A0A087YGB6_POEFO Loading...

Plexin domain containing 1

AlphaFold DB , UniProt , Accession A0A087YGB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 482 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.4Low51.9Low237 Ų237110.5 Ų110.5100%1.16764%0.643SS**  027.50-65.9-65.7-84.800113.3
2G53Low51.5Low55 Ų55106.4 Ų106.457%0.56763%0.625SS**  trans-103.9-9.6-173.500000116.5
3L49.4Very low51.4Low148 Ų148109.7 Ų109.778%0.77563%0.63SS**Hα-helixtrans-90.9-27.4-175.9-90.4140.6000113.9
4C47.3Very low51.2Low96 Ų96105.7 Ų105.765%0.64962%0.617SS**Hα-helixtrans-74.6-28.1175.9-74.10000113.4L8C4-L8 PolarHBondContact O-N 3.15Å
5A53.4Low50.9Low54 Ų54108.5 Ų108.545%0.44662%0.622SS.*Hα-helixtrans-70.9-34.9179.600000112.2I9A5-I9 WeakPolarHBondContact O-CD1 3.46Å; A5-I9 VanDerWaalsContact O-CG1 3.31Å; A5-I9 WeakPolarHBondContact O-CG1 3.34Å; A5-I9 PolarHBondContact O-N 3.26Å
6V58Low50.5Low91 Ų91108.9 Ų108.955%0.55262%0.621SS**Hα-helixtrans-73.4-36.8178.6-178.20000111.2L8 I9 C10V6-L8 PolarHBondContact O-N 2.84Å; V6-I9 PolarHBondContact O-N 3.48Å; V6-C10 PolarHBondContact O-N 3.12Å; V6-C10 PolarHBondContact O-SG 2.87Å; V6-C10 VanDerWaalsContact O-SG 3.39Å
7L52.6Low50.2Low110 Ų110105.4 Ų105.458%0.57661%0.614SS**Hα-helixtrans-66.4-35.4176.8-100.6150.4000113.2L11L7-L11 WeakPolarHBondContact O-CD1 3.24Å; L7-L11 WeakPolarHBondContact O-CG 3.4Å; L7-L11 PolarHBondContact O-N 2.84Å; L7-L11 VanDerWaalsContact O-N 3.16Å
8L49.6Very low49.9Very low124 Ų124110.2 Ų110.265%0.64962%0.62SS**Hα-helixtrans-72.6-30.8176.7-76.2166.3000112.9C4 V6 S12C4-L8 PolarHBondContact O-N 3.15Å; V6-L8 PolarHBondContact O-N 2.84Å; L8-S12 PolarHBondContact O-N 2.83Å; L8-S12 PolarHBondContact O-OG 2.91Å
9I55.3Low49.6Very low107 Ų107109.2 Ų109.255%0.54962%0.617SS.*Hα-helixtrans-75.8-34.9176-64.5166.7000111A5 V6 S12 Q13A5-I9 WeakPolarHBondContact O-CD1 3.46Å; A5-I9 VanDerWaalsContact O-CG1 3.31Å; A5-I9 WeakPolarHBondContact O-CG1 3.34Å; A5-I9 PolarHBondContact O-N 3.26Å; V6-I9 PolarHBondContact O-N 3.48Å; I9-S12 PolarHBondContact O-OG 3.46Å; I9-S12 VanDerWaalsContact O-OG 3.07Å; I9-Q13 PolarHBondContact O-N 2.89Å
10C49.8Very low49.1Very low83 Ų83113.5 Ų113.556%0.56162%0.622SS**Hα-helixtrans-71.5-31.3175.3-69.10000113V6 A14V6-C10 PolarHBondContact O-N 3.12Å; V6-C10 PolarHBondContact O-SG 2.87Å; V6-C10 VanDerWaalsContact O-SG 3.39Å; C10-A14 PolarHBondContact O-N 3.4Å
11L47.7Very low48.8Very low111 Ų111110.8 Ų110.858%0.58162%0.616SS**Hα-helixtrans-74.8-33.9177.2-77.5163.3000112.7L7 A14 E15L7-L11 WeakPolarHBondContact O-CD1 3.24Å; L7-L11 WeakPolarHBondContact O-CG 3.4Å; L7-L11 PolarHBondContact O-N 2.84Å; L7-L11 VanDerWaalsContact O-N 3.16Å; L11-A14 PolarHBondContact O-N 3Å; L11-E15 PolarHBondContact O-N 3.06Å
12S48Very low48.1Very low61 Ų61105.6 Ų105.643%0.42759%0.589SS.*Hα-helixtrans-71.6-32.2177.663.20000113.3L8 I9 L16L8-S12 PolarHBondContact O-N 2.83Å; L8-S12 PolarHBondContact O-OG 2.91Å; I9-S12 PolarHBondContact O-OG 3.46Å; I9-S12 VanDerWaalsContact O-OG 3.07Å; S12-L16 PolarHBondContact O-N 3.47Å
13Q49.7Very low47.3Very low149 Ų149110.1 Ų110.170%0.69660%0.595SS**Hα-helixtrans-75.4-25.3174.7-67.7-152.4-17.400113.5I9 G17I9-Q13 PolarHBondContact O-N 2.89Å; Q13-G17 PolarHBondContact O-N 3.05Å
14A48.5Very low46.7Very low54 Ų54107.8 Ų107.845%0.44659%0.59SS.*Hα-helixtrans-75.4-24.2177.500000113.6C10 L11C10-A14 PolarHBondContact O-N 3.4Å; L11-A14 PolarHBondContact O-N 3Å
15E47.4Very low46.2Very low147 Ų147110.7 Ų110.769%0.68759%0.591SS**Hα-helixtrans-83.8-38.2174.5-75.9-166.4153.900112.6L11 G17 R18 V19L11-E15 PolarHBondContact O-N 3.06Å; E15-G17 PolarHBondContact O-N 3.49Å; E15-R18 PolarHBondContact O-N 3.33Å; E15-R18 VanDerWaalsContact O-N 3.1Å; E15-V19 PolarHBondContact O-N 3.45Å
16L44.1Very low45.4Very low115 Ų115114.7 Ų114.760%0.60261%0.605SS**Hα-helixtrans-64-37.7176.4-98.1140.1000113.1S12 R18 V19 W20S12-L16 PolarHBondContact O-N 3.47Å; L16-R18 PolarHBondContact O-N 3.14Å; L16-V19 PolarHBondContact O-N 3.04Å; L16-W20 PolarHBondContact O-N 3.15Å
17G45.5Very low44.3Very low49 Ų49114.3 Ų114.351%0.50561%0.611SS.*Hα-helixtrans-67.8-21.9173.900000114Q13 E15 A21Q13-G17 PolarHBondContact O-N 3.05Å; E15-G17 PolarHBondContact O-N 3.49Å; G17-A21 WeakPolarHBondContact O-CB 3.07Å; G17-A21 PolarHBondContact O-N 2.93Å
18R43.9Very low43.4Very low193 Ų193119.5 Ų119.573%0.72863%0.625SS**Hα-helixtrans-86-28.7-179.4-144.5-175.2-71.4-1185.9112.4E15 L16E15-R18 PolarHBondContact O-N 3.33Å; E15-R18 VanDerWaalsContact O-N 3.1Å; L16-R18 PolarHBondContact O-N 3.14Å
19V44.1Very low42.4Very low91 Ų91125 Ų12555%0.55264%0.637SS**Hα-helixtrans-73.8-41.4175.4177.50000111.2E15 L16 Q22 E23E15-V19 PolarHBondContact O-N 3.45Å; L16-V19 PolarHBondContact O-N 3.04Å; V19-Q22 PolarHBondContact O-N 3.34Å; V19-E23 PolarHBondContact O-N 2.84Å
20W39.2Very low41Very low194 Ų194123.6 Ų123.674%0.73565%0.649SS**Hα-helixtrans-71.9-29.4177.6-83.156.4000113.9L16 Q22 C24L16-W20 PolarHBondContact O-N 3.15Å; W20-Q22 VanDerWaalsContact C-N 3.3Å; W20-Q22 PolarHBondContact O-N 3.24Å; W20-C24 PolarHBondContact O-N 2.93Å
21A44.3Very low40Very low58 Ų58126.6 Ų126.648%0.47967%0.665SS.*Hα-helixtrans-75.3-18.2175.900000113.6G17G17-A21 WeakPolarHBondContact O-CB 3.07Å; G17-A21 PolarHBondContact O-N 2.93Å
22Q38.2Very low39Very low128 Ų128125.1 Ų125.160%0.59867%0.669SS**Hα-helixtrans-84.7-38.2175.9-162.376.53.300111V19 W20 C24 K25V19-Q22 PolarHBondContact O-N 3.34Å; W20-Q22 VanDerWaalsContact C-N 3.3Å; W20-Q22 PolarHBondContact O-N 3.24Å; Q22-C24 VanDerWaalsContact C-N 3.34Å; Q22-C24 PolarHBondContact O-N 3.17Å; Q22-K25 PolarHBondContact O-N 3.07Å
23E37.8Very low38Very low150 Ų150129.5 Ų129.570%0.70169%0.687SS**Hα-helixtrans-72.8-26.1-179.5-152150.2-160.400112.8V19 K25V19-E23 PolarHBondContact O-N 2.84Å; E23-K25 VanDerWaalsContact C-N 3.35Å
24C36.5Very low36.8Very low99 Ų99133.9 Ų133.967%0.66970%0.697SS**THydrogen-bonded Turntrans-82.9-6175.5-150.80000114.3W20 Q22W20-C24 PolarHBondContact O-N 2.93Å; Q22-C24 VanDerWaalsContact C-N 3.34Å; Q22-C24 PolarHBondContact O-N 3.17Å
25K37Very low35.8Very low157 Ų157136.5 Ų136.568%0.68371%0.708SS**THydrogen-bonded Turntrans-94.9-17.1177.9-96.8178.7177.9171.60114.5Q22 E23Q22-K25 PolarHBondContact O-N 3.07Å; E23-K25 VanDerWaalsContact C-N 3.35Å
26D35.2Very low34.9Very low138 Ų138137.3 Ų137.374%0.73872%0.716SS**SBendtrans-94.1-7.6178.4-71.7-23.3000113.7
27A36.8Very low34Very low82 Ų82135 Ų13568%0.67872%0.721SS**SBendtrans-89.2-6.7174.500000114.4
28Y32.6Very low33Very low219 Ų219140.3 Ų140.386%0.85974%0.737SS**SBendtrans-126.154.7-178.5-109.4-89.1000111.8
29R27.9Very low32.1Very low240 Ų240137 Ų13791%0.90674%0.739SS**  trans-142.583.7165.3-118.7-175.2-173.3-155.22.1111
30G27.6Very low31.3Very low78 Ų78136.9 Ų136.980%0.80475%0.748SS**  trans-156.9101.4169.200000109.2
31T27.8Very low30.6Very low146 Ų146132.1 Ų132.190%0.89674%0.744SS**  trans-69.8151.3-163.3-41.90000114.5
32A26Very low29.7Very low80 Ų80138 Ų13866%0.66176%0.759SS**  trans-76.9168.7174.200000115.2
33L28.1Very low29.1Very low152 Ų152138.4 Ų138.480%0.79676%0.761SS**  trans93.3114.1144.2-121.988.5000119.5
34R25.3Very low28.5Very low242 Ų242141.7 Ų141.791%0.91377%0.767SS**  -163.5139.1111.3-107.1177.2-177.8177.21113.3
35T27.5Very low28.1Very low109 Ų109143.9 Ų143.967%0.66978%0.777SS**  trans-84.3165.3179.333.80000114
36D27.1Very low27.5Very low163 Ų163147.5 Ų147.587%0.87279%0.787SS**  trans104.1129.8142.2-74.8-24.6000120.9
37G25.8Very low27.1Very low68 Ų68144.4 Ų144.470%0.70179%0.787SS**  trans12783.5135.200000118.3
38D24.8Very low26.6Very low159 Ų159148 Ų14885%0.8580%0.795SS**  59.5124.4116.4-87.9-1000124.5
39T25.5Very low26.3Very low125 Ų125149.2 Ų149.277%0.76780%0.798SS**  trans79.1129.8135.7-11.20000124.1
40A25.4Very low26.3Very low88 Ų88146.7 Ų146.773%0.72780%0.797SS**  trans67151.9141.100000118.6
41S25.2Very low26.3Very low94 Ų94150 Ų15066%0.65780%0.796SS**  cis174.1145.7-11.557.40000104.9
42F25.5Very low26.2Very low181 Ų181150.9 Ų150.979%0.79479%0.79SS**  trans66.6146.4156.1-84.6-120.8000116.3
43Q26.4Very low26.3Very low136 Ų136155 Ų15564%0.63680%0.796SS**  cis-166.7151.18.7-137.5171.31.300107.6
44R24.5Very low26.3Very low219 Ų219156.8 Ų156.883%0.82680%0.797SS**  trans25.5134.8144.6-71.7175.3178.7164.2-0.6119
45T27.4Very low26.3Very low145 Ų145153.4 Ų153.489%0.8979%0.791SS**  -160.5140.898.9-49.10000111.3
46R25.5Very low26.2Very low234 Ų234158.7 Ų158.788%0.88380%0.799SS**  trans-71.8147.2175.5175.7-175.8-174.81702111.6
47G26.7Very low26.1Very low73 Ų73159.8 Ų159.875%0.75380%0.798SS**  trans176.191.9165.800000114.1
48D26.5Very low26.2Very low157 Ų157161.3 Ų161.384%0.8480%0.804SS**  trans-51.8137.3164-80.4-51.4000112.3
49R26.8Very low26.2Very low244 Ų244164.4 Ų164.492%0.92180%0.804SS**  trans-166112.7134.8-126170.6160.3166.7-6112.1
50Q27.4Very low26.3Very low188 Ų188166 Ų16688%0.87981%0.808SS**  trans-53.3134.4152.3-72.4171.2-35.700109.5
51N26.3Very low26.4Very low147 Ų147165.9 Ų165.979%0.78681%0.807SS**  -163.9142.1118.3-134.7-4.5000112.8
52Q27Very low26.6Very low164 Ų164170.4 Ų170.477%0.76682%0.818SS**  trans-52.7143.3163.7-65.2165.3-2000110.8
53Q27.3Very low26.7Very low168 Ų168166.7 Ų166.779%0.78582%0.82SS**  -175.6129.2120-145.4110.5-38.700111.8
54K27.6Very low26.8Very low189 Ų189169.7 Ų169.782%0.82284%0.835SS**  trans-12.6130.8150.3-70.2168.8170.31750116.7
55H26.6Very low27Very low170 Ų170162.7 Ų162.779%0.78783%0.831SS**  trans-144.1110.6139.9-96.8-73.9000107.7
56R24.7Very low27.3Very low220 Ų220160.4 Ų160.483%0.8384%0.836SS**  75.7110.673.4-157.6178.8-165.4178.73.3110.3
57E26.2Very low27.4Very low186 Ų186152.3 Ų152.387%0.86983%0.825SS**  trans-42.6135.3169.6-62.1166133.300112
58A26.7Very low27.6Very low100 Ų100155.4 Ų155.483%0.82683%0.829SS**  trans-126.7111.7161.200000107.7
59R25.7Very low27.6Very low224 Ų224154.3 Ų154.385%0.84582%0.823SS**  trans-84.3135.9157.6-67.9-178.5-161.1-177.34.7107.3
60N26.7Very low28Very low160 Ų160149.5 Ų149.586%0.85681%0.814SS**  -170.5129.3126.1-95.3-13.9000113.2
61A28.8Very low28Very low84 Ų84144.3 Ų144.369%0.69480%0.798SS**  trans63.4102.9137.200000121.4
62Q27.4Very low28.1Very low189 Ų189142.6 Ų142.688%0.88380%0.796SS**  43112122.8-83.2167.1-50.400119.9
63A27.8Very low28.2Very low103 Ų103141.7 Ų141.785%0.85180%0.795SS**  trans-133.112513700000108.3
64E28.9Very low28.3Very low200 Ų200139.1 Ų139.194%0.93579%0.793SS**  trans-67.6132.3175.9-72.7174.1135.700111.2
65G29Very low28.5Very low72 Ų72137.9 Ų137.974%0.74280%0.795SS**  trans-174.699.9170.200000108.6G67G65-G67 PolarHBondContact O-N 3.09Å; G65-G67 VanDerWaalsContact O-N 3.11Å
66G34.4Very low28.9Very low97 Ų97136.4 Ų136.4100%179%0.793SS**  trans-58.2111.5-175.300000112.7
67G26.7Very low29.1Very low63 Ų63132 Ų13265%0.64978%0.783SS**  trans-136.1123.6163.700000107.3G65 D69G65-G67 PolarHBondContact O-N 3.09Å; G65-G67 VanDerWaalsContact O-N 3.11Å; G67-D69 VanDerWaalsContact C-N 3.34Å; G67-D69 PolarHBondContact O-N 2.85Å
68V31.8Very low29.4Very low138 Ų138127.8 Ų127.884%0.83677%0.771SS**  trans-66.998172.4179.30000106.5I70V68-I70 HydrophobicContact CG1-CG1 4.35Å; V68-I70 PolarHBondContact O-N 2.84Å
69D25.3Very low29.9Very low135 Ų135129.1 Ų129.172%0.72276%0.755SS**  trans-71.594.3173.5-167.815.8000107.5G67 S71G67-D69 VanDerWaalsContact C-N 3.34Å; G67-D69 PolarHBondContact O-N 2.85Å; D69-S71 PolarHBondContact O-N 3.18Å
70I34.8Very low30.8Very low142 Ų142122.8 Ų122.873%0.72874%0.741SS**  trans-7187.7164.4-58.3173.3000104.7V68 P72V68-I70 HydrophobicContact CG1-CG1 4.35Å; V68-I70 PolarHBondContact O-N 2.84Å; I70-P72 WeakPolarHBondContact O-CD 3.36Å; I70-P72 VanDerWaalsContact O-N 3.12Å
71S27.7Very low32.4Very low79 Ų79115.9 Ų115.955%0.55270%0.704SS**PPolyproline II helixtrans-53119.7162.6-50.70000106.5D69 L73D69-S71 PolarHBondContact O-N 3.18Å; S71-L73 PolarHBondContact O-N 3.45Å
72P29.7Very low33.7Very low112 Ų112119.9 Ų119.973%0.72771%0.709SS**PPolyproline II helixtrans-59.4121.7170.926-31.3000105.5I70I70-P72 WeakPolarHBondContact O-CD 3.36Å; I70-P72 VanDerWaalsContact O-N 3.12Å
73L28.9Very low35.7Very low145 Ų145113.4 Ų113.476%0.75968%0.68SS**PPolyproline II helixtrans-47.9139166.1-92.184.2000107S71 D75S71-L73 PolarHBondContact O-N 3.45Å; L73-D75 PolarHBondContact O-N 2.83Å
74P28.2Very low37.6Very low114 Ų114112 Ų11274%0.7466%0.664SS**PPolyproline II helixtrans-56.6117.6169.922.6-29.9000108.1N76P74-N76 PolarHBondContact O-N 2.95Å
75D32.8Very low40.1Very low162 Ų162108 Ų10887%0.86665%0.646SS**SBendtrans-6554.4171.2-77.7-31.9000110.8L73L73-D75 PolarHBondContact O-N 2.83Å
76N35.1Very low42.8Very low139 Ų139108.9 Ų108.974%0.74363%0.629SS**  trans-142.951.7-172-132.49.8000111.8P74P74-N76 PolarHBondContact O-N 2.95Å
77M29Very low45.5Very low127 Ų127104.8 Ų104.863%0.62658%0.583SS**  trans-131.335.5159.4-147.9167.679.900112.8R79M77-R79 HydrophobicContact CG-CG 4.25Å; M77-R79 PolarHBondContact O-N 3.33Å
78T32.7Very low48.8Very low98 Ų98101.9 Ų101.960%0.60155%0.553SS**  trans-69.290.8147.538.80000106.7T80T78-T80 VanDerWaalsContact C-N 3.3Å; T78-T80 PolarHBondContact O-N 3Å
79R35.7Very low51.7Low129 Ų12998.8 Ų98.849%0.48753%0.531SS..  trans-67.696.7169.9-83.2-175.6174.5173.5-1.8107.5M77 V81 A463M77-R79 HydrophobicContact CG-CG 4.25Å; M77-R79 PolarHBondContact O-N 3.33Å; R79-V81 PolarHBondContact O-N 2.71Å; R79-A463 WeakPolarHBondContact O-CB 3.16Å
80T45.7Very low55Low91 Ų9195.4 Ų95.456%0.55851%0.508SS*.  trans-54119.5170.2-45.50000108.6T78 E82T78-T80 VanDerWaalsContact C-N 3.3Å; T78-T80 PolarHBondContact O-N 3Å; T80-E82 PolarHBondContact O-N 2.83Å
81V59.5Low57.8Low15 Ų1593.7 Ų93.79%0.09150%0.497CS..  trans-68.6113.6170.3-179.30000106.7R79 E275 A463R79-V81 PolarHBondContact O-N 2.71Å; V81-E275 HydrophobicContact CG2-CG 4.31Å; V81-A463 HydrophobicContact CG2-CB 3.67Å
82E56.7Low61Low167 Ų16792 Ų9278%0.7849%0.485SS*.  trans-71.7143.2-179.2-71.5-178.1165.300111.1T80 S84T80-E82 PolarHBondContact O-N 2.83Å; E82-S84 VanDerWaalsContact C-N 3.29Å; E82-S84 PolarHBondContact O-N 3.45Å
83D68.7Low64.1Low53 Ų5387.6 Ų87.628%0.28345%0.454SS..  trans-66.389.3172-179.37.6000109.5Q85D83-Q85 PolarHBondContact O-N 2.76Å; D83-Q85 PolarHBondContact OD1-N 3.39Å; D83-Q85 VanDerWaalsContact OD1-N 3.09Å
84S68.1Low67.2Low74 Ų7481.7 Ų81.752%0.51743%0.428SS..  trans-73.91.3-179.662.40000113.7E82 K86 H277E82-S84 VanDerWaalsContact C-N 3.29Å; E82-S84 PolarHBondContact O-N 3.45Å; S84-K86 PolarHBondContact O-N 3.02Å; S84-K86 VanDerWaalsContact OG-CB 3.26Å; S84-K86 WeakPolarHBondContact OG-CB 3.44Å; S84-H277 PolarHBondContact OG-CD2 2.83Å; S84-H277 VanDerWaalsContact OG-CD2 3.24Å; S84-H277 PolarHBondContact OG-NE2 3.09Å
85Q81.1Confident70.2Confident117 Ų11780.1 Ų80.155%0.54742%0.418SS..SBendtrans47.833.9-173.4-61.4-176-22.300112.5D83 L297D83-Q85 PolarHBondContact O-N 2.76Å; D83-Q85 PolarHBondContact OD1-N 3.39Å; D83-Q85 VanDerWaalsContact OD1-N 3.09Å; Q85-L297 WeakPolarHBondContact O-CD1 3.29Å
86K85.8Confident73Confident90 Ų9078.8 Ų78.839%0.39142%0.416SS..SBendtrans-86.4-35.9-171.9-177.8179.6175-1600112.5S84 D329S84-K86 PolarHBondContact O-N 3.02Å; S84-K86 VanDerWaalsContact OG-CB 3.26Å; S84-K86 WeakPolarHBondContact OG-CB 3.44Å; K86-D329 VanDerWaalsContact CE-OD2 3.3Å; K86-D329 WeakPolarHBondContact CE-OD2 3.46Å; K86-D329 IonicContact NZ-OD2 2.74Å; K86-D329 PolarHBondContact NZ-OD2 2.88Å
87Y91.8Very high75.7Confident10 Ų1075.6 Ų75.64%0.03940%0.399CS..SBendtrans-111-29.3-175-60.9-91.6000113.1Y140 Y276 H277 L297 T299 I331Y87-Y140 AromaticContact CD1-CD1 3.47Å; Y87-Y140 HydrophobicContact CD1-CD1 3.47Å; Y87-Y140 VanDerWaalsContact CD1-CD1 3.47Å; Y87-Y140 HydrophobicContact CD1-CE1 4.19Å; Y87-Y140 HydrophobicContact CD1-CG 4.3Å; Y87-Y140 AromaticContact CD2-CD1 3.7Å; Y87-Y140 HydrophobicContact CD2-CD1 3.7Å; Y87-Y140 AromaticContact CD2-CE1 3.6Å; Y87-Y140 HydrophobicContact CD2-CE1 3.6Å; Y87-Y140 HydrophobicContact CE1-CD1 4.1Å; Y87-Y140 HydrophobicContact CE2-CD1 4.29Å; Y87-Y140 HydrophobicContact CE2-CE1 4.38Å; Y87-Y140 AromaticContact CG-CD1 3.27Å; Y87-Y140 HydrophobicContact CG-CD1 3.27Å; Y87-Y140 AromaticContact CG-CE1 3.5Å; Y87-Y140 HydrophobicContact CG-CE1 3.5Å; Y87-Y140 HydrophobicContact CG-CG 4.34Å; Y87-Y276 HydrophobicContact CE1-CE2 4.34Å; Y87-Y276 HydrophobicContact CE2-CD2 4.24Å; Y87-Y276 AromaticContact CE2-CE2 3.98Å; Y87-Y276 HydrophobicContact CE2-CE2 3.98Å; Y87-Y276 AromaticContact CZ-CE2 3.79Å; Y87-H277 HydrophobicContact CD2-CB 3.91Å; Y87-H277 AromaticContact CD2-CD2 3.51Å; Y87-H277 AromaticContact CD2-CG 3.5Å; Y87-H277 AromaticContact CD2-ND1 3.88Å; Y87-H277 AromaticContact CD2-NE2 3.84Å; Y87-H277 HydrophobicContact CE2-CB 3.9Å; Y87-H277 AromaticContact CE2-CD2 3.85Å; Y87-H277 AromaticContact CE2-CG 3.91Å; Y87-L297 PolarHBondContact O-N 2.54Å; Y87-T299 HydrophobicContact CD1-CG2 3.76Å; Y87-T299 HydrophobicContact CE1-CG2 4.24Å; Y87-I331 PolarHBondContact OH-O 2.82Å
88Y94.7Very high78.6Confident2 Ų280 Ų801%0.00841%0.409CS..EExtended strand (participates in β ladder)trans-142147.3179.1-71.3-90.8000110.1P138 F139 Y140 I227 L252 F294 S295 P296Y88-P138 PolarHBondContact OH-O 2.93Å; Y88-F139 HydrophobicContact CE2-CD2 4.48Å; Y88-F139 WeakPolarHBondContact OH-CD2 3.41Å; Y88-Y140 HydrophobicContact CD2-CD2 4.49Å; Y88-Y140 HydrophobicContact CD2-CE2 4.1Å; Y88-Y140 AromaticContact CE2-CD2 3.71Å; Y88-Y140 HydrophobicContact CE2-CD2 3.71Å; Y88-Y140 AromaticContact CE2-CE2 3.67Å; Y88-Y140 HydrophobicContact CE2-CE2 3.67Å; Y88-Y140 HydrophobicContact CE2-CG 4.23Å; Y88-I227 HydrophobicContact CE1-CD1 4.12Å; Y88-L252 HydrophobicContact CD1-CD1 4.06Å; Y88-L252 HydrophobicContact CD2-CD1 3.81Å; Y88-L252 HydrophobicContact CE1-CD1 4.36Å; Y88-L252 HydrophobicContact CE2-CD1 4.12Å; Y88-L252 HydrophobicContact CG-CD1 3.78Å; Y88-F294 HydrophobicContact CD1-CB 4.06Å; Y88-S295 WeakPolarHBondContact CA-O 3.04Å; Y88-P296 HydrophobicContact CD1-CB 4.22Å; Y88-P296 HydrophobicContact CE1-CB 3.82Å
89I94.5Very high81.4Confident74 Ų7480.5 Ų80.538%0.37940%0.403SS..EExtended strand (participates in β ladder)trans-112.2156.4161.460.3175.9000108.5F294 S295 L297I89-F294 CarbonylContact O-C 3.44Å; I89-F294 VanDerWaalsContact O-CA 3.28Å; I89-F294 WeakPolarHBondContact O-CA 3.38Å; I89-S295 PolarHBondContact N-O 2.81Å; I89-S295 PolarHBondContact O-N 2.92Å; I89-L297 HydrophobicContact CG2-CD1 3.95Å; I89-L297 HydrophobicContact CG2-CD2 4.16Å; I89-L297 HydrophobicContact CG2-CG 4.23Å
90W94.2Very high84Confident63 Ų6375 Ų7524%0.23938%0.384CS..EExtended strand (participates in β ladder)trans-136.9149179.765.1-93.5000113.3I281 F292 E293 F294W90-I281 HydrophobicContact CD2-CG2 4.06Å; W90-I281 HydrophobicContact CE3-CG2 4.44Å; W90-I281 HydrophobicContact CG-CG2 4.31Å; W90-F292 AromaticContact CE3-CD1 3.99Å; W90-F292 HydrophobicContact CE3-CD1 3.99Å; W90-F292 HydrophobicContact CE3-CE1 4.45Å; W90-F292 HydrophobicContact CZ3-CD1 4.08Å; W90-F292 HydrophobicContact CZ3-CE1 4.08Å; W90-E293 CarbonylContact C-O 3.55Å; W90-E293 WeakPolarHBondContact CA-O 3.4Å; W90-F294 HydrophobicContact CB-CD1 3.59Å; W90-F294 HydrophobicContact CB-CE1 3.78Å; W90-F294 HydrophobicContact CB-CG 4.19Å; W90-F294 HydrophobicContact CG-CD1 4.37Å; W90-F294 HydrophobicContact CG-CE1 4.19Å
91E94.1Very high86.1Confident107 Ų10778.1 Ų78.150%0.539%0.392SS..EExtended strand (participates in β ladder)trans-120.9146.2171.8-62.3-168123.900109.7F93 F292 E293E91-F93 HydrophobicContact CB-CE1 4.48Å; E91-F93 HydrophobicContact CB-CE2 4.21Å; E91-F93 HydrophobicContact CB-CZ 3.84Å; E91-F292 VanDerWaalsContact O-CA 3.29Å; E91-F292 WeakPolarHBondContact O-CA 3.06Å; E91-E293 PolarHBondContact N-O 3.01Å; E91-E293 PolarHBondContact O-N 3.47Å
92S94.3Very high87.6Confident43 Ų4384.4 Ų84.430%0.30142%0.424SS..EExtended strand (participates in β ladder)trans-112.3137.9175.159.60000111.2
93F95.5Very high89.4Confident19 Ų1977.7 Ų77.78%0.08339%0.394CS..EExtended strand (participates in β ladder)trans-120.7132.6177-52-71.9000109.9E91 D97 K99 T100 L103 S290 A291 E293E91-F93 HydrophobicContact CB-CE1 4.48Å; E91-F93 HydrophobicContact CB-CE2 4.21Å; E91-F93 HydrophobicContact CB-CZ 3.84Å; F93-D97 HydrophobicContact CB-CB 4.17Å; F93-K99 HydrophobicContact CD1-CB 4.08Å; F93-K99 HydrophobicContact CD1-CD 3.91Å; F93-K99 HydrophobicContact CE1-CB 4.38Å; F93-K99 HydrophobicContact CE1-CD 3.42Å; F93-K99 VanDerWaalsContact CE1-CD 3.42Å; F93-K99 HydrophobicContact CG-CB 4.33Å; F93-K99 HydrophobicContact CZ-CD 3.89Å; F93-T100 WeakPolarHBondContact CB-OG1 3.46Å; F93-L103 HydrophobicContact CD2-CD1 3.55Å; F93-L103 HydrophobicContact CE2-CD1 3.78Å; F93-L103 HydrophobicContact CG-CD1 4.41Å; F93-S290 WeakPolarHBondContact O-CA 3.43Å; F93-S290 WeakPolarHBondContact O-CB 3.5Å; F93-A291 HydrophobicContact CB-CB 4.38Å; F93-A291 HydrophobicContact CD2-CB 4.42Å; F93-A291 PolarHBondContact N-O 2.64Å; F93-A291 PolarHBondContact O-N 2.91Å; F93-E293 HydrophobicContact CE2-CB 3.81Å
94G92.8Very high90.6Very high21 Ų2177.8 Ų77.822%0.21639%0.39CS..  trans-89.9-179.8-178.900000113.6T96 D97 T100 G289G94-T96 PolarHBondContact O-N 2.81Å; G94-D97 PolarHBondContact N-OD2 2.8Å; G94-D97 WeakPolarHBondContact O-CB 3.47Å; G94-D97 PolarHBondContact O-N 3.28Å; G94-D97 VanDerWaalsContact O-N 3.15Å; G94-T100 PolarHBondContact O-OG1 2.7Å; G94-G289 CarbonylContact C-O 3.43Å
95P91.8Very high91.8Very high81 Ų8175.8 Ų75.853%0.52637%0.374SS..THydrogen-bonded Turntrans-63.6-23.9179.2-22.934.8000115.2V287 S288 G289P95-V287 HydrophobicContact CG-CG2 3.66Å; P95-S288 WeakPolarHBondContact CG-O 3.3Å; P95-G289 WeakPolarHBondContact CA-O 3.37Å
96T90.9Very high92.3Very high135 Ų13573 Ų7383%0.82836%0.363SS*.THydrogen-bonded Turntrans-89.3-8.9179.152.60000113.1G94G94-T96 PolarHBondContact O-N 2.81Å
97D91.9Very high92.4Very high71 Ų7169 Ų6938%0.3835%0.346SS..  trans-80.6124.2-177.7-73.8-53.2000110.8F93 G94 K99 T100F93-D97 HydrophobicContact CB-CB 4.17Å; G94-D97 PolarHBondContact N-OD2 2.8Å; G94-D97 WeakPolarHBondContact O-CB 3.47Å; G94-D97 PolarHBondContact O-N 3.28Å; G94-D97 VanDerWaalsContact O-N 3.15Å; D97-K99 PolarHBondContact O-N 3.47Å; D97-K99 VanDerWaalsContact O-N 3.14Å; D97-T100 WeakPolarHBondContact O-CB 3.42Å; D97-T100 PolarHBondContact O-N 3.36Å; D97-T100 PolarHBondContact O-OG1 2.8Å
98R90.3Very high92Very high219 Ų21973.3 Ų73.383%0.82637%0.37SS*.Hα-helixtrans-58.9-27.3175.5-68.4-177.3174.2-177.1-2.2112.8T100R98-T100 VanDerWaalsContact C-N 3.28Å; R98-T100 PolarHBondContact O-N 3.41Å
99K90.6Very high91Very high109 Ų10979.7 Ų79.747%0.47440%0.404SS..Hα-helixtrans-62.1-35.6176.5-79.3-171.9172.2-169.20111.9F93 D97 E101 L102 L103F93-K99 HydrophobicContact CD1-CB 4.08Å; F93-K99 HydrophobicContact CD1-CD 3.91Å; F93-K99 HydrophobicContact CE1-CB 4.38Å; F93-K99 HydrophobicContact CE1-CD 3.42Å; F93-K99 VanDerWaalsContact CE1-CD 3.42Å; F93-K99 HydrophobicContact CG-CB 4.33Å; F93-K99 HydrophobicContact CZ-CD 3.89Å; D97-K99 PolarHBondContact O-N 3.47Å; D97-K99 VanDerWaalsContact O-N 3.14Å; K99-E101 VanDerWaalsContact C-N 3.31Å; K99-E101 PolarHBondContact O-N 2.98Å; K99-L102 WeakPolarHBondContact O-CB 3.47Å; K99-L102 PolarHBondContact O-N 2.8Å; K99-L103 VanDerWaalsContact O-CG 3.3Å; K99-L103 WeakPolarHBondContact O-CG 3.21Å; K99-L103 PolarHBondContact O-N 3.09Å
100T91.7Very high89.9Confident14 Ų1478.8 Ų78.89%0.08640%0.4CS..Hα-helixtrans-59.6-41.7-178.1-51.90000112F93 G94 D97 R98 L102 L103 W104 G289 A291F93-T100 WeakPolarHBondContact CB-OG1 3.46Å; G94-T100 PolarHBondContact O-OG1 2.7Å; D97-T100 WeakPolarHBondContact O-CB 3.42Å; D97-T100 PolarHBondContact O-N 3.36Å; D97-T100 PolarHBondContact O-OG1 2.8Å; R98-T100 VanDerWaalsContact C-N 3.28Å; R98-T100 PolarHBondContact O-N 3.41Å; T100-L102 VanDerWaalsContact C-N 3.33Å; T100-L102 PolarHBondContact O-N 3.49Å; T100-L103 PolarHBondContact O-N 2.61Å; T100-W104 PolarHBondContact O-N 2.8Å; T100-G289 WeakPolarHBondContact CG2-O 3.46Å; T100-A291 HydrophobicContact CG2-CB 3.77Å
101E89.3Confident88.6Confident157 Ų15782.8 Ų82.873%0.73442%0.421SS*.Hα-helixtrans-67.3-34.1176.7-65.5-178.6167.500112.4K99 W104K99-E101 VanDerWaalsContact C-N 3.31Å; K99-E101 PolarHBondContact O-N 2.98Å; E101-W104 PolarHBondContact O-N 2.93Å
102L91.9Very high87Confident146 Ų14687.3 Ų87.376%0.76444%0.439SS*.Hα-helixtrans-72.6-29.4178.7-65.2172.2000112.8K99 T100 W104K99-L102 WeakPolarHBondContact O-CB 3.47Å; K99-L102 PolarHBondContact O-N 2.8Å; T100-L102 VanDerWaalsContact C-N 3.33Å; T100-L102 PolarHBondContact O-N 3.49Å; L102-W104 VanDerWaalsContact C-N 3.31Å
103L93.8Very high85.4Confident27 Ų2790.2 Ų90.214%0.14146%0.459CS..Hα-helixtrans-78-16.7178.9-68.9170.1000112.5F93 K99 T100 I228 N230 A291F93-L103 HydrophobicContact CD2-CD1 3.55Å; F93-L103 HydrophobicContact CE2-CD1 3.78Å; F93-L103 HydrophobicContact CG-CD1 4.41Å; K99-L103 VanDerWaalsContact O-CG 3.3Å; K99-L103 WeakPolarHBondContact O-CG 3.21Å; K99-L103 PolarHBondContact O-N 3.09Å; T100-L103 PolarHBondContact O-N 2.61Å; L103-I228 HydrophobicContact CB-CG2 4.05Å; L103-I228 HydrophobicContact CD1-CG2 4.46Å; L103-I228 HydrophobicContact CD2-CD1 3.72Å; L103-I228 HydrophobicContact CD2-CG1 4.31Å; L103-I228 HydrophobicContact CD2-CG2 4.21Å; L103-I228 HydrophobicContact CG-CG2 4.47Å; L103-N230 WeakPolarHBondContact CB-OD1 3.47Å; L103-N230 PolarHBondContact O-ND2 2.8Å; L103-A291 HydrophobicContact CD1-CB 3.93Å
104W94.5Very high84.4Confident55 Ų5593.5 Ų93.521%0.20848%0.475CS..  trans-77.3130.1178.1-178.3-91.7000112T100 E101 L102 T216 Q218 N230 K232T100-W104 PolarHBondContact O-N 2.8Å; E101-W104 PolarHBondContact O-N 2.93Å; L102-W104 VanDerWaalsContact C-N 3.31Å; W104-T216 HydrophobicContact CH2-CG2 4.15Å; W104-Q218 HydrophobicContact CE3-CG 4.42Å; W104-Q218 HydrophobicContact CH2-CG 3.61Å; W104-Q218 HydrophobicContact CZ2-CG 4.25Å; W104-Q218 HydrophobicContact CZ3-CB 4.26Å; W104-Q218 HydrophobicContact CZ3-CG 3.7Å; W104-N230 HydrophobicContact CE3-CB 3.65Å; W104-N230 HydrophobicContact CZ3-CB 3.97Å; W104-K232 HydrophobicContact CE3-CB 4.38Å; W104-K232 HydrophobicContact CH2-CB 3.68Å; W104-K232 HydrophobicContact CH2-CD 3.85Å; W104-K232 HydrophobicContact CH2-CG 4.41Å; W104-K232 HydrophobicContact CZ2-CB 4.38Å; W104-K232 HydrophobicContact CZ2-CD 3.71Å; W104-K232 HydrophobicContact CZ3-CB 3.68Å; W104-K232 HydrophobicContact CZ3-CD 4.47Å
105V93.2Very high84.1Confident31 Ų3193.6 Ų93.619%0.18847%0.471CS..  trans-101114176.4-176.70000109.8L107 L110 M191 L196 V198 Q218V105-L107 HydrophobicContact CG1-CD2 4.1Å; V105-L107 PolarHBondContact O-N 2.91Å; V105-L107 VanDerWaalsContact O-N 3.12Å; V105-L110 HydrophobicContact CG1-CD1 4.49Å; V105-M191 HydrophobicContact CG1-CE 3.71Å; V105-L196 HydrophobicContact CG2-CD2 4.29Å; V105-V198 HydrophobicContact CB-CG1 4.38Å; V105-V198 HydrophobicContact CB-CG2 4.17Å; V105-V198 HydrophobicContact CG1-CG2 4.17Å; V105-V198 HydrophobicContact CG2-CG2 4.02Å; V105-Q218 PolarHBondContact O-NE2 3.05Å; V105-Q218 PolarHBondContact O-OE1 3.45Å
106D90.6Very high83.9Confident59 Ų5997.6 Ų97.632%0.31648%0.476SS..  trans-79.497.5178.4-167.2-4.9000112.1N108 N109D106-N108 PolarHBondContact O-N 3.06Å; D106-N108 WeakPolarHBondContact OD1-CB 3.41Å; D106-N108 PolarHBondContact OD1-N 3.25Å; D106-N108 PolarHBondContact OD1-ND2 2.96Å; D106-N109 PolarHBondContact O-N 3.18Å; D106-N109 PolarHBondContact OD2-ND2 3.11Å
107L88.4Confident83.8Confident5 Ų596.5 Ų96.53%0.02646%0.463CS..THydrogen-bonded Turntrans-69.6-9.9176.5-58.7-175.6000113.9V105 L110 V115 R189 M191 V198 Q200V105-L107 HydrophobicContact CG1-CD2 4.1Å; V105-L107 PolarHBondContact O-N 2.91Å; V105-L107 VanDerWaalsContact O-N 3.12Å; L107-L110 HydrophobicContact CD2-CD1 4Å; L107-V115 HydrophobicContact CB-CG1 4.28Å; L107-V115 HydrophobicContact CB-CG2 4.24Å; L107-V115 HydrophobicContact CD1-CG1 4.48Å; L107-V115 HydrophobicContact CD2-CG2 4.32Å; L107-R189 HydrophobicContact CD1-CG 4.06Å; L107-M191 HydrophobicContact CD2-CB 3.81Å; L107-M191 HydrophobicContact CD2-CE 3.7Å; L107-M191 HydrophobicContact CD2-CG 4.48Å; L107-V198 HydrophobicContact CD2-CB 4.49Å; L107-V198 HydrophobicContact CD2-CG1 4.48Å; L107-Q200 HydrophobicContact CD1-CB 3.75Å
108N83Confident83.7Confident101 Ų10193.8 Ų93.854%0.5445%0.448SS..THydrogen-bonded Turntrans-85.1-27.9178.7-53-59.6000112.8D106 R189D106-N108 PolarHBondContact O-N 3.06Å; D106-N108 WeakPolarHBondContact OD1-CB 3.41Å; D106-N108 PolarHBondContact OD1-N 3.25Å; D106-N108 PolarHBondContact OD1-ND2 2.96Å; N108-R189 PolarHBondContact OD1-NH1 2.95Å
109N73.6Confident83.5Confident137 Ų13785.6 Ų85.673%0.73343%0.432SS*.SBendtrans-87.5-10.4-178.2-74.2-25.4000113.4D106D106-N109 PolarHBondContact O-N 3.18Å; D106-N109 PolarHBondContact OD2-ND2 3.11Å
110L72.6Confident83.3Confident54 Ų5483.4 Ų83.428%0.28343%0.425SS..SBendtrans-77.6151.5176.6-67.9168.2000110.8V105 L107 K112 V115 M191V105-L110 HydrophobicContact CG1-CD1 4.49Å; L107-L110 HydrophobicContact CD2-CD1 4Å; L110-K112 PolarHBondContact O-N 3.18Å; L110-K112 VanDerWaalsContact O-N 3.15Å; L110-V115 HydrophobicContact CB-CG2 4.1Å; L110-V115 HydrophobicContact CD1-CG2 4.37Å; L110-M191 HydrophobicContact CD1-CE 3.25Å; L110-M191 HydrophobicContact CD1-CG 4.19Å; L110-M191 HydrophobicContact CD1-SD 4.1Å
111H66.3Low83.3Confident147 Ų14782.7 Ų82.768%0.68142%0.421SS*.  trans-52.9125.9174-81.6-82.5000109.3S113 Q114H111-S113 PolarHBondContact O-N 3.32Å; H111-Q114 PolarHBondContact O-N 3.45Å
112K59.8Low83.4Confident202 Ų20275.5 Ų75.588%0.87839%0.388SS*.THydrogen-bonded Turntrans-51.6-19.2-177.1-72.1-177177.81800114.3L110L110-K112 PolarHBondContact O-N 3.18Å; L110-K112 VanDerWaalsContact O-N 3.15Å
113S60.5Low83.2Confident105 Ų10573.2 Ų73.273%0.73438%0.376SS*.THydrogen-bonded Turntrans-75.2-18.5176.2540000114.7H111H111-S113 PolarHBondContact O-N 3.32Å
114Q75.1Confident82.9Confident88 Ų8873.9 Ų73.941%0.41138%0.382SS..THydrogen-bonded Turntrans-93.2-24.7-178.7-69.4176.9-19.800113H111 M191H111-Q114 PolarHBondContact O-N 3.45Å; Q114-M191 HydrophobicContact CB-CG 4.3Å
115V86.1Confident82.7Confident22 Ų2273.5 Ų73.513%0.13338%0.382CS..EExtended strand (participates in β ladder)trans-98.1120.8-179.2-175.70000109.5L107 L110 R189 M191L107-V115 HydrophobicContact CB-CG1 4.28Å; L107-V115 HydrophobicContact CB-CG2 4.24Å; L107-V115 HydrophobicContact CD1-CG1 4.48Å; L107-V115 HydrophobicContact CD2-CG2 4.32Å; L110-V115 HydrophobicContact CB-CG2 4.1Å; L110-V115 HydrophobicContact CD1-CG2 4.37Å; V115-R189 HydrophobicContact CG1-CB 4.27Å; V115-M191 HydrophobicContact CG2-CB 4.22Å; V115-M191 HydrophobicContact CG2-CG 4.25Å
116R88.8Confident82.3Confident166 Ų16673.5 Ų73.563%0.62638%0.379SS*.EExtended strand (participates in β ladder)trans-102.3123.7177.8-62.8-173.9-179.5-170.81109.6R189 Y190R116-R189 CarbonylContact O-C 3.57Å; R116-R189 VanDerWaalsContact O-CA 3.24Å; R116-R189 WeakPolarHBondContact O-CA 3.19Å; R116-Y190 HydrophobicContact CB-CD2 4.28Å; R116-Y190 HydrophobicContact CB-CE2 3.82Å; R116-Y190 HydrophobicContact CG-CE2 4.33Å; R116-Y190 PolarHBondContact N-O 2.91Å; R116-Y190 PolarHBondContact O-N 2.84Å
117I89Confident82.2Confident111 Ų11172.2 Ų72.257%0.56937%0.371SS*.EExtended strand (participates in β ladder)trans-91.2122.2169.9-57.6174.9000107.3G119 T187 R189I117-G119 PolarHBondContact O-N 2.82Å; I117-T187 HydrophobicContact CG2-CG2 4.37Å; I117-R189 HydrophobicContact CG1-CB 4.1Å
118H88.4Confident82.3Confident14 Ų1472 Ų727%0.06537%0.37CS..  trans-85.6112.4-177.8-165.2-60000110.5I120 L121 S122 A129 V188 Y190H118-I120 PolarHBondContact ND1-N 3.02Å; H118-I120 PolarHBondContact O-N 2.92Å; H118-L121 HydrophobicContact CB-CB 4.03Å; H118-L121 HydrophobicContact CB-CD1 4.06Å; H118-L121 HydrophobicContact CB-CG 4.18Å; H118-L121 PolarHBondContact ND1-N 3.13Å; H118-S122 VanDerWaalsContact O-CB 3.25Å; H118-S122 WeakPolarHBondContact O-CB 3.37Å; H118-S122 PolarHBondContact O-N 2.77Å; H118-S122 PolarHBondContact O-OG 2.96Å; H118-A129 WeakPolarHBondContact NE2-CB 3.37Å; H118-V188 PolarHBondContact N-O 2.9Å; H118-Y190 HydrophobicContact CB-CE1 4.09Å
119G87.2Confident82.7Confident47 Ų4767.2 Ų67.249%0.48534%0.344SS..Hα-helixtrans-57.8-50.7-175.200000113.9I117 S122 N123I117-G119 PolarHBondContact O-N 2.82Å; G119-S122 PolarHBondContact O-N 3.16Å; G119-N123 PolarHBondContact O-ND2 3.02Å
120I86.8Confident83.6Confident63 Ų6365.3 Ų65.332%0.32333%0.327SS..Hα-helixtrans-65.6-59.9-179-58.8168.6000110.1H118 S122 N123 T124 Q127 A478H118-I120 PolarHBondContact ND1-N 3.02Å; H118-I120 PolarHBondContact O-N 2.92Å; I120-S122 PolarHBondContact O-N 3Å; I120-N123 PolarHBondContact O-N 3.1Å; I120-T124 HydrophobicContact CG2-CG2 3.95Å; I120-T124 PolarHBondContact O-N 3.18Å; I120-T124 PolarHBondContact O-OG1 2.95Å; I120-Q127 HydrophobicContact CG2-CB 4.3Å; I120-Q127 HydrophobicContact CG2-CG 4.05Å; I120-A478 HydrophobicContact CB-CB 4.15Å; I120-A478 HydrophobicContact CD1-CB 3.81Å; I120-A478 HydrophobicContact CG2-CB 3.73Å
121L89.8Confident84.5Confident0 Ų063.3 Ų63.30%032%0.317CS..Hα-helixtrans-53-27.6178.8-58.2-178000114.7H118 N123 Q127 A129 V149 T151 P180 V188H118-L121 HydrophobicContact CB-CB 4.03Å; H118-L121 HydrophobicContact CB-CD1 4.06Å; H118-L121 HydrophobicContact CB-CG 4.18Å; H118-L121 PolarHBondContact ND1-N 3.13Å; L121-N123 VanDerWaalsContact C-N 3.35Å; L121-Q127 HydrophobicContact CD2-CB 3.95Å; L121-A129 HydrophobicContact CD1-CB 3.8Å; L121-A129 HydrophobicContact CD2-CB 4.13Å; L121-A129 HydrophobicContact CG-CB 4.03Å; L121-V149 HydrophobicContact CD1-CB 4.18Å; L121-V149 HydrophobicContact CD1-CG1 4Å; L121-T151 HydrophobicContact CB-CG2 3.94Å; L121-T151 HydrophobicContact CD2-CG2 3.68Å; L121-T151 HydrophobicContact CG-CG2 4.41Å; L121-T151 VanDerWaalsContact O-CG2 3.3Å; L121-T151 WeakPolarHBondContact O-CG2 3.32Å; L121-P180 WeakPolarHBondContact O-CB 3.3Å; L121-P180 VanDerWaalsContact O-CG 3.28Å; L121-P180 WeakPolarHBondContact O-CG 3.28Å; L121-V188 HydrophobicContact CB-CB 3.87Å; L121-V188 HydrophobicContact CB-CG1 4.16Å; L121-V188 HydrophobicContact CB-CG2 4.15Å; L121-V188 HydrophobicContact CD1-CG1 4.06Å; L121-V188 WeakPolarHBondContact O-CG2 3.33Å
122S92.2Very high85.9Confident5 Ų559.9 Ų59.94%0.03531%0.314CS..Hα-helixtrans-79.4-13.4177.7-57.40000114.1H118 G119 I120 P180 V188H118-S122 VanDerWaalsContact O-CB 3.25Å; H118-S122 WeakPolarHBondContact O-CB 3.37Å; H118-S122 PolarHBondContact O-N 2.77Å; H118-S122 PolarHBondContact O-OG 2.96Å; G119-S122 PolarHBondContact O-N 3.16Å; I120-S122 PolarHBondContact O-N 3Å; S122-P180 VanDerWaalsContact O-CB 3.29Å; S122-P180 WeakPolarHBondContact O-CB 3.3Å; S122-V188 PolarHBondContact OG-N 3.48Å; S122-V188 PolarHBondContact OG-O 2.99Å
123N88.6Confident87.6Confident99 Ų9950.6 Ų50.653%0.52927%0.274SS..Hα-helixtrans-128.73.3-170.9-66.2-68.7000114.6G119 I120 L121 S181G119-N123 PolarHBondContact O-ND2 3.02Å; I120-N123 PolarHBondContact O-N 3.1Å; L121-N123 VanDerWaalsContact C-N 3.35Å; N123-S181 WeakPolarHBondContact O-CB 3.27Å
124T87.7Confident89.3Confident41 Ų4148.6 Ų48.625%0.25226%0.26SS..  trans-133.9150.6-171.956.50000112.6I120 Q127 T151I120-T124 HydrophobicContact CG2-CG2 3.95Å; I120-T124 PolarHBondContact O-N 3.18Å; I120-T124 PolarHBondContact O-OG1 2.95Å; T124-Q127 HydrophobicContact CG2-CG 4.29Å; T124-Q127 WeakPolarHBondContact OG1-CB 3.32Å; T124-Q127 WeakPolarHBondContact OG1-CG 3.01Å; T124-T151 WeakPolarHBondContact O-CG2 3.36Å
125H88.4Confident90.4Very high47 Ų4745.1 Ų45.122%0.21824%0.243CC..SBendtrans-87.4147.6171.2-171.4-130000111.9Q127 N177 D179H125-Q127 PolarHBondContact O-N 3.11Å; H125-N177 PolarHBondContact CE1-OD1 2.83Å; H125-N177 PolarHBondContact NE2-OD1 2.97Å; H125-D179 HydrophobicContact CB-CB 4.43Å; H125-D179 WeakPolarHBondContact CB-OD2 3.44Å; H125-D179 IonicContact CD2-OD2 2.7Å; H125-D179 IonicContact CG-OD2 2.88Å
126R85.8Confident90.8Very high30 Ų3047.2 Ų47.211%0.11325%0.254CS..SBendtrans5041.5174.2-71.8172.8174.7170.5-5.6114.2T151 E245 E473 F475 I476R126-T151 PolarHBondContact N-OG1 3.41Å; R126-E245 PolarHBondContact NH2-O 3.21Å; R126-E473 IonicContact NH1-OE2 3.81Å; R126-E473 PolarHBondContact NH1-OE2 3.3Å; R126-F475 VanDerWaalsContact C-CD1 3.43Å; R126-F475 HydrophobicContact CB-CD1 4.32Å; R126-F475 HydrophobicContact CB-CE1 4.4Å; R126-F475 HydrophobicContact CG-CE1 4.48Å; R126-F475 HydrophobicContact CG-CZ 4.47Å; R126-F475 WeakPolarHBondContact O-CA 3.33Å; R126-I476 PolarHBondContact O-N 3.39Å
127Q88.8Confident91.2Very high33 Ų3339.3 Ų39.315%0.15422%0.224CC..EExtended strand (participates in β ladder)trans-106.6152.5172.5-67-62.6-37.200110.5I120 L121 T124 H125 A150 T151 I476I120-Q127 HydrophobicContact CG2-CB 4.3Å; I120-Q127 HydrophobicContact CG2-CG 4.05Å; L121-Q127 HydrophobicContact CD2-CB 3.95Å; T124-Q127 HydrophobicContact CG2-CG 4.29Å; T124-Q127 WeakPolarHBondContact OG1-CB 3.32Å; T124-Q127 WeakPolarHBondContact OG1-CG 3.01Å; H125-Q127 PolarHBondContact O-N 3.11Å; Q127-A150 WeakPolarHBondContact O-CA 3.35Å; Q127-T151 HydrophobicContact CB-CG2 4.13Å; Q127-T151 PolarHBondContact N-OG1 2.86Å; Q127-T151 WeakPolarHBondContact O-CG2 3.34Å; Q127-T151 PolarHBondContact O-N 2.98Å; Q127-T151 PolarHBondContact O-OG1 2.89Å; Q127-I476 WeakPolarHBondContact CA-O 3.4Å; Q127-I476 PolarHBondContact OE1-O 2.89Å
128A90.2Very high91.6Very high0 Ų035.3 Ų35.30%021%0.205CC..EExtended strand (participates in β ladder)trans-138.7146171.400000110I148 V149 A150 L165 F475 I476 E477 A478A128-I148 HydrophobicContact CB-CG2 3.4Å; A128-V149 CarbonylContact C-O 3.53Å; A128-V149 WeakPolarHBondContact CA-O 3.01Å; A128-A150 HydrophobicContact CB-CB 4.02Å; A128-L165 HydrophobicContact CB-CD1 4.01Å; A128-F475 HydrophobicContact CB-CB 4.39Å; A128-F475 HydrophobicContact CB-CD1 4.44Å; A128-I476 PolarHBondContact N-O 3.4Å; A128-E477 CarbonylContact O-C 3.57Å; A128-E477 WeakPolarHBondContact O-CA 3.14Å; A128-A478 PolarHBondContact O-N 2.86Å
129A91.4Very high91.9Very high1 Ų134.7 Ų34.71%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-126.3136.3-178.300000110.7H118 L121 I148 V149 A478H118-A129 WeakPolarHBondContact NE2-CB 3.37Å; L121-A129 HydrophobicContact CD1-CB 3.8Å; L121-A129 HydrophobicContact CD2-CB 4.13Å; L121-A129 HydrophobicContact CG-CB 4.03Å; A129-I148 CarbonylContact O-C 3.47Å; A129-I148 WeakPolarHBondContact O-CA 3.5Å; A129-V149 PolarHBondContact N-O 2.99Å; A129-V149 PolarHBondContact O-N 2.85Å; A129-A478 HydrophobicContact CB-CB 4.49Å
130R91.7Very high92.2Very high96 Ų9632.6 Ų32.636%0.36218%0.18SC..EExtended strand (participates in β ladder)trans-68.9132.9171.3-78.3-175.1-158.5-95.4-5.4110.5I147 I148 T161 E477R130-I147 CarbonylContact C-O 3.59Å; R130-I147 WeakPolarHBondContact CA-O 3.35Å; R130-I148 HydrophobicContact CB-CG1 4.5Å; R130-I148 HydrophobicContact CG-CD1 3.96Å; R130-I148 HydrophobicContact CG-CG1 3.62Å; R130-T161 PolarHBondContact NH2-OG1 2.91Å; R130-E477 WeakPolarHBondContact CD-OE1 3.39Å; R130-E477 VanDerWaalsContact CG-OE1 3.28Å; R130-E477 WeakPolarHBondContact CG-OE1 3.25Å; R130-E477 IonicContact CZ-OE1 2.64Å; R130-E477 IonicContact CZ-OE2 3.48Å; R130-E477 IonicContact NE-OE1 3.12Å; R130-E477 PolarHBondContact NE-OE1 3.07Å; R130-E477 IonicContact NE-OE2 2.83Å; R130-E477 PolarHBondContact NE-OE2 2.89Å; R130-E477 IonicContact NH2-OE1 2.67Å; R130-E477 IonicContact NH2-OE2 3.3Å; R130-E477 PolarHBondContact NH2-OE2 2.79Å
131V93.3Very high92.5Very high12 Ų1230.3 Ų30.37%0.07317%0.172CC..EExtended strand (participates in β ladder)trans-128.8126.8173.7-176.70000107.9I147 V149 Y190 F197V131-I147 HydrophobicContact CB-CD1 4.5Å; V131-I147 HydrophobicContact CB-CG1 4.06Å; V131-I147 PolarHBondContact N-O 3.42Å; V131-I147 WeakPolarHBondContact O-CG1 3.24Å; V131-I147 PolarHBondContact O-N 2.77Å; V131-V149 HydrophobicContact CG2-CG2 4.02Å; V131-Y190 HydrophobicContact CG1-CD2 4.36Å; V131-Y190 HydrophobicContact CG1-CE2 4.03Å; V131-Y190 HydrophobicContact CG2-CE1 4.1Å; V131-Y190 HydrophobicContact CG2-CE2 4.43Å; V131-F197 HydrophobicContact CG1-CE2 3.83Å; V131-F197 HydrophobicContact CG1-CZ 4.23Å
132A95.1Very high92.6Very high75 Ų7531 Ų3162%0.6218%0.175SC*.EExtended strand (participates in β ladder)trans-88.2120.6172.200000109.1R145A132-R145 CarbonylContact C-O 3.56Å; A132-R145 WeakPolarHBondContact CA-O 3.05Å
133L96Very high92.7Very high8 Ų836 Ų364%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-71.8143.9172.2-60.2179.7000110F135 F137 R145 I147 F197L133-F135 WeakPolarHBondContact CB-O 3.12Å; L133-F135 PolarHBondContact O-N 2.83Å; L133-F137 HydrophobicContact CD1-CB 3.74Å; L133-R145 PolarHBondContact N-O 2.84Å; L133-I147 HydrophobicContact CD1-CG2 3.92Å; L133-I147 HydrophobicContact CD2-CD1 3.71Å; L133-I147 HydrophobicContact CD2-CG1 4.15Å; L133-I147 HydrophobicContact CG-CD1 4.25Å; L133-I147 HydrophobicContact CG-CG1 4.21Å; L133-I147 HydrophobicContact CG-CG2 4.29Å; L133-F197 HydrophobicContact CD2-CB 3.73Å; L133-F197 HydrophobicContact CD2-CD1 4.03Å; L133-F197 HydrophobicContact CD2-CD2 3.47Å; L133-F197 VanDerWaalsContact CD2-CD2 3.47Å; L133-F197 HydrophobicContact CD2-CE2 4.07Å; L133-F197 HydrophobicContact CD2-CG 3.45Å; L133-F197 VanDerWaalsContact CD2-CG 3.45Å
134S95.9Very high93Very high62 Ų6232.1 Ų32.143%0.43418%0.181SC..EExtended strand (participates in β ladder)trans-76.3-11.2175.3670000113.7D192 G194S134-D192 WeakPolarHBondContact CB-OD2 3.38Å; S134-D192 PolarHBondContact N-OD2 2.86Å; S134-D192 PolarHBondContact OG-OD1 2.94Å; S134-D192 PolarHBondContact OG-OD2 3.46Å; S134-D192 VanDerWaalsContact OG-OD2 3.09Å; S134-G194 WeakPolarHBondContact OG-CA 3.43Å; S134-G194 PolarHBondContact OG-N 3.32Å
135F96.8Very high93.3Very high15 Ų1536.1 Ų36.17%0.06619%0.191CC..EExtended strand (participates in β ladder)trans-132.6163.8179.962-86.7000112.1L133 F137 G194 F197 S223L133-F135 WeakPolarHBondContact CB-O 3.12Å; L133-F135 PolarHBondContact O-N 2.83Å; F135-F137 HydrophobicContact CD2-CB 4.28Å; F135-F137 HydrophobicContact CE2-CB 3.82Å; F135-F137 HydrophobicContact CE2-CD2 4.07Å; F135-F137 HydrophobicContact CE2-CG 4.39Å; F135-F137 PolarHBondContact O-N 2.98Å; F135-G194 WeakPolarHBondContact CB-O 3.39Å; F135-F197 HydrophobicContact CE1-CB 4.01Å; F135-F197 HydrophobicContact CZ-CB 4.03Å; F135-S223 VanDerWaalsContact CE2-CA 3.49Å
136D95.9Very high93.6Very high66 Ų6639.4 Ų39.435%0.35321%0.206SC..EExtended strand (participates in β ladder)trans-79.3108.5171.8-69.9-58.1000109.4P138 N143 R145D136-P138 WeakPolarHBondContact O-CD 3.47Å; D136-N143 HydrophobicContact CB-CB 4.07Å; D136-R145 WeakPolarHBondContact OD1-CD 3.24Å; D136-R145 WeakPolarHBondContact OD1-CG 3.32Å; D136-R145 IonicContact OD1-CZ 3.52Å; D136-R145 IonicContact OD1-NE 3.47Å; D136-R145 PolarHBondContact OD1-NE 2.97Å; D136-R145 IonicContact OD1-NH2 2.75Å; D136-R145 IonicContact OD2-CZ 3.86Å; D136-R145 IonicContact OD2-NE 3.55Å; D136-R145 PolarHBondContact OD2-NE 2.82Å; D136-R145 IonicContact OD2-NH2 3.52Å; D136-R145 PolarHBondContact OD2-NH2 3.23Å
137F97.4Very high94Very high0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-88.1116.5177.1177-112.5000110.3L133 F135 F139 I144 M157 L221 H222 I227L133-F137 HydrophobicContact CD1-CB 3.74Å; F135-F137 HydrophobicContact CD2-CB 4.28Å; F135-F137 HydrophobicContact CE2-CB 3.82Å; F135-F137 HydrophobicContact CE2-CD2 4.07Å; F135-F137 HydrophobicContact CE2-CG 4.39Å; F135-F137 PolarHBondContact O-N 2.98Å; F137-F139 HydrophobicContact CD1-CB 3.96Å; F137-F139 HydrophobicContact CE1-CB 3.75Å; F137-F139 AromaticContact CE1-CD2 3.85Å; F137-F139 HydrophobicContact CE1-CD2 3.85Å; F137-F139 HydrophobicContact CE1-CG 4.17Å; F137-F139 PolarHBondContact O-N 2.78Å; F137-I144 PolarHBondContact N-O 2.77Å; F137-I144 PolarHBondContact O-N 2.7Å; F137-M157 HydrophobicContact CD1-CE 3.47Å; F137-M157 VanDerWaalsContact CD1-CE 3.47Å; F137-M157 HydrophobicContact CE1-CE 3.64Å; F137-L221 HydrophobicContact CD1-CD1 4.36Å; F137-L221 HydrophobicContact CD2-CB 3.99Å; F137-L221 HydrophobicContact CE1-CD1 4.38Å; F137-L221 HydrophobicContact CE1-CD2 4.24Å; F137-L221 HydrophobicContact CE2-CB 3.85Å; F137-L221 HydrophobicContact CE2-CD2 4.43Å; F137-L221 HydrophobicContact CG-CB 4.47Å; F137-L221 HydrophobicContact CZ-CB 4.22Å; F137-L221 HydrophobicContact CZ-CD2 3.98Å; F137-H222 VanDerWaalsContact CD2-O 3.26Å; F137-H222 WeakPolarHBondContact CD2-O 3.29Å; F137-H222 WeakPolarHBondContact CE2-O 3.49Å; F137-I227 HydrophobicContact CE1-CD1 4.42Å; F137-I227 HydrophobicContact CE2-CG1 4.32Å; F137-I227 HydrophobicContact CZ-CD1 3.86Å; F137-I227 HydrophobicContact CZ-CG1 3.61Å
138P95.8Very high94.3Very high28 Ų2836.6 Ų36.618%0.18220%0.195CC..EExtended strand (participates in β ladder)trans-79.3106.8-179.630.2-31000110.2Y88 D136 H142 S223Y88-P138 PolarHBondContact OH-O 2.93Å; D136-P138 WeakPolarHBondContact O-CD 3.47Å; P138-H142 WeakPolarHBondContact CA-O 3.45Å; P138-S223 WeakPolarHBondContact CD-O 3.23Å
139F95.8Very high94.5Very high0 Ų036.6 Ų36.60%020%0.195CC..EExtended strand (participates in β ladder)trans-116.2116178.1-172.9-111.8000110.1Y88 F137 G141 H142 I144 M157 V171 I227 D254 R333Y88-F139 HydrophobicContact CE2-CD2 4.48Å; Y88-F139 WeakPolarHBondContact OH-CD2 3.41Å; F137-F139 HydrophobicContact CD1-CB 3.96Å; F137-F139 HydrophobicContact CE1-CB 3.75Å; F137-F139 AromaticContact CE1-CD2 3.85Å; F137-F139 HydrophobicContact CE1-CD2 3.85Å; F137-F139 HydrophobicContact CE1-CG 4.17Å; F137-F139 PolarHBondContact O-N 2.78Å; F139-G141 PolarHBondContact O-N 2.63Å; F139-G141 VanDerWaalsContact O-N 3.1Å; F139-H142 PolarHBondContact N-O 3.11Å; F139-H142 PolarHBondContact O-N 3.08Å; F139-I144 HydrophobicContact CB-CG1 3.94Å; F139-M157 HydrophobicContact CB-CE 4.26Å; F139-M157 HydrophobicContact CD1-CB 3.88Å; F139-M157 HydrophobicContact CD1-CG 4.18Å; F139-M157 HydrophobicContact CD2-CE 4.48Å; F139-M157 HydrophobicContact CE1-CB 3.77Å; F139-M157 HydrophobicContact CE1-CG 3.95Å; F139-M157 HydrophobicContact CG-CE 4.19Å; F139-M157 HydrophobicContact CZ-CB 4.42Å; F139-M157 HydrophobicContact CZ-CG 4.11Å; F139-V171 HydrophobicContact CD2-CG2 4.23Å; F139-V171 HydrophobicContact CE2-CG2 3.59Å; F139-V171 HydrophobicContact CZ-CG2 4.04Å; F139-I227 HydrophobicContact CD2-CD1 4.21Å; F139-I227 HydrophobicContact CE2-CD1 4.17Å; F139-D254 HydrophobicContact CE1-CB 4.16Å; F139-R333 VanDerWaalsContact CD1-NH2 3.33Å
140Y93.9Very high94.7Very high3 Ų336.5 Ų36.51%0.01219%0.194CC..THydrogen-bonded Turntrans56.823.5-176.9-77.3-96.3000114.2Y87 Y88 L252 D254 Y276 H277Y87-Y140 AromaticContact CD1-CD1 3.47Å; Y87-Y140 HydrophobicContact CD1-CD1 3.47Å; Y87-Y140 VanDerWaalsContact CD1-CD1 3.47Å; Y87-Y140 HydrophobicContact CD1-CE1 4.19Å; Y87-Y140 HydrophobicContact CD1-CG 4.3Å; Y87-Y140 AromaticContact CD2-CD1 3.7Å; Y87-Y140 HydrophobicContact CD2-CD1 3.7Å; Y87-Y140 AromaticContact CD2-CE1 3.6Å; Y87-Y140 HydrophobicContact CD2-CE1 3.6Å; Y87-Y140 HydrophobicContact CE1-CD1 4.1Å; Y87-Y140 HydrophobicContact CE2-CD1 4.29Å; Y87-Y140 HydrophobicContact CE2-CE1 4.38Å; Y87-Y140 AromaticContact CG-CD1 3.27Å; Y87-Y140 HydrophobicContact CG-CD1 3.27Å; Y87-Y140 AromaticContact CG-CE1 3.5Å; Y87-Y140 HydrophobicContact CG-CE1 3.5Å; Y87-Y140 HydrophobicContact CG-CG 4.34Å; Y88-Y140 HydrophobicContact CD2-CD2 4.49Å; Y88-Y140 HydrophobicContact CD2-CE2 4.1Å; Y88-Y140 AromaticContact CE2-CD2 3.71Å; Y88-Y140 HydrophobicContact CE2-CD2 3.71Å; Y88-Y140 AromaticContact CE2-CE2 3.67Å; Y88-Y140 HydrophobicContact CE2-CE2 3.67Å; Y88-Y140 HydrophobicContact CE2-CG 4.23Å; Y140-L252 HydrophobicContact CE2-CB 4.37Å; Y140-D254 WeakPolarHBondContact CB-OD2 3.33Å; Y140-D254 HydrophobicContact CD1-CB 3.94Å; Y140-D254 HydrophobicContact CD2-CB 3.61Å; Y140-D254 HydrophobicContact CE1-CB 4.15Å; Y140-D254 HydrophobicContact CE2-CB 3.8Å; Y140-D254 HydrophobicContact CG-CB 3.68Å; Y140-Y276 HydrophobicContact CD1-CE2 4.01Å; Y140-Y276 HydrophobicContact CE1-CE2 4.45Å; Y140-H277 HydrophobicContact CD1-CB 4.5Å; Y140-H277 HydrophobicContact CE1-CB 3.66Å; Y140-H277 AromaticContact CE1-CG 3.67Å; Y140-H277 AromaticContact CE1-ND1 3.29Å; Y140-H277 VanDerWaalsContact CE1-ND1 3.29Å; Y140-H277 WeakPolarHBondContact CE1-ND1 3.48Å; Y140-H277 AromaticContact CZ-ND1 3.54Å; Y140-H277 PolarHBondContact OH-ND1 2.88Å
141G91.4Very high94.8Very high15 Ų1532 Ų3216%0.15518%0.177CC..THydrogen-bonded Turntrans91-3.4-175.500000114.8F139 T299F139-G141 PolarHBondContact O-N 2.63Å; F139-G141 VanDerWaalsContact O-N 3.1Å; G141-T299 VanDerWaalsContact CA-OG1 3.3Å; G141-T299 WeakPolarHBondContact CA-OG1 3.49Å
142H93.1Very high94.7Very high16 Ų1631.4 Ų31.47%0.07417%0.174CC..EExtended strand (participates in β ladder)trans-101.5135.1175.7-58.6-75.5000110.8P138 F139 I144 L301 D332 R333 H334P138-H142 WeakPolarHBondContact CA-O 3.45Å; F139-H142 PolarHBondContact N-O 3.11Å; F139-H142 PolarHBondContact O-N 3.08Å; H142-I144 HydrophobicContact CB-CD1 4.14Å; H142-I144 PolarHBondContact O-N 3.45Å; H142-L301 WeakPolarHBondContact CE1-CD1 3.33Å; H142-L301 WeakPolarHBondContact NE2-CD1 3.23Å; H142-D332 IonicContact CE1-OD1 3.66Å; H142-D332 PolarHBondContact CE1-OD1 3.4Å; H142-D332 IonicContact NE2-OD1 2.8Å; H142-R333 VanDerWaalsContact CD2-CD 3.46Å; H142-R333 WeakPolarHBondContact CD2-CD 3.05Å; H142-R333 WeakPolarHBondContact NE2-CG 3.37Å; H142-R333 PolarHBondContact NE2-N 3.47Å; H142-H334 AromaticContact CE1-CE1 3.64Å; H142-H334 AromaticContact CE1-ND1 3.41Å; H142-H334 PolarHBondContact CE1-ND1 2.75Å; H142-H334 AromaticContact ND1-CE1 3.5Å; H142-H334 PolarHBondContact ND1-CE1 3.14Å; H142-H334 AromaticContact ND1-ND1 3.75Å
143N94.1Very high94.8Very high109 Ų10927.9 Ų27.958%0.58314%0.144SC*.EExtended strand (participates in β ladder)trans-81.4118175.8-69.9-11.6000110D136D136-N143 HydrophobicContact CB-CB 4.07Å
144I94Very high94.8Very high18 Ų1827.5 Ų27.59%0.09214%0.142CC..EExtended strand (participates in β ladder)trans-109.9128.3-177.6-50.3-57000109.5F137 F139 H142 Q146 I147 M157 R333F137-I144 PolarHBondContact N-O 2.77Å; F137-I144 PolarHBondContact O-N 2.7Å; F139-I144 HydrophobicContact CB-CG1 3.94Å; H142-I144 HydrophobicContact CB-CD1 4.14Å; H142-I144 PolarHBondContact O-N 3.45Å; I144-Q146 WeakPolarHBondContact CG2-O 3.48Å; I144-I147 HydrophobicContact CG2-CG2 3.88Å; I144-M157 HydrophobicContact CB-CE 4.31Å; I144-M157 HydrophobicContact CG1-CE 4.4Å; I144-M157 HydrophobicContact CG2-CE 4.16Å; I144-R333 VanDerWaalsContact CD1-NH1 3.29Å
145R94.4Very high94.8Very high124 Ų12424.5 Ų24.547%0.46812%0.122SC..EExtended strand (participates in β ladder)trans-112.8-25.8172.1-75.4-170.7173.8-112.7-4.1113.9A132 L133 D136A132-R145 CarbonylContact C-O 3.56Å; A132-R145 WeakPolarHBondContact CA-O 3.05Å; L133-R145 PolarHBondContact N-O 2.84Å; D136-R145 WeakPolarHBondContact OD1-CD 3.24Å; D136-R145 WeakPolarHBondContact OD1-CG 3.32Å; D136-R145 IonicContact OD1-CZ 3.52Å; D136-R145 IonicContact OD1-NE 3.47Å; D136-R145 PolarHBondContact OD1-NE 2.97Å; D136-R145 IonicContact OD1-NH2 2.75Å; D136-R145 IonicContact OD2-CZ 3.86Å; D136-R145 IonicContact OD2-NE 3.55Å; D136-R145 PolarHBondContact OD2-NE 2.82Å; D136-R145 IonicContact OD2-NH2 3.52Å; D136-R145 PolarHBondContact OD2-NH2 3.23Å
146Q94.1Very high94.7Very high116 Ų11623.8 Ų23.854%0.54212%0.119SC..EExtended strand (participates in β ladder)trans-110.2121179.6-67.3-171.8-19.200108.8I144I144-Q146 WeakPolarHBondContact CG2-O 3.48Å
147I95.1Very high94.6Very high1 Ų120.7 Ų20.71%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-122.8161.9177.461.8164.7000109.7R130 V131 L133 I144 V149 I155 M157 F197 L221R130-I147 CarbonylContact C-O 3.59Å; R130-I147 WeakPolarHBondContact CA-O 3.35Å; V131-I147 HydrophobicContact CB-CD1 4.5Å; V131-I147 HydrophobicContact CB-CG1 4.06Å; V131-I147 PolarHBondContact N-O 3.42Å; V131-I147 WeakPolarHBondContact O-CG1 3.24Å; V131-I147 PolarHBondContact O-N 2.77Å; L133-I147 HydrophobicContact CD1-CG2 3.92Å; L133-I147 HydrophobicContact CD2-CD1 3.71Å; L133-I147 HydrophobicContact CD2-CG1 4.15Å; L133-I147 HydrophobicContact CG-CD1 4.25Å; L133-I147 HydrophobicContact CG-CG1 4.21Å; L133-I147 HydrophobicContact CG-CG2 4.29Å; I144-I147 HydrophobicContact CG2-CG2 3.88Å; I147-V149 HydrophobicContact CD1-CG2 4.34Å; I147-I155 HydrophobicContact CB-CG2 3.8Å; I147-I155 HydrophobicContact CD1-CG2 3.85Å; I147-I155 HydrophobicContact CG1-CG2 4.29Å; I147-I155 HydrophobicContact CG2-CG2 4.41Å; I147-M157 HydrophobicContact CB-SD 4.37Å; I147-M157 HydrophobicContact CG2-CE 3.79Å; I147-M157 HydrophobicContact CG2-SD 3.7Å; I147-F197 HydrophobicContact CD1-CD1 4Å; I147-F197 HydrophobicContact CD1-CE1 3.49Å; I147-F197 VanDerWaalsContact CD1-CE1 3.49Å; I147-F197 HydrophobicContact CD1-CE2 4.37Å; I147-F197 HydrophobicContact CD1-CZ 3.71Å; I147-L221 HydrophobicContact CD1-CD1 4.46Å
148I94.2Very high94.1Very high3 Ų320.9 Ų20.92%0.01510%0.104CC..EExtended strand (participates in β ladder)trans-123.9115.2177.1-68.5175.2000109.2A128 A129 R130 I155 F156 T161 L165A128-I148 HydrophobicContact CB-CG2 3.4Å; A129-I148 CarbonylContact O-C 3.47Å; A129-I148 WeakPolarHBondContact O-CA 3.5Å; R130-I148 HydrophobicContact CB-CG1 4.5Å; R130-I148 HydrophobicContact CG-CD1 3.96Å; R130-I148 HydrophobicContact CG-CG1 3.62Å; I148-I155 CarbonylContact O-C 3.59Å; I148-I155 WeakPolarHBondContact O-CA 3.17Å; I148-F156 HydrophobicContact CB-CB 4.11Å; I148-F156 HydrophobicContact CB-CD1 4.3Å; I148-F156 HydrophobicContact CD1-CD1 4.08Å; I148-F156 HydrophobicContact CG2-CB 4.49Å; I148-F156 PolarHBondContact N-O 2.87Å; I148-F156 PolarHBondContact O-N 3.32Å; I148-T161 HydrophobicContact CD1-CG2 3.09Å; I148-L165 HydrophobicContact CG2-CD1 4.13Å
149V95.6Very high93.2Very high0 Ų026.9 Ų26.90%013%0.129CC..EExtended strand (participates in β ladder)trans-89.8122.8178.31780000109L121 A128 A129 V131 I147 V188 F197 V199 W201L121-V149 HydrophobicContact CD1-CB 4.18Å; L121-V149 HydrophobicContact CD1-CG1 4Å; A128-V149 CarbonylContact C-O 3.53Å; A128-V149 WeakPolarHBondContact CA-O 3.01Å; A129-V149 PolarHBondContact N-O 2.99Å; A129-V149 PolarHBondContact O-N 2.85Å; V131-V149 HydrophobicContact CG2-CG2 4.02Å; I147-V149 HydrophobicContact CD1-CG2 4.34Å; V149-V188 HydrophobicContact CG1-CG1 4.13Å; V149-F197 HydrophobicContact CG2-CZ 4.32Å; V149-V199 HydrophobicContact CG1-CG2 3.74Å; V149-W201 HydrophobicContact CG1-CZ2 3.98Å
150A94.4Very high92.1Very high0 Ų030.2 Ų30.20%015%0.146CC..EExtended strand (participates in β ladder)trans-104.1149.7-17900000112.4Q127 A128 G152 G153 F154 W201 F475Q127-A150 WeakPolarHBondContact O-CA 3.35Å; A128-A150 HydrophobicContact CB-CB 4.02Å; A150-G152 PolarHBondContact O-N 3.18Å; A150-G153 PolarHBondContact O-N 2.86Å; A150-F154 HydrophobicContact CB-CD1 3.84Å; A150-F154 HydrophobicContact CB-CD2 4.35Å; A150-F154 HydrophobicContact CB-CE1 3.45Å; A150-F154 VanDerWaalsContact CB-CE1 3.45Å; A150-F154 HydrophobicContact CB-CE2 4.01Å; A150-F154 HydrophobicContact CB-CG 4.28Å; A150-F154 HydrophobicContact CB-CZ 3.54Å; A150-F154 PolarHBondContact N-O 2.79Å; A150-W201 PolarHBondContact O-NE1 3.1Å; A150-F475 HydrophobicContact CB-CD1 4.05Å; A150-F475 HydrophobicContact CB-CE1 3.92Å
151T93.8Very high90.9Very high0 Ų032.6 Ų32.60%016%0.161CC..THydrogen-bonded Turntrans-64.4-23.2175.258.30000112.9L121 T124 R126 Q127 G153 F178 P180L121-T151 HydrophobicContact CB-CG2 3.94Å; L121-T151 HydrophobicContact CD2-CG2 3.68Å; L121-T151 HydrophobicContact CG-CG2 4.41Å; L121-T151 VanDerWaalsContact O-CG2 3.3Å; L121-T151 WeakPolarHBondContact O-CG2 3.32Å; T124-T151 WeakPolarHBondContact O-CG2 3.36Å; R126-T151 PolarHBondContact N-OG1 3.41Å; Q127-T151 HydrophobicContact CB-CG2 4.13Å; Q127-T151 PolarHBondContact N-OG1 2.86Å; Q127-T151 WeakPolarHBondContact O-CG2 3.34Å; Q127-T151 PolarHBondContact O-N 2.98Å; Q127-T151 PolarHBondContact O-OG1 2.89Å; T151-G153 PolarHBondContact O-N 2.97Å; T151-G153 VanDerWaalsContact O-N 3.14Å; T151-F178 WeakPolarHBondContact O-CB 3.5Å; T151-P180 HydrophobicContact CG2-CG 4.29Å
152G92.9Very high89.7Confident1 Ų133.9 Ų33.91%0.0116%0.163CC..THydrogen-bonded Turntrans-74.913.3179.300000115.6A150 M175 A176A150-G152 PolarHBondContact O-N 3.18Å; G152-M175 CarbonylContact O-C 3.39Å; G152-M175 VanDerWaalsContact O-CA 3.27Å; G152-M175 WeakPolarHBondContact O-CA 3.13Å; G152-A176 WeakPolarHBondContact CA-O 3.48Å; G152-A176 PolarHBondContact O-N 3.48Å
153G95.4Very high88.3Confident0 Ų043.6 Ų43.60%020%0.199CC..THydrogen-bonded Turntrans83.226.6173.100000115.8A150 T151 P173 L174A150-G153 PolarHBondContact O-N 2.86Å; T151-G153 PolarHBondContact O-N 2.97Å; T151-G153 VanDerWaalsContact O-N 3.14Å; G153-P173 WeakPolarHBondContact O-CD 3.01Å; G153-P173 WeakPolarHBondContact O-CG 3.2Å; G153-L174 CarbonylContact C-O 3.59Å; G153-L174 VanDerWaalsContact CA-O 3.29Å; G153-L174 WeakPolarHBondContact CA-O 3.29Å; G153-L174 CarbonylContact O-C 3.57Å; G153-L174 VanDerWaalsContact O-C 3.3Å; G153-L174 PolarHBondContact O-N 2.83Å; G153-L174 VanDerWaalsContact O-O 3.07Å
154F96.4Very high86.8Confident0 Ų040.4 Ų40.40%018%0.181CC..EExtended strand (participates in β ladder)trans-143.4163.9178.672.5-82.8000112.5A150 F156 L165 T166 V171 A172 M175 F475A150-F154 HydrophobicContact CB-CD1 3.84Å; A150-F154 HydrophobicContact CB-CD2 4.35Å; A150-F154 HydrophobicContact CB-CE1 3.45Å; A150-F154 VanDerWaalsContact CB-CE1 3.45Å; A150-F154 HydrophobicContact CB-CE2 4.01Å; A150-F154 HydrophobicContact CB-CG 4.28Å; A150-F154 HydrophobicContact CB-CZ 3.54Å; A150-F154 PolarHBondContact N-O 2.79Å; F154-F156 HydrophobicContact CE2-CB 4.21Å; F154-L165 HydrophobicContact CE2-CB 4.28Å; F154-L165 WeakPolarHBondContact CE2-O 3.18Å; F154-L165 HydrophobicContact CZ-CB 4.29Å; F154-T166 HydrophobicContact CE1-CG2 3.77Å; F154-T166 HydrophobicContact CZ-CG2 3.65Å; F154-V171 WeakPolarHBondContact CA-O 3.17Å; F154-A172 HydrophobicContact CB-CB 3.9Å; F154-M175 HydrophobicContact CB-CB 4.24Å; F154-M175 HydrophobicContact CB-CE 3.69Å; F154-M175 HydrophobicContact CB-CG 4.46Å; F154-M175 HydrophobicContact CD1-CB 4.33Å; F154-M175 HydrophobicContact CD1-CE 3.56Å; F154-M175 HydrophobicContact CD1-CG 3.73Å; F154-M175 HydrophobicContact CD1-SD 4.31Å; F154-M175 HydrophobicContact CD2-CE 3.42Å; F154-M175 VanDerWaalsContact CD2-CE 3.42Å; F154-M175 HydrophobicContact CE1-CE 3.96Å; F154-M175 HydrophobicContact CE1-CG 4.25Å; F154-M175 HydrophobicContact CE2-CE 3.83Å; F154-M175 HydrophobicContact CG-CE 3.26Å; F154-M175 HydrophobicContact CG-CG 4.26Å; F154-M175 HydrophobicContact CZ-CE 4.09Å; F154-F475 HydrophobicContact CE1-CE1 4.22Å; F154-F475 AromaticContact CE1-CE2 3.86Å; F154-F475 HydrophobicContact CE1-CE2 3.86Å; F154-F475 AromaticContact CE1-CZ 3.68Å; F154-F475 HydrophobicContact CE1-CZ 3.68Å; F154-F475 HydrophobicContact CZ-CD2 4.25Å; F154-F475 HydrophobicContact CZ-CE2 4.01Å; F154-F475 HydrophobicContact CZ-CZ 4.2Å
155I96.6Very high85.6Confident0 Ų039.9 Ų39.90%018%0.178CC..EExtended strand (participates in β ladder)trans-114.1124.8173.2-46.9173.9000107.4I147 I148 M157 Y170 V171 F197 V199 W201 A219 L221I147-I155 HydrophobicContact CB-CG2 3.8Å; I147-I155 HydrophobicContact CD1-CG2 3.85Å; I147-I155 HydrophobicContact CG1-CG2 4.29Å; I147-I155 HydrophobicContact CG2-CG2 4.41Å; I148-I155 CarbonylContact O-C 3.59Å; I148-I155 WeakPolarHBondContact O-CA 3.17Å; I155-M157 HydrophobicContact CB-SD 4.31Å; I155-M157 HydrophobicContact CG2-SD 3.69Å; I155-Y170 CarbonylContact O-C 3.3Å; I155-Y170 VanDerWaalsContact O-CA 3.29Å; I155-Y170 WeakPolarHBondContact O-CA 3.5Å; I155-V171 HydrophobicContact CB-CB 4.32Å; I155-V171 PolarHBondContact N-O 2.64Å; I155-V171 PolarHBondContact O-N 3.15Å; I155-F197 HydrophobicContact CD1-CE1 4.43Å; I155-V199 HydrophobicContact CD1-CG1 3.62Å; I155-V199 HydrophobicContact CG1-CG1 4.05Å; I155-W201 HydrophobicContact CG1-CH2 4.07Å; I155-A219 HydrophobicContact CD1-CB 4.3Å; I155-L221 HydrophobicContact CD1-CD1 4.11Å; I155-L221 HydrophobicContact CD1-CG 4.42Å
156F94.8Very high84.2Confident0 Ų034.2 Ų34.20%016%0.158CC..EExtended strand (participates in β ladder)trans-86.3129.4169.9177-100000109.7I148 F154 G158 H162 L165 T168 Q169I148-F156 HydrophobicContact CB-CB 4.11Å; I148-F156 HydrophobicContact CB-CD1 4.3Å; I148-F156 HydrophobicContact CD1-CD1 4.08Å; I148-F156 HydrophobicContact CG2-CB 4.49Å; I148-F156 PolarHBondContact N-O 2.87Å; I148-F156 PolarHBondContact O-N 3.32Å; F154-F156 HydrophobicContact CE2-CB 4.21Å; F156-G158 VanDerWaalsContact CE1-CA 3.43Å; F156-G158 WeakPolarHBondContact CE1-O 3.29Å; F156-G158 VanDerWaalsContact CZ-CA 3.49Å; F156-H162 AromaticContact CE2-CE1 3.49Å; F156-H162 VanDerWaalsContact CE2-CE1 3.49Å; F156-H162 WeakPolarHBondContact CE2-CE1 3.34Å; F156-H162 AromaticContact CZ-CE1 3.45Å; F156-H162 VanDerWaalsContact CZ-CE1 3.45Å; F156-H162 WeakPolarHBondContact CZ-CE1 3.5Å; F156-H162 AromaticContact CZ-ND1 3.75Å; F156-L165 HydrophobicContact CB-CB 4.46Å; F156-L165 HydrophobicContact CD1-CD2 3.82Å; F156-L165 HydrophobicContact CD2-CB 4.25Å; F156-L165 HydrophobicContact CD2-CD2 4.17Å; F156-L165 WeakPolarHBondContact CD2-O 3.38Å; F156-L165 HydrophobicContact CE1-CD2 3.82Å; F156-L165 HydrophobicContact CE2-CD2 4.21Å; F156-L165 HydrophobicContact CG-CB 4.33Å; F156-L165 HydrophobicContact CG-CD2 3.97Å; F156-L165 HydrophobicContact CZ-CD2 4.03Å; F156-T168 WeakPolarHBondContact CD2-O 3.34Å; F156-T168 VanDerWaalsContact CE2-O 3.26Å; F156-T168 WeakPolarHBondContact CE2-O 3.29Å; F156-Q169 HydrophobicContact CD2-CB 4.48Å; F156-Q169 WeakPolarHBondContact CD2-O 3.32Å; F156-Q169 HydrophobicContact CE2-CB 3.99Å
157M94.2Very high82.9Confident1 Ų129.2 Ų29.21%0.00514%0.136CC..  trans-109.82.3-172.2-56.3-59.1-69.700112.8F137 F139 I144 I147 I155 Q169 V171 R333F137-M157 HydrophobicContact CD1-CE 3.47Å; F137-M157 VanDerWaalsContact CD1-CE 3.47Å; F137-M157 HydrophobicContact CE1-CE 3.64Å; F139-M157 HydrophobicContact CB-CE 4.26Å; F139-M157 HydrophobicContact CD1-CB 3.88Å; F139-M157 HydrophobicContact CD1-CG 4.18Å; F139-M157 HydrophobicContact CD2-CE 4.48Å; F139-M157 HydrophobicContact CE1-CB 3.77Å; F139-M157 HydrophobicContact CE1-CG 3.95Å; F139-M157 HydrophobicContact CG-CE 4.19Å; F139-M157 HydrophobicContact CZ-CB 4.42Å; F139-M157 HydrophobicContact CZ-CG 4.11Å; I144-M157 HydrophobicContact CB-CE 4.31Å; I144-M157 HydrophobicContact CG1-CE 4.4Å; I144-M157 HydrophobicContact CG2-CE 4.16Å; I147-M157 HydrophobicContact CB-SD 4.37Å; I147-M157 HydrophobicContact CG2-CE 3.79Å; I147-M157 HydrophobicContact CG2-SD 3.7Å; I155-M157 HydrophobicContact CB-SD 4.31Å; I155-M157 HydrophobicContact CG2-SD 3.69Å; M157-Q169 PolarHBondContact N-O 3.29Å; M157-V171 HydrophobicContact CG-CB 4.49Å; M157-V171 HydrophobicContact CG-CG2 3.72Å; M157-V171 HydrophobicContact SD-CG2 3.98Å; M157-R333 PolarHBondContact O-NH1 3.29Å; M157-R333 PolarHBondContact O-NH2 3.12Å
158G86.4Confident82.1Confident3 Ų329.1 Ų29.13%0.03114%0.136CC..  trans-78.3149177.300000112.2F156 Q169F156-G158 VanDerWaalsContact CE1-CA 3.43Å; F156-G158 WeakPolarHBondContact CE1-O 3.29Å; F156-G158 VanDerWaalsContact CZ-CA 3.49Å; G158-Q169 VanDerWaalsContact CA-OE1 3.27Å
159E76.3Confident82Confident155 Ų15529.3 Ų29.372%0.72414%0.136SC*.SBendtrans-75.6-41.3177.5-174.9177.4-16700111.7
160I72.9Confident81.9Confident69 Ų6929.4 Ų29.435%0.35414%0.137SC..SBendtrans-92.6114-178.3-59.7173.4000109.2H162 M257I160-H162 PolarHBondContact O-N 3.27Å; I160-H162 PolarHBondContact O-ND1 3.14Å; I160-M257 HydrophobicContact CB-CE 3.95Å; I160-M257 HydrophobicContact CB-SD 4.28Å; I160-M257 HydrophobicContact CD1-CE 3.72Å; I160-M257 HydrophobicContact CD1-SD 4.17Å; I160-M257 HydrophobicContact CG1-CE 4.13Å
161T68Low82.1Confident53 Ų5329.4 Ų29.433%0.32514%0.137SC..  trans-67.7129.9168.441.50000110.4R130 I148 L165R130-T161 PolarHBondContact NH2-OG1 2.91Å; I148-T161 HydrophobicContact CD1-CG2 3.09Å; T161-L165 HydrophobicContact CG2-CD2 4.2Å
162H67Low82.2Confident42 Ų4229.4 Ų29.419%0.19414%0.137CC..  trans-130.4165.9174.154.1-79.7000108.1F156 I160 M164 L165 I273F156-H162 AromaticContact CE2-CE1 3.49Å; F156-H162 VanDerWaalsContact CE2-CE1 3.49Å; F156-H162 WeakPolarHBondContact CE2-CE1 3.34Å; F156-H162 AromaticContact CZ-CE1 3.45Å; F156-H162 VanDerWaalsContact CZ-CE1 3.45Å; F156-H162 WeakPolarHBondContact CZ-CE1 3.5Å; F156-H162 AromaticContact CZ-ND1 3.75Å; I160-H162 PolarHBondContact O-N 3.27Å; I160-H162 PolarHBondContact O-ND1 3.14Å; H162-M164 PolarHBondContact CD2-O 2.87Å; H162-M164 PolarHBondContact NE2-O 3.45Å; H162-M164 PolarHBondContact O-N 3.25Å; H162-L165 WeakPolarHBondContact O-CD2 3.4Å; H162-I273 WeakPolarHBondContact NE2-CD1 3.44Å
163R64.4Low82.4Confident221 Ų22129.3 Ų29.383%0.83414%0.136SC*.SBendtrans-59.6-18.7-176.4-71.7-178.1169.6-176.4-3.9113.8G474R163-G474 WeakPolarHBondContact O-CA 3.21Å
164M62.7Low82.5Confident42 Ų4229.3 Ų29.321%0.20714%0.136CC..  trans-115.558.4-171.9-52.7-179.5163.600111.9H162 T166 A167 L467 E471H162-M164 PolarHBondContact CD2-O 2.87Å; H162-M164 PolarHBondContact NE2-O 3.45Å; H162-M164 PolarHBondContact O-N 3.25Å; M164-T166 PolarHBondContact O-N 2.93Å; M164-A167 HydrophobicContact CB-CB 3.76Å; M164-A167 VanDerWaalsContact O-CB 3.29Å; M164-A167 WeakPolarHBondContact O-CB 3.4Å; M164-A167 PolarHBondContact O-N 3.31Å; M164-L467 HydrophobicContact CE-CB 4.18Å; M164-L467 HydrophobicContact CE-CD2 3.76Å; M164-L467 HydrophobicContact SD-CD2 3.32Å; M164-L467 WeakPolarHBondContact SD-CD2 3.38Å; M164-E471 VanDerWaalsContact CB-OE2 3.28Å; M164-E471 WeakPolarHBondContact CB-OE2 3.31Å; M164-E471 WeakPolarHBondContact CG-OE2 3.5Å
165L68.8Low82.4Confident6 Ų629.3 Ų29.33%0.03114%0.136CC..THydrogen-bonded Turntrans-56.8-19.8179.2-58.7-177.3000113.6A128 I148 F154 F156 T161 H162 F475A128-L165 HydrophobicContact CB-CD1 4.01Å; I148-L165 HydrophobicContact CG2-CD1 4.13Å; F154-L165 HydrophobicContact CE2-CB 4.28Å; F154-L165 WeakPolarHBondContact CE2-O 3.18Å; F154-L165 HydrophobicContact CZ-CB 4.29Å; F156-L165 HydrophobicContact CB-CB 4.46Å; F156-L165 HydrophobicContact CD1-CD2 3.82Å; F156-L165 HydrophobicContact CD2-CB 4.25Å; F156-L165 HydrophobicContact CD2-CD2 4.17Å; F156-L165 WeakPolarHBondContact CD2-O 3.38Å; F156-L165 HydrophobicContact CE1-CD2 3.82Å; F156-L165 HydrophobicContact CE2-CD2 4.21Å; F156-L165 HydrophobicContact CG-CB 4.33Å; F156-L165 HydrophobicContact CG-CD2 3.97Å; F156-L165 HydrophobicContact CZ-CD2 4.03Å; T161-L165 HydrophobicContact CG2-CD2 4.2Å; H162-L165 WeakPolarHBondContact O-CD2 3.4Å; L165-F475 HydrophobicContact CD1-CB 3.93Å
166T63.6Low82.3Confident5 Ų529.3 Ų29.33%0.03114%0.136CC..THydrogen-bonded Turntrans-81.2-16.3176.738.10000114.3F154 M164 M175 P247 K249 E471 F475F154-T166 HydrophobicContact CE1-CG2 3.77Å; F154-T166 HydrophobicContact CZ-CG2 3.65Å; M164-T166 PolarHBondContact O-N 2.93Å; T166-M175 HydrophobicContact CG2-CE 4.34Å; T166-M175 HydrophobicContact CG2-SD 3.91Å; T166-P247 HydrophobicContact CG2-CG 4.23Å; T166-K249 PolarHBondContact O-NZ 2.81Å; T166-E471 PolarHBondContact OG1-OE1 3.5Å; T166-F475 HydrophobicContact CG2-CD2 4.01Å; T166-F475 HydrophobicContact CG2-CE2 3.43Å; T166-F475 VanDerWaalsContact CG2-CE2 3.43Å; T166-F475 HydrophobicContact CG2-CZ 4.37Å
167A68.3Low82.3Confident11 Ų1130 Ų309%0.09114%0.14CC..THydrogen-bonded Turntrans-76-46.3-171.400000111.4M164 K249 V465M164-A167 HydrophobicContact CB-CB 3.76Å; M164-A167 VanDerWaalsContact O-CB 3.29Å; M164-A167 WeakPolarHBondContact O-CB 3.4Å; M164-A167 PolarHBondContact O-N 3.31Å; A167-K249 PolarHBondContact O-NZ 3.05Å; A167-V465 HydrophobicContact CB-CG1 4.14Å
168T78.4Confident82.3Confident0 Ų030 Ų300%014%0.14CC..SBendtrans-148.6164.9-169.3610000113F156 A255 I273 V465F156-T168 WeakPolarHBondContact CD2-O 3.34Å; F156-T168 VanDerWaalsContact CE2-O 3.26Å; F156-T168 WeakPolarHBondContact CE2-O 3.29Å; T168-A255 HydrophobicContact CG2-CB 3.97Å; T168-I273 HydrophobicContact CG2-CB 4.35Å; T168-I273 HydrophobicContact CG2-CG2 3.58Å; T168-V465 HydrophobicContact CG2-CB 4.19Å; T168-V465 HydrophobicContact CG2-CG1 4.12Å; T168-V465 HydrophobicContact CG2-CG2 3.54Å
169Q90.9Very high82.7Confident6 Ų630.3 Ų30.33%0.02814%0.141CC..SBendtrans59.258.8171.9-48-169.2-68.400114F156 M157 G158 S253 D254 A255F156-Q169 HydrophobicContact CD2-CB 4.48Å; F156-Q169 WeakPolarHBondContact CD2-O 3.32Å; F156-Q169 HydrophobicContact CE2-CB 3.99Å; M157-Q169 PolarHBondContact N-O 3.29Å; G158-Q169 VanDerWaalsContact CA-OE1 3.27Å; Q169-S253 CarbonylContact C-O 3.55Å; Q169-S253 WeakPolarHBondContact CA-O 3.49Å; Q169-D254 WeakPolarHBondContact CG-OD1 3.34Å; Q169-D254 PolarHBondContact NE2-OD1 3.42Å; Q169-D254 VanDerWaalsContact NE2-OD1 3.16Å; Q169-A255 HydrophobicContact CG-CB 3.87Å; Q169-A255 PolarHBondContact NE2-O 2.97Å
170Y94.1Very high83.5Confident2 Ų223 Ų231%0.00811%0.106CC..EExtended strand (participates in β ladder)trans-129.4155-174.863.4-104.3000113.9I155 A172 M175 K249 L252 S253I155-Y170 CarbonylContact O-C 3.3Å; I155-Y170 VanDerWaalsContact O-CA 3.29Å; I155-Y170 WeakPolarHBondContact O-CA 3.5Å; Y170-A172 HydrophobicContact CD2-CB 3.44Å; Y170-A172 VanDerWaalsContact CD2-CB 3.44Å; Y170-A172 HydrophobicContact CE2-CB 3.77Å; Y170-A172 HydrophobicContact CG-CB 4.4Å; Y170-M175 HydrophobicContact CD1-CE 4.08Å; Y170-M175 HydrophobicContact CD2-CE 4.37Å; Y170-M175 HydrophobicContact CG-CE 3.94Å; Y170-K249 HydrophobicContact CE1-CD 3.85Å; Y170-L252 WeakPolarHBondContact O-CA 3.41Å; Y170-S253 VanDerWaalsContact CZ-CB 3.42Å; Y170-S253 PolarHBondContact N-O 2.91Å; Y170-S253 PolarHBondContact O-N 3.17Å
171V97.6Very high84.4Confident0 Ų022.3 Ų22.30%011%0.108CC..EExtended strand (participates in β ladder)trans-112.1108.1158.9176.50000106.9F139 F154 I155 M157 P173 L221 I227 F229 L252F139-V171 HydrophobicContact CD2-CG2 4.23Å; F139-V171 HydrophobicContact CE2-CG2 3.59Å; F139-V171 HydrophobicContact CZ-CG2 4.04Å; F154-V171 WeakPolarHBondContact CA-O 3.17Å; I155-V171 HydrophobicContact CB-CB 4.32Å; I155-V171 PolarHBondContact N-O 2.64Å; I155-V171 PolarHBondContact O-N 3.15Å; M157-V171 HydrophobicContact CG-CB 4.49Å; M157-V171 HydrophobicContact CG-CG2 3.72Å; M157-V171 HydrophobicContact SD-CG2 3.98Å; V171-P173 WeakPolarHBondContact O-CD 3.39Å; V171-L221 HydrophobicContact CG1-CD2 4.23Å; V171-I227 HydrophobicContact CG1-CD1 4.49Å; V171-I227 HydrophobicContact CG1-CG2 3.85Å; V171-I227 HydrophobicContact CG2-CD1 4.05Å; V171-F229 HydrophobicContact CG1-CE1 3.54Å; V171-F229 HydrophobicContact CG1-CZ 3.88Å; V171-L252 HydrophobicContact CB-CD2 4.21Å; V171-L252 HydrophobicContact CG1-CD2 3.92Å; V171-L252 HydrophobicContact CG2-CD2 3.99Å
172A96.8Very high85.5Confident0 Ų023.6 Ų23.60%011%0.109CC..EExtended strand (participates in β ladder)trans-119.592.6-172.300000110.5F154 Y170 L174 M175 F229 V250 G251F154-A172 HydrophobicContact CB-CB 3.9Å; Y170-A172 HydrophobicContact CD2-CB 3.44Å; Y170-A172 VanDerWaalsContact CD2-CB 3.44Å; Y170-A172 HydrophobicContact CE2-CB 3.77Å; Y170-A172 HydrophobicContact CG-CB 4.4Å; A172-L174 VanDerWaalsContact C-N 3.28Å; A172-M175 HydrophobicContact CB-CB 3.94Å; A172-M175 HydrophobicContact CB-CE 4.35Å; A172-F229 WeakPolarHBondContact O-CE2 3.27Å; A172-V250 WeakPolarHBondContact O-CA 3.46Å; A172-G251 PolarHBondContact N-O 3.13Å; A172-G251 PolarHBondContact O-N 3Å
173P97.1Very high86.6Confident0 Ų022.2 Ų22.20%011%0.105CC..EExtended strand (participates in β ladder)trans-61.5-38.5167.927.3-36.6000111.2G153 V171 W201 F217 A219 F229 Y231 V250G153-P173 WeakPolarHBondContact O-CD 3.01Å; G153-P173 WeakPolarHBondContact O-CG 3.2Å; V171-P173 WeakPolarHBondContact O-CD 3.39Å; P173-W201 HydrophobicContact CG-CE3 4.4Å; P173-W201 HydrophobicContact CG-CH2 4.21Å; P173-W201 HydrophobicContact CG-CZ3 3.69Å; P173-F217 HydrophobicContact CB-CD2 4.02Å; P173-F217 HydrophobicContact CB-CE2 4.43Å; P173-F217 HydrophobicContact CG-CD2 3.91Å; P173-F217 HydrophobicContact CG-CE2 3.92Å; P173-A219 HydrophobicContact CB-CB 4.25Å; P173-A219 HydrophobicContact CG-CB 3.82Å; P173-F229 HydrophobicContact CB-CB 4.15Å; P173-F229 HydrophobicContact CB-CD1 3.69Å; P173-F229 HydrophobicContact CB-CD2 4.23Å; P173-F229 HydrophobicContact CB-CE1 4.12Å; P173-F229 HydrophobicContact CB-CG 3.77Å; P173-Y231 VanDerWaalsContact O-CE1 3.29Å; P173-Y231 WeakPolarHBondContact O-CE1 3.44Å; P173-Y231 VanDerWaalsContact O-CZ 3.29Å; P173-Y231 PolarHBondContact O-OH 3.5Å; P173-V250 WeakPolarHBondContact O-CG1 3.36Å
174L96.6Very high87.7Confident0 Ų017.9 Ų17.90%010%0.103CC..EExtended strand (participates in β ladder)trans-161.392.4168.9-175.954.8000109G153 A172 A176 F178 F215 F217 Y231 V238 V250G153-L174 CarbonylContact C-O 3.59Å; G153-L174 VanDerWaalsContact CA-O 3.29Å; G153-L174 WeakPolarHBondContact CA-O 3.29Å; G153-L174 CarbonylContact O-C 3.57Å; G153-L174 VanDerWaalsContact O-C 3.3Å; G153-L174 PolarHBondContact O-N 2.83Å; G153-L174 VanDerWaalsContact O-O 3.07Å; A172-L174 VanDerWaalsContact C-N 3.28Å; L174-A176 PolarHBondContact O-N 2.64Å; L174-F178 HydrophobicContact CB-CE2 4.33Å; L174-F178 HydrophobicContact CD2-CE2 4.02Å; L174-F178 HydrophobicContact CD2-CZ 3.66Å; L174-F178 HydrophobicContact CG-CE2 3.84Å; L174-F178 HydrophobicContact CG-CZ 3.99Å; L174-F178 WeakPolarHBondContact O-CE2 3.5Å; L174-F215 HydrophobicContact CD2-CD1 3.98Å; L174-F215 HydrophobicContact CD2-CE1 4.24Å; L174-F217 HydrophobicContact CB-CD2 4.38Å; L174-F217 HydrophobicContact CB-CE1 4.34Å; L174-F217 HydrophobicContact CB-CE2 4.06Å; L174-F217 HydrophobicContact CB-CZ 4.04Å; L174-F217 HydrophobicContact CD2-CE1 4.34Å; L174-Y231 HydrophobicContact CB-CE1 4.36Å; L174-V238 HydrophobicContact CD1-CG1 3.98Å; L174-V238 HydrophobicContact CD1-CG2 3.91Å; L174-V250 HydrophobicContact CD1-CG2 3.73Å
175M95.4Very high89.1Confident0 Ų020.8 Ų20.80%012%0.119CC..EExtended strand (participates in β ladder)trans-78.6118.5173.8-177-177.6-71.900108.8G152 F154 T166 Y170 A172 P247 V248 K249G152-M175 CarbonylContact O-C 3.39Å; G152-M175 VanDerWaalsContact O-CA 3.27Å; G152-M175 WeakPolarHBondContact O-CA 3.13Å; F154-M175 HydrophobicContact CB-CB 4.24Å; F154-M175 HydrophobicContact CB-CE 3.69Å; F154-M175 HydrophobicContact CB-CG 4.46Å; F154-M175 HydrophobicContact CD1-CB 4.33Å; F154-M175 HydrophobicContact CD1-CE 3.56Å; F154-M175 HydrophobicContact CD1-CG 3.73Å; F154-M175 HydrophobicContact CD1-SD 4.31Å; F154-M175 HydrophobicContact CD2-CE 3.42Å; F154-M175 VanDerWaalsContact CD2-CE 3.42Å; F154-M175 HydrophobicContact CE1-CE 3.96Å; F154-M175 HydrophobicContact CE1-CG 4.25Å; F154-M175 HydrophobicContact CE2-CE 3.83Å; F154-M175 HydrophobicContact CG-CE 3.26Å; F154-M175 HydrophobicContact CG-CG 4.26Å; F154-M175 HydrophobicContact CZ-CE 4.09Å; T166-M175 HydrophobicContact CG2-CE 4.34Å; T166-M175 HydrophobicContact CG2-SD 3.91Å; Y170-M175 HydrophobicContact CD1-CE 4.08Å; Y170-M175 HydrophobicContact CD2-CE 4.37Å; Y170-M175 HydrophobicContact CG-CE 3.94Å; A172-M175 HydrophobicContact CB-CB 3.94Å; A172-M175 HydrophobicContact CB-CE 4.35Å; M175-P247 HydrophobicContact SD-CG 4.21Å; M175-V248 VanDerWaalsContact O-CA 3.23Å; M175-V248 WeakPolarHBondContact O-CA 3.47Å; M175-K249 HydrophobicContact CB-CB 4.12Å; M175-K249 VanDerWaalsContact CB-O 3.31Å; M175-K249 WeakPolarHBondContact CB-O 3.21Å; M175-K249 PolarHBondContact N-O 3.01Å; M175-K249 PolarHBondContact O-N 2.55Å; M175-K249 VanDerWaalsContact O-N 3.1Å; M175-K249 HydrophobicContact SD-CB 4.16Å; M175-K249 HydrophobicContact SD-CD 3.99Å; M175-K249 HydrophobicContact SD-CG 4.29Å
176A94.4Very high90.3Very high0 Ų020.6 Ų20.60%012%0.118CC..SBendtrans-158.4178.5176.600000111.3G152 L174 F178 L206 I241 V248G152-A176 WeakPolarHBondContact CA-O 3.48Å; G152-A176 PolarHBondContact O-N 3.48Å; L174-A176 PolarHBondContact O-N 2.64Å; A176-F178 HydrophobicContact CB-CD2 4Å; A176-F178 HydrophobicContact CB-CE2 3.72Å; A176-F178 HydrophobicContact CB-CZ 4.16Å; A176-F178 PolarHBondContact O-N 3.02Å; A176-L206 HydrophobicContact CB-CD2 3.8Å; A176-I241 HydrophobicContact CB-CG2 4.14Å; A176-V248 HydrophobicContact CB-CG2 4.5Å
177N93.8Very high91.8Very high13 Ų1321.7 Ų21.77%0.0713%0.125CC..  trans-75.154.8178.6-154.87.8000112.7H125 K207 E245 H246H125-N177 PolarHBondContact CE1-OD1 2.83Å; H125-N177 PolarHBondContact NE2-OD1 2.97Å; N177-K207 HydrophobicContact CB-CB 4.48Å; N177-K207 WeakPolarHBondContact O-CB 3.4Å; N177-K207 PolarHBondContact O-N 2.67Å; N177-E245 PolarHBondContact ND2-OE2 3.39Å; N177-E245 VanDerWaalsContact ND2-OE2 3.16Å; N177-H246 HydrophobicContact CB-CB 3.71Å
178F94.9Very high93.2Very high1 Ų121.1 Ų21.10%0.00412%0.12CC..EExtended strand (participates in β ladder)trans-74.9137.5176.2-68.6-63.1000111.3T151 L174 A176 V204 R205 L206 F215 F217T151-F178 WeakPolarHBondContact O-CB 3.5Å; L174-F178 HydrophobicContact CB-CE2 4.33Å; L174-F178 HydrophobicContact CD2-CE2 4.02Å; L174-F178 HydrophobicContact CD2-CZ 3.66Å; L174-F178 HydrophobicContact CG-CE2 3.84Å; L174-F178 HydrophobicContact CG-CZ 3.99Å; L174-F178 WeakPolarHBondContact O-CE2 3.5Å; A176-F178 HydrophobicContact CB-CD2 4Å; A176-F178 HydrophobicContact CB-CE2 3.72Å; A176-F178 HydrophobicContact CB-CZ 4.16Å; A176-F178 PolarHBondContact O-N 3.02Å; F178-V204 HydrophobicContact CB-CB 4.49Å; F178-V204 HydrophobicContact CB-CG2 4.37Å; F178-V204 HydrophobicContact CD1-CB 4.32Å; F178-V204 HydrophobicContact CD1-CG2 3.7Å; F178-V204 HydrophobicContact CE1-CG2 4.09Å; F178-V204 HydrophobicContact CG-CG2 3.97Å; F178-R205 WeakPolarHBondContact CA-O 3.11Å; F178-L206 HydrophobicContact CD1-CD2 3.69Å; F178-L206 HydrophobicContact CD1-CG 4.06Å; F178-L206 HydrophobicContact CE1-CD2 3.46Å; F178-L206 VanDerWaalsContact CE1-CD2 3.46Å; F178-L206 HydrophobicContact CE1-CG 3.68Å; F178-L206 HydrophobicContact CG-CD2 4.33Å; F178-L206 HydrophobicContact CZ-CD2 3.95Å; F178-L206 HydrophobicContact CZ-CG 4.47Å; F178-F215 HydrophobicContact CE1-CB 3.79Å; F178-F215 HydrophobicContact CE1-CD1 4.08Å; F178-F215 AromaticContact CE1-CD2 3.69Å; F178-F215 HydrophobicContact CE1-CD2 3.69Å; F178-F215 HydrophobicContact CE1-CE2 4.26Å; F178-F215 AromaticContact CE1-CG 3.58Å; F178-F215 HydrophobicContact CE1-CG 3.58Å; F178-F215 HydrophobicContact CZ-CB 4.13Å; F178-F215 AromaticContact CZ-CD1 3.99Å; F178-F215 HydrophobicContact CZ-CD1 3.99Å; F178-F215 HydrophobicContact CZ-CD2 4.42Å; F178-F215 AromaticContact CZ-CG 3.94Å; F178-F215 HydrophobicContact CZ-CG 3.94Å; F178-F217 HydrophobicContact CD2-CE1 4.4Å; F178-F217 HydrophobicContact CD2-CZ 4.13Å; F178-F217 HydrophobicContact CE1-CE1 4.49Å; F178-F217 AromaticContact CE2-CE1 3.73Å; F178-F217 HydrophobicContact CE2-CE1 3.73Å; F178-F217 AromaticContact CE2-CZ 3.67Å; F178-F217 HydrophobicContact CE2-CZ 3.67Å; F178-F217 AromaticContact CZ-CE1 3.8Å; F178-F217 HydrophobicContact CZ-CE1 3.8Å; F178-F217 HydrophobicContact CZ-CZ 4.23Å
179D94.1Very high93.9Very high11 Ų1122.4 Ų22.46%0.05913%0.125CC..EExtended strand (participates in β ladder)trans-131.2102.4174.7-172.3-10000109.8H125 S181 F182 R205H125-D179 HydrophobicContact CB-CB 4.43Å; H125-D179 WeakPolarHBondContact CB-OD2 3.44Å; H125-D179 IonicContact CD2-OD2 2.7Å; H125-D179 IonicContact CG-OD2 2.88Å; D179-S181 PolarHBondContact O-N 3.48Å; D179-S181 WeakPolarHBondContact OD1-CB 3.42Å; D179-S181 PolarHBondContact OD1-N 2.97Å; D179-S181 PolarHBondContact OD1-OG 3.2Å; D179-S181 PolarHBondContact OD2-OG 3.17Å; D179-F182 HydrophobicContact CB-CD2 3.57Å; D179-F182 HydrophobicContact CB-CE2 3.39Å; D179-F182 HydrophobicContact CB-CG 4.49Å; D179-F182 HydrophobicContact CB-CZ 4.21Å; D179-F182 WeakPolarHBondContact OD2-CZ 3.44Å; D179-R205 PolarHBondContact N-O 2.92Å
180P93.3Very high94.1Very high0 Ų023.5 Ų23.50%013%0.129CC..G310 helixtrans-59.9-25.7175.2-28.539.7000113.5L121 S122 T151 F182 S183 S186 V188 V204L121-P180 WeakPolarHBondContact O-CB 3.3Å; L121-P180 VanDerWaalsContact O-CG 3.28Å; L121-P180 WeakPolarHBondContact O-CG 3.28Å; S122-P180 VanDerWaalsContact O-CB 3.29Å; S122-P180 WeakPolarHBondContact O-CB 3.3Å; T151-P180 HydrophobicContact CG2-CG 4.29Å; P180-F182 PolarHBondContact O-N 3.27Å; P180-F182 VanDerWaalsContact O-N 3.11Å; P180-S183 PolarHBondContact O-N 3.16Å; P180-S186 WeakPolarHBondContact O-CB 3.26Å; P180-S186 PolarHBondContact O-OG 3.38Å; P180-V188 HydrophobicContact CG-CG2 4.15Å; P180-V204 HydrophobicContact CB-CG1 4.46Å; P180-V204 HydrophobicContact CG-CG1 4Å
181S92.3Very high94.2Very high56 Ų5623.7 Ų23.739%0.39213%0.13SC..G310 helixtrans-63.5-20.4-175.377.30000114.5N123 D179 S183N123-S181 WeakPolarHBondContact O-CB 3.27Å; D179-S181 PolarHBondContact O-N 3.48Å; D179-S181 WeakPolarHBondContact OD1-CB 3.42Å; D179-S181 PolarHBondContact OD1-N 2.97Å; D179-S181 PolarHBondContact OD1-OG 3.2Å; D179-S181 PolarHBondContact OD2-OG 3.17Å; S181-S183 PolarHBondContact O-N 2.63Å
182F91.6Very high94Very high80 Ų8025.7 Ų25.735%0.35114%0.141SC..G310 helixtrans-70.7-5.8178.5-65.6-46000115D179 P180 R205 K207 E210D179-F182 HydrophobicContact CB-CD2 3.57Å; D179-F182 HydrophobicContact CB-CE2 3.39Å; D179-F182 HydrophobicContact CB-CG 4.49Å; D179-F182 HydrophobicContact CB-CZ 4.21Å; D179-F182 WeakPolarHBondContact OD2-CZ 3.44Å; P180-F182 PolarHBondContact O-N 3.27Å; P180-F182 VanDerWaalsContact O-N 3.11Å; F182-R205 PolarHBondContact O-NH1 3.24Å; F182-K207 HydrophobicContact CE2-CB 3.96Å; F182-K207 HydrophobicContact CE2-CG 3.99Å; F182-K207 HydrophobicContact CZ-CG 4.05Å; F182-E210 HydrophobicContact CB-CG 4.26Å; F182-E210 HydrophobicContact CD1-CG 4.39Å; F182-E210 HydrophobicContact CD2-CG 3.71Å; F182-E210 HydrophobicContact CE2-CG 4.12Å; F182-E210 WeakPolarHBondContact CE2-OE1 3.16Å; F182-E210 HydrophobicContact CG-CG 3.88Å; F182-E210 WeakPolarHBondContact CZ-OE1 3.36Å
183S90.6Very high93.8Very high13 Ų1329.5 Ų29.59%0.09116%0.162CC..  trans-147.9132.3177.9-155.40000110.9P180 S181 N185 S186 R205P180-S183 PolarHBondContact O-N 3.16Å; S181-S183 PolarHBondContact O-N 2.63Å; S183-N185 PolarHBondContact O-N 3.32Å; S183-N185 PolarHBondContact OG-N 2.89Å; S183-S186 WeakPolarHBondContact CB-OG 3.49Å; S183-S186 WeakPolarHBondContact O-CB 3.29Å; S183-S186 PolarHBondContact O-N 2.86Å; S183-R205 PolarHBondContact OG-NH1 3.09Å
184T87.8Confident93.6Very high130 Ų13031.1 Ų31.180%0.79818%0.178SC*.THydrogen-bonded Turntrans-65.7-16.2167.253.60000112.9
185N91.6Very high93.5Very high103 Ų10335 Ų3555%0.55120%0.201SC*.THydrogen-bonded Turntrans-89.9-9.2175.2-65.9-35.8000113.2S183 K203S183-N185 PolarHBondContact O-N 3.32Å; S183-N185 PolarHBondContact OG-N 2.89Å; N185-K203 HydrophobicContact CB-CD 4.42Å
186S94.4Very high93.5Very high2 Ų236 Ų361%0.01421%0.207CC..  trans-72.7128.9174.1-65.10000108.2P180 S183 D202 K203P180-S186 WeakPolarHBondContact O-CB 3.26Å; P180-S186 PolarHBondContact O-OG 3.38Å; S183-S186 WeakPolarHBondContact CB-OG 3.49Å; S183-S186 WeakPolarHBondContact O-CB 3.29Å; S183-S186 PolarHBondContact O-N 2.86Å; S186-D202 CarbonylContact C-O 3.54Å; S186-D202 WeakPolarHBondContact CA-O 3.4Å; S186-K203 PolarHBondContact OG-O 2.98Å; S186-K203 VanDerWaalsContact OG-O 3.1Å
187T95Very high93.7Very high27 Ų2736 Ų3617%0.16621%0.207CC..EExtended strand (participates in β ladder)trans-136.9141.9174.361.40000111.2I117 D202I117-T187 HydrophobicContact CG2-CG2 4.37Å; T187-D202 PolarHBondContact N-O 2.77Å; T187-D202 WeakPolarHBondContact O-CB 3.19Å; T187-D202 PolarHBondContact O-N 3.5Å; T187-D202 WeakPolarHBondContact OG1-CB 3.4Å
188V96.1Very high93.8Very high0 Ų035.3 Ų35.30%020%0.203CC..EExtended strand (participates in β ladder)trans-107114165.3-177.10000106.8H118 L121 S122 V149 P180 V199H118-V188 PolarHBondContact N-O 2.9Å; L121-V188 HydrophobicContact CB-CB 3.87Å; L121-V188 HydrophobicContact CB-CG1 4.16Å; L121-V188 HydrophobicContact CB-CG2 4.15Å; L121-V188 HydrophobicContact CD1-CG1 4.06Å; L121-V188 WeakPolarHBondContact O-CG2 3.33Å; S122-V188 PolarHBondContact OG-N 3.48Å; S122-V188 PolarHBondContact OG-O 2.99Å; V149-V188 HydrophobicContact CG1-CG1 4.13Å; P180-V188 HydrophobicContact CG-CG2 4.15Å; V188-V199 HydrophobicContact CG1-CG2 4.34Å
189R94.6Very high94Very high27 Ų2735.3 Ų35.310%0.10220%0.203CC..EExtended strand (participates in β ladder)trans-131.9147.2-17654.5179.9155165.9-7.4110.5L107 N108 V115 R116 I117 Q200 D202L107-R189 HydrophobicContact CD1-CG 4.06Å; N108-R189 PolarHBondContact OD1-NH1 2.95Å; V115-R189 HydrophobicContact CG1-CB 4.27Å; R116-R189 CarbonylContact O-C 3.57Å; R116-R189 VanDerWaalsContact O-CA 3.24Å; R116-R189 WeakPolarHBondContact O-CA 3.19Å; I117-R189 HydrophobicContact CG1-CB 4.1Å; R189-Q200 HydrophobicContact CG-CB 4.06Å; R189-Q200 PolarHBondContact N-O 3.47Å; R189-Q200 PolarHBondContact O-N 2.84Å; R189-D202 IonicContact CZ-OD2 3.75Å; R189-D202 IonicContact NE-OD2 2.71Å; R189-D202 VanDerWaalsContact NH2-CG 3.3Å; R189-D202 IonicContact NH2-OD1 2.91Å; R189-D202 IonicContact NH2-OD2 3.63Å; R189-D202 PolarHBondContact NH2-OD2 2.99Å
190Y95.2Very high94.1Very high29 Ų2935 Ų3511%0.11420%0.201CC..EExtended strand (participates in β ladder)trans-141.1159.8179.358.2-97000111.7R116 H118 V131 F197 V198R116-Y190 HydrophobicContact CB-CD2 4.28Å; R116-Y190 HydrophobicContact CB-CE2 3.82Å; R116-Y190 HydrophobicContact CG-CE2 4.33Å; R116-Y190 PolarHBondContact N-O 2.91Å; R116-Y190 PolarHBondContact O-N 2.84Å; H118-Y190 HydrophobicContact CB-CE1 4.09Å; V131-Y190 HydrophobicContact CG1-CD2 4.36Å; V131-Y190 HydrophobicContact CG1-CE2 4.03Å; V131-Y190 HydrophobicContact CG2-CE1 4.1Å; V131-Y190 HydrophobicContact CG2-CE2 4.43Å; Y190-F197 AromaticContact CD2-CE2 3.91Å; Y190-F197 HydrophobicContact CD2-CE2 3.91Å; Y190-F197 HydrophobicContact CD2-CZ 4.34Å; Y190-F197 HydrophobicContact CG-CE2 4.19Å; Y190-F197 HydrophobicContact CG-CZ 4.18Å; Y190-V198 CarbonylContact C-O 3.58Å; Y190-V198 WeakPolarHBondContact CA-O 3.48Å; Y190-V198 VanDerWaalsContact CB-O 3.24Å; Y190-V198 WeakPolarHBondContact CB-O 3.37Å
191M94.6Very high94.4Very high5 Ų535 Ų353%0.02520%0.201CC..EExtended strand (participates in β ladder)trans-139.4140.6-179.7-179.1-102-5900108.9V105 L107 L110 Q114 V115 N193 F197 V198V105-M191 HydrophobicContact CG1-CE 3.71Å; L107-M191 HydrophobicContact CD2-CB 3.81Å; L107-M191 HydrophobicContact CD2-CE 3.7Å; L107-M191 HydrophobicContact CD2-CG 4.48Å; L110-M191 HydrophobicContact CD1-CE 3.25Å; L110-M191 HydrophobicContact CD1-CG 4.19Å; L110-M191 HydrophobicContact CD1-SD 4.1Å; Q114-M191 HydrophobicContact CB-CG 4.3Å; V115-M191 HydrophobicContact CG2-CB 4.22Å; V115-M191 HydrophobicContact CG2-CG 4.25Å; M191-N193 HydrophobicContact SD-CB 4.07Å; M191-F197 CarbonylContact O-C 3.56Å; M191-F197 WeakPolarHBondContact O-CA 3.46Å; M191-V198 HydrophobicContact CE-CG2 4.17Å; M191-V198 PolarHBondContact N-O 2.79Å; M191-V198 PolarHBondContact O-N 2.9Å
192D94.3Very high94.6Very high43 Ų4333.3 Ų33.323%0.2319%0.188CC..EExtended strand (participates in β ladder)trans-133.6125.8175.4-170.8-15.6000108.5S134 G194 F197S134-D192 WeakPolarHBondContact CB-OD2 3.38Å; S134-D192 PolarHBondContact N-OD2 2.86Å; S134-D192 PolarHBondContact OG-OD1 2.94Å; S134-D192 PolarHBondContact OG-OD2 3.46Å; S134-D192 VanDerWaalsContact OG-OD2 3.09Å; D192-G194 PolarHBondContact OD1-N 3.18Å; D192-G194 VanDerWaalsContact OD1-N 3.07Å; D192-F197 HydrophobicContact CB-CD2 3.98Å
193N92.3Very high94.8Very high80 Ų8033.9 Ų33.943%0.42819%0.19SC..  trans-116.69.7-178.177.29.8000114.9M191 T195 L196M191-N193 HydrophobicContact SD-CB 4.07Å; N193-T195 PolarHBondContact OD1-N 3.26Å; N193-T195 PolarHBondContact OD1-OG1 2.81Å; N193-L196 PolarHBondContact N-O 3.39Å; N193-L196 VanDerWaalsContact N-O 3.09Å; N193-L196 WeakPolarHBondContact OD1-CB 3.45Å; N193-L196 PolarHBondContact OD1-N 3.22Å; N193-L196 PolarHBondContact OD1-O 2.83Å
194G92.4Very high95Very high33 Ų3333.2 Ų33.234%0.3419%0.186SC..SBendtrans96.3-23.3-17600000114.7S134 F135 D192S134-G194 WeakPolarHBondContact OG-CA 3.43Å; S134-G194 PolarHBondContact OG-N 3.32Å; F135-G194 WeakPolarHBondContact CB-O 3.39Å; D192-G194 PolarHBondContact OD1-N 3.18Å; D192-G194 VanDerWaalsContact OD1-N 3.07Å
195T95.3Very high95.4Very high81 Ų8130.1 Ų30.150%0.49716%0.159SC..SBendtrans-133.3-15.8-176.159.90000113.3N193 S223N193-T195 PolarHBondContact OD1-N 3.26Å; N193-T195 PolarHBondContact OD1-OG1 2.81Å; T195-S223 WeakPolarHBondContact O-CB 3.41Å; T195-S223 PolarHBondContact O-N 2.83Å; T195-S223 PolarHBondContact O-OG 3.27Å
196L95.9Very high95.5Very high21 Ų2125.5 Ų25.511%0.1114%0.135CC..EExtended strand (participates in β ladder)trans-144127.9-175.717664000108.2V105 N193 V198 A220 L221 H222V105-L196 HydrophobicContact CG2-CD2 4.29Å; N193-L196 PolarHBondContact N-O 3.39Å; N193-L196 VanDerWaalsContact N-O 3.09Å; N193-L196 WeakPolarHBondContact OD1-CB 3.45Å; N193-L196 PolarHBondContact OD1-N 3.22Å; N193-L196 PolarHBondContact OD1-O 2.83Å; L196-V198 HydrophobicContact CD1-CG2 4.08Å; L196-V198 HydrophobicContact CD2-CG2 3.94Å; L196-V198 HydrophobicContact CG-CG2 3.78Å; L196-A220 HydrophobicContact CD1-CB 4.02Å; L196-L221 WeakPolarHBondContact CA-O 3.28Å; L196-H222 WeakPolarHBondContact CD1-NE2 3.19Å
197F97.3Very high95.2Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-111.4130.9167.8175.8-94.2000109V131 L133 F135 I147 V149 I155 Y190 M191 D192 V199 A220 L221V131-F197 HydrophobicContact CG1-CE2 3.83Å; V131-F197 HydrophobicContact CG1-CZ 4.23Å; L133-F197 HydrophobicContact CD2-CB 3.73Å; L133-F197 HydrophobicContact CD2-CD1 4.03Å; L133-F197 HydrophobicContact CD2-CD2 3.47Å; L133-F197 VanDerWaalsContact CD2-CD2 3.47Å; L133-F197 HydrophobicContact CD2-CE2 4.07Å; L133-F197 HydrophobicContact CD2-CG 3.45Å; L133-F197 VanDerWaalsContact CD2-CG 3.45Å; F135-F197 HydrophobicContact CE1-CB 4.01Å; F135-F197 HydrophobicContact CZ-CB 4.03Å; I147-F197 HydrophobicContact CD1-CD1 4Å; I147-F197 HydrophobicContact CD1-CE1 3.49Å; I147-F197 VanDerWaalsContact CD1-CE1 3.49Å; I147-F197 HydrophobicContact CD1-CE2 4.37Å; I147-F197 HydrophobicContact CD1-CZ 3.71Å; V149-F197 HydrophobicContact CG2-CZ 4.32Å; I155-F197 HydrophobicContact CD1-CE1 4.43Å; Y190-F197 AromaticContact CD2-CE2 3.91Å; Y190-F197 HydrophobicContact CD2-CE2 3.91Å; Y190-F197 HydrophobicContact CD2-CZ 4.34Å; Y190-F197 HydrophobicContact CG-CE2 4.19Å; Y190-F197 HydrophobicContact CG-CZ 4.18Å; M191-F197 CarbonylContact O-C 3.56Å; M191-F197 WeakPolarHBondContact O-CA 3.46Å; D192-F197 HydrophobicContact CB-CD2 3.98Å; F197-V199 HydrophobicContact CE1-CB 4.05Å; F197-V199 HydrophobicContact CE1-CG1 4.16Å; F197-V199 HydrophobicContact CZ-CB 4.38Å; F197-A220 CarbonylContact O-C 3.47Å; F197-A220 WeakPolarHBondContact O-CA 3.29Å; F197-L221 HydrophobicContact CB-CB 4.35Å; F197-L221 HydrophobicContact CD1-CD1 3.98Å; F197-L221 HydrophobicContact CD1-CG 4.22Å; F197-L221 PolarHBondContact N-O 3.5Å; F197-L221 PolarHBondContact O-N 2.83Å
198V97.4Very high94.9Very high0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-127.1132177.2-174.50000109.1V105 L107 Y190 M191 L196 Q218 A219 A220V105-V198 HydrophobicContact CB-CG1 4.38Å; V105-V198 HydrophobicContact CB-CG2 4.17Å; V105-V198 HydrophobicContact CG1-CG2 4.17Å; V105-V198 HydrophobicContact CG2-CG2 4.02Å; L107-V198 HydrophobicContact CD2-CB 4.49Å; L107-V198 HydrophobicContact CD2-CG1 4.48Å; Y190-V198 CarbonylContact C-O 3.58Å; Y190-V198 WeakPolarHBondContact CA-O 3.48Å; Y190-V198 VanDerWaalsContact CB-O 3.24Å; Y190-V198 WeakPolarHBondContact CB-O 3.37Å; M191-V198 HydrophobicContact CE-CG2 4.17Å; M191-V198 PolarHBondContact N-O 2.79Å; M191-V198 PolarHBondContact O-N 2.9Å; L196-V198 HydrophobicContact CD1-CG2 4.08Å; L196-V198 HydrophobicContact CD2-CG2 3.94Å; L196-V198 HydrophobicContact CG-CG2 3.78Å; V198-Q218 HydrophobicContact CG1-CB 4.42Å; V198-Q218 HydrophobicContact CG1-CG 4.46Å; V198-A219 WeakPolarHBondContact CA-O 3.49Å; V198-A220 HydrophobicContact CG2-CB 3.98Å
199V97.6Very high94.5Very high0 Ų034.4 Ų34.40%017%0.174CC..EExtended strand (participates in β ladder)trans-117.2135.1167.155.20000109.5V149 I155 V188 F197 W201 Q218 A219V149-V199 HydrophobicContact CG1-CG2 3.74Å; I155-V199 HydrophobicContact CD1-CG1 3.62Å; I155-V199 HydrophobicContact CG1-CG1 4.05Å; V188-V199 HydrophobicContact CG1-CG2 4.34Å; F197-V199 HydrophobicContact CE1-CB 4.05Å; F197-V199 HydrophobicContact CE1-CG1 4.16Å; F197-V199 HydrophobicContact CZ-CB 4.38Å; V199-W201 HydrophobicContact CB-CH2 4.31Å; V199-W201 HydrophobicContact CB-CZ3 4.31Å; V199-W201 HydrophobicContact CG1-CE3 4.48Å; V199-W201 HydrophobicContact CG1-CH2 3.48Å; V199-W201 VanDerWaalsContact CG1-CH2 3.48Å; V199-W201 HydrophobicContact CG1-CZ2 4.39Å; V199-W201 HydrophobicContact CG1-CZ3 3.53Å; V199-W201 HydrophobicContact CG2-CD2 4.39Å; V199-W201 HydrophobicContact CG2-CE3 4.22Å; V199-W201 HydrophobicContact CG2-CH2 3.82Å; V199-W201 HydrophobicContact CG2-CZ2 3.98Å; V199-W201 HydrophobicContact CG2-CZ3 3.95Å; V199-Q218 CarbonylContact O-C 3.58Å; V199-Q218 VanDerWaalsContact O-CA 3.23Å; V199-Q218 WeakPolarHBondContact O-CA 3.08Å; V199-A219 HydrophobicContact CG1-CB 4.05Å; V199-A219 PolarHBondContact N-O 3.41Å; V199-A219 PolarHBondContact O-N 2.81Å
200Q97.7Very high94.2Very high4 Ų435.8 Ų35.82%0.01918%0.182CC..EExtended strand (participates in β ladder)trans-120.6125.8176.4-175.4177.8-36.900109.6L107 R189 D202 Q218L107-Q200 HydrophobicContact CD1-CB 3.75Å; R189-Q200 HydrophobicContact CG-CB 4.06Å; R189-Q200 PolarHBondContact N-O 3.47Å; R189-Q200 PolarHBondContact O-N 2.84Å; Q200-D202 HydrophobicContact CG-CB 4.16Å; Q200-D202 VanDerWaalsContact NE2-CG 3.27Å; Q200-D202 PolarHBondContact NE2-OD1 3.01Å; Q200-Q218 HydrophobicContact CB-CG 3.71Å; Q200-Q218 HydrophobicContact CG-CG 3.68Å
201W97.8Very high93.9Very high0 Ų042.2 Ų42.20%022%0.218CC..EExtended strand (participates in β ladder)trans-93103.5161.9-65.3-97.8000106.7V149 A150 I155 P173 V199 V204 T216 F217 A219V149-W201 HydrophobicContact CG1-CZ2 3.98Å; A150-W201 PolarHBondContact O-NE1 3.1Å; I155-W201 HydrophobicContact CG1-CH2 4.07Å; P173-W201 HydrophobicContact CG-CE3 4.4Å; P173-W201 HydrophobicContact CG-CH2 4.21Å; P173-W201 HydrophobicContact CG-CZ3 3.69Å; V199-W201 HydrophobicContact CB-CH2 4.31Å; V199-W201 HydrophobicContact CB-CZ3 4.31Å; V199-W201 HydrophobicContact CG1-CE3 4.48Å; V199-W201 HydrophobicContact CG1-CH2 3.48Å; V199-W201 VanDerWaalsContact CG1-CH2 3.48Å; V199-W201 HydrophobicContact CG1-CZ2 4.39Å; V199-W201 HydrophobicContact CG1-CZ3 3.53Å; V199-W201 HydrophobicContact CG2-CD2 4.39Å; V199-W201 HydrophobicContact CG2-CE3 4.22Å; V199-W201 HydrophobicContact CG2-CH2 3.82Å; V199-W201 HydrophobicContact CG2-CZ2 3.98Å; V199-W201 HydrophobicContact CG2-CZ3 3.95Å; W201-V204 HydrophobicContact CB-CG1 3.98Å; W201-V204 HydrophobicContact CB-CG2 3.92Å; W201-T216 WeakPolarHBondContact O-CA 3.37Å; W201-F217 HydrophobicContact CB-CD1 4.5Å; W201-F217 HydrophobicContact CB-CD2 4.49Å; W201-F217 HydrophobicContact CB-CE1 4.01Å; W201-F217 HydrophobicContact CB-CE2 4Å; W201-F217 HydrophobicContact CB-CZ 3.74Å; W201-F217 HydrophobicContact CD2-CD2 4.42Å; W201-F217 AromaticContact CD2-CE2 3.7Å; W201-F217 HydrophobicContact CD2-CE2 3.7Å; W201-F217 HydrophobicContact CD2-CZ 4.1Å; W201-F217 AromaticContact CE3-CD2 3.73Å; W201-F217 HydrophobicContact CE3-CD2 3.73Å; W201-F217 AromaticContact CE3-CE2 3.35Å; W201-F217 HydrophobicContact CE3-CE2 3.35Å; W201-F217 HydrophobicContact CE3-CZ 4.2Å; W201-F217 AromaticContact CG-CE2 3.99Å; W201-F217 HydrophobicContact CG-CE2 3.99Å; W201-F217 AromaticContact CG-CZ 3.91Å; W201-F217 HydrophobicContact CG-CZ 3.91Å; W201-F217 HydrophobicContact CZ3-CD2 4.36Å; W201-F217 HydrophobicContact CZ3-CE2 4.03Å; W201-F217 PolarHBondContact N-O 2.99Å; W201-F217 PolarHBondContact O-N 2.88Å; W201-F217 VanDerWaalsContact O-N 3.16Å; W201-A219 HydrophobicContact CZ3-CB 4.31Å
202D96.8Very high93.7Very high21 Ų2146.2 Ų46.211%0.11224%0.237CC..EExtended strand (participates in β ladder)trans-101121.5-173.3-168.342.3000110.4S186 T187 R189 Q200 V204 T216S186-D202 CarbonylContact C-O 3.54Å; S186-D202 WeakPolarHBondContact CA-O 3.4Å; T187-D202 PolarHBondContact N-O 2.77Å; T187-D202 WeakPolarHBondContact O-CB 3.19Å; T187-D202 PolarHBondContact O-N 3.5Å; T187-D202 WeakPolarHBondContact OG1-CB 3.4Å; R189-D202 IonicContact CZ-OD2 3.75Å; R189-D202 IonicContact NE-OD2 2.71Å; R189-D202 VanDerWaalsContact NH2-CG 3.3Å; R189-D202 IonicContact NH2-OD1 2.91Å; R189-D202 IonicContact NH2-OD2 3.63Å; R189-D202 PolarHBondContact NH2-OD2 2.99Å; Q200-D202 HydrophobicContact CG-CB 4.16Å; Q200-D202 VanDerWaalsContact NE2-CG 3.27Å; Q200-D202 PolarHBondContact NE2-OD1 3.01Å; D202-V204 PolarHBondContact O-N 3.1Å; D202-V204 VanDerWaalsContact O-N 3.13Å; D202-T216 WeakPolarHBondContact OD1-CG2 3.4Å
203K95.9Very high93.6Very high92 Ų9244.9 Ų44.940%0.423%0.234SC..EExtended strand (participates in β ladder)trans52.129.9178.3-57.7178.2-178.9175.60115.8N185 S186 P214 F215 T216N185-K203 HydrophobicContact CB-CD 4.42Å; S186-K203 PolarHBondContact OG-O 2.98Å; S186-K203 VanDerWaalsContact OG-O 3.1Å; K203-P214 HydrophobicContact CB-CB 3.84Å; K203-P214 HydrophobicContact CG-CB 4.25Å; K203-F215 CarbonylContact C-O 3.49Å; K203-F215 VanDerWaalsContact CA-O 3.24Å; K203-F215 WeakPolarHBondContact CA-O 3.38Å; K203-F215 PolarHBondContact N-O 2.86Å; K203-T216 PolarHBondContact N-OG1 3.45Å
204V96.3Very high93.8Very high0 Ų042.4 Ų42.40%022%0.222CC..EExtended strand (participates in β ladder)trans-69.7148.1177.4-62.40000110.5F178 P180 W201 D202 F215 F217F178-V204 HydrophobicContact CB-CB 4.49Å; F178-V204 HydrophobicContact CB-CG2 4.37Å; F178-V204 HydrophobicContact CD1-CB 4.32Å; F178-V204 HydrophobicContact CD1-CG2 3.7Å; F178-V204 HydrophobicContact CE1-CG2 4.09Å; F178-V204 HydrophobicContact CG-CG2 3.97Å; P180-V204 HydrophobicContact CB-CG1 4.46Å; P180-V204 HydrophobicContact CG-CG1 4Å; W201-V204 HydrophobicContact CB-CG1 3.98Å; W201-V204 HydrophobicContact CB-CG2 3.92Å; D202-V204 PolarHBondContact O-N 3.1Å; D202-V204 VanDerWaalsContact O-N 3.13Å; V204-F215 HydrophobicContact CG2-CB 4.12Å; V204-F215 PolarHBondContact N-O 2.87Å; V204-F215 PolarHBondContact O-N 2.8Å; V204-F217 HydrophobicContact CG2-CE1 4.02Å
205R94.8Very high94Very high64 Ų6441 Ų4124%0.24221%0.206CC..EExtended strand (participates in β ladder)trans-113.2147-178.4-68.6-169174.6107.79111.4F178 D179 F182 S183 E210F178-R205 WeakPolarHBondContact CA-O 3.11Å; D179-R205 PolarHBondContact N-O 2.92Å; F182-R205 PolarHBondContact O-NH1 3.24Å; S183-R205 PolarHBondContact OG-NH1 3.09Å; R205-E210 WeakPolarHBondContact CD-O 3.28Å
206L93.6Very high94.1Very high6 Ų637.3 Ų37.33%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-74.6133.8169.9-73.2171.6000109.3A176 F178 R209 E210 F215 I241A176-L206 HydrophobicContact CB-CD2 3.8Å; F178-L206 HydrophobicContact CD1-CD2 3.69Å; F178-L206 HydrophobicContact CD1-CG 4.06Å; F178-L206 HydrophobicContact CE1-CD2 3.46Å; F178-L206 VanDerWaalsContact CE1-CD2 3.46Å; F178-L206 HydrophobicContact CE1-CG 3.68Å; F178-L206 HydrophobicContact CG-CD2 4.33Å; F178-L206 HydrophobicContact CZ-CD2 3.95Å; F178-L206 HydrophobicContact CZ-CG 4.47Å; L206-R209 HydrophobicContact CB-CB 4.28Å; L206-R209 CarbonylContact O-C 3.5Å; L206-R209 PolarHBondContact O-N 3.18Å; L206-E210 PolarHBondContact O-N 3.39Å; L206-F215 HydrophobicContact CD1-CE1 4.49Å; L206-F215 HydrophobicContact CD1-CE2 3.51Å; L206-F215 HydrophobicContact CD1-CZ 3.49Å; L206-F215 VanDerWaalsContact CD1-CZ 3.49Å; L206-F215 HydrophobicContact CG-CD2 4.3Å; L206-F215 HydrophobicContact CG-CE2 3.71Å; L206-F215 HydrophobicContact CG-CZ 4.11Å; L206-I241 HydrophobicContact CD1-CD1 4.03Å; L206-I241 HydrophobicContact CD1-CG1 3.91Å; L206-I241 HydrophobicContact CD1-CG2 4.08Å; L206-I241 HydrophobicContact CD2-CG2 4Å
207K89.6Confident94.2Very high56 Ų5636.3 Ų36.324%0.24318%0.178CC..THydrogen-bonded Turntrans-60.8140.4171.1-171.8-179.5169.6-147.90111N177 F182 R209 E245N177-K207 HydrophobicContact CB-CB 4.48Å; N177-K207 WeakPolarHBondContact O-CB 3.4Å; N177-K207 PolarHBondContact O-N 2.67Å; F182-K207 HydrophobicContact CE2-CB 3.96Å; F182-K207 HydrophobicContact CE2-CG 3.99Å; F182-K207 HydrophobicContact CZ-CG 4.05Å; K207-R209 PolarHBondContact O-N 3.47Å; K207-E245 IonicContact NZ-OE1 3.5Å; K207-E245 IonicContact NZ-OE2 3.09Å; K207-E245 PolarHBondContact NZ-OE2 2.96Å
208D87Confident94.2Very high101 Ų10136.3 Ų36.354%0.5418%0.178SC..THydrogen-bonded Turntrans67.52.7-177.2-47.3-51.8000114.7E210D208-E210 PolarHBondContact N-OE1 2.7Å
209R87.8Confident94.3Very high60 Ų6036.3 Ų36.323%0.22618%0.178CC..  trans-139.734.3-178.7-60.1-175.373.6-176.34112.1L206 K207 N211 E212 K240L206-R209 HydrophobicContact CB-CB 4.28Å; L206-R209 CarbonylContact O-C 3.5Å; L206-R209 PolarHBondContact O-N 3.18Å; K207-R209 PolarHBondContact O-N 3.47Å; R209-N211 PolarHBondContact O-N 3.06Å; R209-N211 VanDerWaalsContact O-N 3.17Å; R209-E212 HydrophobicContact CB-CG 4.39Å; R209-E212 IonicContact CZ-OE1 3Å; R209-E212 IonicContact CZ-OE2 3.56Å; R209-E212 VanDerWaalsContact CZ-OE2 3.3Å; R209-E212 VanDerWaalsContact NE-CD 3.27Å; R209-E212 IonicContact NE-OE1 2.83Å; R209-E212 PolarHBondContact NE-OE1 3.13Å; R209-E212 IonicContact NE-OE2 2.8Å; R209-E212 PolarHBondContact NE-OE2 3.41Å; R209-E212 IonicContact NH2-OE1 3.59Å; R209-E212 PolarHBondContact NH2-OE1 3.06Å; R209-E212 IonicContact NH2-OE2 3.82Å; R209-E212 PolarHBondContact NH2-OE2 2.91Å; R209-E212 PolarHBondContact O-N 2.85Å; R209-E212 VanDerWaalsContact O-N 3.13Å; R209-K240 PolarHBondContact NH1-O 2.99Å
210E89Confident94.3Very high55 Ų5536.3 Ų36.326%0.25718%0.178SC..G310 helixtrans-62.4-29.2-173-58.377.3-168.400112.5F182 R205 L206 D208 E212F182-E210 HydrophobicContact CB-CG 4.26Å; F182-E210 HydrophobicContact CD1-CG 4.39Å; F182-E210 HydrophobicContact CD2-CG 3.71Å; F182-E210 HydrophobicContact CE2-CG 4.12Å; F182-E210 WeakPolarHBondContact CE2-OE1 3.16Å; F182-E210 HydrophobicContact CG-CG 3.88Å; F182-E210 WeakPolarHBondContact CZ-OE1 3.36Å; R205-E210 WeakPolarHBondContact CD-O 3.28Å; L206-E210 PolarHBondContact O-N 3.39Å; D208-E210 PolarHBondContact N-OE1 2.7Å; E210-E212 VanDerWaalsContact C-N 3.28Å; E210-E212 PolarHBondContact O-N 2.88Å
211N89.1Confident94.3Very high165 Ų16536.1 Ų36.188%0.88218%0.177SC*.G310 helixtrans-75-13.1-178.6-63.6-32.4000113.8R209 G213R209-N211 PolarHBondContact O-N 3.06Å; R209-N211 VanDerWaalsContact O-N 3.17Å; N211-G213 VanDerWaalsContact C-N 3.32Å
212E90.2Very high94.3Very high88 Ų8838.8 Ų38.841%0.41119%0.19SC..G310 helixtrans-83.2-12.5-176.3-63.2-164.4-151.300113.6R209 E210 P235 V236R209-E212 HydrophobicContact CB-CG 4.39Å; R209-E212 IonicContact CZ-OE1 3Å; R209-E212 IonicContact CZ-OE2 3.56Å; R209-E212 VanDerWaalsContact CZ-OE2 3.3Å; R209-E212 VanDerWaalsContact NE-CD 3.27Å; R209-E212 IonicContact NE-OE1 2.83Å; R209-E212 PolarHBondContact NE-OE1 3.13Å; R209-E212 IonicContact NE-OE2 2.8Å; R209-E212 PolarHBondContact NE-OE2 3.41Å; R209-E212 IonicContact NH2-OE1 3.59Å; R209-E212 PolarHBondContact NH2-OE1 3.06Å; R209-E212 IonicContact NH2-OE2 3.82Å; R209-E212 PolarHBondContact NH2-OE2 2.91Å; R209-E212 PolarHBondContact O-N 2.85Å; R209-E212 VanDerWaalsContact O-N 3.13Å; E210-E212 VanDerWaalsContact C-N 3.28Å; E210-E212 PolarHBondContact O-N 2.88Å; E212-P235 WeakPolarHBondContact O-CB 3.17Å; E212-V236 HydrophobicContact CB-CG2 3.71Å; E212-V236 HydrophobicContact CG-CG2 4.5Å; E212-V236 WeakPolarHBondContact OE2-CG2 3.45Å
213G92.2Very high94.3Very high16 Ų1640.3 Ų40.317%0.16520%0.202CC..  trans124.2170.317100000113.8N211N211-G213 VanDerWaalsContact C-N 3.32Å
214P95.9Very high94.3Very high28 Ų2840.7 Ų40.718%0.18221%0.208CC..  trans-83.5146178.532.6-30.5000111.9K203 E233 P235K203-P214 HydrophobicContact CB-CB 3.84Å; K203-P214 HydrophobicContact CG-CB 4.25Å; P214-E233 WeakPolarHBondContact O-CG 3.36Å; P214-P235 WeakPolarHBondContact O-CD 3.32Å
215F97.3Very high94.3Very high2 Ų240.7 Ų40.71%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-100.4136.2170.3-71.5-107.6000109.5L174 F178 K203 V204 L206 F217 E233 V234 P235 V236 I241L174-F215 HydrophobicContact CD2-CD1 3.98Å; L174-F215 HydrophobicContact CD2-CE1 4.24Å; F178-F215 HydrophobicContact CE1-CB 3.79Å; F178-F215 HydrophobicContact CE1-CD1 4.08Å; F178-F215 AromaticContact CE1-CD2 3.69Å; F178-F215 HydrophobicContact CE1-CD2 3.69Å; F178-F215 HydrophobicContact CE1-CE2 4.26Å; F178-F215 AromaticContact CE1-CG 3.58Å; F178-F215 HydrophobicContact CE1-CG 3.58Å; F178-F215 HydrophobicContact CZ-CB 4.13Å; F178-F215 AromaticContact CZ-CD1 3.99Å; F178-F215 HydrophobicContact CZ-CD1 3.99Å; F178-F215 HydrophobicContact CZ-CD2 4.42Å; F178-F215 AromaticContact CZ-CG 3.94Å; F178-F215 HydrophobicContact CZ-CG 3.94Å; K203-F215 CarbonylContact C-O 3.49Å; K203-F215 VanDerWaalsContact CA-O 3.24Å; K203-F215 WeakPolarHBondContact CA-O 3.38Å; K203-F215 PolarHBondContact N-O 2.86Å; V204-F215 HydrophobicContact CG2-CB 4.12Å; V204-F215 PolarHBondContact N-O 2.87Å; V204-F215 PolarHBondContact O-N 2.8Å; L206-F215 HydrophobicContact CD1-CE1 4.49Å; L206-F215 HydrophobicContact CD1-CE2 3.51Å; L206-F215 HydrophobicContact CD1-CZ 3.49Å; L206-F215 VanDerWaalsContact CD1-CZ 3.49Å; L206-F215 HydrophobicContact CG-CD2 4.3Å; L206-F215 HydrophobicContact CG-CE2 3.71Å; L206-F215 HydrophobicContact CG-CZ 4.11Å; F215-F217 HydrophobicContact CB-CD1 4.18Å; F215-F217 HydrophobicContact CB-CE1 4.12Å; F215-E233 WeakPolarHBondContact CA-O 3.2Å; F215-V234 HydrophobicContact CD1-CG1 4.31Å; F215-V234 HydrophobicContact CE1-CG1 3.95Å; F215-P235 HydrophobicContact CD2-CG 3.99Å; F215-P235 HydrophobicContact CE1-CG 4.48Å; F215-P235 HydrophobicContact CE2-CG 3.71Å; F215-P235 HydrophobicContact CG-CG 4.49Å; F215-P235 HydrophobicContact CZ-CG 3.99Å; F215-V236 HydrophobicContact CZ-CB 3.96Å; F215-V236 HydrophobicContact CZ-CG2 4.14Å; F215-I241 HydrophobicContact CE1-CD1 4.45Å
216T97.4Very high94.5Very high4 Ų438.2 Ų38.23%0.02520%0.201CC..EExtended strand (participates in β ladder)trans-133.9114.4174.4-57.60000109.9W104 W201 D202 K203 K232 E233W104-T216 HydrophobicContact CH2-CG2 4.15Å; W201-T216 WeakPolarHBondContact O-CA 3.37Å; D202-T216 WeakPolarHBondContact OD1-CG2 3.4Å; K203-T216 PolarHBondContact N-OG1 3.45Å; T216-K232 HydrophobicContact CG2-CB 4.09Å; T216-K232 HydrophobicContact CG2-CD 4.25Å; T216-K232 WeakPolarHBondContact O-CB 3.35Å; T216-K232 PolarHBondContact O-N 2.65Å; T216-E233 PolarHBondContact N-O 3.17Å; T216-E233 PolarHBondContact O-N 2.93Å
217F97.9Very high94.7Very high0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-149.9161.7-178.658.7-87.3000111.4P173 L174 F178 W201 V204 F215 N230 Y231P173-F217 HydrophobicContact CB-CD2 4.02Å; P173-F217 HydrophobicContact CB-CE2 4.43Å; P173-F217 HydrophobicContact CG-CD2 3.91Å; P173-F217 HydrophobicContact CG-CE2 3.92Å; L174-F217 HydrophobicContact CB-CD2 4.38Å; L174-F217 HydrophobicContact CB-CE1 4.34Å; L174-F217 HydrophobicContact CB-CE2 4.06Å; L174-F217 HydrophobicContact CB-CZ 4.04Å; L174-F217 HydrophobicContact CD2-CE1 4.34Å; F178-F217 HydrophobicContact CD2-CE1 4.4Å; F178-F217 HydrophobicContact CD2-CZ 4.13Å; F178-F217 HydrophobicContact CE1-CE1 4.49Å; F178-F217 AromaticContact CE2-CE1 3.73Å; F178-F217 HydrophobicContact CE2-CE1 3.73Å; F178-F217 AromaticContact CE2-CZ 3.67Å; F178-F217 HydrophobicContact CE2-CZ 3.67Å; F178-F217 AromaticContact CZ-CE1 3.8Å; F178-F217 HydrophobicContact CZ-CE1 3.8Å; F178-F217 HydrophobicContact CZ-CZ 4.23Å; W201-F217 HydrophobicContact CB-CD1 4.5Å; W201-F217 HydrophobicContact CB-CD2 4.49Å; W201-F217 HydrophobicContact CB-CE1 4.01Å; W201-F217 HydrophobicContact CB-CE2 4Å; W201-F217 HydrophobicContact CB-CZ 3.74Å; W201-F217 HydrophobicContact CD2-CD2 4.42Å; W201-F217 AromaticContact CD2-CE2 3.7Å; W201-F217 HydrophobicContact CD2-CE2 3.7Å; W201-F217 HydrophobicContact CD2-CZ 4.1Å; W201-F217 AromaticContact CE3-CD2 3.73Å; W201-F217 HydrophobicContact CE3-CD2 3.73Å; W201-F217 AromaticContact CE3-CE2 3.35Å; W201-F217 HydrophobicContact CE3-CE2 3.35Å; W201-F217 HydrophobicContact CE3-CZ 4.2Å; W201-F217 AromaticContact CG-CE2 3.99Å; W201-F217 HydrophobicContact CG-CE2 3.99Å; W201-F217 AromaticContact CG-CZ 3.91Å; W201-F217 HydrophobicContact CG-CZ 3.91Å; W201-F217 HydrophobicContact CZ3-CD2 4.36Å; W201-F217 HydrophobicContact CZ3-CE2 4.03Å; W201-F217 PolarHBondContact N-O 2.99Å; W201-F217 PolarHBondContact O-N 2.88Å; W201-F217 VanDerWaalsContact O-N 3.16Å; V204-F217 HydrophobicContact CG2-CE1 4.02Å; F215-F217 HydrophobicContact CB-CD1 4.18Å; F215-F217 HydrophobicContact CB-CE1 4.12Å; F217-N230 CarbonylContact C-O 3.53Å; F217-N230 WeakPolarHBondContact CA-O 3.48Å; F217-N230 VanDerWaalsContact CB-O 3.29Å; F217-N230 WeakPolarHBondContact CB-O 3.41Å; F217-Y231 HydrophobicContact CB-CD1 3.82Å; F217-Y231 HydrophobicContact CB-CE1 4.35Å
218Q97.6Very high95.1Very high0 Ų035.7 Ų35.70%019%0.19CC..EExtended strand (participates in β ladder)trans-131.3149.9-178.1-68.2-179.2-9.300111.2W104 V105 V198 V199 Q200 F229 N230W104-Q218 HydrophobicContact CE3-CG 4.42Å; W104-Q218 HydrophobicContact CH2-CG 3.61Å; W104-Q218 HydrophobicContact CZ2-CG 4.25Å; W104-Q218 HydrophobicContact CZ3-CB 4.26Å; W104-Q218 HydrophobicContact CZ3-CG 3.7Å; V105-Q218 PolarHBondContact O-NE2 3.05Å; V105-Q218 PolarHBondContact O-OE1 3.45Å; V198-Q218 HydrophobicContact CG1-CB 4.42Å; V198-Q218 HydrophobicContact CG1-CG 4.46Å; V199-Q218 CarbonylContact O-C 3.58Å; V199-Q218 VanDerWaalsContact O-CA 3.23Å; V199-Q218 WeakPolarHBondContact O-CA 3.08Å; Q200-Q218 HydrophobicContact CB-CG 3.71Å; Q200-Q218 HydrophobicContact CG-CG 3.68Å; Q218-F229 WeakPolarHBondContact O-CA 3.49Å; Q218-N230 HydrophobicContact CB-CB 4.44Å; Q218-N230 PolarHBondContact N-O 3Å; Q218-N230 PolarHBondContact O-N 2.8Å
219A98.3Very high95.6Very high0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-117.6132.3157.700000109.1I155 P173 V198 V199 W201 I228 F229I155-A219 HydrophobicContact CD1-CB 4.3Å; P173-A219 HydrophobicContact CB-CB 4.25Å; P173-A219 HydrophobicContact CG-CB 3.82Å; V198-A219 WeakPolarHBondContact CA-O 3.49Å; V199-A219 HydrophobicContact CG1-CB 4.05Å; V199-A219 PolarHBondContact N-O 3.41Å; V199-A219 PolarHBondContact O-N 2.81Å; W201-A219 HydrophobicContact CZ3-CB 4.31Å; A219-I228 CarbonylContact C-O 3.59Å; A219-I228 WeakPolarHBondContact CA-O 3.31Å; A219-F229 HydrophobicContact CB-CD1 4.2Å; A219-F229 HydrophobicContact CB-CE1 4.37Å
220A97.9Very high96.1Very high0 Ų028.1 Ų28.10%015%0.154CC..EExtended strand (participates in β ladder)trans-116.913017400000110L196 F197 V198 I227 I228L196-A220 HydrophobicContact CD1-CB 4.02Å; F197-A220 CarbonylContact O-C 3.47Å; F197-A220 WeakPolarHBondContact O-CA 3.29Å; V198-A220 HydrophobicContact CG2-CB 3.98Å; A220-I227 CarbonylContact O-C 3.52Å; A220-I227 WeakPolarHBondContact O-CA 3.29Å; A220-I228 HydrophobicContact CB-CB 4.24Å; A220-I228 PolarHBondContact N-O 3.5Å; A220-I228 PolarHBondContact O-N 3.5Å
221L98.4Very high96.5Very high0 Ų025.6 Ų25.60%014%0.143CC..EExtended strand (participates in β ladder)trans-110.3116.7176.8-50.4-178.8000108F137 I147 I155 V171 L196 F197 I227F137-L221 HydrophobicContact CD1-CD1 4.36Å; F137-L221 HydrophobicContact CD2-CB 3.99Å; F137-L221 HydrophobicContact CE1-CD1 4.38Å; F137-L221 HydrophobicContact CE1-CD2 4.24Å; F137-L221 HydrophobicContact CE2-CB 3.85Å; F137-L221 HydrophobicContact CE2-CD2 4.43Å; F137-L221 HydrophobicContact CG-CB 4.47Å; F137-L221 HydrophobicContact CZ-CB 4.22Å; F137-L221 HydrophobicContact CZ-CD2 3.98Å; I147-L221 HydrophobicContact CD1-CD1 4.46Å; I155-L221 HydrophobicContact CD1-CD1 4.11Å; I155-L221 HydrophobicContact CD1-CG 4.42Å; V171-L221 HydrophobicContact CG1-CD2 4.23Å; L196-L221 WeakPolarHBondContact CA-O 3.28Å; F197-L221 HydrophobicContact CB-CB 4.35Å; F197-L221 HydrophobicContact CD1-CD1 3.98Å; F197-L221 HydrophobicContact CD1-CG 4.22Å; F197-L221 PolarHBondContact N-O 3.5Å; F197-L221 PolarHBondContact O-N 2.83Å; L221-I227 HydrophobicContact CD2-CG1 4Å; L221-I227 HydrophobicContact CD2-CG2 4.04Å
222H97.9Very high96.8Very high56 Ų5623.4 Ų23.426%0.25913%0.125SC..EExtended strand (participates in β ladder)trans-93.3145.2176.1-72.4-107.1000110.6F137 L196 N224 G225 S226 I228F137-H222 VanDerWaalsContact CD2-O 3.26Å; F137-H222 WeakPolarHBondContact CD2-O 3.29Å; F137-H222 WeakPolarHBondContact CE2-O 3.49Å; L196-H222 WeakPolarHBondContact CD1-NE2 3.19Å; H222-N224 WeakPolarHBondContact CB-OD1 3.4Å; H222-N224 PolarHBondContact O-N 3.21Å; H222-N224 VanDerWaalsContact O-N 3.11Å; H222-G225 WeakPolarHBondContact O-CA 3.42Å; H222-G225 PolarHBondContact O-N 2.92Å; H222-S226 PolarHBondContact N-O 2.79Å; H222-I228 WeakPolarHBondContact NE2-CD1 3.47Å
223S97Very high97.1Very high53 Ų5322.7 Ų22.737%0.37112%0.122SC..THydrogen-bonded Turntrans-58.2-21.2176.449.40000114.7F135 P138 T195 G225F135-S223 VanDerWaalsContact CE2-CA 3.49Å; P138-S223 WeakPolarHBondContact CD-O 3.23Å; T195-S223 WeakPolarHBondContact O-CB 3.41Å; T195-S223 PolarHBondContact O-N 2.83Å; T195-S223 PolarHBondContact O-OG 3.27Å; S223-G225 PolarHBondContact O-N 3.12Å
224N95.9Very high97.3Very high100 Ų10022.6 Ų22.654%0.53512%0.118SC..THydrogen-bonded Turntrans-78.8-2.8172.471.3-15.9000113.7H222 S226H222-N224 WeakPolarHBondContact CB-OD1 3.4Å; H222-N224 PolarHBondContact O-N 3.21Å; H222-N224 VanDerWaalsContact O-N 3.11Å; N224-S226 PolarHBondContact ND2-OG 3.26Å; N224-S226 WeakPolarHBondContact OD1-CB 3.34Å; N224-S226 PolarHBondContact OD1-N 2.91Å; N224-S226 PolarHBondContact OD1-OG 2.81Å
225G96.4Very high97.3Very high0 Ų023.7 Ų23.70%013%0.125CC..SBendtrans92.9-4.3-177.300000115.3H222 S223H222-G225 WeakPolarHBondContact O-CA 3.42Å; H222-G225 PolarHBondContact O-N 2.92Å; S223-G225 PolarHBondContact O-N 3.12Å
226S97.4Very high97.1Very high13 Ų1323.9 Ų23.99%0.09113%0.126CC..  trans-67.4139.8174.3-61.80000110.8H222 N224 F294H222-S226 PolarHBondContact N-O 2.79Å; N224-S226 PolarHBondContact ND2-OG 3.26Å; N224-S226 WeakPolarHBondContact OD1-CB 3.34Å; N224-S226 PolarHBondContact OD1-N 2.91Å; N224-S226 PolarHBondContact OD1-OG 2.81Å; S226-F294 VanDerWaalsContact CA-O 3.29Å; S226-F294 WeakPolarHBondContact CA-O 3.45Å
227I98.5Very high96.9Very high0 Ų026.8 Ų26.80%015%0.145CC..EExtended strand (participates in β ladder)trans-120.2135.1176.4-57.2170000107.8Y88 F137 F139 V171 A220 L221 F229 L252 F294Y88-I227 HydrophobicContact CE1-CD1 4.12Å; F137-I227 HydrophobicContact CE1-CD1 4.42Å; F137-I227 HydrophobicContact CE2-CG1 4.32Å; F137-I227 HydrophobicContact CZ-CD1 3.86Å; F137-I227 HydrophobicContact CZ-CG1 3.61Å; F139-I227 HydrophobicContact CD2-CD1 4.21Å; F139-I227 HydrophobicContact CE2-CD1 4.17Å; V171-I227 HydrophobicContact CG1-CD1 4.49Å; V171-I227 HydrophobicContact CG1-CG2 3.85Å; V171-I227 HydrophobicContact CG2-CD1 4.05Å; A220-I227 CarbonylContact O-C 3.52Å; A220-I227 WeakPolarHBondContact O-CA 3.29Å; L221-I227 HydrophobicContact CD2-CG1 4Å; L221-I227 HydrophobicContact CD2-CG2 4.04Å; I227-F229 HydrophobicContact CG2-CD1 4.02Å; I227-F229 HydrophobicContact CG2-CE1 3.47Å; I227-F229 VanDerWaalsContact CG2-CE1 3.47Å; I227-F229 HydrophobicContact CG2-CZ 4.24Å; I227-L252 HydrophobicContact CD1-CD1 3.96Å; I227-L252 HydrophobicContact CD1-CD2 3.71Å; I227-L252 HydrophobicContact CG2-CD2 4.49Å; I227-F294 HydrophobicContact CB-CB 4.12Å; I227-F294 HydrophobicContact CB-CD2 4.2Å; I227-F294 HydrophobicContact CB-CG 4.49Å; I227-F294 HydrophobicContact CG2-CD2 4.27Å; I227-F294 PolarHBondContact N-O 2.02Å; I227-F294 WeakPolarHBondContact O-CD2 3.23Å; I227-F294 PolarHBondContact O-N 2.99Å
228I97.9Very high96.7Very high8 Ų827.1 Ų27.14%0.04115%0.147CC..EExtended strand (participates in β ladder)trans-124.5129.2178.1-55.2163.6000109L103 A219 A220 H222 N230 F292 E293L103-I228 HydrophobicContact CB-CG2 4.05Å; L103-I228 HydrophobicContact CD1-CG2 4.46Å; L103-I228 HydrophobicContact CD2-CD1 3.72Å; L103-I228 HydrophobicContact CD2-CG1 4.31Å; L103-I228 HydrophobicContact CD2-CG2 4.21Å; L103-I228 HydrophobicContact CG-CG2 4.47Å; A219-I228 CarbonylContact C-O 3.59Å; A219-I228 WeakPolarHBondContact CA-O 3.31Å; A220-I228 HydrophobicContact CB-CB 4.24Å; A220-I228 PolarHBondContact N-O 3.5Å; A220-I228 PolarHBondContact O-N 3.5Å; H222-I228 WeakPolarHBondContact NE2-CD1 3.47Å; I228-N230 WeakPolarHBondContact CG2-ND2 3.41Å; I228-F292 CarbonylContact C-O 3.47Å; I228-F292 VanDerWaalsContact CA-O 3.31Å; I228-F292 WeakPolarHBondContact CA-O 3.32Å; I228-E293 HydrophobicContact CG1-CG 4.43Å
229F98.1Very high96.4Very high0 Ų033.5 Ų33.50%018%0.177CC..EExtended strand (participates in β ladder)trans-103.4129.8167.2-58.8-17.4000108.9V171 A172 P173 Q218 A219 I227 Y231 V250 L252 I281 A291 F292 F294V171-F229 HydrophobicContact CG1-CE1 3.54Å; V171-F229 HydrophobicContact CG1-CZ 3.88Å; A172-F229 WeakPolarHBondContact O-CE2 3.27Å; P173-F229 HydrophobicContact CB-CB 4.15Å; P173-F229 HydrophobicContact CB-CD1 3.69Å; P173-F229 HydrophobicContact CB-CD2 4.23Å; P173-F229 HydrophobicContact CB-CE1 4.12Å; P173-F229 HydrophobicContact CB-CG 3.77Å; Q218-F229 WeakPolarHBondContact O-CA 3.49Å; A219-F229 HydrophobicContact CB-CD1 4.2Å; A219-F229 HydrophobicContact CB-CE1 4.37Å; I227-F229 HydrophobicContact CG2-CD1 4.02Å; I227-F229 HydrophobicContact CG2-CE1 3.47Å; I227-F229 VanDerWaalsContact CG2-CE1 3.47Å; I227-F229 HydrophobicContact CG2-CZ 4.24Å; F229-Y231 HydrophobicContact CB-CE2 4Å; F229-V250 HydrophobicContact CE2-CG1 4.49Å; F229-L252 HydrophobicContact CZ-CD2 3.88Å; F229-I281 HydrophobicContact CD2-CD1 4.3Å; F229-A291 CarbonylContact O-C 3.58Å; F229-A291 WeakPolarHBondContact O-CA 3.27Å; F229-F292 HydrophobicContact CB-CB 4.37Å; F229-F292 PolarHBondContact N-O 2.02Å; F229-F292 PolarHBondContact O-N 3.01Å; F229-F294 HydrophobicContact CD1-CE2 4.26Å; F229-F294 AromaticContact CD2-CE2 3.4Å; F229-F294 HydrophobicContact CD2-CE2 3.4Å; F229-F294 VanDerWaalsContact CD2-CE2 3.4Å; F229-F294 AromaticContact CD2-CZ 3.8Å; F229-F294 HydrophobicContact CD2-CZ 3.8Å; F229-F294 HydrophobicContact CE1-CE2 4.22Å; F229-F294 HydrophobicContact CE2-CD2 4.42Å; F229-F294 AromaticContact CE2-CE2 3.36Å; F229-F294 HydrophobicContact CE2-CE2 3.36Å; F229-F294 AromaticContact CE2-CZ 3.5Å; F229-F294 HydrophobicContact CE2-CZ 3.5Å; F229-F294 VanDerWaalsContact CE2-CZ 3.5Å; F229-F294 AromaticContact CG-CE2 3.87Å; F229-F294 HydrophobicContact CG-CE2 3.87Å; F229-F294 HydrophobicContact CZ-CD2 4.48Å; F229-F294 AromaticContact CZ-CE2 3.79Å; F229-F294 HydrophobicContact CZ-CE2 3.79Å; F229-F294 HydrophobicContact CZ-CZ 4.16Å
230N97.1Very high96Very high2 Ų240.2 Ų40.21%0.01121%0.206CC..EExtended strand (participates in β ladder)trans-126.1135174.8-68.3-72000110.7L103 W104 F217 Q218 I228 A291L103-N230 WeakPolarHBondContact CB-OD1 3.47Å; L103-N230 PolarHBondContact O-ND2 2.8Å; W104-N230 HydrophobicContact CE3-CB 3.65Å; W104-N230 HydrophobicContact CZ3-CB 3.97Å; F217-N230 CarbonylContact C-O 3.53Å; F217-N230 WeakPolarHBondContact CA-O 3.48Å; F217-N230 VanDerWaalsContact CB-O 3.29Å; F217-N230 WeakPolarHBondContact CB-O 3.41Å; Q218-N230 HydrophobicContact CB-CB 4.44Å; Q218-N230 PolarHBondContact N-O 3Å; Q218-N230 PolarHBondContact O-N 2.8Å; I228-N230 WeakPolarHBondContact CG2-ND2 3.41Å; N230-A291 WeakPolarHBondContact OD1-CB 3.41Å
231Y97.3Very high95.7Very high3 Ų341 Ų411%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-118.1106.8-178.2-57.1-80.9000109.6P173 L174 F217 F229 V234 I286 G289 S290 F292P173-Y231 VanDerWaalsContact O-CE1 3.29Å; P173-Y231 WeakPolarHBondContact O-CE1 3.44Å; P173-Y231 VanDerWaalsContact O-CZ 3.29Å; P173-Y231 PolarHBondContact O-OH 3.5Å; L174-Y231 HydrophobicContact CB-CE1 4.36Å; F217-Y231 HydrophobicContact CB-CD1 3.82Å; F217-Y231 HydrophobicContact CB-CE1 4.35Å; F229-Y231 HydrophobicContact CB-CE2 4Å; Y231-V234 HydrophobicContact CD1-CG2 4Å; Y231-V234 HydrophobicContact CG-CG2 4.23Å; Y231-I286 HydrophobicContact CD1-CG2 3.71Å; Y231-I286 HydrophobicContact CD2-CG2 4Å; Y231-I286 HydrophobicContact CE1-CG2 3.68Å; Y231-I286 HydrophobicContact CE2-CG1 4.29Å; Y231-I286 HydrophobicContact CE2-CG2 3.96Å; Y231-I286 HydrophobicContact CG-CG2 3.87Å; Y231-G289 VanDerWaalsContact O-CA 3.27Å; Y231-G289 WeakPolarHBondContact O-CA 2.96Å; Y231-G289 PolarHBondContact O-N 3.44Å; Y231-S290 WeakPolarHBondContact CD2-OG 3.05Å; Y231-S290 PolarHBondContact N-O 3.16Å; Y231-S290 PolarHBondContact O-N 3.36Å; Y231-F292 HydrophobicContact CD2-CD2 4.21Å; Y231-F292 HydrophobicContact CD2-CE2 4.2Å; Y231-F292 AromaticContact CE2-CD2 3.58Å; Y231-F292 HydrophobicContact CE2-CD2 3.58Å; Y231-F292 AromaticContact CE2-CE2 3.7Å; Y231-F292 HydrophobicContact CE2-CE2 3.7Å
232K95.7Very high95.2Very high118 Ų11845 Ų4551%0.51323%0.232SC..EExtended strand (participates in β ladder)trans-85.3-46.9178.6-176.2169.8-176.3170.20111.4W104 T216W104-K232 HydrophobicContact CE3-CB 4.38Å; W104-K232 HydrophobicContact CH2-CB 3.68Å; W104-K232 HydrophobicContact CH2-CD 3.85Å; W104-K232 HydrophobicContact CH2-CG 4.41Å; W104-K232 HydrophobicContact CZ2-CB 4.38Å; W104-K232 HydrophobicContact CZ2-CD 3.71Å; W104-K232 HydrophobicContact CZ3-CB 3.68Å; W104-K232 HydrophobicContact CZ3-CD 4.47Å; T216-K232 HydrophobicContact CG2-CB 4.09Å; T216-K232 HydrophobicContact CG2-CD 4.25Å; T216-K232 WeakPolarHBondContact O-CB 3.35Å; T216-K232 PolarHBondContact O-N 2.65Å
233E96.3Very high94.6Very high74 Ų7446.1 Ų46.135%0.34625%0.246SC..EExtended strand (participates in β ladder)trans-137.1116.3-177.9-166.3175.1-176.900109.5P214 F215 T216P214-E233 WeakPolarHBondContact O-CG 3.36Å; F215-E233 WeakPolarHBondContact CA-O 3.2Å; T216-E233 PolarHBondContact N-O 3.17Å; T216-E233 PolarHBondContact O-N 2.93Å
234V96.6Very high93.9Very high13 Ų1348 Ų488%0.07926%0.255CS..  trans-133.188178.4-178.20000107F215 Y231 V236 I286 S288F215-V234 HydrophobicContact CD1-CG1 4.31Å; F215-V234 HydrophobicContact CE1-CG1 3.95Å; Y231-V234 HydrophobicContact CD1-CG2 4Å; Y231-V234 HydrophobicContact CG-CG2 4.23Å; V234-V236 VanDerWaalsContact C-N 3.31Å; V234-V236 WeakPolarHBondContact CG1-O 3.43Å; V234-V236 PolarHBondContact O-N 2.94Å; V234-I286 HydrophobicContact CG2-CG2 4.42Å; V234-S288 PolarHBondContact N-OG 3.42Å; V234-S288 PolarHBondContact O-OG 2.73Å
235P95.8Very high93.2Very high52 Ų5247.1 Ų47.134%0.33825%0.248SC..  trans-73.9-23.6-172.127.3-34.1000113.2E212 P214 F215E212-P235 WeakPolarHBondContact O-CB 3.17Å; P214-P235 WeakPolarHBondContact O-CD 3.32Å; F215-P235 HydrophobicContact CD2-CG 3.99Å; F215-P235 HydrophobicContact CE1-CG 4.48Å; F215-P235 HydrophobicContact CE2-CG 3.71Å; F215-P235 HydrophobicContact CG-CG 4.49Å; F215-P235 HydrophobicContact CZ-CG 3.99Å
236V93.9Very high92.6Very high5 Ų547.5 Ų47.53%0.0325%0.25CC..SBendtrans-121.1132.1-179.2-170.40000109.3E212 F215 V234 V238 K240E212-V236 HydrophobicContact CB-CG2 3.71Å; E212-V236 HydrophobicContact CG-CG2 4.5Å; E212-V236 WeakPolarHBondContact OE2-CG2 3.45Å; F215-V236 HydrophobicContact CZ-CB 3.96Å; F215-V236 HydrophobicContact CZ-CG2 4.14Å; V234-V236 VanDerWaalsContact C-N 3.31Å; V234-V236 WeakPolarHBondContact CG1-O 3.43Å; V234-V236 PolarHBondContact O-N 2.94Å; V236-V238 PolarHBondContact O-N 3.5Å; V236-K240 HydrophobicContact CG1-CB 4.01Å
237P93.6Very high92.1Very high66 Ų6648.3 Ų48.343%0.42926%0.255SS..  trans-56137.4172-23.832.9000111.7E239 K240P237-E239 PolarHBondContact O-N 3.3Å; P237-K240 HydrophobicContact CB-CG 4.46Å; P237-K240 HydrophobicContact CG-CD 4.33Å; P237-K240 PolarHBondContact O-N 3.48Å
238V93.1Very high91.8Very high6 Ų650.1 Ų50.14%0.03627%0.266CS..G310 helixtrans-58.1-35.8-175.2177.10000112.2L174 V236 K240 I241 V248 V250 T283 I286L174-V238 HydrophobicContact CD1-CG1 3.98Å; L174-V238 HydrophobicContact CD1-CG2 3.91Å; V236-V238 PolarHBondContact O-N 3.5Å; V238-K240 PolarHBondContact O-N 3.06Å; V238-K240 VanDerWaalsContact O-N 3.13Å; V238-I241 HydrophobicContact CB-CD1 4.49Å; V238-I241 HydrophobicContact CG1-CD1 4.48Å; V238-I241 WeakPolarHBondContact O-CB 3.36Å; V238-I241 WeakPolarHBondContact O-CG1 3.35Å; V238-I241 PolarHBondContact O-N 3.05Å; V238-V248 HydrophobicContact CG1-CG1 3.92Å; V238-V250 HydrophobicContact CG1-CG2 4.24Å; V238-T283 HydrophobicContact CG1-CG2 3.91Å; V238-I286 HydrophobicContact CG2-CB 4Å; V238-I286 HydrophobicContact CG2-CD1 4.09Å; V238-I286 HydrophobicContact CG2-CG2 3.89Å
239E91.1Very high91.5Very high134 Ų13452.4 Ų52.463%0.62628%0.275SS*.G310 helixtrans-59.8-23.4176.9-57.7-176.9154.200114.3P237 T284P237-E239 PolarHBondContact O-N 3.3Å; E239-T284 WeakPolarHBondContact OE1-CG2 3.44Å
240K90.9Very high91.4Very high141 Ų14152.8 Ų52.861%0.61328%0.278SS*.G310 helixtrans-91.4-4.5-179.4-63.7-174.2-179.3178.60112.6R209 V236 P237 V238R209-K240 PolarHBondContact NH1-O 2.99Å; V236-K240 HydrophobicContact CG1-CB 4.01Å; P237-K240 HydrophobicContact CB-CG 4.46Å; P237-K240 HydrophobicContact CG-CD 4.33Å; P237-K240 PolarHBondContact O-N 3.48Å; V238-K240 PolarHBondContact O-N 3.06Å; V238-K240 VanDerWaalsContact O-N 3.13Å
241I91Very high91.3Very high16 Ų1652.7 Ų52.78%0.08228%0.277CS..SBendtrans-75.9136-178.7-57.5177.2000109A176 L206 F215 V238 V248A176-I241 HydrophobicContact CB-CG2 4.14Å; L206-I241 HydrophobicContact CD1-CD1 4.03Å; L206-I241 HydrophobicContact CD1-CG1 3.91Å; L206-I241 HydrophobicContact CD1-CG2 4.08Å; L206-I241 HydrophobicContact CD2-CG2 4Å; F215-I241 HydrophobicContact CE1-CD1 4.45Å; V238-I241 HydrophobicContact CB-CD1 4.49Å; V238-I241 HydrophobicContact CG1-CD1 4.48Å; V238-I241 WeakPolarHBondContact O-CB 3.36Å; V238-I241 WeakPolarHBondContact O-CG1 3.35Å; V238-I241 PolarHBondContact O-N 3.05Å; I241-V248 HydrophobicContact CB-CG1 4.46Å; I241-V248 HydrophobicContact CB-CG2 4.07Å; I241-V248 HydrophobicContact CG2-CG2 3.64Å
242N87.6Confident91.2Very high85 Ų8552.6 Ų52.646%0.45528%0.277SS..  trans-72.6131.6-179-172.84.7000111.2T244N242-T244 PolarHBondContact ND2-OG1 3.2Å; N242-T244 WeakPolarHBondContact OD1-CG2 3.44Å; N242-T244 PolarHBondContact OD1-N 3.12Å; N242-T244 PolarHBondContact OD1-OG1 3.23Å
243S85.6Confident91.1Very high79 Ų7947 Ų4755%0.55225%0.252SS*.  trans-103.71.2178.659.20000114.7H246S243-H246 CarbonylContact C-O 3.47Å; S243-H246 VanDerWaalsContact CA-O 3.27Å; S243-H246 WeakPolarHBondContact CA-O 3.34Å
244T83.1Confident90.9Very high94 Ų9443.4 Ų43.458%0.57724%0.236SC*.SBendtrans-70.7-42.4-173.357.80000114.1N242N242-T244 PolarHBondContact ND2-OG1 3.2Å; N242-T244 WeakPolarHBondContact OD1-CG2 3.44Å; N242-T244 PolarHBondContact OD1-N 3.12Å; N242-T244 PolarHBondContact OD1-OG1 3.23Å
245E79.5Confident90.6Very high80 Ų8042.8 Ų42.837%0.37423%0.232SC..SBendtrans-89.9-23.8-178.9-65-160.3160.600113.1R126 N177 K207R126-E245 PolarHBondContact NH2-O 3.21Å; N177-E245 PolarHBondContact ND2-OE2 3.39Å; N177-E245 VanDerWaalsContact ND2-OE2 3.16Å; K207-E245 IonicContact NZ-OE1 3.5Å; K207-E245 IonicContact NZ-OE2 3.09Å; K207-E245 PolarHBondContact NZ-OE2 2.96Å
246H83.8Confident90.3Very high8 Ų840.6 Ų40.64%0.03722%0.217CC..SBendtrans-153.9135.7-176.1-169.1-75.1000108.9N177 S243 F475N177-H246 HydrophobicContact CB-CB 3.71Å; S243-H246 CarbonylContact C-O 3.47Å; S243-H246 VanDerWaalsContact CA-O 3.27Å; S243-H246 WeakPolarHBondContact CA-O 3.34Å; H246-F475 AromaticContact NE2-CE2 3.26Å; H246-F475 VanDerWaalsContact NE2-CE2 3.26Å; H246-F475 WeakPolarHBondContact NE2-CE2 3.19Å; H246-F475 AromaticContact NE2-CZ 3.28Å; H246-F475 VanDerWaalsContact NE2-CZ 3.28Å; H246-F475 WeakPolarHBondContact NE2-CZ 3.49Å
247P87.9Confident89.8Confident30 Ų3042.4 Ų42.420%0.19523%0.226CC..  trans-61.3143.4178.425.2-34.3000111.5T166 M175 K249T166-P247 HydrophobicContact CG2-CG 4.23Å; M175-P247 HydrophobicContact SD-CG 4.21Å; P247-K249 HydrophobicContact CB-CG 4.36Å
248V91.5Very high89.2Confident39 Ų3939.4 Ų39.424%0.23621%0.207CC..  trans-104.5113.7169.8-178.20000107.8M175 A176 V238 I241M175-V248 VanDerWaalsContact O-CA 3.23Å; M175-V248 WeakPolarHBondContact O-CA 3.47Å; A176-V248 HydrophobicContact CB-CG2 4.5Å; V238-V248 HydrophobicContact CG1-CG1 3.92Å; I241-V248 HydrophobicContact CB-CG1 4.46Å; I241-V248 HydrophobicContact CB-CG2 4.07Å; I241-V248 HydrophobicContact CG2-CG2 3.64Å
249K92.9Very high88.5Confident55 Ų5543 Ų4324%0.23923%0.225CC..EExtended strand (participates in β ladder)trans-138.2143.4-177.6-61.4-179.6-178.5176.60110.2T166 A167 Y170 M175 P247T166-K249 PolarHBondContact O-NZ 2.81Å; A167-K249 PolarHBondContact O-NZ 3.05Å; Y170-K249 HydrophobicContact CE1-CD 3.85Å; M175-K249 HydrophobicContact CB-CB 4.12Å; M175-K249 VanDerWaalsContact CB-O 3.31Å; M175-K249 WeakPolarHBondContact CB-O 3.21Å; M175-K249 PolarHBondContact N-O 3.01Å; M175-K249 PolarHBondContact O-N 2.55Å; M175-K249 VanDerWaalsContact O-N 3.1Å; M175-K249 HydrophobicContact SD-CB 4.16Å; M175-K249 HydrophobicContact SD-CD 3.99Å; M175-K249 HydrophobicContact SD-CG 4.29Å; P247-K249 HydrophobicContact CB-CG 4.36Å
250V94.3Very high87.5Confident9 Ų940.1 Ų40.16%0.05521%0.214CC..EExtended strand (participates in β ladder)trans-137.2129.6172.6-168.10000109.8A172 P173 L174 F229 V238 I281 T283 I286A172-V250 WeakPolarHBondContact O-CA 3.46Å; P173-V250 WeakPolarHBondContact O-CG1 3.36Å; L174-V250 HydrophobicContact CD1-CG2 3.73Å; F229-V250 HydrophobicContact CE2-CG1 4.49Å; V238-V250 HydrophobicContact CG1-CG2 4.24Å; V250-I281 HydrophobicContact CB-CD1 4.37Å; V250-I281 HydrophobicContact CB-CG1 4.03Å; V250-I281 HydrophobicContact CG1-CD1 3.38Å; V250-I281 HydrophobicContact CG1-CG1 3.56Å; V250-T283 HydrophobicContact CG2-CG2 4.3Å; V250-I286 HydrophobicContact CB-CD1 4.1Å; V250-I286 HydrophobicContact CG1-CD1 3.75Å; V250-I286 HydrophobicContact CG2-CD1 3.81Å
251G95.1Very high86.3Confident0 Ų038.9 Ų38.90%022%0.22CC..EExtended strand (participates in β ladder)trans126.9-148.6-179.800000113.2A172 V279A172-G251 PolarHBondContact N-O 3.13Å; A172-G251 PolarHBondContact O-N 3Å; G251-V279 CarbonylContact C-O 3.46Å; G251-V279 VanDerWaalsContact CA-O 3.27Å; G251-V279 WeakPolarHBondContact CA-O 3.46Å
252L95.6Very high84.7Confident0 Ų039.1 Ų39.10%022%0.224CC..EExtended strand (participates in β ladder)trans-124.8145.7-172.5-48.6177.2000109.8Y88 Y140 Y170 V171 I227 F229 R278 V279 F294Y88-L252 HydrophobicContact CD1-CD1 4.06Å; Y88-L252 HydrophobicContact CD2-CD1 3.81Å; Y88-L252 HydrophobicContact CE1-CD1 4.36Å; Y88-L252 HydrophobicContact CE2-CD1 4.12Å; Y88-L252 HydrophobicContact CG-CD1 3.78Å; Y140-L252 HydrophobicContact CE2-CB 4.37Å; Y170-L252 WeakPolarHBondContact O-CA 3.41Å; V171-L252 HydrophobicContact CB-CD2 4.21Å; V171-L252 HydrophobicContact CG1-CD2 3.92Å; V171-L252 HydrophobicContact CG2-CD2 3.99Å; I227-L252 HydrophobicContact CD1-CD1 3.96Å; I227-L252 HydrophobicContact CD1-CD2 3.71Å; I227-L252 HydrophobicContact CG2-CD2 4.49Å; F229-L252 HydrophobicContact CZ-CD2 3.88Å; L252-R278 CarbonylContact O-C 3.52Å; L252-R278 WeakPolarHBondContact O-CA 3.28Å; L252-R278 WeakPolarHBondContact O-CG 3Å; L252-V279 HydrophobicContact CB-CB 4.1Å; L252-V279 HydrophobicContact CB-CG2 4.29Å; L252-V279 HydrophobicContact CD1-CG2 4.42Å; L252-V279 HydrophobicContact CG-CB 4.39Å; L252-V279 PolarHBondContact N-O 2.85Å; L252-V279 PolarHBondContact O-N 3.34Å; L252-F294 HydrophobicContact CD1-CB 4.28Å; L252-F294 HydrophobicContact CD1-CD1 3.71Å; L252-F294 HydrophobicContact CD1-CE1 4.28Å; L252-F294 HydrophobicContact CD1-CG 4.03Å; L252-F294 HydrophobicContact CG-CD1 4.17Å; L252-F294 HydrophobicContact CG-CE1 4.25Å
253S93.4Very high83.2Confident0 Ų039.1 Ų39.10%023%0.231CC..EExtended strand (participates in β ladder)trans-144.1142.4171.5168.10000109.6Q169 Y170 E275 H277Q169-S253 CarbonylContact C-O 3.55Å; Q169-S253 WeakPolarHBondContact CA-O 3.49Å; Y170-S253 VanDerWaalsContact CZ-CB 3.42Å; Y170-S253 PolarHBondContact N-O 2.91Å; Y170-S253 PolarHBondContact O-N 3.17Å; S253-E275 WeakPolarHBondContact CB-OE2 3.49Å; S253-E275 PolarHBondContact OG-OE2 2.91Å; S253-H277 WeakPolarHBondContact CA-O 3.44Å
254D92.9Very high81.8Confident0 Ų045.3 Ų45.30%025%0.251CS..EExtended strand (participates in β ladder)trans-135.4154.1165.8-152.79.6000111.9F139 Y140 Q169 Y276 H277 R333F139-D254 HydrophobicContact CE1-CB 4.16Å; Y140-D254 WeakPolarHBondContact CB-OD2 3.33Å; Y140-D254 HydrophobicContact CD1-CB 3.94Å; Y140-D254 HydrophobicContact CD2-CB 3.61Å; Y140-D254 HydrophobicContact CE1-CB 4.15Å; Y140-D254 HydrophobicContact CE2-CB 3.8Å; Y140-D254 HydrophobicContact CG-CB 3.68Å; Q169-D254 WeakPolarHBondContact CG-OD1 3.34Å; Q169-D254 PolarHBondContact NE2-OD1 3.42Å; Q169-D254 VanDerWaalsContact NE2-OD1 3.16Å; D254-Y276 HydrophobicContact CB-CE1 4.06Å; D254-Y276 HydrophobicContact CB-CE2 4.42Å; D254-Y276 WeakPolarHBondContact CB-OH 3.4Å; D254-Y276 VanDerWaalsContact CG-OH 3.31Å; D254-Y276 PolarHBondContact O-N 3.25Å; D254-Y276 PolarHBondContact OD2-OH 3.22Å; D254-H277 PolarHBondContact N-O 3.49Å; D254-R333 IonicContact OD1-CZ 3.17Å; D254-R333 IonicContact OD1-NE 3.65Å; D254-R333 PolarHBondContact OD1-NE 3.12Å; D254-R333 VanDerWaalsContact OD1-NE 3.12Å; D254-R333 IonicContact OD1-NH2 2.8Å; D254-R333 PolarHBondContact OD1-NH2 2.83Å; D254-R333 IonicContact OD2-CZ 3.76Å; D254-R333 IonicContact OD2-NE 3.41Å; D254-R333 PolarHBondContact OD2-NE 2.96Å; D254-R333 IonicContact OD2-NH2 2.65Å; D254-R333 PolarHBondContact OD2-NH2 3.19Å
255A90.8Very high80.5Confident0 Ų048.9 Ų48.90%027%0.265CS..EExtended strand (participates in β ladder)trans-149.2161.8-169.500000111.2T168 Q169 I273 Y274T168-A255 HydrophobicContact CG2-CB 3.97Å; Q169-A255 HydrophobicContact CG-CB 3.87Å; Q169-A255 PolarHBondContact NE2-O 2.97Å; A255-I273 HydrophobicContact CB-CG2 3.65Å; A255-Y274 CarbonylContact C-O 3.55Å; A255-Y274 WeakPolarHBondContact CA-O 3.19Å; A255-Y274 WeakPolarHBondContact CB-O 3.26Å
256F87.9Confident79.3Confident5 Ų547.8 Ų47.82%0.02227%0.267CS..EExtended strand (participates in β ladder)trans-119.2153.9168.869-91.9000110.4A258 Y274 Y276 D332 R335 Y462F256-A258 HydrophobicContact CE2-CB 4.37Å; F256-Y274 HydrophobicContact CD2-CD2 4.32Å; F256-Y274 HydrophobicContact CE1-CG 4.43Å; F256-Y274 AromaticContact CE2-CD2 3.62Å; F256-Y274 HydrophobicContact CE2-CD2 3.62Å; F256-Y274 AromaticContact CE2-CG 3.95Å; F256-Y274 HydrophobicContact CE2-CG 3.95Å; F256-Y274 AromaticContact CZ-CD2 3.92Å; F256-Y274 HydrophobicContact CZ-CD2 3.92Å; F256-Y274 AromaticContact CZ-CG 3.76Å; F256-Y274 HydrophobicContact CZ-CG 3.76Å; F256-Y274 PolarHBondContact N-O 3.16Å; F256-Y274 PolarHBondContact O-N 3.12Å; F256-Y276 AromaticContact CD1-CD1 3.96Å; F256-Y276 HydrophobicContact CD1-CD1 3.96Å; F256-D332 WeakPolarHBondContact CB-O 3.42Å; F256-R335 HydrophobicContact CD1-CB 4.38Å; F256-R335 HydrophobicContact CD2-CB 4.24Å; F256-R335 HydrophobicContact CG-CB 4.13Å; F256-Y462 HydrophobicContact CE1-CD2 4.36Å; F256-Y462 HydrophobicContact CE1-CG 4.23Å; F256-Y462 HydrophobicContact CZ-CD2 4.18Å; F256-Y462 HydrophobicContact CZ-CE2 4.24Å; F256-Y462 HydrophobicContact CZ-CG 4.44Å
257M83.3Confident78Confident43 Ų4355.9 Ų55.921%0.21231%0.311CS..EExtended strand (participates in β ladder)trans-100.1129.7174.5-79.1169.3-75.100109.6I160 T272 I273I160-M257 HydrophobicContact CB-CE 3.95Å; I160-M257 HydrophobicContact CB-SD 4.28Å; I160-M257 HydrophobicContact CD1-CE 3.72Å; I160-M257 HydrophobicContact CD1-SD 4.17Å; I160-M257 HydrophobicContact CG1-CE 4.13Å; M257-T272 WeakPolarHBondContact CA-O 3.49Å; M257-I273 HydrophobicContact CG-CG1 3.96Å
258A81.8Confident76.6Confident4 Ų457.4 Ų57.43%0.03333%0.325CS..EExtended strand (participates in β ladder)trans-109.5141.3167.300000109.8F256 T272 Y274F256-A258 HydrophobicContact CE2-CB 4.37Å; A258-T272 PolarHBondContact N-O 3.22Å; A258-T272 PolarHBondContact O-N 3.25Å; A258-Y274 HydrophobicContact CB-CD2 4.01Å; A258-Y274 HydrophobicContact CB-CE2 3.7Å
259I78.3Confident75.4Confident81 Ų8163.3 Ų63.342%0.41535%0.348SS..EExtended strand (participates in β ladder)trans-99.5106.2172.6-61.5169.8000107.2K269 Q270 R271I259-K269 HydrophobicContact CG2-CB 3.71Å; I259-K269 HydrophobicContact CG2-CD 4.04Å; I259-K269 HydrophobicContact CG2-CG 4.01Å; I259-Q270 WeakPolarHBondContact CA-O 3.36Å; I259-R271 HydrophobicContact CG1-CG 4.23Å
260L70Confident74.4Confident74 Ų7465.4 Ų65.439%0.38736%0.358SS..EExtended strand (participates in β ladder)trans-92.5137.2174.1-63.7174.7000109.1A262 Q270L260-A262 PolarHBondContact O-N 2.03Å; L260-A262 VanDerWaalsContact O-N 3.12Å; L260-Q270 PolarHBondContact N-O 3.09Å; L260-Q270 PolarHBondContact O-N 2.92Å
261P65.7Low73.5Confident115 Ų11571.9 Ų71.975%0.74738%0.382SS*.EExtended strand (participates in β ladder)trans-61.1118.5167.624.7-29.5000107.4
262A57.4Low72.8Confident20 Ų2072.3 Ų72.317%0.16538%0.384CS..PPolyproline II helixtrans-60.2153.3168.800000108L260 A268 Q270L260-A262 PolarHBondContact O-N 2.03Å; L260-A262 VanDerWaalsContact O-N 3.12Å; A262-A268 WeakPolarHBondContact CB-O 3.37Å; A262-A268 PolarHBondContact N-O 3.05Å; A262-Q270 HydrophobicContact CB-CB 4.44Å
263S56Low72.1Confident86 Ų8673.3 Ų73.360%0.60139%0.39SS*.  trans-40.9151-179.656.70000112.7L265 S266S263-L265 PolarHBondContact O-N 2.81Å; S263-S266 PolarHBondContact O-N 2.97Å; S263-S266 VanDerWaalsContact O-N 3.11Å
264Q56.1Low71.7Confident209 Ų20974.9 Ų74.998%0.97740%0.396SS*.THydrogen-bonded Turntrans-52.22-170.3-63.4-175.5-400117.1
265L56.3Low71.5Confident168 Ų16875.6 Ų75.688%0.8840%0.399SS*.THydrogen-bonded Turntrans-104.5-4.3-178.9-72.6125.5000114.2S263S263-L265 PolarHBondContact O-N 2.81Å
266S54.4Low71.4Confident58 Ų5876 Ų7641%0.40640%0.401SS..  trans-144.5130.8174.962.50000112.5S263 A268S263-S266 PolarHBondContact O-N 2.97Å; S263-S266 VanDerWaalsContact O-N 3.11Å; S266-A268 PolarHBondContact O-N 3.31Å
267D56.3Low71.5Confident178 Ų17875.9 Ų75.995%0.95240%0.4SS*.  trans-65.57.8168.8-86-28.3000113.7K269D267-K269 PolarHBondContact O-N 3.23Å
268A58.9Low71.9Confident61 Ų6175.7 Ų75.750%0.50440%0.397SS..  trans-70.9115.9177.200000109.7A262 S266 Q270A262-A268 WeakPolarHBondContact CB-O 3.37Å; A262-A268 PolarHBondContact N-O 3.05Å; S266-A268 PolarHBondContact O-N 3.31Å; A268-Q270 PolarHBondContact O-N 3.24Å
269K66Low72.4Confident164 Ų16475.5 Ų75.571%0.71340%0.396SS*.EExtended strand (participates in β ladder)trans-73.9113.5169-74.3179.5178.3-1740108.7I259 D267I259-K269 HydrophobicContact CG2-CB 3.71Å; I259-K269 HydrophobicContact CG2-CD 4.04Å; I259-K269 HydrophobicContact CG2-CG 4.01Å; D267-K269 PolarHBondContact O-N 3.23Å
270Q71.4Confident72.9Confident98 Ų9876.3 Ų76.346%0.45840%0.398SS..EExtended strand (participates in β ladder)trans-82.9124.4175.7-175.1169.3-2.300109I259 L260 A262 A268I259-Q270 WeakPolarHBondContact CA-O 3.36Å; L260-Q270 PolarHBondContact N-O 3.09Å; L260-Q270 PolarHBondContact O-N 2.92Å; A262-Q270 HydrophobicContact CB-CB 4.44Å; A268-Q270 PolarHBondContact O-N 3.24Å
271R76.3Confident73.8Confident145 Ų14573.2 Ų73.255%0.54738%0.381SS..EExtended strand (participates in β ladder)trans-92.8120.3172.6-64.4-177.5-177.9-155.60.7108I259I259-R271 HydrophobicContact CG1-CG 4.23Å
272T79.6Confident74.9Confident9 Ų970.8 Ų70.86%0.05536%0.362CS..EExtended strand (participates in β ladder)trans-113.8136.1174.9-58.20000108.7M257 A258 Y274 E464M257-T272 WeakPolarHBondContact CA-O 3.49Å; A258-T272 PolarHBondContact N-O 3.22Å; A258-T272 PolarHBondContact O-N 3.25Å; T272-Y274 HydrophobicContact CG2-CD2 4.3Å; T272-Y274 HydrophobicContact CG2-CE1 4.23Å; T272-Y274 HydrophobicContact CG2-CE2 3.63Å; T272-E464 HydrophobicContact CG2-CG 3.71Å; T272-E464 WeakPolarHBondContact CG2-OE1 3.28Å
273I80.8Confident76.5Confident22 Ų2272 Ų7211%0.11337%0.367CS..EExtended strand (participates in β ladder)trans-100.8132.1178.7-48.7176.7000108.4H162 T168 A255 M257 V465H162-I273 WeakPolarHBondContact NE2-CD1 3.44Å; T168-I273 HydrophobicContact CG2-CB 4.35Å; T168-I273 HydrophobicContact CG2-CG2 3.58Å; A255-I273 HydrophobicContact CB-CG2 3.65Å; M257-I273 HydrophobicContact CG-CG1 3.96Å; I273-V465 PolarHBondContact O-N 3.31Å
274Y85.3Confident78.2Confident33 Ų3371.5 Ų71.513%0.12936%0.361CS..EExtended strand (participates in β ladder)trans-117.3114.6178.4-67.6-82.6000109.5A255 F256 A258 T272 Y462 A463 E464A255-Y274 CarbonylContact C-O 3.55Å; A255-Y274 WeakPolarHBondContact CA-O 3.19Å; A255-Y274 WeakPolarHBondContact CB-O 3.26Å; F256-Y274 HydrophobicContact CD2-CD2 4.32Å; F256-Y274 HydrophobicContact CE1-CG 4.43Å; F256-Y274 AromaticContact CE2-CD2 3.62Å; F256-Y274 HydrophobicContact CE2-CD2 3.62Å; F256-Y274 AromaticContact CE2-CG 3.95Å; F256-Y274 HydrophobicContact CE2-CG 3.95Å; F256-Y274 AromaticContact CZ-CD2 3.92Å; F256-Y274 HydrophobicContact CZ-CD2 3.92Å; F256-Y274 AromaticContact CZ-CG 3.76Å; F256-Y274 HydrophobicContact CZ-CG 3.76Å; F256-Y274 PolarHBondContact N-O 3.16Å; F256-Y274 PolarHBondContact O-N 3.12Å; A258-Y274 HydrophobicContact CB-CD2 4.01Å; A258-Y274 HydrophobicContact CB-CE2 3.7Å; T272-Y274 HydrophobicContact CG2-CD2 4.3Å; T272-Y274 HydrophobicContact CG2-CE1 4.23Å; T272-Y274 HydrophobicContact CG2-CE2 3.63Å; Y274-Y462 AromaticContact CD1-CD2 3.75Å; Y274-Y462 HydrophobicContact CD1-CD2 3.75Å; Y274-Y462 AromaticContact CD1-CE2 3.93Å; Y274-Y462 HydrophobicContact CD1-CE2 3.93Å; Y274-Y462 HydrophobicContact CE1-CE2 4.39Å; Y274-Y462 HydrophobicContact CG-CD2 4.16Å; Y274-Y462 HydrophobicContact CG-CE2 4.4Å; Y274-A463 WeakPolarHBondContact CA-O 3.26Å; Y274-E464 HydrophobicContact CD1-CB 4.04Å; Y274-E464 HydrophobicContact CD1-CG 4.49Å; Y274-E464 HydrophobicContact CE1-CB 3.75Å; Y274-E464 HydrophobicContact CE1-CG 3.99Å
275E88.6Confident79.9Confident15 Ų1565.9 Ų65.97%0.0733%0.333CS..EExtended strand (participates in β ladder)trans-76.4121.2172.8-179.2175.268.300108.4V81 S253 R278 Y462 A463 V465V81-E275 HydrophobicContact CG2-CG 4.31Å; S253-E275 WeakPolarHBondContact CB-OE2 3.49Å; S253-E275 PolarHBondContact OG-OE2 2.91Å; E275-R278 IonicContact OE1-NH1 3.33Å; E275-Y462 CarbonylContact O-C 3.52Å; E275-Y462 VanDerWaalsContact O-CA 3.25Å; E275-Y462 WeakPolarHBondContact O-CA 3.29Å; E275-Y462 VanDerWaalsContact O-CB 3.28Å; E275-Y462 WeakPolarHBondContact O-CB 3.39Å; E275-A463 PolarHBondContact N-O 2.84Å; E275-A463 PolarHBondContact O-N 2.88Å; E275-V465 HydrophobicContact CB-CG2 3.83Å
276Y88.8Confident81.7Confident9 Ų958.1 Ų58.14%0.03529%0.293CS..EExtended strand (participates in β ladder)trans-108-18.3-179.267.5-99.3000113.2Y87 Y140 D254 F256 I331Y87-Y276 HydrophobicContact CE1-CE2 4.34Å; Y87-Y276 HydrophobicContact CE2-CD2 4.24Å; Y87-Y276 AromaticContact CE2-CE2 3.98Å; Y87-Y276 HydrophobicContact CE2-CE2 3.98Å; Y87-Y276 AromaticContact CZ-CE2 3.79Å; Y140-Y276 HydrophobicContact CD1-CE2 4.01Å; Y140-Y276 HydrophobicContact CE1-CE2 4.45Å; D254-Y276 HydrophobicContact CB-CE1 4.06Å; D254-Y276 HydrophobicContact CB-CE2 4.42Å; D254-Y276 WeakPolarHBondContact CB-OH 3.4Å; D254-Y276 VanDerWaalsContact CG-OH 3.31Å; D254-Y276 PolarHBondContact O-N 3.25Å; D254-Y276 PolarHBondContact OD2-OH 3.22Å; F256-Y276 AromaticContact CD1-CD1 3.96Å; F256-Y276 HydrophobicContact CD1-CD1 3.96Å; Y276-I331 HydrophobicContact CD2-CG2 3.98Å; Y276-I331 HydrophobicContact CG-CG2 3.88Å
277H91.3Very high83.7Confident1 Ų158.3 Ų58.31%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-154141.8175.5-169.2-91.5000111.5S84 Y87 Y140 S253 D254S84-H277 PolarHBondContact OG-CD2 2.83Å; S84-H277 VanDerWaalsContact OG-CD2 3.24Å; S84-H277 PolarHBondContact OG-NE2 3.09Å; Y87-H277 HydrophobicContact CD2-CB 3.91Å; Y87-H277 AromaticContact CD2-CD2 3.51Å; Y87-H277 AromaticContact CD2-CG 3.5Å; Y87-H277 AromaticContact CD2-ND1 3.88Å; Y87-H277 AromaticContact CD2-NE2 3.84Å; Y87-H277 HydrophobicContact CE2-CB 3.9Å; Y87-H277 AromaticContact CE2-CD2 3.85Å; Y87-H277 AromaticContact CE2-CG 3.91Å; Y140-H277 HydrophobicContact CD1-CB 4.5Å; Y140-H277 HydrophobicContact CE1-CB 3.66Å; Y140-H277 AromaticContact CE1-CG 3.67Å; Y140-H277 AromaticContact CE1-ND1 3.29Å; Y140-H277 VanDerWaalsContact CE1-ND1 3.29Å; Y140-H277 WeakPolarHBondContact CE1-ND1 3.48Å; Y140-H277 AromaticContact CZ-ND1 3.54Å; Y140-H277 PolarHBondContact OH-ND1 2.88Å; S253-H277 WeakPolarHBondContact CA-O 3.44Å; D254-H277 PolarHBondContact N-O 3.49Å
278R91.4Very high85.6Confident39 Ų3952.5 Ų52.515%0.14726%0.264CS..EExtended strand (participates in β ladder)trans-142.4136.1175.9-170.7176.866.2-170.321.4109.6L252 E275 E280L252-R278 CarbonylContact O-C 3.52Å; L252-R278 WeakPolarHBondContact O-CA 3.28Å; L252-R278 WeakPolarHBondContact O-CG 3Å; E275-R278 IonicContact OE1-NH1 3.33Å; R278-E280 HydrophobicContact CG-CG 3.98Å; R278-E280 IonicContact CZ-OE1 2.63Å; R278-E280 IonicContact CZ-OE2 2.96Å; R278-E280 IonicContact NE-OE1 3.77Å; R278-E280 PolarHBondContact NE-OE1 2.72Å; R278-E280 VanDerWaalsContact NE-OE1 3.09Å; R278-E280 IonicContact NE-OE2 3.77Å; R278-E280 IonicContact NH1-OE1 3.49Å; R278-E280 IonicContact NH2-OE1 3.58Å; R278-E280 PolarHBondContact NH2-OE1 3.31Å; R278-E280 IonicContact NH2-OE2 3.51Å; R278-E280 PolarHBondContact NH2-OE2 2.89Å
279V92.4Very high87.3Confident0 Ų050.8 Ų50.80%025%0.253CS..EExtended strand (participates in β ladder)trans-106.9115.4169.1-176.70000106.5G251 L252 F294G251-V279 CarbonylContact C-O 3.46Å; G251-V279 VanDerWaalsContact CA-O 3.27Å; G251-V279 WeakPolarHBondContact CA-O 3.46Å; L252-V279 HydrophobicContact CB-CB 4.1Å; L252-V279 HydrophobicContact CB-CG2 4.29Å; L252-V279 HydrophobicContact CD1-CG2 4.42Å; L252-V279 HydrophobicContact CG-CB 4.39Å; L252-V279 PolarHBondContact N-O 2.85Å; L252-V279 PolarHBondContact O-N 3.34Å; V279-F294 HydrophobicContact CG1-CD1 4.2Å; V279-F294 HydrophobicContact CG1-CE1 3.78Å
280E88.1Confident88.7Confident98 Ų9843 Ų4346%0.45822%0.219SC..EExtended strand (participates in β ladder)trans-108.4127.8172.6-69.6-175144.700109R278R278-E280 HydrophobicContact CG-CG 3.98Å; R278-E280 IonicContact CZ-OE1 2.63Å; R278-E280 IonicContact CZ-OE2 2.96Å; R278-E280 IonicContact NE-OE1 3.77Å; R278-E280 PolarHBondContact NE-OE1 2.72Å; R278-E280 VanDerWaalsContact NE-OE1 3.09Å; R278-E280 IonicContact NE-OE2 3.77Å; R278-E280 IonicContact NH1-OE1 3.49Å; R278-E280 IonicContact NH2-OE1 3.58Å; R278-E280 PolarHBondContact NH2-OE1 3.31Å; R278-E280 IonicContact NH2-OE2 3.51Å; R278-E280 PolarHBondContact NH2-OE2 2.89Å
281I89.6Confident90Very high9 Ų938.3 Ų38.35%0.04620%0.197CC..  trans-95153.6175.565.6175.7000110.7W90 F229 V250 T283 I286 F292 F294W90-I281 HydrophobicContact CD2-CG2 4.06Å; W90-I281 HydrophobicContact CE3-CG2 4.44Å; W90-I281 HydrophobicContact CG-CG2 4.31Å; F229-I281 HydrophobicContact CD2-CD1 4.3Å; V250-I281 HydrophobicContact CB-CD1 4.37Å; V250-I281 HydrophobicContact CB-CG1 4.03Å; V250-I281 HydrophobicContact CG1-CD1 3.38Å; V250-I281 HydrophobicContact CG1-CG1 3.56Å; I281-T283 PolarHBondContact O-N 3.32Å; I281-I286 HydrophobicContact CD1-CD1 4.08Å; I281-I286 HydrophobicContact CD1-CG1 4.38Å; I281-I286 HydrophobicContact CG1-CD1 4.36Å; I281-F292 HydrophobicContact CB-CD1 4.32Å; I281-F292 HydrophobicContact CB-CE1 4.18Å; I281-F292 HydrophobicContact CD1-CD1 3.77Å; I281-F292 HydrophobicContact CD1-CD2 4.12Å; I281-F292 HydrophobicContact CD1-CE1 3.81Å; I281-F292 HydrophobicContact CD1-CE2 4.17Å; I281-F292 HydrophobicContact CD1-CG 3.92Å; I281-F292 HydrophobicContact CD1-CZ 4Å; I281-F292 HydrophobicContact CG1-CE1 4.45Å; I281-F292 HydrophobicContact CG2-CD1 4.31Å; I281-F294 HydrophobicContact CG2-CE1 3.74Å; I281-F294 HydrophobicContact CG2-CZ 3.59Å
282D88.9Confident90.9Very high65 Ų6531.5 Ų31.535%0.34817%0.171SC..  trans-65.1107.2175.8-178-1.5000110.7T284 K285D282-T284 PolarHBondContact O-N 2.96Å; D282-T284 WeakPolarHBondContact OD1-CB 3.46Å; D282-T284 PolarHBondContact OD1-N 3.01Å; D282-T284 VanDerWaalsContact OD1-N 3.09Å; D282-T284 PolarHBondContact OD1-OG1 3.39Å; D282-T284 PolarHBondContact OD2-OG1 3.23Å; D282-K285 HydrophobicContact CB-CD 4.15Å; D282-K285 HydrophobicContact CB-CG 4.26Å; D282-K285 PolarHBondContact O-N 3.17Å; D282-K285 VanDerWaalsContact O-N 3.17Å; D282-K285 WeakPolarHBondContact OD2-CE 3.22Å
283T90.5Very high91.7Very high44 Ų4433.3 Ų33.327%0.2718%0.18SC..G310 helixtrans-67.2-19.4-175.855.20000113.1V238 V250 I281 K285 I286V238-T283 HydrophobicContact CG1-CG2 3.91Å; V250-T283 HydrophobicContact CG2-CG2 4.3Å; I281-T283 PolarHBondContact O-N 3.32Å; T283-K285 PolarHBondContact O-N 3.42Å; T283-I286 HydrophobicContact CG2-CD1 4.37Å; T283-I286 PolarHBondContact O-N 2.89Å
284T90.8Very high92.5Very high76 Ų7632.3 Ų32.347%0.46617%0.174SC..G310 helixtrans-66.9-26.8175.366.90000112.6E239 D282 I286E239-T284 WeakPolarHBondContact OE1-CG2 3.44Å; D282-T284 PolarHBondContact O-N 2.96Å; D282-T284 WeakPolarHBondContact OD1-CB 3.46Å; D282-T284 PolarHBondContact OD1-N 3.01Å; D282-T284 VanDerWaalsContact OD1-N 3.09Å; D282-T284 PolarHBondContact OD1-OG1 3.39Å; D282-T284 PolarHBondContact OD2-OG1 3.23Å; T284-I286 VanDerWaalsContact C-N 3.29Å
285K91.9Very high93.1Very high92 Ų9232.7 Ų32.740%0.418%0.182SC..G310 helixtrans-81.6-10.1179.9-63.9-177.3-177.4179.20112.9D282 T283 V287 F292D282-K285 HydrophobicContact CB-CD 4.15Å; D282-K285 HydrophobicContact CB-CG 4.26Å; D282-K285 PolarHBondContact O-N 3.17Å; D282-K285 VanDerWaalsContact O-N 3.17Å; D282-K285 WeakPolarHBondContact OD2-CE 3.22Å; T283-K285 PolarHBondContact O-N 3.42Å; K285-V287 PolarHBondContact O-N 3.1Å; K285-V287 VanDerWaalsContact O-N 3.11Å; K285-F292 HydrophobicContact CB-CE1 4.34Å; K285-F292 HydrophobicContact CB-CZ 3.79Å
286I95.1Very high93.4Very high5 Ų534 Ų343%0.02619%0.192CC..  trans-8096.1178.4-56.6172.7000108.6Y231 V234 V238 V250 I281 T283 T284 F292Y231-I286 HydrophobicContact CD1-CG2 3.71Å; Y231-I286 HydrophobicContact CD2-CG2 4Å; Y231-I286 HydrophobicContact CE1-CG2 3.68Å; Y231-I286 HydrophobicContact CE2-CG1 4.29Å; Y231-I286 HydrophobicContact CE2-CG2 3.96Å; Y231-I286 HydrophobicContact CG-CG2 3.87Å; V234-I286 HydrophobicContact CG2-CG2 4.42Å; V238-I286 HydrophobicContact CG2-CB 4Å; V238-I286 HydrophobicContact CG2-CD1 4.09Å; V238-I286 HydrophobicContact CG2-CG2 3.89Å; V250-I286 HydrophobicContact CB-CD1 4.1Å; V250-I286 HydrophobicContact CG1-CD1 3.75Å; V250-I286 HydrophobicContact CG2-CD1 3.81Å; I281-I286 HydrophobicContact CD1-CD1 4.08Å; I281-I286 HydrophobicContact CD1-CG1 4.38Å; I281-I286 HydrophobicContact CG1-CD1 4.36Å; T283-I286 HydrophobicContact CG2-CD1 4.37Å; T283-I286 PolarHBondContact O-N 2.89Å; T284-I286 VanDerWaalsContact C-N 3.29Å; I286-F292 HydrophobicContact CG1-CE2 3.92Å; I286-F292 HydrophobicContact CG1-CZ 3.96Å
287V95.1Very high93.6Very high62 Ų6235.9 Ų35.938%0.37620%0.202SC..  trans-127.2164.5177.6-62.80000110.6P95 K285 G289 S290P95-V287 HydrophobicContact CG-CG2 3.66Å; K285-V287 PolarHBondContact O-N 3.1Å; K285-V287 VanDerWaalsContact O-N 3.11Å; V287-G289 PolarHBondContact O-N 3.16Å; V287-S290 PolarHBondContact N-OG 3.16Å; V287-S290 VanDerWaalsContact N-OG 3.08Å; V287-S290 VanDerWaalsContact O-CB 3.32Å; V287-S290 WeakPolarHBondContact O-CB 3.27Å; V287-S290 PolarHBondContact O-N 2.93Å; V287-S290 PolarHBondContact O-OG 3Å
288S96.3Very high93.7Very high55 Ų5538.5 Ų38.539%0.38522%0.219SC..THydrogen-bonded Turntrans-57.3127.3172.4-61.40000110.8P95 V234P95-S288 WeakPolarHBondContact CG-O 3.3Å; V234-S288 PolarHBondContact N-OG 3.42Å; V234-S288 PolarHBondContact O-OG 2.73Å
289G95.1Very high93.7Very high26 Ų2637.1 Ų37.127%0.26822%0.215SC..THydrogen-bonded Turntrans80.619.1-174.200000114.4G94 P95 T100 Y231 V287G94-G289 CarbonylContact C-O 3.43Å; P95-G289 WeakPolarHBondContact CA-O 3.37Å; T100-G289 WeakPolarHBondContact CG2-O 3.46Å; Y231-G289 VanDerWaalsContact O-CA 3.27Å; Y231-G289 WeakPolarHBondContact O-CA 2.96Å; Y231-G289 PolarHBondContact O-N 3.44Å; V287-G289 PolarHBondContact O-N 3.16Å
290S96.3Very high93.7Very high0 Ų037.5 Ų37.50%022%0.218CC..EExtended strand (participates in β ladder)trans-97.9157.6173.262.50000112.1F93 Y231 V287F93-S290 WeakPolarHBondContact O-CA 3.43Å; F93-S290 WeakPolarHBondContact O-CB 3.5Å; Y231-S290 WeakPolarHBondContact CD2-OG 3.05Å; Y231-S290 PolarHBondContact N-O 3.16Å; Y231-S290 PolarHBondContact O-N 3.36Å; V287-S290 PolarHBondContact N-OG 3.16Å; V287-S290 VanDerWaalsContact N-OG 3.08Å; V287-S290 VanDerWaalsContact O-CB 3.32Å; V287-S290 WeakPolarHBondContact O-CB 3.27Å; V287-S290 PolarHBondContact O-N 2.93Å; V287-S290 PolarHBondContact O-OG 3Å
291A96.9Very high93.9Very high0 Ų034.5 Ų34.50%021%0.205CC..EExtended strand (participates in β ladder)trans-143.6154.6175.600000111.4F93 T100 L103 F229 N230F93-A291 HydrophobicContact CB-CB 4.38Å; F93-A291 HydrophobicContact CD2-CB 4.42Å; F93-A291 PolarHBondContact N-O 2.64Å; F93-A291 PolarHBondContact O-N 2.91Å; T100-A291 HydrophobicContact CG2-CB 3.77Å; L103-A291 HydrophobicContact CD1-CB 3.93Å; F229-A291 CarbonylContact O-C 3.58Å; F229-A291 WeakPolarHBondContact O-CA 3.27Å; N230-A291 WeakPolarHBondContact OD1-CB 3.41Å
292F96.9Very high93.9Very high1 Ų138.8 Ų38.80%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-134.9134.7177-64.1-108.5000108.9W90 E91 I228 F229 Y231 I281 K285 I286 F294W90-F292 AromaticContact CE3-CD1 3.99Å; W90-F292 HydrophobicContact CE3-CD1 3.99Å; W90-F292 HydrophobicContact CE3-CE1 4.45Å; W90-F292 HydrophobicContact CZ3-CD1 4.08Å; W90-F292 HydrophobicContact CZ3-CE1 4.08Å; E91-F292 VanDerWaalsContact O-CA 3.29Å; E91-F292 WeakPolarHBondContact O-CA 3.06Å; I228-F292 CarbonylContact C-O 3.47Å; I228-F292 VanDerWaalsContact CA-O 3.31Å; I228-F292 WeakPolarHBondContact CA-O 3.32Å; F229-F292 HydrophobicContact CB-CB 4.37Å; F229-F292 PolarHBondContact N-O 2.02Å; F229-F292 PolarHBondContact O-N 3.01Å; Y231-F292 HydrophobicContact CD2-CD2 4.21Å; Y231-F292 HydrophobicContact CD2-CE2 4.2Å; Y231-F292 AromaticContact CE2-CD2 3.58Å; Y231-F292 HydrophobicContact CE2-CD2 3.58Å; Y231-F292 AromaticContact CE2-CE2 3.7Å; Y231-F292 HydrophobicContact CE2-CE2 3.7Å; I281-F292 HydrophobicContact CB-CD1 4.32Å; I281-F292 HydrophobicContact CB-CE1 4.18Å; I281-F292 HydrophobicContact CD1-CD1 3.77Å; I281-F292 HydrophobicContact CD1-CD2 4.12Å; I281-F292 HydrophobicContact CD1-CE1 3.81Å; I281-F292 HydrophobicContact CD1-CE2 4.17Å; I281-F292 HydrophobicContact CD1-CG 3.92Å; I281-F292 HydrophobicContact CD1-CZ 4Å; I281-F292 HydrophobicContact CG1-CE1 4.45Å; I281-F292 HydrophobicContact CG2-CD1 4.31Å; K285-F292 HydrophobicContact CB-CE1 4.34Å; K285-F292 HydrophobicContact CB-CZ 3.79Å; I286-F292 HydrophobicContact CG1-CE2 3.92Å; I286-F292 HydrophobicContact CG1-CZ 3.96Å; F292-F294 HydrophobicContact CB-CE2 4.05Å; F292-F294 HydrophobicContact CB-CZ 4.46Å
293E96.7Very high94Very high48 Ų4837.2 Ų37.222%0.22422%0.215CC..EExtended strand (participates in β ladder)trans-117.3123.6178.4-179.6174-163.500109.1W90 E91 F93 I228W90-E293 CarbonylContact C-O 3.55Å; W90-E293 WeakPolarHBondContact CA-O 3.4Å; E91-E293 PolarHBondContact N-O 3.01Å; E91-E293 PolarHBondContact O-N 3.47Å; F93-E293 HydrophobicContact CE2-CB 3.81Å; I228-E293 HydrophobicContact CG1-CG 4.43Å
294F97.3Very high94Very high0 Ų040.8 Ų40.80%024%0.237CC..EExtended strand (participates in β ladder)trans-103.7123.2174.9-55.9-100.2000108.5Y88 I89 W90 S226 I227 F229 L252 V279 I281 F292Y88-F294 HydrophobicContact CD1-CB 4.06Å; I89-F294 CarbonylContact O-C 3.44Å; I89-F294 VanDerWaalsContact O-CA 3.28Å; I89-F294 WeakPolarHBondContact O-CA 3.38Å; W90-F294 HydrophobicContact CB-CD1 3.59Å; W90-F294 HydrophobicContact CB-CE1 3.78Å; W90-F294 HydrophobicContact CB-CG 4.19Å; W90-F294 HydrophobicContact CG-CD1 4.37Å; W90-F294 HydrophobicContact CG-CE1 4.19Å; S226-F294 VanDerWaalsContact CA-O 3.29Å; S226-F294 WeakPolarHBondContact CA-O 3.45Å; I227-F294 HydrophobicContact CB-CB 4.12Å; I227-F294 HydrophobicContact CB-CD2 4.2Å; I227-F294 HydrophobicContact CB-CG 4.49Å; I227-F294 HydrophobicContact CG2-CD2 4.27Å; I227-F294 PolarHBondContact N-O 2.02Å; I227-F294 WeakPolarHBondContact O-CD2 3.23Å; I227-F294 PolarHBondContact O-N 2.99Å; F229-F294 HydrophobicContact CD1-CE2 4.26Å; F229-F294 AromaticContact CD2-CE2 3.4Å; F229-F294 HydrophobicContact CD2-CE2 3.4Å; F229-F294 VanDerWaalsContact CD2-CE2 3.4Å; F229-F294 AromaticContact CD2-CZ 3.8Å; F229-F294 HydrophobicContact CD2-CZ 3.8Å; F229-F294 HydrophobicContact CE1-CE2 4.22Å; F229-F294 HydrophobicContact CE2-CD2 4.42Å; F229-F294 AromaticContact CE2-CE2 3.36Å; F229-F294 HydrophobicContact CE2-CE2 3.36Å; F229-F294 AromaticContact CE2-CZ 3.5Å; F229-F294 HydrophobicContact CE2-CZ 3.5Å; F229-F294 VanDerWaalsContact CE2-CZ 3.5Å; F229-F294 AromaticContact CG-CE2 3.87Å; F229-F294 HydrophobicContact CG-CE2 3.87Å; F229-F294 HydrophobicContact CZ-CD2 4.48Å; F229-F294 AromaticContact CZ-CE2 3.79Å; F229-F294 HydrophobicContact CZ-CE2 3.79Å; F229-F294 HydrophobicContact CZ-CZ 4.16Å; L252-F294 HydrophobicContact CD1-CB 4.28Å; L252-F294 HydrophobicContact CD1-CD1 3.71Å; L252-F294 HydrophobicContact CD1-CE1 4.28Å; L252-F294 HydrophobicContact CD1-CG 4.03Å; L252-F294 HydrophobicContact CG-CD1 4.17Å; L252-F294 HydrophobicContact CG-CE1 4.25Å; V279-F294 HydrophobicContact CG1-CD1 4.2Å; V279-F294 HydrophobicContact CG1-CE1 3.78Å; I281-F294 HydrophobicContact CG2-CE1 3.74Å; I281-F294 HydrophobicContact CG2-CZ 3.59Å; F292-F294 HydrophobicContact CB-CE2 4.05Å; F292-F294 HydrophobicContact CB-CZ 4.46Å
295S96.4Very high94Very high41 Ų4139 Ų3929%0.28723%0.228SC..EExtended strand (participates in β ladder)trans-103.2126.9175.4-66.60000109.8Y88 I89Y88-S295 WeakPolarHBondContact CA-O 3.04Å; I89-S295 PolarHBondContact N-O 2.81Å; I89-S295 PolarHBondContact O-N 2.92Å
296P95.5Very high93.9Very high44 Ų4435.6 Ų35.629%0.28622%0.215SC..EExtended strand (participates in β ladder)trans-7014317931.5-36.6000110.4Y88Y88-P296 HydrophobicContact CD1-CB 4.22Å; Y88-P296 HydrophobicContact CE1-CB 3.82Å
297L93.9Very high93.6Very high48 Ų4842.6 Ų42.625%0.25125%0.247SC..PPolyproline II helixtrans-97.8154.6171.9-67.3175.7000111Q85 Y87 I89 T299Q85-L297 WeakPolarHBondContact O-CD1 3.29Å; Y87-L297 PolarHBondContact O-N 2.54Å; I89-L297 HydrophobicContact CG2-CD1 3.95Å; I89-L297 HydrophobicContact CG2-CD2 4.16Å; I89-L297 HydrophobicContact CG2-CG 4.23Å; L297-T299 PolarHBondContact O-N 2.9Å
298P92.2Very high93.4Very high55 Ų5544 Ų4436%0.35725%0.253SS..PPolyproline II helixtrans-58.4136.5174.4-23.834.4000112Q302 L314 T315P298-Q302 VanDerWaalsContact CA-OE1 3.3Å; P298-L314 HydrophobicContact CB-CB 4.32Å; P298-L314 HydrophobicContact CG-CB 4.49Å; P298-T315 HydrophobicContact CB-CG2 3.88Å
299T92.6Very high93.1Very high11 Ų1141.6 Ų41.67%0.06724%0.235CC..  trans-124.2156.3177.668.70000110.6Y87 G141 L297 L301 Q302Y87-T299 HydrophobicContact CD1-CG2 3.76Å; Y87-T299 HydrophobicContact CE1-CG2 4.24Å; G141-T299 VanDerWaalsContact CA-OG1 3.3Å; G141-T299 WeakPolarHBondContact CA-OG1 3.49Å; L297-T299 PolarHBondContact O-N 2.9Å; T299-L301 PolarHBondContact O-N 3.25Å; T299-Q302 WeakPolarHBondContact O-CB 3.26Å; T299-Q302 PolarHBondContact O-N 2.61Å; T299-Q302 VanDerWaalsContact O-N 3.12Å
300C92.3Very high92.8Very high8 Ų844.1 Ų44.15%0.05424%0.243CC..G310 helixtrans-56.3-35.9179.3-58.80000112.4Q302 H303 C318 C327C300-Q302 PolarHBondContact O-N 3.33Å; C300-H303 PolarHBondContact O-CD2 3.16Å; C300-H303 PolarHBondContact O-N 3.03Å; C300-C318 VanDerWaalsContact CA-SG 3.54Å; C300-C318 HydrophobicContact CB-CB 3.76Å; C300-C318 WeakPolarHBondContact CB-SG 3.02Å; C300-C318 WeakPolarHBondContact SG-CA 3.01Å; C300-C318 WeakPolarHBondContact SG-CB 3.5Å; C300-C318 CovalentContact SG-SG 2.03Å; C300-C318 PolarHBondContact SG-SG 2.94Å; C300-C327 CarbonylContact C-O 3.55Å; C300-C327 WeakPolarHBondContact O-CB 3.33Å; C300-C327 PolarHBondContact O-SG 2.95Å
301L92.1Very high92.3Very high35 Ų3547.6 Ų47.618%0.18327%0.271CS..G310 helixtrans-61.7-16.5-178.7-65.7167.4000114H142 T299 H303 R326 C327 D332H142-L301 WeakPolarHBondContact CE1-CD1 3.33Å; H142-L301 WeakPolarHBondContact NE2-CD1 3.23Å; T299-L301 PolarHBondContact O-N 3.25Å; L301-H303 VanDerWaalsContact C-N 3.27Å; L301-H303 PolarHBondContact O-N 2.96Å; L301-R326 HydrophobicContact CD2-CG 4.2Å; L301-C327 WeakPolarHBondContact CA-O 3.32Å; L301-C327 WeakPolarHBondContact CD2-O 3.3Å; L301-D332 HydrophobicContact CD1-CB 3.9Å
302Q90.2Very high91.6Very high99 Ų9948.8 Ų48.846%0.46328%0.279SS..G310 helixtrans-74-19.6176.7-64.9174.8-18.400112.7P298 T299 C300P298-Q302 VanDerWaalsContact CA-OE1 3.3Å; T299-Q302 WeakPolarHBondContact O-CB 3.26Å; T299-Q302 PolarHBondContact O-N 2.61Å; T299-Q302 VanDerWaalsContact O-N 3.12Å; C300-Q302 PolarHBondContact O-N 3.33Å
303H90.7Very high90.8Very high31 Ų3156.4 Ų56.414%0.14432%0.32CS..  trans-85.1121.8-179.6-56.3-58.2000110.9C300 L301 L308 C309 S312 T315 C327C300-H303 PolarHBondContact O-CD2 3.16Å; C300-H303 PolarHBondContact O-N 3.03Å; L301-H303 VanDerWaalsContact C-N 3.27Å; L301-H303 PolarHBondContact O-N 2.96Å; H303-L308 HydrophobicContact CB-CB 4.26Å; H303-C309 HydrophobicContact CB-CB 4.08Å; H303-S312 PolarHBondContact CE1-OG 3.44Å; H303-S312 WeakPolarHBondContact NE2-CB 2.99Å; H303-S312 PolarHBondContact NE2-OG 3.28Å; H303-T315 PolarHBondContact NE2-OG1 2.63Å; H303-T315 VanDerWaalsContact NE2-OG1 3.12Å; H303-C327 HydrophobicContact CB-CB 3.98Å; H303-C327 WeakPolarHBondContact O-CB 3.36Å
304T90.2Very high90.1Very high120 Ų12060.7 Ų60.774%0.73634%0.344SS*.  trans-94.9-2.3-174.454.60000114.4W320T304-W320 WeakPolarHBondContact O-CH2 3.42Å
305S90.6Very high89.3Confident39 Ų3961.4 Ų61.427%0.27335%0.348SS..SBendtrans-141.4157.117968.10000111.7E307 L308 C309S305-E307 VanDerWaalsContact C-N 3.33Å; S305-E307 PolarHBondContact O-N 2.88Å; S305-L308 PolarHBondContact O-N 2.8Å; S305-L308 WeakPolarHBondContact OG-CB 3.38Å; S305-L308 WeakPolarHBondContact OG-CD1 3.44Å; S305-L308 VanDerWaalsContact OG-CG 3.23Å; S305-L308 WeakPolarHBondContact OG-CG 3.39Å; S305-L308 PolarHBondContact OG-N 2.94Å; S305-C309 VanDerWaalsContact O-CB 3.28Å; S305-C309 WeakPolarHBondContact O-CB 3.32Å; S305-C309 PolarHBondContact O-N 3.23Å
306C89.8Confident88.6Confident19 Ų1965.8 Ų65.813%0.12837%0.373CS..Hα-helixtrans-59.2-43.7179.8-1720000112.3L308 C309 L310 W320 C351C306-L308 PolarHBondContact O-N 2.72Å; C306-C309 WeakPolarHBondContact O-CB 3.29Å; C306-C309 PolarHBondContact O-N 3.11Å; C306-L310 WeakPolarHBondContact O-CG 3.35Å; C306-L310 PolarHBondContact O-N 3.23Å; C306-W320 VanDerWaalsContact CA-CD2 3.46Å; C306-W320 HydrophobicContact CB-CB 4.28Å; C306-W320 HydrophobicContact CB-CD2 3.71Å; C306-W320 HydrophobicContact CB-CE3 4.45Å; C306-W320 HydrophobicContact CB-CG 3.58Å; C306-W320 HydrophobicContact CB-CZ2 4.49Å; C306-W320 VanDerWaalsContact SG-CG 3.55Å; C306-C351 HydrophobicContact CB-CB 3.77Å; C306-C351 WeakPolarHBondContact CB-SG 3.36Å; C306-C351 PolarHBondContact O-SG 2.72Å; C306-C351 WeakPolarHBondContact SG-CA 3.25Å; C306-C351 WeakPolarHBondContact SG-CB 3.38Å; C306-C351 CovalentContact SG-SG 2.02Å; C306-C351 PolarHBondContact SG-SG 2.78Å
307E89.3Confident88.2Confident152 Ų15266.9 Ų66.971%0.7139%0.393SS*.Hα-helixtrans-61.7-47.4179.8-64.4-179178.700111.4S305 C309 L310 A311S305-E307 VanDerWaalsContact C-N 3.33Å; S305-E307 PolarHBondContact O-N 2.88Å; E307-C309 VanDerWaalsContact C-N 3.34Å; E307-C309 PolarHBondContact O-N 2.78Å; E307-L310 PolarHBondContact O-N 3.01Å; E307-A311 WeakPolarHBondContact O-CB 3.17Å; E307-A311 PolarHBondContact O-N 3.38Å
308L90Very high88Confident93 Ų9365.8 Ų65.849%0.48739%0.389SS..Hα-helixtrans-64.5-40.3177.7-66.4175.4000111.7H303 S305 C306 S312H303-L308 HydrophobicContact CB-CB 4.26Å; S305-L308 PolarHBondContact O-N 2.8Å; S305-L308 WeakPolarHBondContact OG-CB 3.38Å; S305-L308 WeakPolarHBondContact OG-CD1 3.44Å; S305-L308 VanDerWaalsContact OG-CG 3.23Å; S305-L308 WeakPolarHBondContact OG-CG 3.39Å; S305-L308 PolarHBondContact OG-N 2.94Å; C306-L308 PolarHBondContact O-N 2.72Å; L308-S312 VanDerWaalsContact O-CB 3.32Å; L308-S312 WeakPolarHBondContact O-CB 3.36Å; L308-S312 PolarHBondContact O-N 2.74Å; L308-S312 VanDerWaalsContact O-N 3.16Å
309C90.6Very high87.9Confident3 Ų363.5 Ų63.52%0.0238%0.375CS..Hα-helixtrans-60.1-46.8179.1-177.20000112.3H303 S305 C306 E307 W320 C327H303-C309 HydrophobicContact CB-CB 4.08Å; S305-C309 VanDerWaalsContact O-CB 3.28Å; S305-C309 WeakPolarHBondContact O-CB 3.32Å; S305-C309 PolarHBondContact O-N 3.23Å; C306-C309 WeakPolarHBondContact O-CB 3.29Å; C306-C309 PolarHBondContact O-N 3.11Å; E307-C309 VanDerWaalsContact C-N 3.34Å; E307-C309 PolarHBondContact O-N 2.78Å; C309-W320 HydrophobicContact CB-CB 4.48Å; C309-W320 HydrophobicContact CB-CE3 3.82Å; C309-C327 VanDerWaalsContact CA-SG 3.6Å; C309-C327 HydrophobicContact CB-CB 3.6Å; C309-C327 WeakPolarHBondContact CB-SG 3.28Å; C309-C327 WeakPolarHBondContact SG-CB 3.41Å; C309-C327 CovalentContact SG-SG 2.02Å; C309-C327 PolarHBondContact SG-SG 3.05Å
310L88.3Confident87.9Confident80 Ų8063.7 Ų63.742%0.41938%0.375SS..Hα-helixtrans-86-25.9-176.2-61.6-174.2000113.5C306 E307 C351C306-L310 WeakPolarHBondContact O-CG 3.35Å; C306-L310 PolarHBondContact O-N 3.23Å; E307-L310 PolarHBondContact O-N 3.01Å; L310-C351 VanDerWaalsContact CD1-SG 3.52Å
311A86.2Confident87.8Confident73 Ų7363.3 Ų63.360%0.60337%0.372SS*.Hα-helixtrans-86.5-11.9179.600000113.7E307 N313E307-A311 WeakPolarHBondContact O-CB 3.17Å; E307-A311 PolarHBondContact O-N 3.38Å; A311-N313 PolarHBondContact O-N 3.5Å
312S82.4Confident87.6Confident24 Ų2463.9 Ų63.917%0.16838%0.375CS..  trans-66.4121.9-177.4174.50000111.9H303 L308 L314 T315H303-S312 PolarHBondContact CE1-OG 3.44Å; H303-S312 WeakPolarHBondContact NE2-CB 2.99Å; H303-S312 PolarHBondContact NE2-OG 3.28Å; L308-S312 VanDerWaalsContact O-CB 3.32Å; L308-S312 WeakPolarHBondContact O-CB 3.36Å; L308-S312 PolarHBondContact O-N 2.74Å; L308-S312 VanDerWaalsContact O-N 3.16Å; S312-L314 VanDerWaalsContact C-N 3.34Å; S312-L314 PolarHBondContact OG-N 3.07Å; S312-T315 PolarHBondContact OG-OG1 2.74Å
313N80.7Confident87.5Confident162 Ų16263 Ų6387%0.86638%0.377SS*.SBendtrans-85.9-7.2169.6-66.7-37.7000113A311A311-N313 PolarHBondContact O-N 3.5Å
314L80.1Confident87.5Confident138 Ų13863 Ų6372%0.72338%0.378SS*.SBendtrans-83.2-22.5-175.6-64.7175000112.6P298 S312P298-L314 HydrophobicContact CB-CB 4.32Å; P298-L314 HydrophobicContact CG-CB 4.49Å; S312-L314 VanDerWaalsContact C-N 3.34Å; S312-L314 PolarHBondContact OG-N 3.07Å
315T82.4Confident87.6Confident15 Ų1563 Ų639%0.09237%0.369CS..SBendtrans-130122.8-170.949.20000109P298 H303 S312 C318P298-T315 HydrophobicContact CB-CG2 3.88Å; H303-T315 PolarHBondContact NE2-OG1 2.63Å; H303-T315 VanDerWaalsContact NE2-OG1 3.12Å; S312-T315 PolarHBondContact OG-OG1 2.74Å; T315-C318 WeakPolarHBondContact CB-SG 3.46Å; T315-C318 PolarHBondContact OG1-SG 3.39Å
316T81.3Confident87.6Confident132 Ų13263.8 Ų63.881%0.8137%0.366SS*.SBendtrans-97.9143.4-178.155.30000111.1C318T316-C318 VanDerWaalsContact C-N 3.34Å; T316-C318 PolarHBondContact O-N 2.04Å
317G85.6Confident87.8Confident68 Ų6862.9 Ų62.970%0.70136%0.361SS*.SBendtrans75.116.4175.500000115.5
318C90.1Very high87.9Confident25 Ų2555.7 Ų55.717%0.16933%0.327CS..  trans-72.6146.6173.2-54.80000111.8C300 T315 T316C300-C318 VanDerWaalsContact CA-SG 3.54Å; C300-C318 HydrophobicContact CB-CB 3.76Å; C300-C318 WeakPolarHBondContact CB-SG 3.02Å; C300-C318 WeakPolarHBondContact SG-CA 3.01Å; C300-C318 WeakPolarHBondContact SG-CB 3.5Å; C300-C318 CovalentContact SG-SG 2.03Å; C300-C318 PolarHBondContact SG-SG 2.94Å; T315-C318 WeakPolarHBondContact CB-SG 3.46Å; T315-C318 PolarHBondContact OG1-SG 3.39Å; T316-C318 VanDerWaalsContact C-N 3.34Å; T316-C318 PolarHBondContact O-N 2.04Å
319G90.8Very high87.9Confident6 Ų653.5 Ų53.56%0.06232%0.316CS..EExtended strand (participates in β ladder)trans-132.4151.4170.200000110.9C327 S328 W338G319-C327 WeakPolarHBondContact O-CA 3.42Å; G319-S328 PolarHBondContact N-O 2.96Å; G319-S328 PolarHBondContact O-N 3.33Å; G319-S328 VanDerWaalsContact O-O 3.06Å; G319-W338 WeakPolarHBondContact O-CH2 3.39Å
320W91.8Very high87.8Confident16 Ų1653.8 Ų53.86%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-100.3129.7175.8-176.8-100.1000110.5T304 C306 C309 Q325 C327 S347T304-W320 WeakPolarHBondContact O-CH2 3.42Å; C306-W320 VanDerWaalsContact CA-CD2 3.46Å; C306-W320 HydrophobicContact CB-CB 4.28Å; C306-W320 HydrophobicContact CB-CD2 3.71Å; C306-W320 HydrophobicContact CB-CE3 4.45Å; C306-W320 HydrophobicContact CB-CG 3.58Å; C306-W320 HydrophobicContact CB-CZ2 4.49Å; C306-W320 VanDerWaalsContact SG-CG 3.55Å; C309-W320 HydrophobicContact CB-CB 4.48Å; C309-W320 HydrophobicContact CB-CE3 3.82Å; W320-Q325 VanDerWaalsContact CH2-C 3.47Å; W320-Q325 WeakPolarHBondContact CH2-O 3.05Å; W320-Q325 HydrophobicContact CZ2-CB 4.28Å; W320-C327 HydrophobicContact CE3-CB 3.72Å; W320-C327 HydrophobicContact CZ3-CB 3.91Å; W320-S347 VanDerWaalsContact O-CA 3.28Å; W320-S347 WeakPolarHBondContact O-CA 3.28Å; W320-S347 WeakPolarHBondContact O-CB 3.31Å
321C91.8Very high87.8Confident0 Ų051.3 Ų51.30%031%0.306CS..EExtended strand (participates in β ladder)trans-104.4113.8168-167.80000109.2L324 Q325 R326 W338 C343C321-L324 HydrophobicContact CB-CB 4.32Å; C321-L324 PolarHBondContact O-N 3.01Å; C321-Q325 WeakPolarHBondContact O-CA 3.17Å; C321-Q325 PolarHBondContact O-N 3.03Å; C321-R326 PolarHBondContact N-O 3.07Å; C321-R326 PolarHBondContact O-N 3.48Å; C321-R326 VanDerWaalsContact O-N 3.1Å; C321-W338 HydrophobicContact CB-CE3 4.06Å; C321-W338 HydrophobicContact CB-CH2 3.58Å; C321-W338 HydrophobicContact CB-CZ2 4.39Å; C321-W338 HydrophobicContact CB-CZ3 3.37Å; C321-C343 HydrophobicContact CB-CB 3.55Å; C321-C343 WeakPolarHBondContact CB-SG 3.46Å; C321-C343 WeakPolarHBondContact SG-CB 3.15Å; C321-C343 CovalentContact SG-SG 2.04Å; C321-C343 PolarHBondContact SG-SG 3.1Å
322N86.5Confident88Confident46 Ų4647.9 Ų47.925%0.24628%0.278CS..THydrogen-bonded Turntrans-72.8-33.2-179.7-171.966.5000111.2L324 Q325 E346 Y354N322-L324 VanDerWaalsContact C-N 3.3Å; N322-L324 PolarHBondContact O-N 2.86Å; N322-Q325 PolarHBondContact O-N 3.38Å; N322-Q325 PolarHBondContact O-NE2 3.1Å; N322-Q325 PolarHBondContact OD1-NE2 3.18Å; N322-E346 VanDerWaalsContact CA-OE1 3.27Å; N322-E346 WeakPolarHBondContact CA-OE1 3.25Å; N322-E346 WeakPolarHBondContact CB-OE1 3.21Å; N322-E346 PolarHBondContact N-OE1 3.49Å; N322-Y354 HydrophobicContact CB-CD1 3.69Å; N322-Y354 HydrophobicContact CB-CD2 4.16Å; N322-Y354 HydrophobicContact CB-CE1 4.11Å; N322-Y354 HydrophobicContact CB-CG 3.73Å; N322-Y354 WeakPolarHBondContact ND2-CD1 3.49Å
323T89.1Confident88.4Confident81 Ų8148.4 Ų48.450%0.49728%0.276SS..THydrogen-bonded Turntrans-59.4-41.4174.7-54.30000112.4Y341 E346T323-Y341 HydrophobicContact CG2-CD1 3.52Å; T323-Y341 HydrophobicContact CG2-CE1 4.05Å; T323-Y341 HydrophobicContact CG2-CG 4.17Å; T323-E346 PolarHBondContact N-OE1 3.12Å; T323-E346 VanDerWaalsContact N-OE1 3.07Å; T323-E346 PolarHBondContact OG1-OE2 3.16Å
324L90.6Very high88.9Confident31 Ų3143.9 Ų43.916%0.16225%0.25CC..THydrogen-bonded Turntrans-94.3-6.1179.7-64.7179.4000114C321 N322 R326 E337 W338 Y341 C343C321-L324 HydrophobicContact CB-CB 4.32Å; C321-L324 PolarHBondContact O-N 3.01Å; N322-L324 VanDerWaalsContact C-N 3.3Å; N322-L324 PolarHBondContact O-N 2.86Å; L324-R326 HydrophobicContact CB-CB 4.14Å; L324-R326 PolarHBondContact O-N 2.95Å; L324-E337 HydrophobicContact CD1-CG 3.91Å; L324-E337 HydrophobicContact CD2-CG 3.9Å; L324-W338 HydrophobicContact CD1-CE3 4.36Å; L324-Y341 HydrophobicContact CD1-CD2 4.33Å; L324-Y341 HydrophobicContact CD2-CD2 3.62Å; L324-Y341 HydrophobicContact CD2-CE2 3.81Å; L324-Y341 HydrophobicContact CD2-CG 4.13Å; L324-Y341 HydrophobicContact CG-CD2 4.21Å; L324-Y341 HydrophobicContact CG-CG 4.41Å; L324-C343 VanDerWaalsContact CD1-SG 3.57Å
325Q90.8Very high89.4Confident120 Ų12039.4 Ų39.456%0.56122%0.223SC*.THydrogen-bonded Turntrans47.947-170.7-63.9-68-52.400112.2W320 C321 N322W320-Q325 VanDerWaalsContact CH2-C 3.47Å; W320-Q325 WeakPolarHBondContact CH2-O 3.05Å; W320-Q325 HydrophobicContact CZ2-CB 4.28Å; C321-Q325 WeakPolarHBondContact O-CA 3.17Å; C321-Q325 PolarHBondContact O-N 3.03Å; N322-Q325 PolarHBondContact O-N 3.38Å; N322-Q325 PolarHBondContact O-NE2 3.1Å; N322-Q325 PolarHBondContact OD1-NE2 3.18Å
326R91.9Very high89.7Confident55 Ų5541.1 Ų41.121%0.20823%0.23CC..EExtended strand (participates in β ladder)trans-136.7137.1-171.3-170-176.6-63.7146.61.8111.9L301 C321 L324 E337L301-R326 HydrophobicContact CD2-CG 4.2Å; C321-R326 PolarHBondContact N-O 3.07Å; C321-R326 PolarHBondContact O-N 3.48Å; C321-R326 VanDerWaalsContact O-N 3.1Å; L324-R326 HydrophobicContact CB-CB 4.14Å; L324-R326 PolarHBondContact O-N 2.95Å; R326-E337 IonicContact CZ-OE2 2.78Å; R326-E337 IonicContact NH1-OE2 2.72Å; R326-E337 PolarHBondContact NH1-OE2 2.86Å; R326-E337 IonicContact NH2-OE2 2.83Å; R326-E337 PolarHBondContact NH2-OE2 3.19Å
327C92.8Very high90.1Very high1 Ų138 Ų381%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-91.7126.6168.4-1720000110.2C300 L301 H303 C309 G319 W320C300-C327 CarbonylContact C-O 3.55Å; C300-C327 WeakPolarHBondContact O-CB 3.33Å; C300-C327 PolarHBondContact O-SG 2.95Å; L301-C327 WeakPolarHBondContact CA-O 3.32Å; L301-C327 WeakPolarHBondContact CD2-O 3.3Å; H303-C327 HydrophobicContact CB-CB 3.98Å; H303-C327 WeakPolarHBondContact O-CB 3.36Å; C309-C327 VanDerWaalsContact CA-SG 3.6Å; C309-C327 HydrophobicContact CB-CB 3.6Å; C309-C327 WeakPolarHBondContact CB-SG 3.28Å; C309-C327 WeakPolarHBondContact SG-CB 3.41Å; C309-C327 CovalentContact SG-SG 2.02Å; C309-C327 PolarHBondContact SG-SG 3.05Å; G319-C327 WeakPolarHBondContact O-CA 3.42Å; W320-C327 HydrophobicContact CE3-CB 3.72Å; W320-C327 HydrophobicContact CZ3-CB 3.91Å
328S93.1Very high90.4Very high1 Ų135 Ų351%0.00717%0.174CC..EExtended strand (participates in β ladder)trans-152.1155177.5177.50000111G319 G330 D332G319-S328 PolarHBondContact N-O 2.96Å; G319-S328 PolarHBondContact O-N 3.33Å; G319-S328 VanDerWaalsContact O-O 3.06Å; S328-G330 PolarHBondContact OG-N 2.81Å; S328-D332 WeakPolarHBondContact CB-OD2 3.42Å; S328-D332 PolarHBondContact OG-OD2 3.15Å
329D89.4Confident90.4Very high46 Ų4637 Ų3725%0.24618%0.183CC..  trans-85.93.8166.663.7-8.7000112.5K86 I331K86-D329 VanDerWaalsContact CE-OD2 3.3Å; K86-D329 WeakPolarHBondContact CE-OD2 3.46Å; K86-D329 IonicContact NZ-OD2 2.74Å; K86-D329 PolarHBondContact NZ-OD2 2.88Å; D329-I331 VanDerWaalsContact C-N 3.3Å; D329-I331 PolarHBondContact O-N 3.18Å; D329-I331 PolarHBondContact OD1-N 2.92Å
330G88.3Confident90.3Very high10 Ų1042.2 Ų42.210%0.10321%0.209CC..SBendtrans80.63-179.400000114.4S328 R335S328-G330 PolarHBondContact OG-N 2.81Å; G330-R335 VanDerWaalsContact O-CD 3.31Å; G330-R335 WeakPolarHBondContact O-CD 3.13Å; G330-R335 VanDerWaalsContact O-CG 3.31Å; G330-R335 WeakPolarHBondContact O-CG 3.4Å; G330-R335 PolarHBondContact O-NE 3.37Å
331I88.4Confident90.2Very high27 Ų2747.3 Ų47.314%0.13823%0.229CC..  trans-125.785176.9-51.2-62.4000109.5Y87 Y276 D329Y87-I331 PolarHBondContact OH-O 2.82Å; Y276-I331 HydrophobicContact CD2-CG2 3.98Å; Y276-I331 HydrophobicContact CG-CG2 3.88Å; D329-I331 VanDerWaalsContact C-N 3.3Å; D329-I331 PolarHBondContact O-N 3.18Å; D329-I331 PolarHBondContact OD1-N 2.92Å
332D91Very high90Very high2 Ų252.2 Ų52.21%0.01126%0.255CS..SBendtrans-152.7-178.7177.472.972.7000111.3H142 F256 L301 S328 H334 R335H142-D332 IonicContact CE1-OD1 3.66Å; H142-D332 PolarHBondContact CE1-OD1 3.4Å; H142-D332 IonicContact NE2-OD1 2.8Å; F256-D332 WeakPolarHBondContact CB-O 3.42Å; L301-D332 HydrophobicContact CD1-CB 3.9Å; S328-D332 WeakPolarHBondContact CB-OD2 3.42Å; S328-D332 PolarHBondContact OG-OD2 3.15Å; D332-H334 PolarHBondContact O-N 2.9Å; D332-H334 VanDerWaalsContact O-N 3.16Å; D332-H334 WeakPolarHBondContact OD1-CA 3.08Å; D332-H334 WeakPolarHBondContact OD1-CB 3.26Å; D332-H334 IonicContact OD1-CG 3.88Å; D332-H334 PolarHBondContact OD1-N 2.88Å; D332-H334 IonicContact OD1-ND1 3.12Å; D332-R335 WeakPolarHBondContact O-CB 3.27Å; D332-R335 PolarHBondContact O-N 3.15Å
333R90.7Very high90.1Very high35 Ų3550 Ų5013%0.13224%0.243CC..THydrogen-bonded Turntrans-56.5-31.5-178.2-66-179.6179-148.8-11.9113.9F139 H142 I144 M157 D254 R335F139-R333 VanDerWaalsContact CD1-NH2 3.33Å; H142-R333 VanDerWaalsContact CD2-CD 3.46Å; H142-R333 WeakPolarHBondContact CD2-CD 3.05Å; H142-R333 WeakPolarHBondContact NE2-CG 3.37Å; H142-R333 PolarHBondContact NE2-N 3.47Å; I144-R333 VanDerWaalsContact CD1-NH1 3.29Å; M157-R333 PolarHBondContact O-NH1 3.29Å; M157-R333 PolarHBondContact O-NH2 3.12Å; D254-R333 IonicContact OD1-CZ 3.17Å; D254-R333 IonicContact OD1-NE 3.65Å; D254-R333 PolarHBondContact OD1-NE 3.12Å; D254-R333 VanDerWaalsContact OD1-NE 3.12Å; D254-R333 IonicContact OD1-NH2 2.8Å; D254-R333 PolarHBondContact OD1-NH2 2.83Å; D254-R333 IonicContact OD2-CZ 3.76Å; D254-R333 IonicContact OD2-NE 3.41Å; D254-R333 PolarHBondContact OD2-NE 2.96Å; D254-R333 IonicContact OD2-NH2 2.65Å; D254-R333 PolarHBondContact OD2-NH2 3.19Å; R333-R335 VanDerWaalsContact C-N 3.31Å
334H91Very high90Very high67 Ų6748 Ų4831%0.3123%0.232SC..THydrogen-bonded Turntrans-92.717.4179.8-50.2108.5000113.1H142 D332 Q336 E337 W338H142-H334 AromaticContact CE1-CE1 3.64Å; H142-H334 AromaticContact CE1-ND1 3.41Å; H142-H334 PolarHBondContact CE1-ND1 2.75Å; H142-H334 AromaticContact ND1-CE1 3.5Å; H142-H334 PolarHBondContact ND1-CE1 3.14Å; H142-H334 AromaticContact ND1-ND1 3.75Å; D332-H334 PolarHBondContact O-N 2.9Å; D332-H334 VanDerWaalsContact O-N 3.16Å; D332-H334 WeakPolarHBondContact OD1-CA 3.08Å; D332-H334 WeakPolarHBondContact OD1-CB 3.26Å; D332-H334 IonicContact OD1-CG 3.88Å; D332-H334 PolarHBondContact OD1-N 2.88Å; D332-H334 IonicContact OD1-ND1 3.12Å; H334-Q336 PolarHBondContact O-N 3.32Å; H334-Q336 VanDerWaalsContact O-N 3.16Å; H334-E337 WeakPolarHBondContact O-CB 3.43Å; H334-E337 PolarHBondContact O-N 3.02Å; H334-E337 VanDerWaalsContact O-N 3.1Å; H334-W338 PolarHBondContact O-N 2.89Å
335R90.5Very high89.6Confident43 Ų4351.8 Ų51.816%0.16225%0.249CC..Hα-helixtrans-54.2-36.8-179.3178.9172.2-163.7-63.3-8.4113.8F256 G330 D332 R333 W338 L339F256-R335 HydrophobicContact CD1-CB 4.38Å; F256-R335 HydrophobicContact CD2-CB 4.24Å; F256-R335 HydrophobicContact CG-CB 4.13Å; G330-R335 VanDerWaalsContact O-CD 3.31Å; G330-R335 WeakPolarHBondContact O-CD 3.13Å; G330-R335 VanDerWaalsContact O-CG 3.31Å; G330-R335 WeakPolarHBondContact O-CG 3.4Å; G330-R335 PolarHBondContact O-NE 3.37Å; D332-R335 WeakPolarHBondContact O-CB 3.27Å; D332-R335 PolarHBondContact O-N 3.15Å; R333-R335 VanDerWaalsContact C-N 3.31Å; R335-W338 WeakPolarHBondContact O-CB 3.49Å; R335-W338 PolarHBondContact O-N 2.96Å; R335-L339 WeakPolarHBondContact O-CG 3.39Å; R335-L339 PolarHBondContact O-N 3.07Å
336Q88.7Confident88.9Confident52 Ų5247.3 Ų47.324%0.24323%0.228CC..Hα-helixtrans-63.3-48.1178.5-172.660.750.900111H334 W338 L339 D340H334-Q336 PolarHBondContact O-N 3.32Å; H334-Q336 VanDerWaalsContact O-N 3.16Å; Q336-W338 VanDerWaalsContact C-N 3.29Å; Q336-W338 PolarHBondContact O-N 3.01Å; Q336-L339 PolarHBondContact O-N 3.49Å; Q336-L339 VanDerWaalsContact O-N 3.15Å; Q336-D340 PolarHBondContact NE2-OD1 3.48Å; Q336-D340 PolarHBondContact O-N 3.27Å
337E90.2Very high88.2Confident65 Ų6546 Ų4630%0.30423%0.227SC..Hα-helixtrans-59.4-42.1174.7-175.1-176.1-140.200111.1L324 R326 H334 L339 D340 Y341L324-E337 HydrophobicContact CD1-CG 3.91Å; L324-E337 HydrophobicContact CD2-CG 3.9Å; R326-E337 IonicContact CZ-OE2 2.78Å; R326-E337 IonicContact NH1-OE2 2.72Å; R326-E337 PolarHBondContact NH1-OE2 2.86Å; R326-E337 IonicContact NH2-OE2 2.83Å; R326-E337 PolarHBondContact NH2-OE2 3.19Å; H334-E337 WeakPolarHBondContact O-CB 3.43Å; H334-E337 PolarHBondContact O-N 3.02Å; H334-E337 VanDerWaalsContact O-N 3.1Å; E337-L339 VanDerWaalsContact C-N 3.29Å; E337-L339 PolarHBondContact O-N 2.87Å; E337-D340 PolarHBondContact O-N 3.36Å; E337-Y341 HydrophobicContact CG-CD2 3.85Å; E337-Y341 HydrophobicContact CG-CE2 3.87Å; E337-Y341 WeakPolarHBondContact O-CD2 3.32Å; E337-Y341 PolarHBondContact O-N 3.27Å; E337-Y341 VanDerWaalsContact O-N 3.12Å
338W90.2Very high87.2Confident7 Ų752.7 Ų52.73%0.02726%0.256CS..Hα-helixtrans-56.6-41.3176-173.8-92.2000112.7G319 C321 L324 H334 R335 Q336 C343G319-W338 WeakPolarHBondContact O-CH2 3.39Å; C321-W338 HydrophobicContact CB-CE3 4.06Å; C321-W338 HydrophobicContact CB-CH2 3.58Å; C321-W338 HydrophobicContact CB-CZ2 4.39Å; C321-W338 HydrophobicContact CB-CZ3 3.37Å; L324-W338 HydrophobicContact CD1-CE3 4.36Å; H334-W338 PolarHBondContact O-N 2.89Å; R335-W338 WeakPolarHBondContact O-CB 3.49Å; R335-W338 PolarHBondContact O-N 2.96Å; Q336-W338 VanDerWaalsContact C-N 3.29Å; Q336-W338 PolarHBondContact O-N 3.01Å; W338-C343 HydrophobicContact CD2-CB 3.41Å; W338-C343 VanDerWaalsContact CD2-CB 3.41Å; W338-C343 HydrophobicContact CE3-CB 3.8Å; W338-C343 HydrophobicContact CG-CB 3.84Å; W338-C343 HydrophobicContact CH2-CB 4.08Å; W338-C343 HydrophobicContact CZ2-CB 3.71Å; W338-C343 HydrophobicContact CZ3-CB 4.12Å; W338-C343 VanDerWaalsContact O-CB 3.26Å; W338-C343 WeakPolarHBondContact O-CB 3.43Å; W338-C343 PolarHBondContact O-N 3.23Å; W338-C343 VanDerWaalsContact O-N 3.12Å
339L90.6Very high86.1Confident67 Ų6753.9 Ų53.935%0.35127%0.268SS..Hα-helixtrans-73.5-40.5175.5-69-170.6000112.9R335 Q336 E337 Y341 N342 P344R335-L339 WeakPolarHBondContact O-CG 3.39Å; R335-L339 PolarHBondContact O-N 3.07Å; Q336-L339 PolarHBondContact O-N 3.49Å; Q336-L339 VanDerWaalsContact O-N 3.15Å; E337-L339 VanDerWaalsContact C-N 3.29Å; E337-L339 PolarHBondContact O-N 2.87Å; L339-Y341 PolarHBondContact O-N 3.22Å; L339-N342 PolarHBondContact O-N 3.11Å; L339-P344 HydrophobicContact CD2-CG 3.7Å
340D89.8Confident85.5Confident114 Ų11458.6 Ų58.661%0.6129%0.287SS*.Hα-helixtrans-61.9-33-176.6-68-15.3000111.7Q336 E337Q336-D340 PolarHBondContact NE2-OD1 3.48Å; Q336-D340 PolarHBondContact O-N 3.27Å; E337-D340 PolarHBondContact O-N 3.36Å
341Y89.2Confident85Confident124 Ų12460 Ų6049%0.48629%0.294SS..THydrogen-bonded Turntrans-91.19174.9-73.3-80.4000114.4T323 L324 E337 L339 C343T323-Y341 HydrophobicContact CG2-CD1 3.52Å; T323-Y341 HydrophobicContact CG2-CE1 4.05Å; T323-Y341 HydrophobicContact CG2-CG 4.17Å; L324-Y341 HydrophobicContact CD1-CD2 4.33Å; L324-Y341 HydrophobicContact CD2-CD2 3.62Å; L324-Y341 HydrophobicContact CD2-CE2 3.81Å; L324-Y341 HydrophobicContact CD2-CG 4.13Å; L324-Y341 HydrophobicContact CG-CD2 4.21Å; L324-Y341 HydrophobicContact CG-CG 4.41Å; E337-Y341 HydrophobicContact CG-CD2 3.85Å; E337-Y341 HydrophobicContact CG-CE2 3.87Å; E337-Y341 WeakPolarHBondContact O-CD2 3.32Å; E337-Y341 PolarHBondContact O-N 3.27Å; E337-Y341 VanDerWaalsContact O-N 3.12Å; L339-Y341 PolarHBondContact O-N 3.22Å; Y341-C343 PolarHBondContact O-N 3.23Å; Y341-C343 VanDerWaalsContact O-N 3.15Å
342N87.6Confident84.1Confident102 Ų10266.9 Ų66.955%0.54533%0.326SS..THydrogen-bonded Turntrans55.629.4179.5-160.142.3000114.1L339 P344 E345 E346L339-N342 PolarHBondContact O-N 3.11Å; N342-P344 VanDerWaalsContact C-N 3.33Å; N342-E345 PolarHBondContact O-N 2.99Å; N342-E346 PolarHBondContact O-N 2.75Å
343C89.2Confident82.7Confident0 Ų072 Ų720%035%0.353CS..Hα-helixtrans-58.5-29.3179.1-63.90000114.9C321 L324 W338 Y341 E345 E346 S347C321-C343 HydrophobicContact CB-CB 3.55Å; C321-C343 WeakPolarHBondContact CB-SG 3.46Å; C321-C343 WeakPolarHBondContact SG-CB 3.15Å; C321-C343 CovalentContact SG-SG 2.04Å; C321-C343 PolarHBondContact SG-SG 3.1Å; L324-C343 VanDerWaalsContact CD1-SG 3.57Å; W338-C343 HydrophobicContact CD2-CB 3.41Å; W338-C343 VanDerWaalsContact CD2-CB 3.41Å; W338-C343 HydrophobicContact CE3-CB 3.8Å; W338-C343 HydrophobicContact CG-CB 3.84Å; W338-C343 HydrophobicContact CH2-CB 4.08Å; W338-C343 HydrophobicContact CZ2-CB 3.71Å; W338-C343 HydrophobicContact CZ3-CB 4.12Å; W338-C343 VanDerWaalsContact O-CB 3.26Å; W338-C343 WeakPolarHBondContact O-CB 3.43Å; W338-C343 PolarHBondContact O-N 3.23Å; W338-C343 VanDerWaalsContact O-N 3.12Å; Y341-C343 PolarHBondContact O-N 3.23Å; Y341-C343 VanDerWaalsContact O-N 3.15Å; C343-E345 PolarHBondContact O-N 2.94Å; C343-E346 PolarHBondContact O-N 3.25Å; C343-S347 VanDerWaalsContact O-CB 3.25Å; C343-S347 WeakPolarHBondContact O-CB 3.31Å; C343-S347 PolarHBondContact O-N 3.06Å; C343-S347 PolarHBondContact O-OG 3.41Å; C343-S347 VanDerWaalsContact O-OG 3.11Å
344P85.8Confident81.3Confident40 Ų4074 Ų7426%0.2636%0.362SS..Hα-helixtrans-61.3-27.4176.3-24.633.3000114.9L339 N342 K348L339-P344 HydrophobicContact CD2-CG 3.7Å; N342-P344 VanDerWaalsContact C-N 3.33Å; P344-K348 VanDerWaalsContact O-CE 3.31Å; P344-K348 WeakPolarHBondContact O-CE 3.42Å
345E81.6Confident79.4Confident109 Ų10977.7 Ų77.751%0.50938%0.383SS..Hα-helixtrans-87.8-37.5174.9-65-56.6134.400111N342 C343 S347 K348N342-E345 PolarHBondContact O-N 2.99Å; C343-E345 PolarHBondContact O-N 2.94Å; E345-S347 PolarHBondContact O-N 3.33Å; E345-K348 PolarHBondContact O-N 3.01Å; E345-K348 IonicContact OE1-NZ 3.26Å; E345-K348 PolarHBondContact OE1-NZ 3.41Å; E345-K348 IonicContact OE2-NZ 3.38Å; E345-K348 PolarHBondContact OE2-NZ 3.29Å
346E77.9Confident77.5Confident26 Ų2680.8 Ų80.812%0.12141%0.409CS..Hα-helixtrans-61.7-41.6177.3-160.3-175.5138.900112.2N322 T323 N342 C343 K348 G349 Y354N322-E346 VanDerWaalsContact CA-OE1 3.27Å; N322-E346 WeakPolarHBondContact CA-OE1 3.25Å; N322-E346 WeakPolarHBondContact CB-OE1 3.21Å; N322-E346 PolarHBondContact N-OE1 3.49Å; T323-E346 PolarHBondContact N-OE1 3.12Å; T323-E346 VanDerWaalsContact N-OE1 3.07Å; T323-E346 PolarHBondContact OG1-OE2 3.16Å; N342-E346 PolarHBondContact O-N 2.75Å; C343-E346 PolarHBondContact O-N 3.25Å; E346-K348 PolarHBondContact O-N 3.38Å; E346-G349 PolarHBondContact O-N 3.46Å; E346-Y354 HydrophobicContact CG-CE1 4.03Å; E346-Y354 WeakPolarHBondContact CG-OH 3.42Å
347S75.6Confident75.1Confident27 Ų2785 Ų8519%0.18944%0.438CS..THydrogen-bonded Turntrans-71.4-4.5-17469.70000115W320 C343 E345 G349W320-S347 VanDerWaalsContact O-CA 3.28Å; W320-S347 WeakPolarHBondContact O-CA 3.28Å; W320-S347 WeakPolarHBondContact O-CB 3.31Å; C343-S347 VanDerWaalsContact O-CB 3.25Å; C343-S347 WeakPolarHBondContact O-CB 3.31Å; C343-S347 PolarHBondContact O-N 3.06Å; C343-S347 PolarHBondContact O-OG 3.41Å; C343-S347 VanDerWaalsContact O-OG 3.11Å; E345-S347 PolarHBondContact O-N 3.33Å; S347-G349 VanDerWaalsContact C-N 3.32Å
348K73.4Confident72.7Confident143 Ų14388.4 Ų88.462%0.62246%0.457SS*.THydrogen-bonded Turntrans-80.9-13.7171-59.7174.9-170.6163.80112.4P344 E345 E346P344-K348 VanDerWaalsContact O-CE 3.31Å; P344-K348 WeakPolarHBondContact O-CE 3.42Å; E345-K348 PolarHBondContact O-N 3.01Å; E345-K348 IonicContact OE1-NZ 3.26Å; E345-K348 PolarHBondContact OE1-NZ 3.41Å; E345-K348 IonicContact OE2-NZ 3.38Å; E345-K348 PolarHBondContact OE2-NZ 3.29Å; E346-K348 PolarHBondContact O-N 3.38Å
349G69.9Low70.5Confident26 Ų2693.1 Ų93.127%0.26849%0.489SS..SBendtrans-79.4172.1178.300000113.9E346 S347E346-G349 PolarHBondContact O-N 3.46Å; S347-G349 VanDerWaalsContact C-N 3.32Å
350K75.6Confident67.8Low145 Ų14598.9 Ų98.963%0.6351%0.514SS*.  trans-93.4156.4174.9-67.9-176.9177.9-1760110.8E352 D353K350-E352 PolarHBondContact O-N 2.99Å; K350-D353 PolarHBondContact N-OD2 3.49Å; K350-D353 WeakPolarHBondContact O-CB 3.28Å; K350-D353 PolarHBondContact O-N 3.07Å; K350-D353 VanDerWaalsContact O-N 3.1Å
351C78.9Confident65.2Low39 Ų3997.1 Ų97.126%0.26452%0.515SS..G310 helixtrans-57.4-31.8177.2-56.90000113.5C306 L310 D353C306-C351 HydrophobicContact CB-CB 3.77Å; C306-C351 WeakPolarHBondContact CB-SG 3.36Å; C306-C351 PolarHBondContact O-SG 2.72Å; C306-C351 WeakPolarHBondContact SG-CA 3.25Å; C306-C351 WeakPolarHBondContact SG-CB 3.38Å; C306-C351 CovalentContact SG-SG 2.02Å; C306-C351 PolarHBondContact SG-SG 2.78Å; L310-C351 VanDerWaalsContact CD1-SG 3.52Å; C351-D353 VanDerWaalsContact C-N 3.25Å; C351-D353 PolarHBondContact O-N 3.36Å
352E68.4Low62.5Low171 Ų17197.7 Ų97.780%0.79953%0.532SS*.G310 helixtrans-73.6-14.1-178.6-61.9-178.3169.500113.6K350 Y354K350-E352 PolarHBondContact O-N 2.99Å; E352-Y354 PolarHBondContact O-N 3.39Å
353D61.8Low60Low110 Ų110101.1 Ų101.159%0.58855%0.547SS*.G310 helixtrans-75.8-7.7-179.7-62.9-37.1000112.2K350 C351K350-D353 PolarHBondContact N-OD2 3.49Å; K350-D353 WeakPolarHBondContact O-CB 3.28Å; K350-D353 PolarHBondContact O-N 3.07Å; K350-D353 VanDerWaalsContact O-N 3.1Å; C351-D353 VanDerWaalsContact C-N 3.25Å; C351-D353 PolarHBondContact O-N 3.36Å
354Y60.4Low57.2Low78 Ų78105.3 Ų105.331%0.30658%0.576SS.*  trans-116.479.1-174.2-65-83.1000111.5N322 E346 E352 P356N322-Y354 HydrophobicContact CB-CD1 3.69Å; N322-Y354 HydrophobicContact CB-CD2 4.16Å; N322-Y354 HydrophobicContact CB-CE1 4.11Å; N322-Y354 HydrophobicContact CB-CG 3.73Å; N322-Y354 WeakPolarHBondContact ND2-CD1 3.49Å; E346-Y354 HydrophobicContact CG-CE1 4.03Å; E346-Y354 WeakPolarHBondContact CG-OH 3.42Å; E352-Y354 PolarHBondContact O-N 3.39Å; Y354-P356 WeakPolarHBondContact O-CD 3Å
355N53Low54.8Low143 Ų143108.3 Ų108.377%0.76560%0.598SS**  trans-71.6122.6158.1-87-40.3000108.4V357N355-V357 PolarHBondContact O-N 3.42Å
356P49.3Very low52.5Low109 Ų109111.7 Ų111.771%0.70861%0.612SS**  trans-61.6114.6163.325.7-29000106.5Y354 L358Y354-P356 WeakPolarHBondContact O-CD 3Å; P356-L358 PolarHBondContact O-N 3.07Å
357V39.7Very low50.3Low139 Ų139118.4 Ų118.484%0.84265%0.648SS**  trans-6589.2161.7179.50000105.4N355N355-V357 PolarHBondContact O-N 3.42Å
358L39.2Very low48.2Very low137 Ų137125 Ų12572%0.71768%0.679SS**  trans-57127.2163.9-168.370.9000105.6P356 E360P356-L358 PolarHBondContact O-N 3.07Å; L358-E360 PolarHBondContact O-N 3.42Å; L358-E360 VanDerWaalsContact O-N 3.11Å
359P42.7Very low46.1Very low107 Ų107125.8 Ų125.870%0.69569%0.69SS**  trans-56.2125.4169.3-13.826000106.4A361P359-A361 VanDerWaalsContact C-N 3.3Å; P359-A361 PolarHBondContact O-N 3.41Å
360E33.8Very low44.3Very low187 Ų187130 Ų13087%0.87472%0.715SS**  trans-50.496.6176-79.2173.9135.600109.2L358 T362L358-E360 PolarHBondContact O-N 3.42Å; L358-E360 VanDerWaalsContact O-N 3.11Å; E360-T362 VanDerWaalsContact C-N 3.3Å; E360-T362 PolarHBondContact O-N 3.48Å
361A35.7Very low42.2Very low77 Ų77129.1 Ų129.164%0.63672%0.724SS**  trans-66.3100.8163.400000105.1P359 M363P359-A361 VanDerWaalsContact C-N 3.3Å; P359-A361 PolarHBondContact O-N 3.41Å; A361-M363 VanDerWaalsContact C-N 3.27Å; A361-M363 PolarHBondContact O-N 3.36Å
362T32.3Very low39.8Very low136 Ų136135.9 Ų135.983%0.83475%0.752SS**  trans-5896.2169-39.90000107.2E360 S364E360-T362 VanDerWaalsContact C-N 3.3Å; E360-T362 PolarHBondContact O-N 3.48Å; T362-S364 VanDerWaalsContact C-N 3.25Å; T362-S364 PolarHBondContact O-N 3.45Å
363M35.5Very low38.4Very low175 Ų175133.2 Ų133.286%0.86275%0.749SS**  trans-66.585.4171.3-85.8-94.915500108.5A361A361-M363 VanDerWaalsContact C-N 3.27Å; A361-M363 PolarHBondContact O-N 3.36Å
364S30.6Very low36.7Very low88 Ų88134.5 Ų134.562%0.61576%0.761SS**  trans-86.8106.1159.1179.40000108.1T362 F366T362-S364 VanDerWaalsContact C-N 3.25Å; T362-S364 PolarHBondContact O-N 3.45Å; S364-F366 PolarHBondContact O-N 3.43Å
365S35.5Very low35Very low102 Ų102136.6 Ų136.671%0.71378%0.783SS**  trans-64.5115.5175-20.80000110.1
366F32.8Very low33.7Very low181 Ų181134.6 Ų134.679%0.79478%0.78SS**  trans-138.6107.2154.3-77.6-73.1000109.5S364 I368S364-F366 PolarHBondContact O-N 3.43Å; F366-I368 PolarHBondContact O-N 3.39Å
367N32.9Very low32.8Very low166 Ų166138.9 Ų138.989%0.88879%0.788SS**  trans-57.9121.4167.6-72.7-31.8000110
368I31.5Very low32.2Very low165 Ų165136.2 Ų136.285%0.84678%0.78SS**  trans-136.8123.9152.3-61.1-174.9000109.3F366F366-I368 PolarHBondContact O-N 3.39Å
369L29.4Very low31.6Very low161 Ų161136.5 Ų136.584%0.84378%0.783SS**  trans-48.2140.4176.1-125.371.6000113.4
370S31.4Very low30.8Very low113 Ų113137.5 Ų137.579%0.7978%0.781SS**  trans-60.7152160.2-49.50000111.6
371P31.4Very low30.6Very low127 Ų127136.2 Ų136.283%0.82578%0.775SS**  -132.2148.1128.919.9-0.3000113.8
372E27.4Very low30.2Very low181 Ų181139.1 Ų139.185%0.84678%0.776SS**  trans-56.6159.5174.7-174.1174.2165.700114.1
373P40.2Very low30.2Very low115 Ų115140.2 Ų140.275%0.74777%0.771SS**  trans-89.2151.4-17234.6-29.8000112.5
374T25.1Very low30.6Very low137 Ų137136.5 Ų136.584%0.8476%0.76SS**  trans-141.5130.9162.4-52.70000111.9
375T25Very low30.3Very low123 Ų123139.1 Ų139.176%0.75577%0.772SS**  trans-55.6150.5171.6-22.30000113.7
376S26.8Very low30Very low101 Ų101139.9 Ų139.971%0.70677%0.773SS**  trans139.6122131.660.30000117.2
377F28.9Very low29.8Very low198 Ų198143 Ų14387%0.86878%0.779SS**  trans59.6114.6131.8-70.7-83000123.4
378A27.6Very low29.6Very low83 Ų83142.1 Ų142.169%0.68677%0.774SS**  73.1129.2119.700000123.4
379D26.1Very low29.6Very low144 Ų144142.5 Ų142.577%0.7778%0.776SS**  109.1125.4128.3-92.4-15.6000123.6
380L27.8Very low29.7Very low128 Ų128143.1 Ų143.167%0.6778%0.775SS**  trans83.7117.2138.4-71162000123.8
381E28.1Very low30.6Very low160 Ų160142.4 Ų142.475%0.74877%0.768SS**  33150.3122.3-76.5-168.6146.500120.8
382E28.8Very low30.2Very low137 Ų137142.4 Ų142.464%0.6477%0.771SS**  cis-170.9147.418.2-128.2-165.7148.300111.6
383Q31Very low30.5Very low159 Ų159138.8 Ų138.874%0.74377%0.766SS**  trans59.7172.3138.4-85-169.93.800125
384P43.7Very low30.6Very low98 Ų98138.8 Ų138.864%0.63677%0.766SS**  -139.3-172-51.640.8-22.8000112.8
385V25.1Very low30.9Very low142 Ų142139.3 Ų139.386%0.86176%0.763SS**  trans-178.4132.6133.7165.20000111.4
386T29.1Very low31.3Very low118 Ų118142.9 Ų142.972%0.72477%0.771SS**  trans-115.2152.9174.6-26.30000110.3
387R27.5Very low31.6Very low248 Ų248149.6 Ų149.694%0.93678%0.781SS**  trans-175131136.1-106.9-177.6-173.4-177.53.3114.8
388D30.3Very low32Very low146 Ų146143.5 Ų143.578%0.78177%0.774SS**  trans-84.8160.1170.6-56.1-63.6000113.8
389I30.4Very low32.7Very low173 Ų173146.9 Ų146.989%0.88778%0.779SS**  trans-157.9126.7143.8-63.1-165.5000111.4
390E31.2Very low34Very low174 Ų174145.5 Ų145.581%0.81378%0.776SS**  trans-90.4-167.6166.4-134.8-164.8140.900110.8
391P51.3Low35.4Very low99 Ų99147 Ų14764%0.64378%0.779SS**  cis-138.8178.9-20.736.4-15.7000115.3
392S23.7Very low36.9Very low126 Ų126145 Ų14588%0.88177%0.774SS**  163141.3128.2520000115.6
393S32.4Very low38.3Very low106 Ų106143.5 Ų143.574%0.74177%0.774SS**  trans-110.2163.9171.7-166.40000109.1
394P43.1Very low39.9Very low115 Ų115139.6 Ų139.675%0.74777%0.769SS**  -158.1151.281.937.2-14000119.7
395N30.7Very low41.3Very low147 Ų147140.3 Ų140.379%0.78677%0.766SS**  trans40.8133.6138-67.9-22.3000125.5
396H32.9Very low43.6Very low198 Ų198138.8 Ų138.892%0.91775%0.752SS**  -155.6154.5126.9-113.1-76.9000114
397R34.2Very low45.7Very low242 Ų242135.9 Ų135.991%0.91374%0.74SS**  trans-81.7135.3-162.4-104.3168.8168.6-164.1-1.5116.5
398G37.4Very low48.2Very low70 Ų70126 Ų12672%0.72272%0.716SS**  50.9125.3122.700000123.7
399I41.6Very low50.8Low155 Ų155123 Ų12380%0.79570%0.702SS**  177.7124.6119-87.5157.9000110.7
400T54.1Low53.5Low115 Ų115118.7 Ų118.771%0.70668%0.684SS**  trans4684.2161.259.70000120.7
401E56.2Low56.1Low159 Ų159113.1 Ų113.174%0.74367%0.668SS**  trans-103.5-9.8173.6-73.9-175147.800115.7
402N60.5Low57.8Low119 Ų119111 Ų11164%0.63666%0.658SS**Hα-helixtrans-89.1-19.9-172.7-58.7-15.3000114I406N402-I406 VanDerWaalsContact O-CD1 3.3Å; N402-I406 WeakPolarHBondContact O-CD1 3.31Å; N402-I406 WeakPolarHBondContact O-CG1 3.44Å; N402-I406 PolarHBondContact O-N 3.35Å
403T58.9Low60.9Low105 Ų105110 Ų11064%0.64464%0.642SS**Hα-helixtrans-76.7-34.1-178.2-48.50000112.1A407T403-A407 WeakPolarHBondContact O-CB 3.49Å; T403-A407 PolarHBondContact O-N 2.95Å
404A64Low63.7Low76 Ų76109 Ų10963%0.62863%0.632SS**Hα-helixtrans-69.8-38.3179.300000112.1G408A404-G408 PolarHBondContact O-N 3.49Å
405I73.4Confident66Low113 Ų113108.3 Ų108.358%0.57962%0.621SS**Hα-helixtrans-71.4-44.5179.2-58.9173.2000110.3A407 G408 V409I405-A407 PolarHBondContact O-N 3.35Å; I405-G408 PolarHBondContact O-N 3.23Å; I405-V409 WeakPolarHBondContact O-CG2 3.42Å; I405-V409 PolarHBondContact O-N 2.77Å
406I73.3Confident68.9Low110 Ų110106.4 Ų106.456%0.56461%0.61SS**Hα-helixtrans-65.1-41.3177.7-64.3167.5000110.6N402 G408 V409 V410N402-I406 VanDerWaalsContact O-CD1 3.3Å; N402-I406 WeakPolarHBondContact O-CD1 3.31Å; N402-I406 WeakPolarHBondContact O-CG1 3.44Å; N402-I406 PolarHBondContact O-N 3.35Å; I406-G408 VanDerWaalsContact C-N 3.32Å; I406-G408 PolarHBondContact O-N 3.1Å; I406-V409 PolarHBondContact O-N 3.05Å; I406-V410 HydrophobicContact CG2-CG2 4.36Å; I406-V410 WeakPolarHBondContact O-CB 3.31Å; I406-V410 VanDerWaalsContact O-CG2 3.26Å; I406-V410 WeakPolarHBondContact O-CG2 3.36Å; I406-V410 PolarHBondContact O-N 3.28Å
407A72.2Confident71.8Confident58 Ų58100.9 Ų100.948%0.47959%0.59SS.*Hα-helixtrans-62.5-39.3174.400000112.1T403 I405 A411T403-A407 WeakPolarHBondContact O-CB 3.49Å; T403-A407 PolarHBondContact O-N 2.95Å; I405-A407 PolarHBondContact O-N 3.35Å; A407-A411 VanDerWaalsContact O-CB 3.24Å; A407-A411 WeakPolarHBondContact O-CB 3.3Å; A407-A411 PolarHBondContact O-N 3.43Å
408G80Confident74.4Confident41 Ų4192.4 Ų92.442%0.42357%0.566SS.*Hα-helixtrans-63.7-44.6175.600000113.1A404 I405 I406 A411 A412A404-G408 PolarHBondContact O-N 3.49Å; I405-G408 PolarHBondContact O-N 3.23Å; I406-G408 VanDerWaalsContact C-N 3.32Å; I406-G408 PolarHBondContact O-N 3.1Å; G408-A411 PolarHBondContact O-N 3.34Å; G408-A412 WeakPolarHBondContact O-CB 2.93Å; G408-A412 PolarHBondContact O-N 3.06Å
409V85.7Confident77Confident82 Ų8293.9 Ų93.950%0.49756%0.557SS.*Hα-helixtrans-66.8-42.3178.2174.80000111.2I405 I406 A412 L413I405-V409 WeakPolarHBondContact O-CG2 3.42Å; I405-V409 PolarHBondContact O-N 2.77Å; I406-V409 PolarHBondContact O-N 3.05Å; V409-A412 PolarHBondContact O-N 3.28Å; V409-L413 HydrophobicContact CG1-CD1 4.12Å; V409-L413 WeakPolarHBondContact O-CG 3.2Å; V409-L413 PolarHBondContact O-N 3.35Å
410V86.1Confident79.2Confident82 Ų8289.7 Ų89.750%0.49754%0.538SS..Hα-helixtrans-65.7-42.2177.3174.10000110.7I406 A412 L413 V414I406-V410 HydrophobicContact CG2-CG2 4.36Å; I406-V410 WeakPolarHBondContact O-CB 3.31Å; I406-V410 VanDerWaalsContact O-CG2 3.26Å; I406-V410 WeakPolarHBondContact O-CG2 3.36Å; I406-V410 PolarHBondContact O-N 3.28Å; V410-A412 VanDerWaalsContact C-N 3.34Å; V410-A412 PolarHBondContact O-N 3.16Å; V410-L413 PolarHBondContact O-N 2.64Å; V410-V414 WeakPolarHBondContact O-CG2 3.4Å; V410-V414 PolarHBondContact O-N 2.72Å
411A85.8Confident80.9Confident58 Ų5889.6 Ų89.648%0.47953%0.533SS..Hα-helixtrans-62-41.9175.400000111.9A407 G408 V414 L415A407-A411 VanDerWaalsContact O-CB 3.24Å; A407-A411 WeakPolarHBondContact O-CB 3.3Å; A407-A411 PolarHBondContact O-N 3.43Å; G408-A411 PolarHBondContact O-N 3.34Å; A411-V414 PolarHBondContact O-N 2.93Å; A411-L415 WeakPolarHBondContact O-CB 3.19Å; A411-L415 PolarHBondContact O-N 3Å
412A87.4Confident82.5Confident54 Ų5487.1 Ų87.145%0.44652%0.524SS..Hα-helixtrans-63.4-42.1176.600000112.1G408 V409 V410 L415 L416G408-A412 WeakPolarHBondContact O-CB 2.93Å; G408-A412 PolarHBondContact O-N 3.06Å; V409-A412 PolarHBondContact O-N 3.28Å; V410-A412 VanDerWaalsContact C-N 3.34Å; V410-A412 PolarHBondContact O-N 3.16Å; A412-L415 PolarHBondContact O-N 3.49Å; A412-L416 WeakPolarHBondContact O-CB 3.48Å; A412-L416 PolarHBondContact O-N 3.11Å
413L89.6Confident83.6Confident104 Ų10483.7 Ų83.755%0.54551%0.513SS..Hα-helixtrans-65.5-41177.2-76.8169.9000112.2V409 V410 L416 V417V409-L413 HydrophobicContact CG1-CD1 4.12Å; V409-L413 WeakPolarHBondContact O-CG 3.2Å; V409-L413 PolarHBondContact O-N 3.35Å; V410-L413 PolarHBondContact O-N 2.64Å; L413-L416 PolarHBondContact O-N 3.03Å; L413-V417 WeakPolarHBondContact O-CG2 3.42Å; L413-V417 PolarHBondContact O-N 2.97Å
414V90.7Very high84.8Confident86 Ų8682.7 Ų82.752%0.52151%0.506SS..Hα-helixtrans-63.9-43.4175.4173.40000110.3V410 A411 L416 V417 T418V410-V414 WeakPolarHBondContact O-CG2 3.4Å; V410-V414 PolarHBondContact O-N 2.72Å; A411-V414 PolarHBondContact O-N 2.93Å; V414-L416 VanDerWaalsContact C-N 3.33Å; V414-L416 PolarHBondContact O-N 2.94Å; V414-V417 PolarHBondContact O-N 3.49Å; V414-T418 HydrophobicContact CG1-CG2 4.36Å; V414-T418 WeakPolarHBondContact O-CG2 3.49Å; V414-T418 PolarHBondContact O-N 2.94Å; V414-T418 PolarHBondContact O-OG1 3.22Å
415L91.9Very high85.9Confident100 Ų10086.4 Ų86.452%0.52451%0.505SS..Hα-helixtrans-58.5-45.4175.5-120159.8000111.5A411 A412 V417 T418 L419A411-L415 WeakPolarHBondContact O-CB 3.19Å; A411-L415 PolarHBondContact O-N 3Å; A412-L415 PolarHBondContact O-N 3.49Å; L415-V417 PolarHBondContact O-N 3.27Å; L415-T418 WeakPolarHBondContact CA-OG1 3.46Å; L415-T418 PolarHBondContact O-N 3.38Å; L415-T418 PolarHBondContact O-OG1 2.96Å; L415-L419 HydrophobicContact CD2-CD1 4.05Å; L415-L419 HydrophobicContact CD2-CG 4.24Å; L415-L419 WeakPolarHBondContact O-CB 3.37Å; L415-L419 WeakPolarHBondContact O-CG 3.47Å; L415-L419 PolarHBondContact O-N 2.76Å
416L91.5Very high86.3Confident107 Ų10788 Ų8856%0.5650%0.504SS*.Hα-helixtrans-60.8-44.8178.6-127.5161.9000111.8A412 L413 V414 L419 T420A412-L416 WeakPolarHBondContact O-CB 3.48Å; A412-L416 PolarHBondContact O-N 3.11Å; L413-L416 PolarHBondContact O-N 3.03Å; V414-L416 VanDerWaalsContact C-N 3.33Å; V414-L416 PolarHBondContact O-N 2.94Å; L416-L419 PolarHBondContact O-N 2.95Å; L416-T420 HydrophobicContact CD2-CG2 4.2Å; L416-T420 WeakPolarHBondContact O-CG2 3.21Å; L416-T420 PolarHBondContact O-N 2.96Å; L416-T420 PolarHBondContact O-OG1 3.35Å
417V92.5Very high86.5Confident82 Ų8288 Ų8850%0.49751%0.505SS..Hα-helixtrans-67.5-37.9177.6175.70000111.5L413 V414 L415 T420 L421L413-V417 WeakPolarHBondContact O-CG2 3.42Å; L413-V417 PolarHBondContact O-N 2.97Å; V414-V417 PolarHBondContact O-N 3.49Å; L415-V417 PolarHBondContact O-N 3.27Å; V417-T420 WeakPolarHBondContact CA-OG1 3.26Å; V417-T420 PolarHBondContact O-N 2.95Å; V417-T420 PolarHBondContact O-OG1 3.15Å; V417-L421 HydrophobicContact CG1-CD1 4.06Å; V417-L421 HydrophobicContact CG1-CG 4.46Å; V417-L421 WeakPolarHBondContact O-CB 3.46Å; V417-L421 WeakPolarHBondContact O-CG 3.41Å; V417-L421 PolarHBondContact O-N 3.27Å
418T89.4Confident86.6Confident64 Ų6491.4 Ų91.439%0.39352%0.515SS..Hα-helixtrans-66.9-39.3175.857.60000112.2V414 L415 L421 L422V414-T418 HydrophobicContact CG1-CG2 4.36Å; V414-T418 WeakPolarHBondContact O-CG2 3.49Å; V414-T418 PolarHBondContact O-N 2.94Å; V414-T418 PolarHBondContact O-OG1 3.22Å; L415-T418 WeakPolarHBondContact CA-OG1 3.46Å; L415-T418 PolarHBondContact O-N 3.38Å; L415-T418 PolarHBondContact O-OG1 2.96Å; T418-L421 PolarHBondContact O-N 3.11Å; T418-L422 WeakPolarHBondContact O-CB 3.37Å; T418-L422 WeakPolarHBondContact O-CG 3.24Å; T418-L422 PolarHBondContact O-N 2.92Å
419L92.1Very high86.3Confident102 Ų10292.1 Ų92.153%0.53451%0.511SS..Hα-helixtrans-67.3-39176.5-72.4171.8000111.8L415 L416 L422 A423L415-L419 HydrophobicContact CD2-CD1 4.05Å; L415-L419 HydrophobicContact CD2-CG 4.24Å; L415-L419 WeakPolarHBondContact O-CB 3.37Å; L415-L419 WeakPolarHBondContact O-CG 3.47Å; L415-L419 PolarHBondContact O-N 2.76Å; L416-L419 PolarHBondContact O-N 2.95Å; L419-L422 PolarHBondContact O-N 3.43Å; L419-A423 WeakPolarHBondContact O-CB 3.33Å; L419-A423 PolarHBondContact O-N 3.45Å
420T88.3Confident85.6Confident66 Ų6693 Ų9341%0.40551%0.509SS..Hα-helixtrans-68.3-41.2176.661.10000111.7L416 V417 A423 V424L416-T420 HydrophobicContact CD2-CG2 4.2Å; L416-T420 WeakPolarHBondContact O-CG2 3.21Å; L416-T420 PolarHBondContact O-N 2.96Å; L416-T420 PolarHBondContact O-OG1 3.35Å; V417-T420 WeakPolarHBondContact CA-OG1 3.26Å; V417-T420 PolarHBondContact O-N 2.95Å; V417-T420 PolarHBondContact O-OG1 3.15Å; T420-A423 PolarHBondContact O-N 2.9Å; T420-V424 WeakPolarHBondContact O-CB 3.35Å; T420-V424 VanDerWaalsContact O-CG2 3.29Å; T420-V424 WeakPolarHBondContact O-CG2 3.33Å; T420-V424 PolarHBondContact O-N 3.47Å
421L90.3Very high84.3Confident113 Ų11394.4 Ų94.459%0.59252%0.52SS*.Hα-helixtrans-64.9-39.1174.5-72.3173.7000112.1V417 T418 V424 Y425V417-L421 HydrophobicContact CG1-CD1 4.06Å; V417-L421 HydrophobicContact CG1-CG 4.46Å; V417-L421 WeakPolarHBondContact O-CB 3.46Å; V417-L421 WeakPolarHBondContact O-CG 3.41Å; V417-L421 PolarHBondContact O-N 3.27Å; T418-L421 PolarHBondContact O-N 3.11Å; L421-V424 PolarHBondContact O-N 2.96Å; L421-Y425 WeakPolarHBondContact O-CB 3.33Å; L421-Y425 PolarHBondContact O-N 2.99Å
422L88.6Confident82.9Confident107 Ų10797.4 Ų97.456%0.5653%0.533SS*.Hα-helixtrans-65.6-40.1173.8-79.2168.8000112T418 L419 Y425 Y426T418-L422 WeakPolarHBondContact O-CB 3.37Å; T418-L422 WeakPolarHBondContact O-CG 3.24Å; T418-L422 PolarHBondContact O-N 2.92Å; L419-L422 PolarHBondContact O-N 3.43Å; L422-Y425 PolarHBondContact O-N 3.33Å; L422-Y426 WeakPolarHBondContact O-CB 3.32Å; L422-Y426 PolarHBondContact O-N 3.45Å
423A84.1Confident81Confident48 Ų48101.6 Ų101.640%0.39755%0.553SS.*Hα-helixtrans-64.5-45.4175.500000111.4L419 T420 Y426 I427L419-A423 WeakPolarHBondContact O-CB 3.33Å; L419-A423 PolarHBondContact O-N 3.45Å; T420-A423 PolarHBondContact O-N 2.9Å; A423-Y426 PolarHBondContact O-N 2.94Å; A423-I427 WeakPolarHBondContact O-CB 3.4Å; A423-I427 WeakPolarHBondContact O-CD1 3.49Å; A423-I427 WeakPolarHBondContact O-CG1 3.33Å; A423-I427 PolarHBondContact O-N 3.35Å
424V83.4Confident79Confident83 Ų83100.4 Ų100.450%0.50356%0.558SS.*Hα-helixtrans-64.5-42.3176.6172.10000111.1T420 L421 N428T420-V424 WeakPolarHBondContact O-CB 3.35Å; T420-V424 VanDerWaalsContact O-CG2 3.29Å; T420-V424 WeakPolarHBondContact O-CG2 3.33Å; T420-V424 PolarHBondContact O-N 3.47Å; L421-V424 PolarHBondContact O-N 2.96Å; V424-N428 WeakPolarHBondContact O-CB 3.35Å; V424-N428 PolarHBondContact O-N 3.4Å
425Y87.6Confident76.9Confident155 Ų155101.7 Ų101.761%0.60857%0.568SS**Hα-helixtrans-60.6-49.3174.5179.7-100.4000110.8L421 L422 I427 N428 T429L421-Y425 WeakPolarHBondContact O-CB 3.33Å; L421-Y425 PolarHBondContact O-N 2.99Å; L422-Y425 PolarHBondContact O-N 3.33Å; Y425-I427 PolarHBondContact O-N 3.42Å; Y425-N428 CarbonylContact O-C 3.59Å; Y425-N428 PolarHBondContact O-N 3.35Å; Y425-N428 VanDerWaalsContact O-N 3.16Å; Y425-T429 HydrophobicContact CD1-CG2 4.28Å; Y425-T429 HydrophobicContact CD2-CG2 4.07Å; Y425-T429 HydrophobicContact CE1-CG2 3.91Å; Y425-T429 HydrophobicContact CE2-CG2 3.68Å; Y425-T429 HydrophobicContact CG-CG2 4.35Å; Y425-T429 WeakPolarHBondContact O-CG2 3.36Å; Y425-T429 PolarHBondContact O-N 2.97Å; Y425-T429 PolarHBondContact O-OG1 3.02Å
426Y81.7Confident74.6Confident145 Ų145102.3 Ų102.357%0.56958%0.578SS**Hα-helixtrans-60.6-43.7179.3-175.2-94.7000112.5L422 A423 N428 T429 H430L422-Y426 WeakPolarHBondContact O-CB 3.32Å; L422-Y426 PolarHBondContact O-N 3.45Å; A423-Y426 PolarHBondContact O-N 2.94Å; Y426-N428 VanDerWaalsContact C-N 3.34Å; Y426-N428 PolarHBondContact O-N 2.94Å; Y426-T429 PolarHBondContact O-N 3.29Å; Y426-T429 PolarHBondContact O-OG1 3.34Å; Y426-H430 AromaticContact CD2-CD2 3.77Å; Y426-H430 AromaticContact CE2-CD2 3.55Å; Y426-H430 WeakPolarHBondContact O-CB 3.44Å; Y426-H430 PolarHBondContact O-N 3.39Å
427I77.8Confident72.4Confident111 Ų111106.7 Ų106.757%0.56959%0.593SS**Hα-helixtrans-63.9-39.7176.1-68.7164.2000110.8A423 Y425 H430A423-I427 WeakPolarHBondContact O-CB 3.4Å; A423-I427 WeakPolarHBondContact O-CD1 3.49Å; A423-I427 WeakPolarHBondContact O-CG1 3.33Å; A423-I427 PolarHBondContact O-N 3.35Å; Y425-I427 PolarHBondContact O-N 3.42Å; I427-H430 CarbonylContact O-C 3.55Å
428N73.4Confident70.3Confident129 Ų129113.8 Ų113.869%0.6961%0.612SS**Hα-helixtrans-76.4-27.7178.7-84.3-15.2000113.6V424 Y425 Y426V424-N428 WeakPolarHBondContact O-CB 3.35Å; V424-N428 PolarHBondContact O-N 3.4Å; Y425-N428 CarbonylContact O-C 3.59Å; Y425-N428 PolarHBondContact O-N 3.35Å; Y425-N428 VanDerWaalsContact O-N 3.16Å; Y426-N428 VanDerWaalsContact C-N 3.34Å; Y426-N428 PolarHBondContact O-N 2.94Å
429T75.1Confident68.3Low57 Ų57118.9 Ų118.935%0.3564%0.636SS.*Hα-helixtrans-89.8-16.8177.657.30000113.4Y425 Y426Y425-T429 HydrophobicContact CD1-CG2 4.28Å; Y425-T429 HydrophobicContact CD2-CG2 4.07Å; Y425-T429 HydrophobicContact CE1-CG2 3.91Å; Y425-T429 HydrophobicContact CE2-CG2 3.68Å; Y425-T429 HydrophobicContact CG-CG2 4.35Å; Y425-T429 WeakPolarHBondContact O-CG2 3.36Å; Y425-T429 PolarHBondContact O-N 2.97Å; Y425-T429 PolarHBondContact O-OG1 3.02Å; Y426-T429 PolarHBondContact O-N 3.29Å; Y426-T429 PolarHBondContact O-OG1 3.34Å
430H70.2Confident65.6Low99 Ų99123.2 Ų123.246%0.45866%0.656SS.*  trans-133.582175.9-61.5-57.5000111.6Y426 I427 T432Y426-H430 AromaticContact CD2-CD2 3.77Å; Y426-H430 AromaticContact CE2-CD2 3.55Å; Y426-H430 WeakPolarHBondContact O-CB 3.44Å; Y426-H430 PolarHBondContact O-N 3.39Å; I427-H430 CarbonylContact O-C 3.55Å; H430-T432 VanDerWaalsContact C-N 3.28Å; H430-T432 PolarHBondContact O-N 3.49Å
431P57.9Low63.2Low112 Ų112128.1 Ų128.173%0.72768%0.675SS**  trans-71.586.2169.929.5-31.8000109.1V433P431-V433 PolarHBondContact O-N 3.28Å
432T57Low60.5Low122 Ų122134 Ų13475%0.74869%0.689SS**  trans-78.4117.6175.850.10000110.3H430H430-T432 VanDerWaalsContact C-N 3.28Å; H430-T432 PolarHBondContact O-N 3.49Å
433V47.2Very low58.1Low141 Ų141139 Ų13986%0.85570%0.7SS**  trans-58.6127.6177.7-177.40000111.7P431P431-V433 PolarHBondContact O-N 3.28Å
434A48.9Very low55.5Low80 Ų80143.3 Ų143.366%0.66172%0.722SS**  trans60.3130.5161.500000119.8
435P45Very low53.4Low113 Ų113146 Ų14673%0.73473%0.733SS**  trans-79.5141.3175.530.7-31.5000112.7
436P44Very low51Low112 Ų112145.4 Ų145.473%0.72774%0.741SS**  trans-93.3100177.734.9-27.8000110.4
437F46.8Very low48.7Very low199 Ų199148.1 Ų148.187%0.87375%0.751SS**  trans-133.856.2160.9-69.5-69.3000110.8
438Y46.9Very low46.5Very low231 Ų231154 Ų15491%0.90677%0.766SS**  trans-93110.9148.3-84.6-88.8000106.4
439L47.9Very low44.5Very low171 Ų171151.3 Ų151.390%0.89576%0.756SS**  trans166.979.1146.6-87.2172000110.6
440M35.8Very low42.4Very low194 Ų194154.3 Ų154.396%0.95678%0.779SS**  trans-155.671.9141.6-86.8-131.9178.400108.8R442M440-R442 PolarHBondContact O-N 3.17Å
441Q36.8Very low40.4Very low169 Ų169156 Ų15679%0.7979%0.789SS**  trans-82.891.2164.8-176.6155.86.500108.8R443Q441-R443 HydrophobicContact CG-CG 4.44Å
442R34.5Very low39.3Very low236 Ų236160.3 Ų160.389%0.89180%0.797SS**  trans-90.898.5160.7-159.4177.4-142.7-177.66.1108.1M440 T444M440-R442 PolarHBondContact O-N 3.17Å; R442-T444 PolarHBondContact O-N 2.76Å; R442-T444 VanDerWaalsContact O-N 3.17Å
443R37.6Very low38Very low212 Ų212163.1 Ų163.180%0.880%0.799SS**  trans-59.7111.8166.2-78.9179.9179171.2-0.8108.8Q441Q441-R443 HydrophobicContact CG-CG 4.44Å
444T31.1Very low37.1Very low139 Ų139166 Ų16685%0.85379%0.794SS**  trans-122.1113.5134.552.10000106.9R442 N446R442-T444 PolarHBondContact O-N 2.76Å; R442-T444 VanDerWaalsContact O-N 3.17Å; T444-N446 PolarHBondContact O-N 3.25Å
445N37.8Very low36.7Very low138 Ų138167.6 Ų167.674%0.73879%0.792SS**  trans-79.9110.4-174.1-174.743.9000107.2
446N36.8Very low35.9Very low144 Ų144169.2 Ų169.277%0.7779%0.79SS**  trans-146.296.1153.4-86.3-24.9000107.4T444 W448T444-N446 PolarHBondContact O-N 3.25Å; N446-W448 PolarHBondContact O-N 3.25Å; N446-W448 VanDerWaalsContact O-N 3.15Å
447Y34.4Very low35.2Very low201 Ų201169.7 Ų169.779%0.78880%0.795SS**  trans-60.4104.1174.1-164.6-92.8000109P449Y447-P449 HydrophobicContact CD1-CG 4.5Å; Y447-P449 HydrophobicContact CE1-CB 4.17Å; Y447-P449 HydrophobicContact CE1-CG 4.46Å
448W31.2Very low34.4Very low234 Ų234165.8 Ų165.889%0.88679%0.792SS**  trans-97.1111157.7-74.595.5000106.7N446 S450N446-W448 PolarHBondContact O-N 3.25Å; N446-W448 VanDerWaalsContact O-N 3.15Å; W448-S450 PolarHBondContact O-N 2.89Å
449P31.9Very low33.8Very low73 Ų73163.9 Ų163.947%0.47479%0.791SS.*  trans-63.7129.3168.623.7-22000106.7Y447 M451Y447-P449 HydrophobicContact CD1-CG 4.5Å; Y447-P449 HydrophobicContact CE1-CB 4.17Å; Y447-P449 HydrophobicContact CE1-CG 4.46Å; P449-M451 PolarHBondContact O-N 2.91Å
450S31.6Very low33.5Very low120 Ų120158.4 Ų158.484%0.83977%0.766SS**  trans-60.282.6162.758.30000108W448 K452W448-S450 PolarHBondContact O-N 2.89Å; S450-K452 VanDerWaalsContact C-N 3.26Å; S450-K452 PolarHBondContact O-N 3.43Å
451M28.1Very low34.6Very low135 Ų135153.3 Ų153.367%0.66575%0.746SS**  trans-69.396.9161-79.9173.475.400105.1P449 F453P449-M451 PolarHBondContact O-N 2.91Å; M451-F453 VanDerWaalsContact C-N 3.28Å; M451-F453 PolarHBondContact O-N 2.9Å
452K34Very low36.1Very low202 Ų202148.5 Ų148.588%0.87872%0.721SS**  trans-50108.3147.8-76.3-176.5175-178.70104.8S450 R454S450-K452 VanDerWaalsContact C-N 3.26Å; S450-K452 PolarHBondContact O-N 3.43Å; K452-R454 PolarHBondContact O-N 3.47Å
453F29.7Very low37.9Very low181 Ų181138.1 Ų138.179%0.79469%0.686SS**  trans-62.295.6170.4-76.2-80000106.6M451 N455M451-F453 VanDerWaalsContact C-N 3.28Å; M451-F453 PolarHBondContact O-N 2.9Å; F453-N455 VanDerWaalsContact C-N 3.32Å; F453-N455 PolarHBondContact O-N 3.46Å
454R28.8Very low39.5Very low201 Ų201133.4 Ų133.476%0.75867%0.674SS**  trans-55.5107.8149.3178176173.9175.9-2.4104.4K452 Q456K452-R454 PolarHBondContact O-N 3.47Å; R454-Q456 VanDerWaalsContact C-N 3.31Å; R454-Q456 PolarHBondContact O-N 2.99Å
455N39.3Very low41.1Very low115 Ų115128.2 Ų128.262%0.61564%0.642SS**  trans-45.395.5172.6-88.9-25.1000109.8F453F453-N455 VanDerWaalsContact C-N 3.32Å; F453-N455 PolarHBondContact O-N 3.46Å
456Q28.7Very low42Very low147 Ų147128.5 Ų128.569%0.68764%0.638SS**  trans-130.7105.7163.2-84.3-175.1-18.900106.5R454R454-Q456 VanDerWaalsContact C-N 3.31Å; R454-Q456 PolarHBondContact O-N 2.99Å
457S30.4Very low42.7Very low121 Ų121126.7 Ų126.785%0.84663%0.628SS**SBendtrans68.168.7157-168.70000117.7
458C29.7Very low42.9Very low118 Ų118119.1 Ų119.180%0.79761%0.612SS**  trans-145.2129.1139.5-98.90000108.1S460C458-S460 VanDerWaalsContact C-N 3.33Å; C458-S460 PolarHBondContact O-N 2.87Å
459H32.9Very low42.9Very low191 Ų191114.3 Ų114.388%0.88461%0.607SS**  trans-64.396.1166.9-74.4-91.2000107.3T461H459-T461 PolarHBondContact O-N 2.89Å
460S43.4Very low43.1Very low55 Ų55118.4 Ų118.439%0.38562%0.62SS.*  trans-65.1115.4168.5-174.30000107C458 Y462C458-S460 VanDerWaalsContact C-N 3.33Å; C458-S460 PolarHBondContact O-N 2.87Å; S460-Y462 PolarHBondContact O-N 3.48Å; S460-Y462 PolarHBondContact OG-O 3.35Å
461T58Low43.8Very low87 Ų87115.6 Ų115.653%0.53459%0.594SS.*SBendtrans-76.9-3.1-179.149.30000113.2H459H459-T461 PolarHBondContact O-N 2.89Å
462Y67.4Low44.4Very low68 Ų68118.3 Ų118.327%0.26760%0.602SS.*SBendtrans-132153.9-17957.5-90.8000111F256 Y274 E275 S460F256-Y462 HydrophobicContact CE1-CD2 4.36Å; F256-Y462 HydrophobicContact CE1-CG 4.23Å; F256-Y462 HydrophobicContact CZ-CD2 4.18Å; F256-Y462 HydrophobicContact CZ-CE2 4.24Å; F256-Y462 HydrophobicContact CZ-CG 4.44Å; Y274-Y462 AromaticContact CD1-CD2 3.75Å; Y274-Y462 HydrophobicContact CD1-CD2 3.75Å; Y274-Y462 AromaticContact CD1-CE2 3.93Å; Y274-Y462 HydrophobicContact CD1-CE2 3.93Å; Y274-Y462 HydrophobicContact CE1-CE2 4.39Å; Y274-Y462 HydrophobicContact CG-CD2 4.16Å; Y274-Y462 HydrophobicContact CG-CE2 4.4Å; E275-Y462 CarbonylContact O-C 3.52Å; E275-Y462 VanDerWaalsContact O-CA 3.25Å; E275-Y462 WeakPolarHBondContact O-CA 3.29Å; E275-Y462 VanDerWaalsContact O-CB 3.28Å; E275-Y462 WeakPolarHBondContact O-CB 3.39Å; S460-Y462 PolarHBondContact O-N 3.48Å; S460-Y462 PolarHBondContact OG-O 3.35Å
463A73.9Confident45.2Very low19 Ų19114.8 Ų114.816%0.15759%0.589CS.*EExtended strand (participates in β ladder)trans-115.3139.2179.400000110.5R79 V81 Y274 E275R79-A463 WeakPolarHBondContact O-CB 3.16Å; V81-A463 HydrophobicContact CG2-CB 3.67Å; Y274-A463 WeakPolarHBondContact CA-O 3.26Å; E275-A463 PolarHBondContact N-O 2.84Å; E275-A463 PolarHBondContact O-N 2.88Å
464E69.5Low46.6Very low113 Ų113107.7 Ų107.753%0.52857%0.566SS.*EExtended strand (participates in β ladder)trans-67.9132.8168-175.3169.8175.600108.8T272 Y274 E466T272-E464 HydrophobicContact CG2-CG 3.71Å; T272-E464 WeakPolarHBondContact CG2-OE1 3.28Å; Y274-E464 HydrophobicContact CD1-CB 4.04Å; Y274-E464 HydrophobicContact CD1-CG 4.49Å; Y274-E464 HydrophobicContact CE1-CB 3.75Å; Y274-E464 HydrophobicContact CE1-CG 3.99Å; E464-E466 PolarHBondContact O-N 2.82Å
465V65.6Low48.3Very low30 Ų3099 Ų9918%0.18253%0.534CS..  trans-83.8102.6175.2-177.40000108A167 T168 I273 E275 L467A167-V465 HydrophobicContact CB-CG1 4.14Å; T168-V465 HydrophobicContact CG2-CB 4.19Å; T168-V465 HydrophobicContact CG2-CG1 4.12Å; T168-V465 HydrophobicContact CG2-CG2 3.54Å; I273-V465 PolarHBondContact O-N 3.31Å; E275-V465 HydrophobicContact CB-CG2 3.83Å; V465-L467 PolarHBondContact O-N 2.95Å
466E55.9Low49.8Very low143 Ų14398.7 Ų98.767%0.66853%0.531SS*.  trans-59.2122.7174.4-68.5-175.4175.300109.3E464 G468E464-E466 PolarHBondContact O-N 2.82Å; E466-G468 PolarHBondContact O-N 3.47Å
467L51.3Low51.8Low106 Ų10694.9 Ų94.956%0.55551%0.513SS*.  trans-70.780.2174.3-62.2169.6000108.1M164 V465 V469M164-L467 HydrophobicContact CE-CB 4.18Å; M164-L467 HydrophobicContact CE-CD2 3.76Å; M164-L467 HydrophobicContact SD-CD2 3.32Å; M164-L467 WeakPolarHBondContact SD-CD2 3.38Å; V465-L467 PolarHBondContact O-N 2.95Å; L467-V469 PolarHBondContact O-N 2.81Å
468G38.7Very low53.3Low43 Ų4389.6 Ų89.644%0.44348%0.477SS..  trans-58.1131.9-178.600000111.7E466 H470E466-G468 PolarHBondContact O-N 3.47Å; G468-H470 PolarHBondContact O-N 2.91Å
469V32.7Very low53.9Low132 Ų13291.7 Ų91.780%0.848%0.475SS*.THydrogen-bonded Turntrans-62.8-2.7175.7177.30000112.8L467L467-V469 PolarHBondContact O-N 2.81Å
470H35.1Very low54.2Low160 Ų16089.3 Ų89.374%0.74146%0.464SS*.THydrogen-bonded Turntrans-93.1-11.6-175.2-70.9-68.1000115.5G468 K472G468-H470 PolarHBondContact O-N 2.91Å; H470-K472 VanDerWaalsContact C-N 3.28Å; H470-K472 PolarHBondContact O-N 3.16Å
471E46.6Very low53.6Low60 Ų6092.4 Ų92.428%0.2848%0.484SS..  trans-8373169.4-70.1-168.6169.900110.2M164 T166 E473M164-E471 VanDerWaalsContact CB-OE2 3.28Å; M164-E471 WeakPolarHBondContact CB-OE2 3.31Å; M164-E471 WeakPolarHBondContact CG-OE2 3.5Å; T166-E471 PolarHBondContact OG1-OE1 3.5Å; E471-E473 PolarHBondContact O-N 3.44Å
472K40.3Very low52.3Low192 Ų19297.3 Ų97.384%0.83552%0.52SS*.  trans-64.4-20.8-178.3-93.9-176.2174.9177.80113.8H470H470-K472 VanDerWaalsContact C-N 3.28Å; H470-K472 PolarHBondContact O-N 3.16Å
473E51Low51.6Low129 Ų12998.8 Ų98.860%0.60353%0.533SS*.SBendtrans-149.2109.1-177.1-64.5170.6-177.200110.1R126 E471R126-E473 IonicContact NH1-OE2 3.81Å; R126-E473 PolarHBondContact NH1-OE2 3.3Å; E471-E473 PolarHBondContact O-N 3.44Å
474G58.5Low50.4Low31 Ų31103 Ų10332%0.3255%0.553SS.*PPolyproline II helixtrans-75.7169.1177.400000113.3R163R163-G474 WeakPolarHBondContact O-CA 3.21Å
475F64.8Low49.3Very low20 Ų20102.4 Ų102.49%0.08855%0.554CS.*PPolyproline II helixtrans-68.1137.2174-76-98.6000110.9R126 A128 A150 F154 L165 T166 H246R126-F475 VanDerWaalsContact C-CD1 3.43Å; R126-F475 HydrophobicContact CB-CD1 4.32Å; R126-F475 HydrophobicContact CB-CE1 4.4Å; R126-F475 HydrophobicContact CG-CE1 4.48Å; R126-F475 HydrophobicContact CG-CZ 4.47Å; R126-F475 WeakPolarHBondContact O-CA 3.33Å; A128-F475 HydrophobicContact CB-CB 4.39Å; A128-F475 HydrophobicContact CB-CD1 4.44Å; A150-F475 HydrophobicContact CB-CD1 4.05Å; A150-F475 HydrophobicContact CB-CE1 3.92Å; F154-F475 HydrophobicContact CE1-CE1 4.22Å; F154-F475 AromaticContact CE1-CE2 3.86Å; F154-F475 HydrophobicContact CE1-CE2 3.86Å; F154-F475 AromaticContact CE1-CZ 3.68Å; F154-F475 HydrophobicContact CE1-CZ 3.68Å; F154-F475 HydrophobicContact CZ-CD2 4.25Å; F154-F475 HydrophobicContact CZ-CE2 4.01Å; F154-F475 HydrophobicContact CZ-CZ 4.2Å; L165-F475 HydrophobicContact CD1-CB 3.93Å; T166-F475 HydrophobicContact CG2-CD2 4.01Å; T166-F475 HydrophobicContact CG2-CE2 3.43Å; T166-F475 VanDerWaalsContact CG2-CE2 3.43Å; T166-F475 HydrophobicContact CG2-CZ 4.37Å; H246-F475 AromaticContact NE2-CE2 3.26Å; H246-F475 VanDerWaalsContact NE2-CE2 3.26Å; H246-F475 WeakPolarHBondContact NE2-CE2 3.19Å; H246-F475 AromaticContact NE2-CZ 3.28Å; H246-F475 VanDerWaalsContact NE2-CZ 3.28Å; H246-F475 WeakPolarHBondContact NE2-CZ 3.49Å
476I71.9Confident48.4Very low107 Ų107106.7 Ų106.755%0.54958%0.576SS.*EExtended strand (participates in β ladder)trans-95.9135.8174.2-57.5171.5000108.2R126 Q127 A128 A478R126-I476 PolarHBondContact O-N 3.39Å; Q127-I476 WeakPolarHBondContact CA-O 3.4Å; Q127-I476 PolarHBondContact OE1-O 2.89Å; A128-I476 PolarHBondContact N-O 3.4Å; I476-A478 PolarHBondContact O-N 2.82Å
477E70.2Confident47.9Very low67 Ų67104.4 Ų104.431%0.31357%0.57SS.*EExtended strand (participates in β ladder)trans-76.8122.6175.5-164.3-177.414900109.6A128 R130 E479A128-E477 CarbonylContact O-C 3.57Å; A128-E477 WeakPolarHBondContact O-CA 3.14Å; R130-E477 WeakPolarHBondContact CD-OE1 3.39Å; R130-E477 VanDerWaalsContact CG-OE1 3.28Å; R130-E477 WeakPolarHBondContact CG-OE1 3.25Å; R130-E477 IonicContact CZ-OE1 2.64Å; R130-E477 IonicContact CZ-OE2 3.48Å; R130-E477 IonicContact NE-OE1 3.12Å; R130-E477 PolarHBondContact NE-OE1 3.07Å; R130-E477 IonicContact NE-OE2 2.83Å; R130-E477 PolarHBondContact NE-OE2 2.89Å; R130-E477 IonicContact NH2-OE1 2.67Å; R130-E477 IonicContact NH2-OE2 3.3Å; R130-E477 PolarHBondContact NH2-OE2 2.79Å; E477-E479 PolarHBondContact O-N 2.98Å
478A61.6Low47.7Very low11 Ų11104.3 Ų104.39%0.09157%0.571CS.*  trans-80.2103.7175.500000109.2I120 A128 A129 I476I120-A478 HydrophobicContact CB-CB 4.15Å; I120-A478 HydrophobicContact CD1-CB 3.81Å; I120-A478 HydrophobicContact CG2-CB 3.73Å; A128-A478 PolarHBondContact O-N 2.86Å; A129-A478 HydrophobicContact CB-CB 4.49Å; I476-A478 PolarHBondContact O-N 2.82Å
479E43.8Very low48.3Very low161 Ų161108.7 Ų108.775%0.75258%0.58SS**  trans-72.1129.5170.6-67.9-173.4170.500110E477 C481E477-E479 PolarHBondContact O-N 2.98Å; E479-C481 PolarHBondContact O-N 2.87Å
480H38.9Very low49.5Very low142 Ų142106.9 Ų106.966%0.65756%0.563SS**  trans-81.9109.1171.4-148.283.4000108.2C482H480-C482 PolarHBondContact O-N 3.42Å; H480-C482 VanDerWaalsContact O-N 3.14Å
481C30.4Very low50.7Low120 Ų120102.5 Ų102.581%0.81155%0.549SS*.  trans-69106.5162.2-67.70000107.5E479E479-C481 PolarHBondContact O-N 2.87Å
482C30.9Very low51.1Low190 Ų190106.4 Ų106.4100%1.28457%0.573SS**  trans-64.70169.3-69.90000111.8H480H480-C482 PolarHBondContact O-N 3.42Å; H480-C482 VanDerWaalsContact O-N 3.14Å

Retrieved 482 of 482 residues in 437.7 ms (Link to these results)