HydrophobicContact CG1-CD2 4Å; V162-F166 HydrophobicContact CG1-CE2 3.86Å; V162-F166 WeakPolarHBondContact O-CD2 3.2Å; V162-F166 PolarHBondContact O-N 3.48Å; V162-P202 HydrophobicContact CB-CB 4.43Å; V162-P202 HydrophobicContact CB-CG 3.88Å; V162-P202 HydrophobicContact CG1-CG 4.4Å; V162-P202 HydrophobicContact CG2-CG 3.56Å; V162-V204 HydrophobicContact CG1-CG2 3.7Å; V162-A214 HydrophobicContact CG2-CB 3.68Å; V162-I217 HydrophobicContact CG1-CG2 4.43Å; V162-I217 HydrophobicContact CG2-CB 4.27Å; V162-I217 HydrophobicContact CG2-CG2 4.29Å
163R94.1Very high93.5Very high44 Ų4465.1 Ų65.117%0.16630%0.296CS..Hα-helixtrans-55.9-46.4173.4-67.7168.289.2-128.5-3.1111.2T146 C159 E160 I165 F166 Q167 E175T146-R163 HydrophobicContact CG2-CG 4.27Å; C159-R163 VanDerWaalsContact O-CG 3.26Å; C159-R163 WeakPolarHBondContact O-CG 3.48Å; C159-R163 PolarHBondContact O-N 3.42Å; E160-R163 WeakPolarHBondContact OE1-CD 3.35Å; E160-R163 IonicContact OE1-CZ 3.99Å; E160-R163 IonicContact OE1-NE 2.82Å; E160-R163 IonicContact OE1-NH1 3.5Å; E160-R163 PolarHBondContact OE1-NH1 3.08Å; E160-R163 IonicContact OE2-NH1 3.54Å; R163-I165 PolarHBondContact O-N 2.93Å; R163-F166 PolarHBondContact O-N 3.26Å; R163-Q167 WeakPolarHBondContact O-CB 3.44Å; R163-Q167 WeakPolarHBondContact O-CG 3.19Å; R163-Q167 PolarHBondContact O-N 2.71Å; R163-E175 IonicContact CZ-OE1 3.16Å; R163-E175 IonicContact CZ-OE2 2.67Å; R163-E175 IonicContact NE-OE1 3.83Å; R163-E175 PolarHBondContact NE-OE1 3.32Å; R163-E175 IonicContact NE-OE2 3.71Å; R163-E175 PolarHBondContact NE-OE2 2.94Å; R163-E175 IonicContact NH2-OE1 3.56Å; R163-E175 IonicContact NH2-OE2 3.62Å; R163-E175 PolarHBondContact NH2-OE2 3.03Å
164K94Very high93.3Very high111 Ų11159.7 Ų59.748%0.48328%0.279SS..Hα-helixtrans-64.7-37.3178.5-74169.9-176.6179.40113.3E160 L161 V162 Q167 N168E160-K164 WeakPolarHBondContact O-CB 3.44Å; E160-K164 VanDerWaalsContact O-CG 3.24Å; E160-K164 WeakPolarHBondContact O-CG 3.44Å; E160-K164 PolarHBondContact O-N 3.04Å; L161-K164 PolarHBondContact O-N 3.4Å; V162-K164 VanDerWaalsContact C-N 3.31Å; V162-K164 PolarHBondContact O-N 3.1Å; K164-Q167 PolarHBondContact O-N 3.19Å; K164-N168 WeakPolarHBondContact O-CB 3.26Å; K164-N168 PolarHBondContact O-N 3.44Å; K164-N168 PolarHBondContact O-ND2 3.38Å; K164-N168 PolarHBondContact O-OD1 3.19Å
165I95.7Very high93.2Very high9 Ų957.9 Ų57.95%0.04627%0.265CS..Hα-helixtrans-58.1-53.8175.2-72.6167.1000110.2L161 V162 R163 Q167 N168 H169 I217 L218 N221 L226L161-I165 HydrophobicContact CD1-CD1 4.36Å; L161-I165 HydrophobicContact CG-CD1 4.2Å; L161-I165 WeakPolarHBondContact O-CG1 3.47Å; L161-I165 PolarHBondContact O-N 2.87Å; V162-I165 PolarHBondContact O-N 2.89Å; R163-I165 PolarHBondContact O-N 2.93Å; I165-Q167 PolarHBondContact O-N 3.4Å; I165-N168 PolarHBondContact O-N 2.86Å; I165-H169 PolarHBondContact O-CD2 2.9Å; I165-H169 VanDerWaalsContact O-CD2 3.23Å; I165-H169 PolarHBondContact O-N 3.2Å; I165-H169 VanDerWaalsContact O-N 3.1Å; I165-I217 HydrophobicContact CD1-CG2 4.23Å; I165-I217 HydrophobicContact CG2-CG2 4.22Å; I165-L218 HydrophobicContact CD1-CD1 4.28Å; I165-N221 HydrophobicContact CG2-CB 4.13Å; I165-L226 HydrophobicContact CG2-CD2 3.55Å
166F93.9Very high93.2Very high0 Ų056.8 Ų56.80%026%0.257CS..Hα-helixtrans-69.3-31.2-179.6-70.2-74.3000113.5I142 I144 V162 R163 R170 V171 F173 V204 I206 I217 L226 L230I142-F166 HydrophobicContact CD1-CD1 3.82Å; I142-F166 HydrophobicContact CD1-CE1 4.15Å; I142-F166 HydrophobicContact CG2-CD1 4.35Å; I142-F166 HydrophobicContact CG2-CE1 4.2Å; I142-F166 HydrophobicContact CG2-CZ 4.42Å; I144-F166 HydrophobicContact CD1-CB 4.21Å; I144-F166 HydrophobicContact CD1-CD2 3.39Å; I144-F166 HydrophobicContact CD1-CE2 4Å; I144-F166 HydrophobicContact CD1-CG 3.96Å; I144-F166 HydrophobicContact CG1-CD2 4.42Å; V162-F166 HydrophobicContact CG1-CD2 4Å; V162-F166 HydrophobicContact CG1-CE2 3.86Å; V162-F166 WeakPolarHBondContact O-CD2 3.2Å; V162-F166 PolarHBondContact O-N 3.48Å; R163-F166 PolarHBondContact O-N 3.26Å; F166-R170 PolarHBondContact O-N 2.88Å; F166-V171 HydrophobicContact CB-CG2 4.22Å; F166-V171 HydrophobicContact CD1-CG2 3.91Å; F166-V171 WeakPolarHBondContact O-CG2 3.19Å; F166-V171 PolarHBondContact O-N 3.06Å; F166-F173 HydrophobicContact CB-CD1 3.67Å; F166-F173 HydrophobicContact CB-CE1 3.76Å; F166-F173 HydrophobicContact CB-CG 4.44Å; F166-V204 HydrophobicContact CE2-CG1 4.05Å; F166-V204 HydrophobicContact CE2-CG2 3.95Å; F166-V204 HydrophobicContact CZ-CG1 3.85Å; F166-V204 HydrophobicContact CZ-CG2 4.5Å; F166-I206 HydrophobicContact CE1-CD1 4.36Å; F166-I217 HydrophobicContact CE2-CG2 3.87Å; F166-I217 HydrophobicContact CZ-CG2 4.17Å; F166-L226 HydrophobicContact CE1-CD1 3.92Å; F166-L226 HydrophobicContact CE1-CD2 4.32Å; F166-L226 HydrophobicContact CE1-CG 4.46Å; F166-L226 HydrophobicContact CZ-CD1 3.99Å; F166-L226 HydrophobicContact CZ-CD2 4.34Å; F166-L230 HydrophobicContact CD1-CD1 4.1Å; F166-L230 HydrophobicContact CD1-CD2 4.22Å; F166-L230 HydrophobicContact CE1-CD1 4.14Å; F166-L230 HydrophobicContact CE1-CD2 4.01Å; F166-L230 HydrophobicContact CE1-CG 4.5Å
167Q90.9Very high93.1Very high83 Ų8355.7 Ų55.739%0.38825%0.252SS..Hα-helixtrans-62.7-42.3170.1-73.9167.8-18.300112.2R163 K164 I165 R170 F173R163-Q167 WeakPolarHBondContact O-CB 3.44Å; R163-Q167 WeakPolarHBondContact O-CG 3.19Å; R163-Q167 PolarHBondContact O-N 2.71Å; K164-Q167 PolarHBondContact O-N 3.19Å; I165-Q167 PolarHBondContact O-N 3.4Å; Q167-R170 WeakPolarHBondContact O-CA 3.26Å; Q167-R170 PolarHBondContact O-N 3.47Å; Q167-F173 HydrophobicContact CG-CE1 3.93Å; Q167-F173 HydrophobicContact CG-CZ 4Å
168N92.3Very high93Very high130 Ų13053 Ų5370%0.69524%0.241SC*.Hα-helixtrans-66.7-37.6178.6-71.8-13.3000112.3K164 I165 R170K164-N168 WeakPolarHBondContact O-CB 3.26Å; K164-N168 PolarHBondContact O-N 3.44Å; K164-N168 PolarHBondContact O-ND2 3.38Å; K164-N168 PolarHBondContact O-OD1 3.19Å; I165-N168 PolarHBondContact O-N 2.86Å; N168-R170 PolarHBondContact O-N 3.33Å
169H91.6Very high92.8Very high46 Ų4650.7 Ų50.721%0.21324%0.238CC..THydrogen-bonded Turntrans-68.2-6.1170.9-77.1-67.7000113.9I165 V171 N221 L230I165-H169 PolarHBondContact O-CD2 2.9Å; I165-H169 VanDerWaalsContact O-CD2 3.23Å; I165-H169 PolarHBondContact O-N 3.2Å; I165-H169 VanDerWaalsContact O-N 3.1Å; H169-V171 VanDerWaalsContact C-N 3.27Å; H169-V171 HydrophobicContact CB-CG2 4.1Å; H169-V171 PolarHBondContact O-N 3.19Å; H169-N221 PolarHBondContact NE2-OD1 2.97Å; H169-L230 HydrophobicContact CB-CD1 3.64Å
170R90Very high92.6Very high134 Ų13452.2 Ų52.251%0.50625%0.245SC..THydrogen-bonded Turntrans53.639.5-179.3-58.7-170.4-176.5-143.15.4113.4F166 Q167 N168 R235 V236 Q237F166-R170 PolarHBondContact O-N 2.88Å; Q167-R170 WeakPolarHBondContact O-CA 3.26Å; Q167-R170 PolarHBondContact O-N 3.47Å; N168-R170 PolarHBondContact O-N 3.33Å; R170-R235 CarbonylContact O-C 3.55Å; R170-R235 VanDerWaalsContact O-CA 3.27Å; R170-R235 WeakPolarHBondContact O-CA 3.34Å; R170-V236 PolarHBondContact O-N 3.09Å; R170-Q237 PolarHBondContact NH1-O 3.19Å
171V90.7Very high92.4Very high7 Ų750.5 Ų50.54%0.04224%0.238CC..BIsolated β-bridgetrans-104.8149.8178.1-72.60000111.9I142 F166 H169 F173 L230 I233 R235I142-V171 HydrophobicContact CD1-CB 3.86Å; I142-V171 HydrophobicContact CD1-CG2 3.43Å; I142-V171 VanDerWaalsContact CD1-CG2 3.43Å; F166-V171 HydrophobicContact CB-CG2 4.22Å; F166-V171 HydrophobicContact CD1-CG2 3.91Å; F166-V171 WeakPolarHBondContact O-CG2 3.19Å; F166-V171 PolarHBondContact O-N 3.06Å; H169-V171 VanDerWaalsContact C-N 3.27Å; H169-V171 HydrophobicContact CB-CG2 4.1Å; H169-V171 PolarHBondContact O-N 3.19Å; V171-F173 WeakPolarHBondContact O-CD1 3.46Å; V171-L230 HydrophobicContact CB-CD2 4.4Å; V171-L230 HydrophobicContact CG1-CB 4.21Å; V171-L230 HydrophobicContact CG1-CD1 4.27Å; V171-L230 HydrophobicContact CG1-CD2 4.19Å; V171-L230 HydrophobicContact CG1-CG 4.46Å; V171-L230 HydrophobicContact CG2-CD1 3.93Å; V171-L230 HydrophobicContact CG2-CD2 3.94Å; V171-I233 HydrophobicContact CB-CG2 4.26Å; V171-I233 HydrophobicContact CG1-CG2 4.46Å; V171-R235 HydrophobicContact CG1-CG 4.38Å
172K87.8Confident92Very high108 Ų10848.8 Ų48.847%0.4723%0.232SC..  trans-76.8126176.6-166.8173.4-178.2173.90110.4E234 V236K172-E234 HydrophobicContact CB-CB 4.34Å; K172-E234 HydrophobicContact CD-CB 4.26Å; K172-E234 VanDerWaalsContact CD-CD 3.41Å; K172-E234 HydrophobicContact CD-CG 4.26Å; K172-E234 WeakPolarHBondContact CD-OE2 3.46Å; K172-E234 WeakPolarHBondContact CE-OE2 3.38Å; K172-E234 PolarHBondContact N-O 3Å; K172-E234 IonicContact NZ-OE1 2.64Å; K172-E234 PolarHBondContact NZ-OE1 2.92Å; K172-E234 IonicContact NZ-OE2 2.71Å; K172-E234 PolarHBondContact NZ-OE2 3.44Å; K172-V236 HydrophobicContact CB-CG2 3.85Å; K172-V236 HydrophobicContact CG-CG2 4.43Å
173F90.3Very high91.8Very high48 Ų4853 Ų5321%0.21125%0.254CS..EExtended strand (participates in β ladder)trans-137.5148.9177.763.5-95.9000112.3I142 I144 F166 Q167 V171 E175I142-F173 HydrophobicContact CB-CB 3.67Å; I142-F173 HydrophobicContact CD1-CB 4.23Å; I142-F173 HydrophobicContact CG2-CB 3.87Å; I142-F173 WeakPolarHBondContact O-CA 3.22Å; I144-F173 HydrophobicContact CD1-CB 4.17Å; I144-F173 HydrophobicContact CD1-CD1 4.39Å; I144-F173 HydrophobicContact CD1-CD2 3.54Å; I144-F173 HydrophobicContact CD1-CE2 3.93Å; I144-F173 HydrophobicContact CD1-CG 3.8Å; I144-F173 HydrophobicContact CD1-CZ 4.49Å; I144-F173 HydrophobicContact CG1-CB 4.38Å; I144-F173 HydrophobicContact CG1-CD2 4.1Å; I144-F173 HydrophobicContact CG1-CG 4.44Å; F166-F173 HydrophobicContact CB-CD1 3.67Å; F166-F173 HydrophobicContact CB-CE1 3.76Å; F166-F173 HydrophobicContact CB-CG 4.44Å; Q167-F173 HydrophobicContact CG-CE1 3.93Å; Q167-F173 HydrophobicContact CG-CZ 4Å; V171-F173 WeakPolarHBondContact O-CD1 3.46Å; F173-E175 HydrophobicContact CE2-CB 4.43Å
174E90.1Very high91.7Very high77 Ų7751.6 Ų51.636%0.3625%0.249SC..EExtended strand (participates in β ladder)trans-91.3124.3170.8-170.2-171.2156.600109.9I142 I144 K176I142-E174 PolarHBondContact O-N 3.14Å; I144-E174 PolarHBondContact N-O 3.09Å; E174-K176 VanDerWaalsContact CD-CE 3.44Å; E174-K176 HydrophobicContact CG-CG 4.34Å; E174-K176 WeakPolarHBondContact OE1-CE 3.46Å; E174-K176 WeakPolarHBondContact OE1-CG 2.95Å
175E91.7Very high91.7Very high48 Ų4847.6 Ų47.622%0.22424%0.239CC..EExtended strand (participates in β ladder)trans-96108.1173.8-173176.3175.700111.9I144 T146 R163 F173 N177I144-E175 CarbonylContact O-C 3.5Å; I144-E175 WeakPolarHBondContact O-CA 3.5Å; T146-E175 WeakPolarHBondContact CB-OE1 3.35Å; T146-E175 HydrophobicContact CG2-CG 3.83Å; T146-E175 WeakPolarHBondContact CG2-OE1 3.42Å; T146-E175 WeakPolarHBondContact OG1-CG 3.46Å; T146-E175 PolarHBondContact OG1-OE1 2.82Å; R163-E175 IonicContact CZ-OE1 3.16Å; R163-E175 IonicContact CZ-OE2 2.67Å; R163-E175 IonicContact NE-OE1 3.83Å; R163-E175 PolarHBondContact NE-OE1 3.32Å; R163-E175 IonicContact NE-OE2 3.71Å; R163-E175 PolarHBondContact NE-OE2 2.94Å; R163-E175 IonicContact NH2-OE1 3.56Å; R163-E175 IonicContact NH2-OE2 3.62Å; R163-E175 PolarHBondContact NH2-OE2 3.03Å; F173-E175 HydrophobicContact CE2-CB 4.43Å; E175-N177 PolarHBondContact O-N 3.34Å
176K93.3Very high91.5Very high12 Ų1252.7 Ų52.75%0.05226%0.261CS..EExtended strand (participates in β ladder)trans-94.276.8175.9-70.5-174.9-176172.60110.8E138 V143 I144 Y145 T146 E174 I178 Y184 E187E138-K176 IonicContact OE1-NZ 2.83Å; V143-K176 HydrophobicContact CG1-CD 3.55Å; V143-K176 HydrophobicContact CG1-CG 4.01Å; I144-K176 PolarHBondContact O-N 2.86Å; Y145-K176 WeakPolarHBondContact CA-O 3.41Å; Y145-K176 HydrophobicContact CD1-CB 3.64Å; Y145-K176 HydrophobicContact CD1-CD 4.35Å; Y145-K176 HydrophobicContact CE1-CB 3.7Å; Y145-K176 HydrophobicContact CE1-CD 3.55Å; Y145-K176 HydrophobicContact CE1-CG 4.27Å; Y145-K176 HydrophobicContact CE2-CD 4.38Å; Y145-K176 HydrophobicContact CG-CB 4.24Å; Y145-K176 WeakPolarHBondContact OH-CD 3.47Å; Y145-K176 PolarHBondContact OH-NZ 3.44Å; T146-K176 PolarHBondContact N-O 2.98Å; E174-K176 VanDerWaalsContact CD-CE 3.44Å; E174-K176 HydrophobicContact CG-CG 4.34Å; E174-K176 WeakPolarHBondContact OE1-CE 3.46Å; E174-K176 WeakPolarHBondContact OE1-CG 2.95Å; K176-I178 PolarHBondContact O-N 3.42Å; K176-Y184 HydrophobicContact CB-CD1 4.38Å; K176-Y184 HydrophobicContact CB-CD2 3.77Å; K176-Y184 HydrophobicContact CB-CE2 4.17Å; K176-Y184 HydrophobicContact CB-CG 3.89Å; K176-Y184 HydrophobicContact CD-CD1 4.11Å; K176-Y184 HydrophobicContact CD-CE1 4.31Å; K176-Y184 HydrophobicContact CD-CG 4.43Å; K176-Y184 HydrophobicContact CG-CD1 4.23Å; K176-Y184 HydrophobicContact CG-CD2 4.21Å; K176-Y184 HydrophobicContact CG-CE1 4.26Å; K176-Y184 HydrophobicContact CG-CE2 4.19Å; K176-Y184 HydrophobicContact CG-CG 4.23Å; K176-E187 WeakPolarHBondContact CD-OE2 3.38Å; K176-E187 IonicContact NZ-OE1 3.18Å; K176-E187 PolarHBondContact NZ-OE1 2.92Å; K176-E187 IonicContact NZ-OE2 2.96Å; K176-E187 PolarHBondContact NZ-OE2 3.34Å; K176-E187 VanDerWaalsContact NZ-OE2 3.16Å
177N93.3Very high91.5Very high8 Ų855 Ų554%0.04327%0.272CS..EExtended strand (participates in β ladder)trans-70.1108.2177.6-178.3-18.5000111.5T146 S148 E175 A179 L180T146-N177 WeakPolarHBondContact O-CA 3.33Å; T146-N177 WeakPolarHBondContact OG1-CA 3.42Å; S148-N177 VanDerWaalsContact CB-ND2 3.34Å; S148-N177 WeakPolarHBondContact CB-ND2 3.31Å; S148-N177 PolarHBondContact N-OD1 2.89Å; S148-N177 PolarHBondContact OG-ND2 3.1Å; E175-N177 PolarHBondContact O-N 3.34Å; N177-A179 PolarHBondContact O-N 3.21Å; N177-A179 WeakPolarHBondContact OD1-CB 3.26Å; N177-A179 PolarHBondContact OD1-N 3.21Å; N177-A179 VanDerWaalsContact OD1-N 3.07Å; N177-L180 HydrophobicContact CB-CD1 4.15Å; N177-L180 HydrophobicContact CB-CG 4.24Å; N177-L180 PolarHBondContact O-N 3.03Å
178I93.8Very high91.6Very high52 Ų5251.4 Ų51.427%0.26726%0.255SS..THydrogen-bonded Turntrans-67-19.5-173.270.2158.5000113.7Y145 T146 K176 N181 L201Y145-I178 HydrophobicContact CD1-CG2 4.4Å; T146-I178 PolarHBondContact O-N 2.99Å; K176-I178 PolarHBondContact O-N 3.42Å; I178-N181 CarbonylContact O-C 3.5Å; I178-L201 HydrophobicContact CD1-CD1 3.7Å; I178-L201 HydrophobicContact CG1-CD1 3.97Å
179A91.7Very high91.6Very high26 Ų2648.3 Ų48.322%0.21524%0.239CC..THydrogen-bonded Turntrans-76.7-26.117900000112.7L149 N177 N283L149-A179 HydrophobicContact CD1-CB 3.67Å; L149-A179 HydrophobicContact CD2-CB 4.36Å; L149-A179 HydrophobicContact CG-CB 3.57Å; N177-A179 PolarHBondContact O-N 3.21Å; N177-A179 WeakPolarHBondContact OD1-CB 3.26Å; N177-A179 PolarHBondContact OD1-N 3.21Å; N177-A179 VanDerWaalsContact OD1-N 3.07Å; A179-N283 PolarHBondContact O-ND2 2.92Å; A179-N283 VanDerWaalsContact O-ND2 3.1Å
180L91.1Very high91.6Very high33 Ų3349.2 Ų49.217%0.17324%0.243CC..THydrogen-bonded Turntrans-82.3-27.5177.4-58.1-178.5000111.6N177 F248 F250 N281 N283 L285N177-L180 HydrophobicContact CB-CD1 4.15Å; N177-L180 HydrophobicContact CB-CG 4.24Å; N177-L180 PolarHBondContact O-N 3.03Å; L180-F248 WeakPolarHBondContact CD1-O 3.3Å; L180-F250 HydrophobicContact CB-CD2 3.94Å; L180-F250 HydrophobicContact CB-CE2 4.18Å; L180-F250 HydrophobicContact CB-CG 4.42Å; L180-F250 HydrophobicContact CD1-CB 4.48Å; L180-F250 HydrophobicContact CD1-CD2 3.86Å; L180-N281 PolarHBondContact O-ND2 2.85Å; L180-N283 PolarHBondContact O-ND2 2.65Å; L180-L285 HydrophobicContact CB-CD1 4.12Å; L180-L285 HydrophobicContact CD2-CD1 3.94Å
181N90.4Very high91.6Very high13 Ų1343.6 Ų43.67%0.0722%0.222CC..  trans-149.4113.5-176.4-172.338000112.6I178 D183 Y184 F250I178-N181 CarbonylContact O-C 3.5Å; N181-D183 PolarHBondContact O-N 2.83Å; N181-Y184 HydrophobicContact CB-CD2 3.9Å; N181-Y184 HydrophobicContact CB-CE2 4.05Å; N181-Y184 HydrophobicContact CB-CG 4.34Å; N181-Y184 PolarHBondContact O-N 2.87Å; N181-F250 HydrophobicContact CB-CE1 4.38Å; N181-F250 HydrophobicContact CB-CE2 4.49Å; N181-F250 HydrophobicContact CB-CZ 3.84Å
182S89.4Confident91.6Very high36 Ų3643.2 Ų43.225%0.25222%0.22SC..Hα-helixtrans-65.9-21-17868.50000114.2Y184 G185 K186 E282S182-Y184 PolarHBondContact O-N 3.23Å; S182-G185 PolarHBondContact O-N 3.43Å; S182-K186 PolarHBondContact O-N 3.31Å; S182-K186 VanDerWaalsContact O-N 3.14Å; S182-K186 WeakPolarHBondContact OG-CE 3.41Å; S182-K186 PolarHBondContact OG-NZ 3.33Å; S182-E282 WeakPolarHBondContact CB-OE1 3.4Å; S182-E282 PolarHBondContact N-OE1 3.25Å; S182-E282 PolarHBondContact OG-OE1 3.39Å
183D91.2Very high91.7Very high87 Ų8745.1 Ų45.147%0.46522%0.224SC..Hα-helixtrans-62.9-30.5176.2-62.9-37.9000112.2N181 G185 K186 E187N181-D183 PolarHBondContact O-N 2.83Å; D183-G185 VanDerWaalsContact C-N 3.3Å; D183-G185 PolarHBondContact O-N 3.24Å; D183-K186 PolarHBondContact O-N 3.14Å; D183-K186 IonicContact OD1-NZ 3.36Å; D183-K186 PolarHBondContact OD1-NZ 3.47Å; D183-E187 VanDerWaalsContact O-CB 3.31Å; D183-E187 WeakPolarHBondContact O-CB 3.23Å; D183-E187 PolarHBondContact O-N 2.94Å
184Y93.4Very high91.6Very high16 Ų1648.2 Ų48.26%0.06323%0.234CC..Hα-helixtrans-68.9-29172.9-61-24.2000112.6K176 N181 S182 L188 F250 R287K176-Y184 HydrophobicContact CB-CD1 4.38Å; K176-Y184 HydrophobicContact CB-CD2 3.77Å; K176-Y184 HydrophobicContact CB-CE2 4.17Å; K176-Y184 HydrophobicContact CB-CG 3.89Å; K176-Y184 HydrophobicContact CD-CD1 4.11Å; K176-Y184 HydrophobicContact CD-CE1 4.31Å; K176-Y184 HydrophobicContact CD-CG 4.43Å; K176-Y184 HydrophobicContact CG-CD1 4.23Å; K176-Y184 HydrophobicContact CG-CD2 4.21Å; K176-Y184 HydrophobicContact CG-CE1 4.26Å; K176-Y184 HydrophobicContact CG-CE2 4.19Å; K176-Y184 HydrophobicContact CG-CG 4.23Å; N181-Y184 HydrophobicContact CB-CD2 3.9Å; N181-Y184 HydrophobicContact CB-CE2 4.05Å; N181-Y184 HydrophobicContact CB-CG 4.34Å; N181-Y184 PolarHBondContact O-N 2.87Å; S182-Y184 PolarHBondContact O-N 3.23Å; Y184-L188 VanDerWaalsContact O-CB 3.26Å; Y184-L188 WeakPolarHBondContact O-CB 3.27Å; Y184-L188 PolarHBondContact O-N 2.92Å; Y184-F250 AromaticContact CE2-CE2 3.87Å; Y184-F250 HydrophobicContact CE2-CE2 3.87Å; Y184-F250 AromaticContact CE2-CZ 3.91Å; Y184-F250 HydrophobicContact CE2-CZ 3.91Å; Y184-R287 PolarHBondContact OH-NH2 3.42Å
185G92.9Very high91.5Very high26 Ų2647.9 Ų47.927%0.26824%0.237SC..Hα-helixtrans-69.5-40.9171.900000112.3S182 D183 L188 D189S182-G185 PolarHBondContact O-N 3.43Å; D183-G185 VanDerWaalsContact C-N 3.3Å; D183-G185 PolarHBondContact O-N 3.24Å; G185-L188 PolarHBondContact O-N 3.17Å; G185-D189 PolarHBondContact O-N 2.85Å
186K92.6Very high91.3Very high116 Ų11651.4 Ų51.450%0.50427%0.266SS..Hα-helixtrans-65.6-42.2174.9-59.6162.5-149.6157.50111.1S182 D183 E190S182-K186 PolarHBondContact O-N 3.31Å; S182-K186 VanDerWaalsContact O-N 3.14Å; S182-K186 WeakPolarHBondContact OG-CE 3.41Å; S182-K186 PolarHBondContact OG-NZ 3.33Å; D183-K186 PolarHBondContact O-N 3.14Å; D183-K186 IonicContact OD1-NZ 3.36Å; D183-K186 PolarHBondContact OD1-NZ 3.47Å; K186-E190 WeakPolarHBondContact O-CB 3.49Å; K186-E190 PolarHBondContact O-N 3.38Å
187E92.9Very high91.1Very high50 Ų5055.1 Ų55.123%0.23428%0.283CS..Hα-helixtrans-62.5-45.2175.7-167.3-165176.200111.4Y145 K176 D183 R191Y145-E187 PolarHBondContact OH-OE1 2.83Å; Y145-E187 VanDerWaalsContact OH-OE1 3.05Å; Y145-E187 PolarHBondContact OH-OE2 3.4Å; K176-E187 WeakPolarHBondContact CD-OE2 3.38Å; K176-E187 IonicContact NZ-OE1 3.18Å; K176-E187 PolarHBondContact NZ-OE1 2.92Å; K176-E187 IonicContact NZ-OE2 2.96Å; K176-E187 PolarHBondContact NZ-OE2 3.34Å; K176-E187 VanDerWaalsContact NZ-OE2 3.16Å; D183-E187 VanDerWaalsContact O-CB 3.31Å; D183-E187 WeakPolarHBondContact O-CB 3.23Å; D183-E187 PolarHBondContact O-N 2.94Å; E187-R191 WeakPolarHBondContact O-CB 3.23Å; E187-R191 VanDerWaalsContact O-CG 3.31Å; E187-R191 WeakPolarHBondContact O-CG 3.36Å; E187-R191 PolarHBondContact O-N 3.45Å; E187-R191 IonicContact OE1-CZ 2.74Å; E187-R191 IonicContact OE1-NE 2.76Å; E187-R191 PolarHBondContact OE1-NE 3.14Å; E187-R191 IonicContact OE1-NH2 2.71Å; E187-R191 PolarHBondContact OE1-NH2 2.98Å
188L94.1Very high90.8Very high6 Ų660.3 Ų60.33%0.03132%0.315CS..Hα-helixtrans-63.5-49178.7177.161.3000112.3Y145 Y184 G185 E190 R191 C192 P199 L201 V203 F205Y145-L188 HydrophobicContact CD1-CB 3.83Å; Y145-L188 HydrophobicContact CD1-CD1 4.29Å; Y145-L188 HydrophobicContact CD1-CD2 4.34Å; Y145-L188 HydrophobicContact CD1-CG 4.37Å; Y145-L188 HydrophobicContact CD2-CD1 3.86Å; Y145-L188 HydrophobicContact CE1-CB 4.01Å; Y145-L188 HydrophobicContact CE2-CD1 4.32Å; Y145-L188 HydrophobicContact CG-CB 4.26Å; Y145-L188 HydrophobicContact CG-CD1 3.85Å; Y145-L188 HydrophobicContact CG-CD2 4.19Å; Y145-L188 HydrophobicContact CG-CG 4.32Å; Y184-L188 VanDerWaalsContact O-CB 3.26Å; Y184-L188 WeakPolarHBondContact O-CB 3.27Å; Y184-L188 PolarHBondContact O-N 2.92Å; G185-L188 PolarHBondContact O-N 3.17Å; L188-E190 VanDerWaalsContact C-N 3.31Å; L188-E190 PolarHBondContact O-N 3.23Å; L188-R191 PolarHBondContact O-N 3.07Å; L188-C192 WeakPolarHBondContact O-CB 3.49Å; L188-C192 PolarHBondContact O-N 2.89Å; L188-P199 HydrophobicContact CD2-CB 4.03Å; L188-P199 HydrophobicContact CG-CB 3.92Å; L188-L201 HydrophobicContact CD2-CD2 3.73Å; L188-V203 HydrophobicContact CD1-CB 3.89Å; L188-V203 HydrophobicContact CD1-CG1 3.95Å; L188-V203 HydrophobicContact CD1-CG2 4.14Å; L188-V203 HydrophobicContact CD2-CG2 4.41Å; L188-F205 HydrophobicContact CD1-CE2 3.93Å; L188-F205 HydrophobicContact CD1-CZ 4.38Å
189D92.3Very high90.4Very high66 Ų6660.1 Ų60.135%0.35332%0.317SS..Hα-helixtrans-57.7-45.3179-177.475.3000111.4G185 C192 R193G185-D189 PolarHBondContact O-N 2.85Å; D189-C192 PolarHBondContact O-N 3.37Å; D189-R193 WeakPolarHBondContact O-CB 3.42Å; D189-R193 PolarHBondContact O-N 3.05Å; D189-R193 IonicContact OD2-CZ 2.86Å; D189-R193 IonicContact OD2-NE 2.73Å; D189-R193 IonicContact OD2-NH2 2.72Å; D189-R193 PolarHBondContact OD2-NH2 3.48Å
190E91.1Very high90.4Very high65 Ų6562.5 Ų62.530%0.30433%0.332SS..Hα-helixtrans-74.1-24.8179.5178.838.1-130.900113.1K186 L188 R193 R194K186-E190 WeakPolarHBondContact O-CB 3.49Å; K186-E190 PolarHBondContact O-N 3.38Å; L188-E190 VanDerWaalsContact C-N 3.31Å; L188-E190 PolarHBondContact O-N 3.23Å; E190-R193 IonicContact OE2-CZ 2.67Å; E190-R193 IonicContact OE2-NE 2.7Å; E190-R193 IonicContact OE2-NH1 3.14Å; E190-R193 PolarHBondContact OE2-NH1 3Å; E190-R194 PolarHBondContact O-NE 3.4Å; E190-R194 PolarHBondContact O-NH2 3.33Å; E190-R194 IonicContact OE1-CZ 2.66Å; E190-R194 IonicContact OE1-NE 3.48Å; E190-R194 PolarHBondContact OE1-NE 3.15Å; E190-R194 IonicContact OE1-NH2 3.36Å; E190-R194 PolarHBondContact OE1-NH2 2.74Å
191R90.5Very high90.6Very high15 Ų1562 Ų626%0.05733%0.33CS..Hα-helixtrans-70.8-52.3166.1-76.4178.6-175.6-122.85.8111.7E138 Y145 E187 L188 R193 R194 F205E138-R191 IonicContact OE1-CZ 3.02Å; E138-R191 IonicContact OE1-NH1 3.8Å; E138-R191 PolarHBondContact OE1-NH1 3.02Å; E138-R191 IonicContact OE1-NH2 3.33Å; E138-R191 PolarHBondContact OE1-NH2 2.64Å; E138-R191 IonicContact OE2-CZ 3.48Å; E138-R191 IonicContact OE2-NH1 3.82Å; E138-R191 PolarHBondContact OE2-NH1 3.27Å; E138-R191 IonicContact OE2-NH2 3.85Å; E138-R191 PolarHBondContact OE2-NH2 2.94Å; Y145-R191 PolarHBondContact OH-NE 3.36Å; Y145-R191 VanDerWaalsContact OH-NE 3.1Å; E187-R191 WeakPolarHBondContact O-CB 3.23Å; E187-R191 VanDerWaalsContact O-CG 3.31Å; E187-R191 WeakPolarHBondContact O-CG 3.36Å; E187-R191 PolarHBondContact O-N 3.45Å; E187-R191 IonicContact OE1-CZ 2.74Å; E187-R191 IonicContact OE1-NE 2.76Å; E187-R191 PolarHBondContact OE1-NE 3.14Å; E187-R191 IonicContact OE1-NH2 2.71Å; E187-R191 PolarHBondContact OE1-NH2 2.98Å; L188-R191 PolarHBondContact O-N 3.07Å; R191-R193 VanDerWaalsContact C-N 3.31Å; R191-R193 PolarHBondContact O-N 2.9Å; R191-R194 PolarHBondContact O-N 2.97Å; R191-F205 HydrophobicContact CB-CE1 3.95Å; R191-F205 HydrophobicContact CB-CZ 3.64Å; R191-F205 HydrophobicContact CG-CE1 4.46Å; R191-F205 HydrophobicContact CG-CZ 4.36Å
192C89.9Confident90.9Very high0 Ų061.4 Ų61.40%033%0.326CS..Hα-helixtrans-61-38.1-178.9-75.50000112.3L188 D189 R194 V195 C196 E197 P199L188-C192 WeakPolarHBondContact O-CB 3.49Å; L188-C192 PolarHBondContact O-N 2.89Å; D189-C192 PolarHBondContact O-N 3.37Å; C192-R194 PolarHBondContact O-N 2.83Å; C192-R194 VanDerWaalsContact O-N 3.16Å; C192-V195 CarbonylContact O-C 3.53Å; C192-V195 WeakPolarHBondContact O-CG2 3.2Å; C192-V195 PolarHBondContact O-N 2.76Å; C192-V195 VanDerWaalsContact O-N 3.1Å; C192-C196 PolarHBondContact O-N 3.19Å; C192-C196 VanDerWaalsContact O-N 3.16Å; C192-E197 HydrophobicContact CB-CB 4.47Å; C192-E197 WeakPolarHBondContact CB-O 3.42Å; C192-E197 PolarHBondContact O-N 3.33Å; C192-P199 HydrophobicContact CB-CB 4.28Å
193R89.9Confident91.2Very high147 Ų14759.8 Ų59.856%0.55532%0.315SS*.G310 helixtrans-55.7-30.7175.9-172.9-174.1-61.5164-7.6114.1D189 E190 R191 C196D189-R193 WeakPolarHBondContact O-CB 3.42Å; D189-R193 PolarHBondContact O-N 3.05Å; D189-R193 IonicContact OD2-CZ 2.86Å; D189-R193 IonicContact OD2-NE 2.73Å; D189-R193 IonicContact OD2-NH2 2.72Å; D189-R193 PolarHBondContact OD2-NH2 3.48Å; E190-R193 IonicContact OE2-CZ 2.67Å; E190-R193 IonicContact OE2-NE 2.7Å; E190-R193 IonicContact OE2-NH1 3.14Å; E190-R193 PolarHBondContact OE2-NH1 3Å; R191-R193 VanDerWaalsContact C-N 3.31Å; R191-R193 PolarHBondContact O-N 2.9Å; R193-C196 PolarHBondContact O-N 3.48Å
194R87.6Confident91.4Very high113 Ų11355.6 Ų55.643%0.42629%0.293SS..G310 helixtrans-77.7-25.1179.8-64.2178.1-148.7133.75.2113.7E190 R191 C192E190-R194 PolarHBondContact O-NE 3.4Å; E190-R194 PolarHBondContact O-NH2 3.33Å; E190-R194 IonicContact OE1-CZ 2.66Å; E190-R194 IonicContact OE1-NE 3.48Å; E190-R194 PolarHBondContact OE1-NE 3.15Å; E190-R194 IonicContact OE1-NH2 3.36Å; E190-R194 PolarHBondContact OE1-NH2 2.74Å; R191-R194 PolarHBondContact O-N 2.97Å; C192-R194 PolarHBondContact O-N 2.83Å; C192-R194 VanDerWaalsContact O-N 3.16Å
195V87.3Confident91.5Very high71 Ų7155.1 Ų55.143%0.4329%0.291SS..G310 helixtrans-989.2173.7-640000112C192 E197 Y210C192-V195 CarbonylContact O-C 3.53Å; C192-V195 WeakPolarHBondContact O-CG2 3.2Å; C192-V195 PolarHBondContact O-N 2.76Å; C192-V195 VanDerWaalsContact O-N 3.1Å; V195-E197 HydrophobicContact CB-CG 4.46Å; V195-E197 HydrophobicContact CG2-CB 3.91Å; V195-E197 HydrophobicContact CG2-CG 3.84Å; V195-E197 PolarHBondContact O-N 3.44Å; V195-Y210 HydrophobicContact CG2-CD1 4.18Å; V195-Y210 HydrophobicContact CG2-CD2 4.36Å; V195-Y210 HydrophobicContact CG2-CG 3.98Å
196C87.5Confident91.5Very high121 Ų12154.5 Ų54.582%0.81828%0.281SS*.THydrogen-bonded Turntrans5924.5-177.8-62.50000115C192 R193C192-C196 PolarHBondContact O-N 3.19Å; C192-C196 VanDerWaalsContact O-N 3.16Å; R193-C196 PolarHBondContact O-N 3.48Å
197E89.8Confident91.3Very high91 Ų9150.9 Ų50.943%0.42527%0.267SS..  trans-98.1154.5-177.9-72.9-82.8-155.500112.4C192 V195 Y210C192-E197 HydrophobicContact CB-CB 4.47Å; C192-E197 WeakPolarHBondContact CB-O 3.42Å; C192-E197 PolarHBondContact O-N 3.33Å; V195-E197 HydrophobicContact CB-CG 4.46Å; V195-E197 HydrophobicContact CG2-CB 3.91Å; V195-E197 HydrophobicContact CG2-CG 3.84Å; V195-E197 PolarHBondContact O-N 3.44Å; E197-Y210 HydrophobicContact CB-CE1 4.35Å; E197-Y210 HydrophobicContact CB-CE2 4.44Å; E197-Y210 HydrophobicContact CG-CD1 4.3Å; E197-Y210 HydrophobicContact CG-CE1 3.59Å; E197-Y210 WeakPolarHBondContact OE1-CE1 3.26Å
198V87.3Confident91.1Very high117 Ų11749.6 Ų49.671%0.70927%0.267SS*.  trans-93.7124.4174.7-178.90000109.3S200V198-S200 PolarHBondContact O-N 3.18Å
199P86.1Confident90.9Very high48 Ų4855.7 Ų55.731%0.31230%0.295SS..  trans-67.7103.6-176.626.9-34.9000112L188 C192L188-P199 HydrophobicContact CD2-CB 4.03Å; L188-P199 HydrophobicContact CG-CB 3.92Å; C192-P199 HydrophobicContact CB-CB 4.28Å
200S91.1Very high90.9Very high75 Ų7555.1 Ų55.152%0.52429%0.289SS..  trans-121.1115.1179-173.40000110.3V198 V203V198-S200 PolarHBondContact O-N 3.18Å; S200-V203 VanDerWaalsContact O-CG2 3.23Å; S200-V203 WeakPolarHBondContact O-CG2 3.41Å
201L94.7Very high91Very high24 Ų2452.8 Ų52.813%0.12628%0.278CS..SBendtrans-75.9149-168.4-69.6179.8000114.3Y145 T147 T155 I178 L188Y145-L201 WeakPolarHBondContact O-CD2 3.43Å; T147-L201 HydrophobicContact CG2-CD1 3.68Å; T155-L201 HydrophobicContact CG2-CB 3.82Å; I178-L201 HydrophobicContact CD1-CD1 3.7Å; I178-L201 HydrophobicContact CG1-CD1 3.97Å; L188-L201 HydrophobicContact CD2-CD2 3.73Å
202P96.3Very high91.2Very high0 Ų052.2 Ų52.20%028%0.277CS..SBendcis-73156.6-9.133.4-37.8000111.7Y145 R158 C159 V162 G213 A214Y145-P202 VanDerWaalsContact O-CA 3.28Å; Y145-P202 WeakPolarHBondContact O-CA 3.3Å; Y145-P202 WeakPolarHBondContact O-CB 3.25Å; R158-P202 HydrophobicContact CB-CG 4.48Å; R158-P202 WeakPolarHBondContact O-CG 3.49Å; C159-P202 HydrophobicContact CB-CB 4.44Å; V162-P202 HydrophobicContact CB-CB 4.43Å; V162-P202 HydrophobicContact CB-CG 3.88Å; V162-P202 HydrophobicContact CG1-CG 4.4Å; V162-P202 HydrophobicContact CG2-CG 3.56Å; P202-G213 VanDerWaalsContact O-CA 3.23Å; P202-G213 WeakPolarHBondContact O-CA 3.43Å; P202-A214 HydrophobicContact CG-CB 3.88Å
203V96.8Very high91.4Very high1 Ų153 Ų531%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-123.7134.6173.3-178.90000109.6Y145 L188 S200 F205 Y210Y145-V203 PolarHBondContact N-O 3.26Å; Y145-V203 PolarHBondContact O-N 3.2Å; Y145-V203 VanDerWaalsContact O-N 3.14Å; L188-V203 HydrophobicContact CD1-CB 3.89Å; L188-V203 HydrophobicContact CD1-CG1 3.95Å; L188-V203 HydrophobicContact CD1-CG2 4.14Å; L188-V203 HydrophobicContact CD2-CG2 4.41Å; S200-V203 VanDerWaalsContact O-CG2 3.23Å; S200-V203 WeakPolarHBondContact O-CG2 3.41Å; V203-F205 HydrophobicContact CG1-CD2 4.26Å; V203-F205 HydrophobicContact CG1-CE2 3.61Å; V203-F205 HydrophobicContact CG1-CZ 4.21Å; V203-Y210 HydrophobicContact CG1-CD2 3.86Å; V203-Y210 HydrophobicContact CG1-CE2 3.59Å
204V96.3Very high91.7Very high0 Ų046.2 Ų46.20%026%0.26CS..EExtended strand (participates in β ladder)trans-114.7137.8-178.6-177.70000111.2I142 I144 V162 F166 I206 L211 G212 I217I142-V204 HydrophobicContact CG2-CG1 4.16Å; I144-V204 HydrophobicContact CG1-CG2 4.42Å; I144-V204 HydrophobicContact CG2-CG2 4.23Å; V162-V204 HydrophobicContact CG1-CG2 3.7Å; F166-V204 HydrophobicContact CE2-CG1 4.05Å; F166-V204 HydrophobicContact CE2-CG2 3.95Å; F166-V204 HydrophobicContact CZ-CG1 3.85Å; F166-V204 HydrophobicContact CZ-CG2 4.5Å; V204-I206 HydrophobicContact CG1-CG1 4.26Å; V204-L211 HydrophobicContact CB-CB 4.39Å; V204-L211 HydrophobicContact CG1-CB 4.32Å; V204-L211 HydrophobicContact CG1-CD2 4.17Å; V204-L211 PolarHBondContact O-N 3.32Å; V204-G212 PolarHBondContact N-O 3.18Å; V204-G212 PolarHBondContact O-N 3.2Å; V204-I217 HydrophobicContact CB-CD1 3.84Å; V204-I217 HydrophobicContact CB-CG1 4.35Å; V204-I217 HydrophobicContact CG1-CD1 4.22Å; V204-I217 HydrophobicContact CG2-CD1 3.84Å; V204-I217 HydrophobicContact CG2-CG1 3.85Å
205F94.5Very high92.1Very high6 Ų646.5 Ų46.53%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-120.3144.2165.9-62.1-104.2000109.8I142 V143 Y145 L188 R191 V203 H209 Y210I142-F205 WeakPolarHBondContact CA-O 3.48Å; V143-F205 HydrophobicContact CB-CB 4.44Å; V143-F205 PolarHBondContact N-O 2.62Å; V143-F205 PolarHBondContact O-N 2.96Å; Y145-F205 AromaticContact CD2-CD2 3.82Å; Y145-F205 HydrophobicContact CD2-CD2 3.82Å; Y145-F205 AromaticContact CD2-CE2 3.77Å; Y145-F205 HydrophobicContact CD2-CE2 3.77Å; Y145-F205 AromaticContact CE2-CD2 3.58Å; Y145-F205 HydrophobicContact CE2-CD2 3.58Å; Y145-F205 AromaticContact CE2-CE2 3.6Å; Y145-F205 HydrophobicContact CE2-CE2 3.6Å; L188-F205 HydrophobicContact CD1-CE2 3.93Å; L188-F205 HydrophobicContact CD1-CZ 4.38Å; R191-F205 HydrophobicContact CB-CE1 3.95Å; R191-F205 HydrophobicContact CB-CZ 3.64Å; R191-F205 HydrophobicContact CG-CE1 4.46Å; R191-F205 HydrophobicContact CG-CZ 4.36Å; V203-F205 HydrophobicContact CG1-CD2 4.26Å; V203-F205 HydrophobicContact CG1-CE2 3.61Å; V203-F205 HydrophobicContact CG1-CZ 4.21Å; F205-H209 CarbonylContact C-O 3.57Å; F205-H209 WeakPolarHBondContact CA-O 3.35Å; F205-H209 WeakPolarHBondContact CB-O 3.35Å; F205-Y210 HydrophobicContact CE1-CD2 4.12Å; F205-Y210 HydrophobicContact CE1-CG 4.47Å; F205-Y210 AromaticContact CZ-CD2 3.97Å; F205-Y210 HydrophobicContact CZ-CD2 3.97Å
206I93.3Very high92.5Very high12 Ų1248 Ų486%0.06227%0.267CS..EExtended strand (participates in β ladder)trans-131.9134.5170.8-59.3-171.8000107.7R141 I142 F166 V204 G208 H209 L211 L230 I233R141-I206 WeakPolarHBondContact O-CA 3.4Å; I142-I206 HydrophobicContact CG1-CG1 4.35Å; I142-I206 HydrophobicContact CG2-CG1 4.26Å; F166-I206 HydrophobicContact CE1-CD1 4.36Å; V204-I206 HydrophobicContact CG1-CG1 4.26Å; I206-G208 PolarHBondContact O-N 3.5Å; I206-G208 VanDerWaalsContact O-N 3.11Å; I206-H209 PolarHBondContact N-O 2.98Å; I206-H209 WeakPolarHBondContact O-CB 3.44Å; I206-H209 PolarHBondContact O-N 2.97Å; I206-L211 HydrophobicContact CD1-CD2 3.66Å; I206-L211 HydrophobicContact CG1-CD2 4.07Å; I206-L230 HydrophobicContact CD1-CD2 4.15Å; I206-I233 HydrophobicContact CG2-CD1 3.73Å
207D88.8Confident92.9Very high40 Ų4042.2 Ų42.221%0.21423%0.228CC..THydrogen-bonded Turntrans5429.4-176.6-64-17.1000112.9E138 F139 G140 R141 H209E138-D207 WeakPolarHBondContact O-CA 3.47Å; F139-D207 HydrophobicContact CD1-CB 4.17Å; G140-D207 PolarHBondContact N-OD1 3.21Å; R141-D207 PolarHBondContact O-N 3.02Å; R141-D207 VanDerWaalsContact O-N 3.07Å; D207-H209 PolarHBondContact O-CD2 3.03Å; D207-H209 PolarHBondContact O-N 3.24Å
208G87.5Confident93.2Very high23 Ų2340.5 Ų40.524%0.23722%0.222CC..THydrogen-bonded Turntrans77.2-10.4-17300000115.6E138 I206E138-G208 WeakPolarHBondContact OE2-CA 3.5Å; I206-G208 PolarHBondContact O-N 3.5Å; I206-G208 VanDerWaalsContact O-N 3.11Å
209H89.8Confident93.7Very high134 Ų13440.3 Ų40.362%0.6222%0.216SC*.EExtended strand (participates in β ladder)trans-81.4139.7178.1-61.5-73.9000112.1F205 I206 D207 L211F205-H209 CarbonylContact C-O 3.57Å; F205-H209 WeakPolarHBondContact CA-O 3.35Å; F205-H209 WeakPolarHBondContact CB-O 3.35Å; I206-H209 PolarHBondContact N-O 2.98Å; I206-H209 WeakPolarHBondContact O-CB 3.44Å; I206-H209 PolarHBondContact O-N 2.97Å; D207-H209 PolarHBondContact O-CD2 3.03Å; D207-H209 PolarHBondContact O-N 3.24Å; H209-L211 PolarHBondContact O-N 3.39Å
210Y92.5Very high94.2Very high54 Ų5438.9 Ų38.921%0.21221%0.206CC..EExtended strand (participates in β ladder)trans-68.8114.7174.5172.5-100.5000110.3V195 E197 V203 F205V195-Y210 HydrophobicContact CG2-CD1 4.18Å; V195-Y210 HydrophobicContact CG2-CD2 4.36Å; V195-Y210 HydrophobicContact CG2-CG 3.98Å; E197-Y210 HydrophobicContact CB-CE1 4.35Å; E197-Y210 HydrophobicContact CB-CE2 4.44Å; E197-Y210 HydrophobicContact CG-CD1 4.3Å; E197-Y210 HydrophobicContact CG-CE1 3.59Å; E197-Y210 WeakPolarHBondContact OE1-CE1 3.26Å; V203-Y210 HydrophobicContact CG1-CD2 3.86Å; V203-Y210 HydrophobicContact CG1-CE2 3.59Å; F205-Y210 HydrophobicContact CE1-CD2 4.12Å; F205-Y210 HydrophobicContact CE1-CG 4.47Å; F205-Y210 AromaticContact CZ-CD2 3.97Å; F205-Y210 HydrophobicContact CZ-CD2 3.97Å
211L93.7Very high94.5Very high17 Ų1738 Ų389%0.08920%0.195CC..EExtended strand (participates in β ladder)trans-87.7-48.3177.6-173.458.5000110.7V204 I206 H209 K216 I217 M220 L226 L229V204-L211 HydrophobicContact CB-CB 4.39Å; V204-L211 HydrophobicContact CG1-CB 4.32Å; V204-L211 HydrophobicContact CG1-CD2 4.17Å; V204-L211 PolarHBondContact O-N 3.32Å; I206-L211 HydrophobicContact CD1-CD2 3.66Å; I206-L211 HydrophobicContact CG1-CD2 4.07Å; H209-L211 PolarHBondContact O-N 3.39Å; L211-K216 VanDerWaalsContact O-CD 3.26Å; L211-K216 WeakPolarHBondContact O-CD 3.06Å; L211-K216 WeakPolarHBondContact O-CE 3.5Å; L211-K216 PolarHBondContact O-NZ 3.29Å; L211-I217 HydrophobicContact CB-CD1 4.32Å; L211-I217 HydrophobicContact CD2-CD1 3.44Å; L211-I217 VanDerWaalsContact CD2-CD1 3.44Å; L211-I217 HydrophobicContact CG-CD1 3.67Å; L211-M220 HydrophobicContact CD1-CE 3.98Å; L211-M220 HydrophobicContact CD1-SD 3.8Å; L211-M220 HydrophobicContact CG-SD 4.44Å; L211-L226 HydrophobicContact CD2-CD1 4.05Å; L211-L229 HydrophobicContact CD1-CD1 4.03Å
212G94Very high94.5Very high2 Ų243.1 Ų43.12%0.02122%0.218CC..EExtended strand (participates in β ladder)trans144.9-167.8175.200000114.3V204V204-G212 PolarHBondContact N-O 3.18Å; V204-G212 PolarHBondContact O-N 3.2Å
213G94.9Very high94.5Very high18 Ų1846.4 Ų46.419%0.18624%0.241CC..EExtended strand (participates in β ladder)trans-97.8177.6173.600000114.2P202 E215 K216 I217P202-G213 VanDerWaalsContact O-CA 3.23Å; P202-G213 WeakPolarHBondContact O-CA 3.43Å; G213-E215 VanDerWaalsContact C-N 3.33Å; G213-E215 PolarHBondContact O-N 2.93Å; G213-E215 VanDerWaalsContact O-N 3.07Å; G213-K216 PolarHBondContact O-N 3.43Å; G213-I217 PolarHBondContact O-N 3.12Å
214A95.9Very high94.4Very high3 Ų347.6 Ų47.63%0.02525%0.254CS..Hα-helixtrans-48.5-40.2-166.900000116.8R158 V162 P202 I217 L218R158-A214 HydrophobicContact CB-CB 3.89Å; R158-A214 HydrophobicContact CG-CB 4.18Å; V162-A214 HydrophobicContact CG2-CB 3.68Å; P202-A214 HydrophobicContact CG-CB 3.88Å; A214-I217 PolarHBondContact O-N 3.42Å; A214-L218 WeakPolarHBondContact O-CB 3.4Å; A214-L218 PolarHBondContact O-N 2.67Å
215E95.3Very high94.4Very high120 Ų12052.7 Ų52.756%0.56128%0.277SS*.Hα-helixtrans-61.7-44.3178.3-77.9150.5-122.900112.5R158 G213 L218 L219R158-E215 IonicContact CZ-OE1 3.17Å; R158-E215 IonicContact NH1-OE1 3.84Å; R158-E215 PolarHBondContact NH1-OE1 2.54Å; R158-E215 IonicContact NH2-OE1 2.73Å; R158-E215 PolarHBondContact NH2-OE1 3.03Å; G213-E215 VanDerWaalsContact C-N 3.33Å; G213-E215 PolarHBondContact O-N 2.93Å; G213-E215 VanDerWaalsContact O-N 3.07Å; E215-L218 PolarHBondContact O-N 3.46Å; E215-L219 WeakPolarHBondContact O-CG 3.49Å; E215-L219 PolarHBondContact O-N 3.21Å
216K95.6Very high94.4Very high102 Ų10252.4 Ų52.444%0.44328%0.276SS..Hα-helixtrans-69.4-37.3178.5-175.5171.9170.1-162.50111.4L211 G213 L218 L219 M220L211-K216 VanDerWaalsContact O-CD 3.26Å; L211-K216 WeakPolarHBondContact O-CD 3.06Å; L211-K216 WeakPolarHBondContact O-CE 3.5Å; L211-K216 PolarHBondContact O-NZ 3.29Å; G213-K216 PolarHBondContact O-N 3.43Å; K216-L218 VanDerWaalsContact C-N 3.34Å; K216-L219 PolarHBondContact O-N 2.96Å; K216-M220 HydrophobicContact CG-CG 4.43Å; K216-M220 HydrophobicContact CG-SD 4.01Å; K216-M220 WeakPolarHBondContact O-CB 3.43Å; K216-M220 VanDerWaalsContact O-CG 3.26Å; K216-M220 WeakPolarHBondContact O-CG 3.25Å; K216-M220 PolarHBondContact O-N 3.09Å
217I96.9Very high94.4Very high0 Ų056.9 Ų56.90%030%0.297CS..Hα-helixtrans-65.2-38.9175-55.8-60.6000111.4V162 I165 F166 V204 L211 G213 A214 N221 L226V162-I217 HydrophobicContact CG1-CG2 4.43Å; V162-I217 HydrophobicContact CG2-CB 4.27Å; V162-I217 HydrophobicContact CG2-CG2 4.29Å; I165-I217 HydrophobicContact CD1-CG2 4.23Å; I165-I217 HydrophobicContact CG2-CG2 4.22Å; F166-I217 HydrophobicContact CE2-CG2 3.87Å; F166-I217 HydrophobicContact CZ-CG2 4.17Å; V204-I217 HydrophobicContact CB-CD1 3.84Å; V204-I217 HydrophobicContact CB-CG1 4.35Å; V204-I217 HydrophobicContact CG1-CD1 4.22Å; V204-I217 HydrophobicContact CG2-CD1 3.84Å; V204-I217 HydrophobicContact CG2-CG1 3.85Å; L211-I217 HydrophobicContact CB-CD1 4.32Å; L211-I217 HydrophobicContact CD2-CD1 3.44Å; L211-I217 VanDerWaalsContact CD2-CD1 3.44Å; L211-I217 HydrophobicContact CG-CD1 3.67Å; G213-I217 PolarHBondContact O-N 3.12Å; A214-I217 PolarHBondContact O-N 3.42Å; I217-N221 VanDerWaalsContact O-CB 3.27Å; I217-N221 WeakPolarHBondContact O-CB 3.21Å; I217-N221 PolarHBondContact O-N 2.81Å; I217-L226 HydrophobicContact CG2-CD2 4.2Å
218L96.6Very high94.5Very high54 Ų5460.7 Ų60.728%0.28332%0.317SS..Hα-helixtrans-65.3-50175.4-177.863.5000111.1L161 I165 A214 E215 K216 M220 N221 E222L161-L218 HydrophobicContact CD2-CD2 4.48Å; I165-L218 HydrophobicContact CD1-CD1 4.28Å; A214-L218 WeakPolarHBondContact O-CB 3.4Å; A214-L218 PolarHBondContact O-N 2.67Å; E215-L218 PolarHBondContact O-N 3.46Å; K216-L218 VanDerWaalsContact C-N 3.34Å; L218-M220 PolarHBondContact O-N 2.7Å; L218-N221 WeakPolarHBondContact O-CB 3.26Å; L218-N221 PolarHBondContact O-N 2.84Å; L218-N221 VanDerWaalsContact O-N 3.08Å; L218-E222 HydrophobicContact CD1-CG 4.44Å; L218-E222 WeakPolarHBondContact CD1-OE1 3.28Å; L218-E222 WeakPolarHBondContact CG-OE1 3.29Å; L218-E222 WeakPolarHBondContact O-CG 3.44Å; L218-E222 PolarHBondContact O-N 2.67Å
219L97.3Very high94.6Very high113 Ų11363.4 Ų63.459%0.59233%0.326SS*.Hα-helixtrans-56.1-46.8176.9-78.1162.3000112.4E215 K216 N221 E222 S223E215-L219 WeakPolarHBondContact O-CG 3.49Å; E215-L219 PolarHBondContact O-N 3.21Å; K216-L219 PolarHBondContact O-N 2.96Å; L219-N221 VanDerWaalsContact C-N 3.28Å; L219-N221 PolarHBondContact O-N 2.84Å; L219-E222 PolarHBondContact O-N 3.49Å; L219-E222 VanDerWaalsContact O-N 3.17Å; L219-S223 PolarHBondContact O-N 2.88Å; L219-S223 PolarHBondContact O-OG 3.02Å
220M96.4Very high94.7Very high19 Ų1957.1 Ų57.19%0.09430%0.297CS..Hα-helixtrans-70.3-23.7178.5-66179.776.300113.3L211 K216 L218 S223 G224 E225 L226 L229L211-M220 HydrophobicContact CD1-CE 3.98Å; L211-M220 HydrophobicContact CD1-SD 3.8Å; L211-M220 HydrophobicContact CG-SD 4.44Å; K216-M220 HydrophobicContact CG-CG 4.43Å; K216-M220 HydrophobicContact CG-SD 4.01Å; K216-M220 WeakPolarHBondContact O-CB 3.43Å; K216-M220 VanDerWaalsContact O-CG 3.26Å; K216-M220 WeakPolarHBondContact O-CG 3.25Å; K216-M220 PolarHBondContact O-N 3.09Å; L218-M220 PolarHBondContact O-N 2.7Å; M220-S223 WeakPolarHBondContact CA-OG 3.4Å; M220-S223 PolarHBondContact O-OG 3.05Å; M220-G224 CarbonylContact O-C 3.49Å; M220-G224 PolarHBondContact O-N 2.83Å; M220-E225 HydrophobicContact CB-CB 4.36Å; M220-E225 HydrophobicContact CE-CB 3.98Å; M220-E225 PolarHBondContact O-N 3.2Å; M220-L226 HydrophobicContact CB-CB 4.06Å; M220-L226 VanDerWaalsContact O-CB 3.3Å; M220-L226 WeakPolarHBondContact O-CB 3.25Å; M220-L226 PolarHBondContact O-N 3.45Å; M220-L229 HydrophobicContact CE-CD1 3.58Å
221N96.6Very high94.5Very high55 Ų5558.8 Ų58.829%0.29431%0.313SS..Hα-helixtrans-75.9-33.1171178.288.5000111.9I165 H169 I217 L218 L219 L226I165-N221 HydrophobicContact CG2-CB 4.13Å; H169-N221 PolarHBondContact NE2-OD1 2.97Å; I217-N221 VanDerWaalsContact O-CB 3.27Å; I217-N221 WeakPolarHBondContact O-CB 3.21Å; I217-N221 PolarHBondContact O-N 2.81Å; L218-N221 WeakPolarHBondContact O-CB 3.26Å; L218-N221 PolarHBondContact O-N 2.84Å; L218-N221 VanDerWaalsContact O-N 3.08Å; L219-N221 VanDerWaalsContact C-N 3.28Å; L219-N221 PolarHBondContact O-N 2.84Å; N221-L226 HydrophobicContact CB-CD2 3.95Å
222E96.1Very high94Very high133 Ų13366.2 Ų66.262%0.62135%0.345SS*.Hα-helixtrans-79.3-32.9177.7-71171.9177.400112.6L218 L219L218-E222 HydrophobicContact CD1-CG 4.44Å; L218-E222 WeakPolarHBondContact CD1-OE1 3.28Å; L218-E222 WeakPolarHBondContact CG-OE1 3.29Å; L218-E222 WeakPolarHBondContact O-CG 3.44Å; L218-E222 PolarHBondContact O-N 2.67Å; L219-E222 PolarHBondContact O-N 3.49Å; L219-E222 VanDerWaalsContact O-N 3.17Å
223S96.7Very high93.7Very high69 Ų6966.6 Ų66.648%0.48335%0.346SS..Hα-helixtrans-79.8-21.4174.2690000114.1L219 M220 E225L219-S223 PolarHBondContact O-N 2.88Å; L219-S223 PolarHBondContact O-OG 3.02Å; M220-S223 WeakPolarHBondContact CA-OG 3.4Å; M220-S223 PolarHBondContact O-OG 3.05Å; S223-E225 WeakPolarHBondContact CB-OE1 3.48Å; S223-E225 WeakPolarHBondContact OG-CG 3.31Å; S223-E225 PolarHBondContact OG-N 3.18Å; S223-E225 PolarHBondContact OG-OE1 3.28Å
224G94.5Very high93.1Very high26 Ų2671.2 Ų71.227%0.26836%0.363SS..SBendtrans94.9-16.3-176.400000114.7M220 L226 Q227M220-G224 CarbonylContact O-C 3.49Å; M220-G224 PolarHBondContact O-N 2.83Å; G224-L226 PolarHBondContact O-N 2.95Å; G224-Q227 VanDerWaalsContact O-CB 3.3Å; G224-Q227 WeakPolarHBondContact O-CB 3.47Å; G224-Q227 PolarHBondContact O-N 3.46Å
225E95.1Very high92.5Very high106 Ų10677.9 Ų77.950%0.49539%0.387SS..Hα-helixtrans-53.6-30.7-179.5-68.7164.8-103.900113.7M220 S223 Q227 D228 L229M220-E225 HydrophobicContact CB-CB 4.36Å; M220-E225 HydrophobicContact CE-CB 3.98Å; M220-E225 PolarHBondContact O-N 3.2Å; S223-E225 WeakPolarHBondContact CB-OE1 3.48Å; S223-E225 WeakPolarHBondContact OG-CG 3.31Å; S223-E225 PolarHBondContact OG-N 3.18Å; S223-E225 PolarHBondContact OG-OE1 3.28Å; E225-Q227 VanDerWaalsContact C-N 3.3Å; E225-Q227 PolarHBondContact O-N 3Å; E225-D228 PolarHBondContact O-N 3.08Å; E225-L229 PolarHBondContact O-N 3.04Å
226L94.8Very high91.9Very high0 Ų074.2 Ų74.20%037%0.373CS..Hα-helixtrans-63.8-35.7176.1-173.462.2000111.8I165 F166 L211 I217 M220 N221 G224 L230I165-L226 HydrophobicContact CG2-CD2 3.55Å; F166-L226 HydrophobicContact CE1-CD1 3.92Å; F166-L226 HydrophobicContact CE1-CD2 4.32Å; F166-L226 HydrophobicContact CE1-CG 4.46Å; F166-L226 HydrophobicContact CZ-CD1 3.99Å; F166-L226 HydrophobicContact CZ-CD2 4.34Å; L211-L226 HydrophobicContact CD2-CD1 4.05Å; I217-L226 HydrophobicContact CG2-CD2 4.2Å; M220-L226 HydrophobicContact CB-CB 4.06Å; M220-L226 VanDerWaalsContact O-CB 3.3Å; M220-L226 WeakPolarHBondContact O-CB 3.25Å; M220-L226 PolarHBondContact O-N 3.45Å; N221-L226 HydrophobicContact CB-CD2 3.95Å; G224-L226 PolarHBondContact O-N 2.95Å; L226-L230 HydrophobicContact CD1-CD1 4.5Å; L226-L230 HydrophobicContact CD1-CG 4.49Å; L226-L230 HydrophobicContact CG-CD1 4.06Å; L226-L230 HydrophobicContact CG-CG 4.45Å; L226-L230 WeakPolarHBondContact O-CB 3.43Å; L226-L230 WeakPolarHBondContact O-CG 3.36Å; L226-L230 PolarHBondContact O-N 2.88Å; L226-L230 VanDerWaalsContact O-N 3.1Å
227Q92.7Very high90.4Very high106 Ų10676.1 Ų76.150%0.49538%0.383SS..Hα-helixtrans-66.4-39.9179.7-172.9175.61.400111.5G224 E225 L230 T231G224-Q227 VanDerWaalsContact O-CB 3.3Å; G224-Q227 WeakPolarHBondContact O-CB 3.47Å; G224-Q227 PolarHBondContact O-N 3.46Å; E225-Q227 VanDerWaalsContact C-N 3.3Å; E225-Q227 PolarHBondContact O-N 3Å; Q227-L230 PolarHBondContact O-N 2.73Å; Q227-T231 PolarHBondContact O-N 2.96Å; Q227-T231 PolarHBondContact O-OG1 3.07Å
228D90.9Very high88.7Confident121 Ų12182.3 Ų82.365%0.64741%0.412SS*.Hα-helixtrans-63.3-48.4178.8-67.7-36.6000111.1E225 L230 T231E225-D228 PolarHBondContact O-N 3.08Å; D228-L230 VanDerWaalsContact C-N 3.26Å; D228-L230 PolarHBondContact O-N 2.91Å; D228-T231 WeakPolarHBondContact O-CB 3.46Å; D228-T231 PolarHBondContact O-N 3.1Å; D228-T231 VanDerWaalsContact O-N 3.09Å; D228-T231 PolarHBondContact O-OG1 2.95Å
229L91Very high87.1Confident79 Ų7984.2 Ų84.241%0.41443%0.427SS..Hα-helixtrans-57.1-39174.4-70174.4000112.4L211 M220 E225 T231L211-L229 HydrophobicContact CD1-CD1 4.03Å; M220-L229 HydrophobicContact CE-CD1 3.58Å; E225-L229 PolarHBondContact O-N 3.04Å; L229-T231 PolarHBondContact O-N 3.43Å
230L91.4Very high85.6Confident3 Ų386.4 Ų86.42%0.01644%0.435CS..G310 helixtrans-73.9-7.1179.7-72.2-178.3000114.5I142 F166 H169 V171 I206 L226 Q227 D228 K232 I233I142-L230 HydrophobicContact CD1-CD2 3.44Å; I142-L230 VanDerWaalsContact CD1-CD2 3.44Å; I142-L230 HydrophobicContact CG1-CD2 4.15Å; F166-L230 HydrophobicContact CD1-CD1 4.1Å; F166-L230 HydrophobicContact CD1-CD2 4.22Å; F166-L230 HydrophobicContact CE1-CD1 4.14Å; F166-L230 HydrophobicContact CE1-CD2 4.01Å; F166-L230 HydrophobicContact CE1-CG 4.5Å; H169-L230 HydrophobicContact CB-CD1 3.64Å; V171-L230 HydrophobicContact CB-CD2 4.4Å; V171-L230 HydrophobicContact CG1-CB 4.21Å; V171-L230 HydrophobicContact CG1-CD1 4.27Å; V171-L230 HydrophobicContact CG1-CD2 4.19Å; V171-L230 HydrophobicContact CG1-CG 4.46Å; V171-L230 HydrophobicContact CG2-CD1 3.93Å; V171-L230 HydrophobicContact CG2-CD2 3.94Å; I206-L230 HydrophobicContact CD1-CD2 4.15Å; L226-L230 HydrophobicContact CD1-CD1 4.5Å; L226-L230 HydrophobicContact CD1-CG 4.49Å; L226-L230 HydrophobicContact CG-CD1 4.06Å; L226-L230 HydrophobicContact CG-CG 4.45Å; L226-L230 WeakPolarHBondContact O-CB 3.43Å; L226-L230 WeakPolarHBondContact O-CG 3.36Å; L226-L230 PolarHBondContact O-N 2.88Å; L226-L230 VanDerWaalsContact O-N 3.1Å; Q227-L230 PolarHBondContact O-N 2.73Å; D228-L230 VanDerWaalsContact C-N 3.26Å; D228-L230 PolarHBondContact O-N 2.91Å; L230-K232 PolarHBondContact O-N 3.2Å; L230-I233 HydrophobicContact CD2-CD1 3.88Å; L230-I233 PolarHBondContact O-N 3.14Å
231T87.8Confident84.8Confident89 Ų8992.6 Ų92.655%0.54646%0.463SS..G310 helixtrans-61.6-28.1-177.1-59.60000113.5Q227 D228 L229 I233Q227-T231 PolarHBondContact O-N 2.96Å; Q227-T231 PolarHBondContact O-OG1 3.07Å; D228-T231 WeakPolarHBondContact O-CB 3.46Å; D228-T231 PolarHBondContact O-N 3.1Å; D228-T231 VanDerWaalsContact O-N 3.09Å; D228-T231 PolarHBondContact O-OG1 2.95Å; L229-T231 PolarHBondContact O-N 3.43Å; T231-I233 VanDerWaalsContact C-N 3.35Å
232K84.1Confident84.3Confident173 Ų17390.9 Ų90.975%0.75246%0.455SS*.G310 helixtrans-85.4-1.6-178.8-61.4179.9-176.31740114.4L230L230-K232 PolarHBondContact O-N 3.2Å
233I86.7Confident83.9Confident10 Ų1091 Ų915%0.05147%0.468CS..SBendtrans-109143.1-164.1-59.4-176.7000111.1I142 V171 I206 L230 T231 R235I142-I233 HydrophobicContact CD1-CD1 4.09Å; I142-I233 HydrophobicContact CD1-CG2 4.11Å; I142-I233 HydrophobicContact CG1-CD1 3.56Å; I142-I233 HydrophobicContact CG1-CG2 4.2Å; V171-I233 HydrophobicContact CB-CG2 4.26Å; V171-I233 HydrophobicContact CG1-CG2 4.46Å; I206-I233 HydrophobicContact CG2-CD1 3.73Å; L230-I233 HydrophobicContact CD2-CD1 3.88Å; L230-I233 PolarHBondContact O-N 3.14Å; T231-I233 VanDerWaalsContact C-N 3.35Å; I233-R235 PolarHBondContact O-N 3.14Å
234E81.8Confident83.6Confident115 Ų11590.7 Ų90.754%0.53747%0.466SS..  trans-55.4118-178.1-170.1-172147.500111.4K172K172-E234 HydrophobicContact CB-CB 4.34Å; K172-E234 HydrophobicContact CD-CB 4.26Å; K172-E234 VanDerWaalsContact CD-CD 3.41Å; K172-E234 HydrophobicContact CD-CG 4.26Å; K172-E234 WeakPolarHBondContact CD-OE2 3.46Å; K172-E234 WeakPolarHBondContact CE-OE2 3.38Å; K172-E234 PolarHBondContact N-O 3Å; K172-E234 IonicContact NZ-OE1 2.64Å; K172-E234 PolarHBondContact NZ-OE1 2.92Å; K172-E234 IonicContact NZ-OE2 2.71Å; K172-E234 PolarHBondContact NZ-OE2 3.44Å
235R84.9Confident83.3Confident143 Ų14390 Ų9054%0.5446%0.456SS..BIsolated β-bridgetrans-87.1127.5177-70.9-173.1-178.81732.7111.5R170 V171 I233R170-R235 CarbonylContact O-C 3.55Å; R170-R235 VanDerWaalsContact O-CA 3.27Å; R170-R235 WeakPolarHBondContact O-CA 3.34Å; V171-R235 HydrophobicContact CG1-CG 4.38Å; I233-R235 PolarHBondContact O-N 3.14Å
236V81.1Confident82.9Confident43 Ų4386.5 Ų86.526%0.26145%0.448SS..  trans-89.9105.7-179.2179.80000108.9R170 K172 H238R170-V236 PolarHBondContact O-N 3.09Å; K172-V236 HydrophobicContact CB-CG2 3.85Å; K172-V236 HydrophobicContact CG-CG2 4.43Å; V236-H238 VanDerWaalsContact C-N 3.29Å; V236-H238 WeakPolarHBondContact CG1-O 3.42Å; V236-H238 PolarHBondContact O-N 3.5Å
237Q64.2Low82.3Confident142 Ų14288.2 Ų88.266%0.66447%0.466SS*.SBendtrans-57.9-42-178.2-63.9-68.5600112.4R170R170-Q237 PolarHBondContact NH1-O 3.19Å
238H61.5Low81.9Confident129 Ų12989.2 Ų89.260%0.59747%0.469SS*.SBendtrans-129.6117.2-179.1-60.5108.2000110.2V236 H240V236-H238 VanDerWaalsContact C-N 3.29Å; V236-H238 WeakPolarHBondContact CG1-O 3.42Å; V236-H238 PolarHBondContact O-N 3.5Å; H238-H240 VanDerWaalsContact C-N 3.31Å; H238-H240 WeakPolarHBondContact CB-NE2 3.24Å; H238-H240 PolarHBondContact O-CD2 3.41Å; H238-H240 PolarHBondContact O-N 2.91Å
239P63.5Low81.7Confident94 Ų9484.5 Ų84.561%0.6145%0.45SS*.  trans-67.482.6177.9-22.735.2000112.8E241P239-E241 PolarHBondContact O-N 2.94Å
240H65Low81.7Confident160 Ų16081.8 Ų81.874%0.74143%0.434SS*.  trans-85.8109.9175.4-72.3-70.7000111.1H238H238-H240 VanDerWaalsContact C-N 3.31Å; H238-H240 WeakPolarHBondContact CB-NE2 3.24Å; H238-H240 PolarHBondContact O-CD2 3.41Å; H238-H240 PolarHBondContact O-N 2.91Å
241E80.7Confident81.8Confident149 Ų14984.2 Ų84.270%0.69645%0.447SS*.  trans-58.8138.8161.4-65.1-176.4175.800109.7P239 P243P239-E241 PolarHBondContact O-N 2.94Å; E241-P243 WeakPolarHBondContact O-CD 3.42Å
242C85.9Confident82.1Confident19 Ų1984.2 Ų84.213%0.12845%0.449CS..  trans-59.7121.9179.1175.90000110.7S244 C245 G246 S290 C291C242-S244 PolarHBondContact O-N 3.24Å; C242-C245 PolarHBondContact O-N 3.07Å; C242-C245 VanDerWaalsContact O-N 3.09Å; C242-G246 PolarHBondContact O-N 2.83Å; C242-S290 VanDerWaalsContact SG-CB 3.59Å; C242-C291 VanDerWaalsContact CB-SG 3.51Å; C242-C291 PolarHBondContact SG-SG 3.33Å
243P87.6Confident82.5Confident135 Ų13576 Ų7688%0.87741%0.413SS*.THydrogen-bonded Turntrans-65.3-17.3-174.426.7-35.8000113.2E241E241-P243 WeakPolarHBondContact O-CD 3.42Å
244S89.6Confident82.7Confident63 Ų6379.1 Ų79.144%0.44144%0.435SS..THydrogen-bonded Turntrans-82.9-36.7175.5-48.60000113.1C242 L251 S290C242-S244 PolarHBondContact O-N 3.24Å; S244-L251 VanDerWaalsContact O-CD2 3.25Å; S244-L251 WeakPolarHBondContact O-CD2 3.35Å; S244-S290 PolarHBondContact OG-OG 3.14Å
245C89.8Confident83.1Confident11 Ų1177.4 Ų77.47%0.07443%0.433CS..THydrogen-bonded Turntrans-132.37.8-167.779.80000116C242 G247 F248 G249 L251 C288C242-C245 PolarHBondContact O-N 3.07Å; C242-C245 VanDerWaalsContact O-N 3.09Å; C245-G247 PolarHBondContact O-N 3.22Å; C245-F248 WeakPolarHBondContact O-CB 3.47Å; C245-F248 VanDerWaalsContact O-CD2 3.31Å; C245-F248 WeakPolarHBondContact O-CD2 3.28Å; C245-F248 PolarHBondContact O-N 3.36Å; C245-G249 PolarHBondContact SG-N 3.36Å; C245-G249 VanDerWaalsContact SG-N 3.4Å; C245-L251 HydrophobicContact CB-CD2 3.5Å; C245-L251 VanDerWaalsContact CB-CD2 3.5Å; C245-L251 HydrophobicContact CB-CG 4.13Å; C245-C288 HydrophobicContact CB-CB 3.93Å
246G85.9Confident83.3Confident32 Ų3270.7 Ų70.733%0.3341%0.408SS..THydrogen-bonded Turntrans56.335.2178.900000113.8C242 F248C242-G246 PolarHBondContact O-N 2.83Å; G246-F248 PolarHBondContact O-N 3.35Å
247G82.6Confident83.8Confident36 Ų3675.9 Ų75.937%0.37143%0.429SS..THydrogen-bonded Turntrans74.4-5.3-176.200000116.6C245 G249C245-G247 PolarHBondContact O-N 3.22Å; G247-G249 PolarHBondContact O-N 2.95Å; G247-G249 VanDerWaalsContact O-N 3.15Å
248F82.9Confident85Confident127 Ų12770.4 Ų70.456%0.55741%0.41SS*.  trans-71.5-5.3-177.2-67.9-68.2000115.7L180 C245 G246 F250L180-F248 WeakPolarHBondContact CD1-O 3.3Å; C245-F248 WeakPolarHBondContact O-CB 3.47Å; C245-F248 VanDerWaalsContact O-CD2 3.31Å; C245-F248 WeakPolarHBondContact O-CD2 3.28Å; C245-F248 PolarHBondContact O-N 3.36Å; G246-F248 PolarHBondContact O-N 3.35Å; F248-F250 PolarHBondContact O-N 3.29Å
249G88Confident86.2Confident23 Ų2367.6 Ų67.624%0.23741%0.405CS..SBendtrans66.9-12.3-179.700000116.2C245 G247 C288C245-G249 PolarHBondContact SG-N 3.36Å; C245-G249 VanDerWaalsContact SG-N 3.4Å; G247-G249 PolarHBondContact O-N 2.95Å; G247-G249 VanDerWaalsContact O-N 3.15Å; G249-C288 WeakPolarHBondContact O-CB 3.49Å; G249-C288 PolarHBondContact O-N 2.92Å
250F90.9Very high87.4Confident22 Ų2267.3 Ų67.310%0.09639%0.394CS..EExtended strand (participates in β ladder)trans-130.7155.9-177.5-69.5-93.2000112.1L180 N181 Y184 F248 L285 Q286 R287L180-F250 HydrophobicContact CB-CD2 3.94Å; L180-F250 HydrophobicContact CB-CE2 4.18Å; L180-F250 HydrophobicContact CB-CG 4.42Å; L180-F250 HydrophobicContact CD1-CB 4.48Å; L180-F250 HydrophobicContact CD1-CD2 3.86Å; N181-F250 HydrophobicContact CB-CE1 4.38Å; N181-F250 HydrophobicContact CB-CE2 4.49Å; N181-F250 HydrophobicContact CB-CZ 3.84Å; Y184-F250 AromaticContact CE2-CE2 3.87Å; Y184-F250 HydrophobicContact CE2-CE2 3.87Å; Y184-F250 AromaticContact CE2-CZ 3.91Å; Y184-F250 HydrophobicContact CE2-CZ 3.91Å; F248-F250 PolarHBondContact O-N 3.29Å; F250-L285 HydrophobicContact CB-CB 4.28Å; F250-L285 HydrophobicContact CB-CD1 4.18Å; F250-L285 HydrophobicContact CD1-CB 4.1Å; F250-Q286 CarbonylContact C-O 3.56Å; F250-Q286 VanDerWaalsContact CA-O 3.26Å; F250-Q286 WeakPolarHBondContact CA-O 3.4Å; F250-R287 HydrophobicContact CD1-CG 4.28Å; F250-R287 HydrophobicContact CE1-CG 3.76Å; F250-R287 HydrophobicContact CZ-CG 4.21Å
251L92.9Very high88.3Confident53 Ų5363.2 Ų63.228%0.27738%0.376SS..EExtended strand (participates in β ladder)trans-131.2151.6177.9-64.3175.1000110.4S244 C245 C253 L285 Q286 C288S244-L251 VanDerWaalsContact O-CD2 3.25Å; S244-L251 WeakPolarHBondContact O-CD2 3.35Å; C245-L251 HydrophobicContact CB-CD2 3.5Å; C245-L251 VanDerWaalsContact CB-CD2 3.5Å; C245-L251 HydrophobicContact CB-CG 4.13Å; L251-C253 PolarHBondContact O-N 3.24Å; L251-L285 CarbonylContact O-C 3.48Å; L251-L285 VanDerWaalsContact O-CA 3.29Å; L251-L285 WeakPolarHBondContact O-CA 3.13Å; L251-Q286 PolarHBondContact N-O 3.02Å; L251-Q286 PolarHBondContact O-N 2.8Å; L251-C288 HydrophobicContact CD1-CB 4.4Å; L251-C288 HydrophobicContact CG-CB 4.31Å
252P93.6Very high88Confident90 Ų9057.2 Ų57.258%0.58435%0.351SS*.EExtended strand (participates in β ladder)trans-55.4137.3165.9-2334.2000111.1S254P252-S254 PolarHBondContact O-N 3.47Å
253C93.1Very high87Confident1 Ų161.3 Ų61.31%0.00738%0.375CS..  trans-60.3128.8-176.4176.40000112.6L251 V255 C256 H257 C280 G284 Q286L251-C253 PolarHBondContact O-N 3.24Å; C253-V255 PolarHBondContact O-N 2.82Å; C253-V255 PolarHBondContact SG-N 2.87Å; C253-V255 VanDerWaalsContact SG-N 3.36Å; C253-C256 VanDerWaalsContact CB-SG 3.5Å; C253-C256 VanDerWaalsContact SG-SG 3.67Å; C253-H257 WeakPolarHBondContact O-CA 3.19Å; C253-H257 PolarHBondContact O-N 3.17Å; C253-C280 HydrophobicContact CB-CB 3.56Å; C253-G284 WeakPolarHBondContact CB-O 3.08Å; C253-G284 PolarHBondContact N-O 2.81Å; C253-Q286 HydrophobicContact CB-CG 4.16Å
254S91.2Very high85.7Confident74 Ų7462.6 Ų62.652%0.51737%0.367SS..THydrogen-bonded Turntrans-64.2-20.5177.755.40000114.8P252 H257 Q286P252-S254 PolarHBondContact O-N 3.47Å; S254-H257 PolarHBondContact O-CE1 3.15Å; S254-Q286 PolarHBondContact OG-OE1 2.61Å
255V89.4Confident84Confident80 Ų8068.8 Ų68.849%0.48538%0.381SS..THydrogen-bonded Turntrans-97.5-28.7-174.5-177.80000113.2C253 A279C253-V255 PolarHBondContact O-N 2.82Å; C253-V255 PolarHBondContact SG-N 2.87Å; C253-V255 VanDerWaalsContact SG-N 3.36Å; V255-A279 HydrophobicContact CB-CB 4.11Å; V255-A279 HydrophobicContact CG2-CB 3.83Å
256C90.6Very high82.5Confident2 Ų271 Ų711%0.01439%0.392CS..THydrogen-bonded Turntrans-123.2-0.5-179.872.20000114.3C253 G258 S259 M261 C277 C280C253-C256 VanDerWaalsContact CB-SG 3.5Å; C253-C256 VanDerWaalsContact SG-SG 3.67Å; C256-G258 PolarHBondContact O-N 3.03Å; C256-G258 VanDerWaalsContact O-N 3.15Å; C256-S259 VanDerWaalsContact O-CB 3.24Å; C256-S259 WeakPolarHBondContact O-CB 3.13Å; C256-S259 PolarHBondContact O-N 3.46Å; C256-S259 PolarHBondContact O-OG 3.07Å; C256-M261 WeakPolarHBondContact CB-O 3.45Å; C256-C277 HydrophobicContact CB-CB 3.79Å; C256-C280 VanDerWaalsContact SG-SG 3.67Å
257H89.9Confident81.2Confident152 Ų15275.1 Ų75.170%0.70441%0.414SS*.THydrogen-bonded Turntrans51.835.1-178-48.2-60.6000113.6C253 S254 S259C253-H257 WeakPolarHBondContact O-CA 3.19Å; C253-H257 PolarHBondContact O-N 3.17Å; S254-H257 PolarHBondContact O-CE1 3.15Å; H257-S259 VanDerWaalsContact C-N 3.31Å; H257-S259 PolarHBondContact O-N 2.88Å
258G90.4Very high80Confident26 Ų2682.6 Ų82.627%0.26844%0.437SS..THydrogen-bonded Turntrans83-7.5-176.800000115.6C256 K260C256-G258 PolarHBondContact O-N 3.03Å; C256-G258 VanDerWaalsContact O-N 3.15Å; G258-K260 WeakPolarHBondContact O-CG 3.28Å; G258-K260 PolarHBondContact O-N 2.75Å; G258-K260 VanDerWaalsContact O-N 3.07Å
259S87.6Confident78.8Confident70 Ų7079.4 Ų79.449%0.4943%0.428SS..SBendtrans-67.8-6.5-179.169.50000115.1C256 H257 M261C256-S259 VanDerWaalsContact O-CB 3.24Å; C256-S259 WeakPolarHBondContact O-CB 3.13Å; C256-S259 PolarHBondContact O-N 3.46Å; C256-S259 PolarHBondContact O-OG 3.07Å; H257-S259 VanDerWaalsContact C-N 3.31Å; H257-S259 PolarHBondContact O-N 2.88Å; S259-M261 PolarHBondContact O-N 3.38Å; S259-M261 PolarHBondContact OG-O 3.05Å
260K88.4Confident77.3Confident88 Ų8887 Ų8738%0.38346%0.463SS..SBendtrans65.7-2.9-179.7-45.4179178.4-1550115G258 C277 E282G258-K260 WeakPolarHBondContact O-CG 3.28Å; G258-K260 PolarHBondContact O-N 2.75Å; G258-K260 VanDerWaalsContact O-N 3.07Å; K260-C277 PolarHBondContact O-N 3.27Å; K260-E282 WeakPolarHBondContact CD-O 3.49Å; K260-E282 WeakPolarHBondContact CE-O 3.24Å; K260-E282 PolarHBondContact NZ-O 2.8Å
261M84.1Confident75.8Confident75 Ų7588.7 Ų88.737%0.36948%0.478SS..BIsolated β-bridgetrans-117.9145.4-178-59.9-57.7148.900112C256 S259 A274 L275 K276C256-M261 WeakPolarHBondContact CB-O 3.45Å; S259-M261 PolarHBondContact O-N 3.38Å; S259-M261 PolarHBondContact OG-O 3.05Å; M261-A274 HydrophobicContact CB-CB 4.31Å; M261-L275 CarbonylContact C-O 3.55Å; M261-L275 VanDerWaalsContact CA-O 3.28Å; M261-L275 WeakPolarHBondContact CA-O 3.21Å; M261-K276 HydrophobicContact CE-CG 4.34Å; M261-K276 HydrophobicContact SD-CG 4.36Å
262S72.9Confident74.2Confident23 Ų2392.5 Ų92.516%0.16149%0.493CS..  trans-77.3127.617162.10000110.3F264 L275S262-F264 PolarHBondContact O-N 3.11Å; S262-L275 PolarHBondContact N-O 3.42Å; S262-L275 PolarHBondContact OG-O 3.28Å
263V66.2Low72.7Confident105 Ų10594.3 Ų94.364%0.63649%0.491SS*.  trans-72.7-4.4172.8-165.20000112R265V263-R265 PolarHBondContact O-N 2.95Å
264F59Low71.4Confident161 Ų16196.6 Ų96.671%0.70651%0.51SS*.  trans-64.7119.5-177.8-141.8-88.1000111.7S262 N266S262-F264 PolarHBondContact O-N 3.11Å; F264-N266 PolarHBondContact O-N 3.41Å
265R55.1Low70.7Confident193 Ų19397.4 Ų97.473%0.72851%0.508SS*.  trans-69.9122.4170.1-82.6178.9164.9158.7-5.1109.4V263 C267 F272V263-R265 PolarHBondContact O-N 2.95Å; R265-C267 PolarHBondContact O-N 2.64Å; R265-C267 VanDerWaalsContact O-N 3.07Å; R265-F272 HydrophobicContact CG-CD2 4.03Å; R265-F272 HydrophobicContact CG-CE2 3.58Å; R265-F272 HydrophobicContact CG-CZ 4.43Å
266N56.8Low70.5Confident59 Ų59101.9 Ų101.932%0.31652%0.521SS..  trans-69.2101.6166.4-73.2-53.9000109F264 F268 T269 K273F264-N266 PolarHBondContact O-N 3.41Å; N266-F268 PolarHBondContact O-N 3.44Å; N266-T269 PolarHBondContact O-N 2.92Å; N266-T269 VanDerWaalsContact O-N 3.11Å; N266-K273 PolarHBondContact ND2-O 3.22Å
267C58.7Low70.4Confident118 Ų118102.3 Ų102.380%0.79752%0.524SS*.THydrogen-bonded Turntrans-61.9-4-18052.30000115R265R265-C267 PolarHBondContact O-N 2.64Å; R265-C267 VanDerWaalsContact O-N 3.07Å
268F57.5Low70.3Confident193 Ų193102.1 Ų102.185%0.84653%0.533SS*.THydrogen-bonded Turntrans-90.4-8.1175.6-70.6-89.8000114.4N266N266-F268 PolarHBondContact O-N 3.44Å
269T57.5Low70.3Confident60 Ų60102.8 Ų102.837%0.36854%0.537SS..  trans-144.2130.5-178.656.90000113N266 S271N266-T269 PolarHBondContact O-N 2.92Å; N266-T269 VanDerWaalsContact O-N 3.11Å; T269-S271 PolarHBondContact O-N 3.32Å; T269-S271 PolarHBondContact OG1-O 3.25Å
270D57Low70.5Confident181 Ų181100.7 Ų100.797%0.96852%0.522SS*.SBendtrans-70.111.4175.3-159.135.5000114.3
271S60.6Low70.7Confident59 Ų5998.2 Ų98.241%0.41351%0.513SS..SBendtrans-114.2132.817554.80000110.2T269 K273T269-S271 PolarHBondContact O-N 3.32Å; T269-S271 PolarHBondContact OG1-O 3.25Å; S271-K273 VanDerWaalsContact C-N 3.25Å; S271-K273 PolarHBondContact O-N 3.38Å; S271-K273 WeakPolarHBondContact OG-CE 3.16Å
272F59.4Low71Confident133 Ų13399.8 Ų99.858%0.58352%0.519SS*.  trans-75.473-175-157-82.4000111.8R265 A274R265-F272 HydrophobicContact CG-CD2 4.03Å; R265-F272 HydrophobicContact CG-CE2 3.58Å; R265-F272 HydrophobicContact CG-CZ 4.43Å; F272-A274 HydrophobicContact CE1-CB 4.42Å; F272-A274 PolarHBondContact O-N 3.46Å; F272-A274 VanDerWaalsContact O-N 3.11Å
273K61.3Low71.8Confident128 Ų128101.6 Ų101.656%0.55753%0.527SS*.  trans-81.185.4176.2-67.1-177.6-177.8177.30110.3N266 S271 L275N266-K273 PolarHBondContact ND2-O 3.22Å; S271-K273 VanDerWaalsContact C-N 3.25Å; S271-K273 PolarHBondContact O-N 3.38Å; S271-K273 WeakPolarHBondContact OG-CE 3.16Å; K273-L275 PolarHBondContact O-N 2.8Å
274A65.4Low73.1Confident48 Ų4896.6 Ų96.640%0.39750%0.497SS..  trans-61.9112.2169.800000109.8M261 F272M261-A274 HydrophobicContact CB-CB 4.31Å; F272-A274 HydrophobicContact CE1-CB 4.42Å; F272-A274 PolarHBondContact O-N 3.46Å; F272-A274 VanDerWaalsContact O-N 3.11Å
275L77.2Confident74.7Confident92 Ų9290.5 Ų90.548%0.48247%0.471SS..PPolyproline II helixtrans-83.1160.5177.1-61.5177000110.5M261 S262 K273 C277M261-L275 CarbonylContact C-O 3.55Å; M261-L275 VanDerWaalsContact CA-O 3.28Å; M261-L275 WeakPolarHBondContact CA-O 3.21Å; S262-L275 PolarHBondContact N-O 3.42Å; S262-L275 PolarHBondContact OG-O 3.28Å; K273-L275 PolarHBondContact O-N 2.8Å; L275-C277 PolarHBondContact O-N 3.11Å
276K85.4Confident76.5Confident173 Ų17383.5 Ų83.575%0.75245%0.447SS*.BIsolated β-bridgetrans-60.9135.9169.6-69.5-173.9178.6-176.90109.6M261 T278M261-K276 HydrophobicContact CE-CG 4.34Å; M261-K276 HydrophobicContact SD-CG 4.36Å; K276-T278 PolarHBondContact O-N 2.96Å
277C87.3Confident78.1Confident12 Ų1288.1 Ų88.18%0.08146%0.46CS..PPolyproline II helixtrans-67.3120.7175.8-1750000109.9C256 K260 L275 A279C256-C277 HydrophobicContact CB-CB 3.79Å; K260-C277 PolarHBondContact O-N 3.27Å; L275-C277 PolarHBondContact O-N 3.11Å; C277-A279 VanDerWaalsContact C-N 3.31Å
278T88.9Confident79.6Confident147 Ų14782.6 Ų82.690%0.90242%0.422SS*.THydrogen-bonded Turntrans-79.6-12179.349.80000113.6K276K276-T278 PolarHBondContact O-N 2.96Å
279A89.9Confident81.1Confident41 Ų4184.2 Ų84.234%0.33942%0.423SS..THydrogen-bonded Turntrans-883-175.100000114.1V255 C277 Q286V255-A279 HydrophobicContact CB-CB 4.11Å; V255-A279 HydrophobicContact CG2-CB 3.83Å; C277-A279 VanDerWaalsContact C-N 3.31Å; A279-Q286 WeakPolarHBondContact O-CG 3.32Å; A279-Q286 PolarHBondContact O-NE2 3.26Å
280C92.4Very high82.5Confident26 Ų2684.9 Ų84.918%0.17643%0.43CS..SBendtrans-148.6165.3-17560.70000112.7C253 C256 L285 Q286C253-C280 HydrophobicContact CB-CB 3.56Å; C256-C280 VanDerWaalsContact SG-SG 3.67Å; C280-L285 WeakPolarHBondContact CA-O 3.35Å; C280-L285 VanDerWaalsContact CB-O 3.25Å; C280-L285 WeakPolarHBondContact CB-O 3.5Å; C280-Q286 HydrophobicContact CB-CG 4.19Å
281N91.3Very high83.6Confident36 Ų3679.2 Ų79.219%0.19340%0.404CS..  trans-73.6178.617378.9-2.8000112.4L180 N283 G284 L285L180-N281 PolarHBondContact O-ND2 2.85Å; N281-N283 PolarHBondContact O-N 2.93Å; N281-N283 WeakPolarHBondContact OD1-CA 3.47Å; N281-N283 WeakPolarHBondContact OD1-CB 3.31Å; N281-N283 PolarHBondContact OD1-N 3.4Å; N281-G284 PolarHBondContact O-N 3.4Å; N281-G284 PolarHBondContact OD1-N 2.83Å; N281-L285 PolarHBondContact N-O 2.81Å; N281-L285 WeakPolarHBondContact OD1-CB 3.46Å; N281-L285 PolarHBondContact OD1-N 3.16Å; N281-L285 VanDerWaalsContact OD1-N 3.08Å; N281-L285 PolarHBondContact OD1-O 2.87Å
282E90.1Very high83.7Confident108 Ų10880.2 Ų80.251%0.50542%0.416SS..THydrogen-bonded Turntrans-59.2-15.7179.673.2-158.4143.500115S182 K260S182-E282 WeakPolarHBondContact CB-OE1 3.4Å; S182-E282 PolarHBondContact N-OE1 3.25Å; S182-E282 PolarHBondContact OG-OE1 3.39Å; K260-E282 WeakPolarHBondContact CD-O 3.49Å; K260-E282 WeakPolarHBondContact CE-O 3.24Å; K260-E282 PolarHBondContact NZ-O 2.8Å
283N91.1Very high83.1Confident60 Ų6080.6 Ų80.632%0.32146%0.457SS..THydrogen-bonded Turntrans-92.2-1.7175.5-74.1-35.3000113.3A179 L180 N281 L285A179-N283 PolarHBondContact O-ND2 2.92Å; A179-N283 VanDerWaalsContact O-ND2 3.1Å; L180-N283 PolarHBondContact O-ND2 2.65Å; N281-N283 PolarHBondContact O-N 2.93Å; N281-N283 WeakPolarHBondContact OD1-CA 3.47Å; N281-N283 WeakPolarHBondContact OD1-CB 3.31Å; N281-N283 PolarHBondContact OD1-N 3.4Å; N283-L285 VanDerWaalsContact C-N 3.31Å; N283-L285 HydrophobicContact CB-CD1 3.98Å; N283-L285 HydrophobicContact CB-CG 3.98Å
284G92.3Very high84.2Confident0 Ų078.2 Ų78.20%045%0.452CS..SBendtrans77.720.4-174.300000112.5C253 N281C253-G284 WeakPolarHBondContact CB-O 3.08Å; C253-G284 PolarHBondContact N-O 2.81Å; N281-G284 PolarHBondContact O-N 3.4Å; N281-G284 PolarHBondContact OD1-N 2.83Å
285L93.4Very high85.1Confident33 Ų3379.8 Ų79.817%0.17346%0.455CS..EExtended strand (participates in β ladder)trans-107.5152.2-175.2-57.2177000112.5L180 F250 L251 C280 N281 N283L180-L285 HydrophobicContact CB-CD1 4.12Å; L180-L285 HydrophobicContact CD2-CD1 3.94Å; F250-L285 HydrophobicContact CB-CB 4.28Å; F250-L285 HydrophobicContact CB-CD1 4.18Å; F250-L285 HydrophobicContact CD1-CB 4.1Å; L251-L285 CarbonylContact O-C 3.48Å; L251-L285 VanDerWaalsContact O-CA 3.29Å; L251-L285 WeakPolarHBondContact O-CA 3.13Å; C280-L285 WeakPolarHBondContact CA-O 3.35Å; C280-L285 VanDerWaalsContact CB-O 3.25Å; C280-L285 WeakPolarHBondContact CB-O 3.5Å; N281-L285 PolarHBondContact N-O 2.81Å; N281-L285 WeakPolarHBondContact OD1-CB 3.46Å; N281-L285 PolarHBondContact OD1-N 3.16Å; N281-L285 VanDerWaalsContact OD1-N 3.08Å; N281-L285 PolarHBondContact OD1-O 2.87Å; N283-L285 VanDerWaalsContact C-N 3.31Å; N283-L285 HydrophobicContact CB-CD1 3.98Å; N283-L285 HydrophobicContact CB-CG 3.98Å
286Q92.5Very high85.6Confident46 Ų4679.1 Ų79.122%0.21545%0.453CS..EExtended strand (participates in β ladder)trans-118.8148.4171.4-74.1173.6-32.800109F250 L251 C253 S254 A279 C280F250-Q286 CarbonylContact C-O 3.56Å; F250-Q286 VanDerWaalsContact CA-O 3.26Å; F250-Q286 WeakPolarHBondContact CA-O 3.4Å; L251-Q286 PolarHBondContact N-O 3.02Å; L251-Q286 PolarHBondContact O-N 2.8Å; C253-Q286 HydrophobicContact CB-CG 4.16Å; S254-Q286 PolarHBondContact OG-OE1 2.61Å; A279-Q286 WeakPolarHBondContact O-CG 3.32Å; A279-Q286 PolarHBondContact O-NE2 3.26Å; C280-Q286 HydrophobicContact CB-CG 4.19Å
287R90.7Very high85.6Confident156 Ų15673.6 Ų73.659%0.58944%0.436SS*.EExtended strand (participates in β ladder)trans-63.9140.2170.9-77.8-177.8168.3171.1-6.8110.1Y184 F250 R289Y184-R287 PolarHBondContact OH-NH2 3.42Å; F250-R287 HydrophobicContact CD1-CG 4.28Å; F250-R287 HydrophobicContact CE1-CG 3.76Å; F250-R287 HydrophobicContact CZ-CG 4.21Å; R287-R289 PolarHBondContact O-N 3.1Å
288C90.9Very high85.5Confident2 Ų277.4 Ų77.41%0.01446%0.458CS..  trans-67.2120.5174.2-175.50000109.6C245 G249 L251 S290 C291C245-C288 HydrophobicContact CB-CB 3.93Å; G249-C288 WeakPolarHBondContact O-CB 3.49Å; G249-C288 PolarHBondContact O-N 2.92Å; L251-C288 HydrophobicContact CD1-CB 4.4Å; L251-C288 HydrophobicContact CG-CB 4.31Å; C288-S290 VanDerWaalsContact C-N 3.25Å; C288-S290 PolarHBondContact O-N 2.98Å; C288-C291 HydrophobicContact CB-CB 4.03Å; C288-C291 PolarHBondContact O-N 3.28Å; C288-C291 VanDerWaalsContact O-N 3.09Å
289R88.4Confident85.3Confident227 Ų22772.8 Ų72.886%0.85743%0.428SS*.G310 helixtrans-60.6-38.9179-63.6-179.4-178.1176.5-0.9111.4R287 C291 A292R287-R289 PolarHBondContact O-N 3.1Å; R289-C291 PolarHBondContact O-N 3.48Å; R289-C291 VanDerWaalsContact O-N 3.14Å; R289-A292 PolarHBondContact O-N 3.4Å
290S85.9Confident84.9Confident75 Ų7575.1 Ų75.152%0.52444%0.435SS..G310 helixtrans-72.14.8177.3-33.80000114.5C242 S244 C288C242-S290 VanDerWaalsContact SG-CB 3.59Å; S244-S290 PolarHBondContact OG-OG 3.14Å; C288-S290 VanDerWaalsContact C-N 3.25Å; C288-S290 PolarHBondContact O-N 2.98Å
291C80.3Confident84.4Confident62 Ų6278.8 Ų78.842%0.41946%0.455SS..G310 helixtrans-126.29.9173.5-58.60000112.4C242 C288 R289C242-C291 VanDerWaalsContact CB-SG 3.51Å; C242-C291 PolarHBondContact SG-SG 3.33Å; C288-C291 HydrophobicContact CB-CB 4.03Å; C288-C291 PolarHBondContact O-N 3.28Å; C288-C291 VanDerWaalsContact O-N 3.09Å; R289-C291 PolarHBondContact O-N 3.48Å; R289-C291 VanDerWaalsContact O-N 3.14Å
292A63Low83.8Confident80 Ų8082.4 Ų82.466%0.66148%0.477SS*.  trans-118.618.9-175.300000112.6R289R289-A292 PolarHBondContact O-N 3.4Å
293G46.6Very low83.2Confident140 Ų14080.1 Ų80.1100%1.44347%0.474SS*.  trans-135.70169.700000109.6

Retrieved 293 of 293 residues in 134.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).