A0A5K4F5G8_SCHMA Loading...

BAH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5G8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,747 aa.

>A0A5K4F5G8_SCHMA|A0A5K4F5G8
MEVQCISKNKLKANGWSTKPCHYPYLDSDSINYHCNLKQETSQYNLLNTNGIHQNSNDISTMLTNHSYIKSNLSPINDSCISNEISPTQNSNHSNNNKNNDDDNEDDDGDDVDQYLPSIMDKQKSLFVSIGVQTDDQLISKCCNKEILSNDNLSNISYFCDKNDTNTTYNDTTNNNNVESLIDAIRCVYAEMKIEQAEMIINNLIEKFAEPSDMYTSVENLPNDNLLFCNIHNTSNGDNKKSLPNEKSLSNPSHTSVSLFSPIFKLLLTQSESQIFPDLYKLSPSGRKLLDLCHRLAFDIRRTKNKLRILQKMRTRQSNQHHYNVRITSTNPNTTTTTDTTNISTHNTTNNVLSNFQNFLNLDKSDSLNNSIKISQDNRRNAFIHYLHDISRNYEIPTSTLTTTTKTTISNHDDPGQFQQLCKDPQLLTHHYCEDNNNDNNNNENQSEKYGNYLEQIITSNSINPPTTTNNNINHHCTAPTYTNPLNCPLSLLSFVSNLNKVSNMEKITDDDSENKKGGEETEGVKGDRRQRRPRKQRQCRRQQSKQKNQQQHHHQHRQRKKLQVNEKFRQNKQKFSSLSNNNGNNHNGKKRDCETLSIPFSSFVSSLSSLSPSLPSISLSTTNNNNNSLNLKHDRITKSTGTYNVNMANVSTMSMNDLTTNKSNTNDLPSKLPSSICSAYYSNKYHPVKSSCSLNVPSLSPSTLSSLCSTSSSNQISTTIIPSSHIHQDNSYRGKRRQVSSPSEEHNKLNNDNDFIQTPSKNRRCSSFNSQKCLTNKQFTESITNNNDNSSVVPMITTTMSSVTSSPRLCYSSSSPNISIDQSTINIHVDKLKESDQCTINDEQNTETFNKTLNDIPKSSSSLSPSCSSFTSLSSSSSSSSSSSSSSSSALTIDSSINPSTCLSGTLWSNSKSTVIHNIITNVDKLKQLRIDIQDSRYEDDENQKEVNSFVVPSVLSPYSPIQPTPPCSPNFSSSTSLSPSSTITLPQNGSKSFKSQPQHQQSTSMTNSCYNRDETSGGWINNRPPTPDIRRSELDLADLSDGTRVLVIQDTYLRAGTLYLGKDSSSLINRMSLNNDYLRDQVFRIHLDTEKFTGSTNSRINNYNRFLSPPPSNHVNNQVVSYSTYRQLSSSSSSSSSSASSSSSNNSCRLFSKNRRRQMDLLLYGWQVVQQAVLEVFPASIRHVPPGTRVCAAWSEQLGVNLYPGTVVKADPDEQQHINNDCVPVDFDDGDHRQVPLTDLRILPDYFTNLCELINITGENNINCLTPCLISSDYLSLRHDSNINNNNGKDNGKFVSRIRRHSDLDHNTSRSYHSWSQSTSPLHDTMSLCSPRMNTNLMLDSKFFFTEKNSNKLTHRIKSNRTRKDSQLSSSSSNRTMECTVNSLISPTHTTSTGATSVMSLRSPSPLPSLQTPVTISGFNHISNDKYMSECSNNNNNNNNNNTDNHNDINDTLEKVIYPLNNHLSEEFTADNISISSTIATTDSSNECLSWQVYEKFKRRKQGCTYCRSIIRDVDGLIVKVGDCVQFGSGRNEIYLGEVKEIRWEQKRNSIIVVAAWYYQPLEAGKDGQLVQDIKGALFTTEHKDENEAKCIKRRIKIAKSYGQFIQGYYEKLKGKDPLESNQTQSDKNMGELTPNKDTEQINLEIRESLTSSSLASTSHSIKYPSVNENDTNQPPKLQITPNNNDNNNEISSDDNEEDDDVDDDNNSNFYHYFIAGKYDPVRQQVLTWDTELAKILNLKTHKNR
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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
1M34.3Very low30.5Very low239 Ų239163.5 Ų163.5100%1.17784%0.842SS**  0132.60-67.9176.6178.400108
2E29.9Very low30.3Very low181 Ų181164.5 Ų164.585%0.84684%0.835SS**  trans-76.5120.5166.7-68.9-177.2128.100108.8
3V34.4Very low30.1Very low138 Ų138160 Ų16084%0.83684%0.838SS**  trans-109.1107.4160.2179.40000106.5
4Q31.2Very low30.2Very low162 Ų162158.6 Ų158.676%0.75783%0.832SS**  trans-66.2144.2-174.1-68173-18.100111.6I6Q4-I6 PolarHBondContact O-N 2.72Å; Q4-I6 VanDerWaalsContact O-N 3.11Å
5C29.5Very low30Very low125 Ų125152.3 Ų152.385%0.84582%0.82SS**  trans-62.9111.4171.7-630000110.9S7C5-S7 VanDerWaalsContact C-N 3.27Å; C5-S7 PolarHBondContact O-N 3.32Å
6I30.9Very low29.6Very low176 Ų176157.4 Ų157.490%0.90383%0.825SS**  trans-69.792.1161.9-62178.6000107.7Q4Q4-I6 PolarHBondContact O-N 2.72Å; Q4-I6 VanDerWaalsContact O-N 3.11Å
7S27.7Very low29.5Very low77 Ų77155.1 Ų155.154%0.53882%0.824SS.*  trans-83.4153.9171.274.40000111.1C5C5-S7 VanDerWaalsContact C-N 3.27Å; C5-S7 PolarHBondContact O-N 3.32Å
8K28.4Very low29.3Very low178 Ų178152.6 Ų152.677%0.77482%0.816SS**  trans71.689.2165-52.3162.2-173.5170.70116.2
9N31.6Very low29.1Very low162 Ų162154.4 Ų154.487%0.86682%0.816SS**  trans-111.9105.3135.3-103.2-25.8000109.5L11N9-L11 VanDerWaalsContact C-N 3.35Å; N9-L11 PolarHBondContact O-N 3.37Å
10K27.1Very low29.1Very low192 Ų192152.8 Ų152.884%0.83582%0.815SS**  trans-73.586.1171.1-73.3179.2172.6-178.20108.7K12K10-K12 PolarHBondContact O-N 2.58Å
11L30.2Very low29Very low168 Ų168151.4 Ų151.488%0.8882%0.816SS**  trans-74.8118.1164.1-81.9168.7000108.7N9 A13N9-L11 VanDerWaalsContact C-N 3.35Å; N9-L11 PolarHBondContact O-N 3.37Å; L11-A13 PolarHBondContact O-N 2.63Å
12K28.2Very low28.6Very low176 Ų176149 Ų14977%0.76580%0.801SS**  trans-66.7129.5-177-65.2173.9178.21770109.2K10 N14K10-K12 PolarHBondContact O-N 2.58Å; K12-N14 VanDerWaalsContact C-N 3.25Å; K12-N14 PolarHBondContact O-N 3.17Å
13A27.3Very low28.4Very low106 Ų106150.1 Ų150.188%0.87680%0.8SS**  trans-69.287.2163.800000108.7L11 G15L11-A13 PolarHBondContact O-N 2.63Å; A13-G15 PolarHBondContact O-N 3.42Å
14N31.8Very low28.1Very low140 Ų140147 Ų14775%0.74978%0.782SS**  trans-75.8117.8167.6-73.3-4000107.7K12 W16K12-N14 VanDerWaalsContact C-N 3.25Å; K12-N14 PolarHBondContact O-N 3.17Å; N14-W16 PolarHBondContact O-N 2.92Å
15G26.8Very low27.8Very low64 Ų64147.3 Ų147.366%0.6678%0.777SS**  trans-65.6124.5-179.500000112.4A13A13-G15 PolarHBondContact O-N 3.42Å
16W24.9Very low27.8Very low235 Ų235149.5 Ų149.589%0.8978%0.78SS**  27.4100.6128.5-6655.5000115.8N14 T18N14-W16 PolarHBondContact O-N 2.92Å; W16-T18 HydrophobicContact CE3-CG2 4.33Å
17S26.9Very low27.6Very low117 Ų117147.7 Ų147.782%0.81877%0.772SS**  trans-11471.6159.967.10000110.3K19S17-K19 PolarHBondContact O-N 3.11Å; S17-K19 VanDerWaalsContact O-N 3.13Å
18T25.9Very low27.6Very low111 Ų111148.6 Ų148.668%0.68178%0.778SS**  trans-72.296.7168.746.80000109.5W16W16-T18 HydrophobicContact CE3-CG2 4.33Å
19K26.4Very low27.5Very low186 Ų186147.6 Ų147.681%0.80978%0.781SS**  trans-106.5107.4162.9-80.5-163.4173.8-171.10109.4S17S17-K19 PolarHBondContact O-N 3.11Å; S17-K19 VanDerWaalsContact O-N 3.13Å
20P28.6Very low27.2Very low123 Ų123145.7 Ų145.780%0.79978%0.781SS**  trans-74.6122.2168.430.1-30.7000109
21C26.3Very low27Very low124 Ų124143.6 Ų143.684%0.83878%0.777SS**  trans-94.5104.9173.7-65.60000109.1
22H26.1Very low26.6Very low187 Ų187141.7 Ų141.787%0.86677%0.768SS**  trans-84.9139.2167.1-114.2-78.5000110.4
23Y27.1Very low26.6Very low206 Ų206144 Ų14481%0.80877%0.774SS**  trans-61.1158.6169.4-98.4-104.9000111.9
24P27.5Very low26.5Very low71 Ų71146 Ų14646%0.46176%0.764SS.*  -127.7159.4116.936.7-31.1000113.8T1395P24-T1395 WeakPolarHBondContact CB-OG1 3.43Å
25Y25.7Very low26.2Very low170 Ų170145.6 Ų145.667%0.66777%0.771SS**  trans-64.5148.2-178.4-94.9-116.2000114D27Y25-D27 VanDerWaalsContact CD1-OD2 3.31Å; Y25-D27 WeakPolarHBondContact CD1-OD2 3.35Å
26L29.4Very low26Very low170 Ų170149.5 Ų149.589%0.8978%0.777SS**  trans-124.695.9159.4-97.8161.1000107.7
27D25.7Very low25.9Very low138 Ų138146.1 Ų146.174%0.73878%0.775SS**  trans-107.1118.4165.6-84-40.2000108.6Y25Y25-D27 VanDerWaalsContact CD1-OD2 3.31Å; Y25-D27 WeakPolarHBondContact CD1-OD2 3.35Å
28S28.1Very low25.9Very low97 Ų97149 Ų14968%0.67877%0.773SS**  trans-163.9118.5159.961.30000109.9
29D25.7Very low25.8Very low156 Ų156151.5 Ų151.583%0.83478%0.777SS**  trans28.7127.3149.2-49.5-34000118.3
30S25Very low25.7Very low122 Ų122151 Ų15185%0.85378%0.778SS**  -179.1167.474.839.70000112.8
31I22.5Very low25.5Very low149 Ų149151.2 Ų151.276%0.76478%0.777SS**  trans-98.4150.8-165.6-70.1159.9000111.9
32N22.7Very low25.5Very low128 Ų128150.8 Ų150.868%0.68478%0.775SS**  trans63.5123.9164.7-81.4-27.4000118.4
33Y28Very low25.4Very low225 Ų225150.7 Ų150.788%0.88278%0.775SS**  -151.9145.3102.3-106.6-74.4000112.2
34H24.6Very low25.2Very low146 Ų146152 Ų15268%0.67678%0.78SS**  trans-47.4143.1171.8-81-107.7000114.1
35C25.8Very low25.2Very low133 Ų133154.9 Ų154.990%0.89979%0.792SS**  trans-138.5133.7136.7-91.80000109.6
36N23.8Very low25.1Very low146 Ų146152.4 Ų152.478%0.78179%0.79SS**  trans-82.9154.1-168.2-81.7-36.6000113.9
37L22.7Very low24.9Very low163 Ų163149.3 Ų149.385%0.85377%0.773SS**  trans-46.5139.1156.4-96.969000112.8
38K26.6Very low24.8Very low179 Ų179149.9 Ų149.978%0.77878%0.776SS**  trans-143.7122.7131-73.3-157.1175.1-175.10106.7
39Q23.8Very low24.6Very low162 Ų162150.4 Ų150.476%0.75778%0.775SS**  54.6122.794.5-61.2172.1-45.800110.7
40E24.8Very low24.6Very low177 Ų177151.3 Ų151.383%0.82778%0.78SS**  cis-145.6135.630.6-65.2167151.500109
41T24.3Very low24.7Very low127 Ų127149.3 Ų149.378%0.77978%0.779SS**  50.29474.159.90000117.2
42S25.1Very low24.7Very low115 Ų115149.9 Ų149.980%0.80478%0.782SS**  -178.9102.7128.836.10000114.2
43Q24.5Very low24.8Very low185 Ų185151.4 Ų151.486%0.86479%0.785SS**  31.9112.8129-68.8180-24.200120.7
44Y23.5Very low24.8Very low232 Ų232149.5 Ų149.591%0.9178%0.784SS**  trans-127.1126.8130.2-98.6-90.3000108.7
45N27.4Very low24.7Very low132 Ų132149.2 Ų149.271%0.70679%0.787SS**  trans-146.5113.3175.3-121.3-2.7000109.5
46L23.6Very low24.6Very low119 Ų119146.9 Ų146.962%0.62377%0.773SS**  trans-150.5113155.7-92.4111000105.8S1663L46-S1663 WeakPolarHBondContact CD1-OG 3.46Å
47L25.5Very low24.8Very low104 Ų104147.2 Ų147.255%0.54578%0.775SS.*  73.29979.1-81.7169000114.1Y1666L47-Y1666 HydrophobicContact CD1-CE2 4.17Å; L47-Y1666 WeakPolarHBondContact CD2-OH 3.08Å; L47-Y1666 WeakPolarHBondContact CG-OH 3.31Å
48N22.5Very low24.8Very low151 Ų151146.3 Ų146.381%0.80777%0.77SS**  trans-144.3110.4135.5-96.6-17.8000105.4
49T23.5Very low24.7Very low107 Ų107143.4 Ų143.466%0.65676%0.762SS**  60.784.482.961.60000113.7
50N25.9Very low24.7Very low175 Ų175141.9 Ų141.994%0.93677%0.77SS**  trans-146.3140.8156.4-93.1-26.3000107.1
51G27Very low24.7Very low81 Ų81138.3 Ų138.384%0.83576%0.76SS**  trans111.176.5175.900000114.7
52I23.2Very low24.5Very low161 Ų161140.6 Ų140.683%0.82676%0.764SS**  trans-100.9126.2159.9-92.7175.1000107.8
53H24.3Very low24.5Very low160 Ų160142.6 Ų142.674%0.74177%0.765SS**  trans44.487.5158.7-72-94.9000118.5
54Q27.5Very low24.5Very low184 Ų184139.4 Ų139.486%0.8676%0.758SS**  -73.9133125.6-85.9-79.3-500107.5
55N22.9Very low24.5Very low140 Ų140135 Ų13575%0.74975%0.75SS**  trans-133.194.6178.2178.636.1000109.2
56S23.5Very low24.6Very low84 Ų84137.4 Ų137.459%0.58776%0.757SS**  trans-166.2135159.159.50000111.1
57N28.2Very low24.5Very low154 Ų154137 Ų13782%0.82476%0.764SS**  trans77.261.2154.3-51.8-11.2000116.3
58D23.9Very low24.5Very low143 Ų143142.6 Ų142.677%0.76578%0.78SS**  trans-35.6138.8134.6-88.2-44000113.8
59I23.6Very low24.5Very low118 Ų118142.5 Ų142.561%0.60578%0.778SS**  trans67.565.9132.4-60166.1000115.8T61I59-T61 VanDerWaalsContact CG2-OG1 3.31Å; I59-T61 WeakPolarHBondContact CG2-OG1 3.13Å; I59-T61 PolarHBondContact O-N 2.65Å; I59-T61 VanDerWaalsContact O-N 3.14Å
60S23.1Very low24.5Very low131 Ų131146.1 Ų146.192%0.91678%0.784SS**  trans-75.957136.2179.10000110.2
61T25.7Very low24.3Very low102 Ų102142.3 Ų142.363%0.62677%0.771SS**  trans-134.972.8173.559.90000110.8I59I59-T61 VanDerWaalsContact CG2-OG1 3.31Å; I59-T61 WeakPolarHBondContact CG2-OG1 3.13Å; I59-T61 PolarHBondContact O-N 2.65Å; I59-T61 VanDerWaalsContact O-N 3.14Å
62M21.1Very low24.1Very low175 Ų175146.5 Ų146.586%0.86278%0.775SS**  trans-125.289.7153.5-105.9-70.3165.200108.4
63L24Very low24.1Very low156 Ų156146.6 Ų146.682%0.81778%0.776SS**  trans151.189.3132.3-77.8168.9000111.1
64T25.2Very low24.1Very low119 Ų119144 Ų14473%0.7378%0.775SS**  trans-46.5132.215517.30000112.5
65N23.4Very low24Very low138 Ų138141.4 Ų141.474%0.73878%0.775SS**  trans49.995.5137.9-58.7-18.6000118.6
66H29.2Very low24Very low184 Ų184141.7 Ų141.785%0.85278%0.775SS**  trans-122.3101.3133.6-96.6-72.4000110.5Y68H66-Y68 PolarHBondContact O-N 3.11Å
67S22.2Very low24Very low111 Ų111143.9 Ų143.978%0.77678%0.78SS**  trans-77.4111168.854.70000109.9
68Y24.2Very low23.7Very low220 Ų220145 Ų14586%0.86379%0.786SS**  trans-126.9152.6157.1-96.6-81.1000111.1H66H66-Y68 PolarHBondContact O-N 3.11Å
69I24Very low23.7Very low150 Ų150142.5 Ų142.577%0.76978%0.779SS**  trans-96.1135.9-151.8-76.9165.6000112.2
70K22.1Very low23.7Very low183 Ų183143.4 Ų143.480%0.79680%0.795SS**  trans29.5134.9150.6-64.3180171.9-179.70120.8
71S22.1Very low23.8Very low94 Ų94145.3 Ų145.366%0.65779%0.793SS**  trans64.5110.3135.464.70000119.3
72N23.7Very low23.9Very low170 Ų170145.2 Ų145.291%0.90980%0.797SS**  -139.3133.6110.5-89.8-41.5000109.9
73L22.4Very low24.1Very low162 Ų162144 Ų14485%0.84879%0.793SS**  trans-91.2131.2170.7-77.7116000109.3
74S24.5Very low24.1Very low105 Ų105145.4 Ų145.473%0.73480%0.796SS**  162.4146.8123.646.10000110.5
75P24.5Very low24.1Very low130 Ų130148 Ų14884%0.84480%0.804SS**  trans-84.4147.6-171.934.2-34.6000111.8
76I22.5Very low24.2Very low147 Ų147146.2 Ų146.275%0.75480%0.802SS**  trans-127.6112.5175.8-66.2-179.1000110.2
77N25.1Very low24.4Very low130 Ų130142.7 Ų142.770%0.69580%0.795SS**  trans51.1108.3147.9-56.5-2.7000120.9S79N77-S79 PolarHBondContact O-N 3.31Å
78D21.8Very low24.6Very low176 Ų176144.5 Ų144.594%0.94180%0.802SS**  trans-64.9108.6137.4-62.2-57.7000109.8
79S23.4Very low24.5Very low91 Ų91142.3 Ų142.364%0.63680%0.8SS**  trans-162.991.2164.362.80000113N77N77-S79 PolarHBondContact O-N 3.31Å
80C23.7Very low24.8Very low138 Ų138142.9 Ų142.993%0.93280%0.804SS**  trans-138.277.6165.3-80.30000110.3
81I24.7Very low24.9Very low171 Ų171138.6 Ų138.688%0.87780%0.797SS**  trans-107.9140.4157.6-68.1178.5000107.4
82S27.9Very low25.2Very low100 Ų100141.8 Ų141.870%0.69981%0.807SS**  trans-73.4132.6-168.550.60000115.2
83N25.5Very low25.3Very low148 Ų148142.3 Ų142.379%0.79180%0.803SS**  trans47.696.9139.9-60.2-0.7000119.6
84E23.4Very low25.4Very low187 Ų187139 Ų13987%0.87479%0.794SS**  15.5108.4120.2-57.1-174.9155.200118.5
85I26.4Very low25.4Very low173 Ų173140.7 Ų140.789%0.88780%0.795SS**  -135.5134.3122.9-60-172.8000107.7
86S24.5Very low25.3Very low100 Ų100141.4 Ų141.470%0.69979%0.792SS**  trans-123.2-171.5-176.160.10000110.1
87P33.9Very low25.7Very low111 Ų111141.9 Ų141.972%0.72180%0.796SS**  -128.7153.5-58.833.1-18.5000112.1
88T27.2Very low25.7Very low148 Ų148143.9 Ų143.991%0.90880%0.798SS**  trans-138.9134.3155.341.80000112.1
89Q22.3Very low25.8Very low175 Ų175141.6 Ų141.682%0.81879%0.786SS**  trans-74.4146.3175.8-62169-20.500110.4
90N29.4Very low26.2Very low161 Ų161143.5 Ų143.586%0.86179%0.789SS**  -164.3131.1118.9-100.7-31.6000111.6
91S23.1Very low26.5Very low93 Ų93143.2 Ų143.265%0.6578%0.778SS**  trans-70149.6164.654.70000110.6
92N29Very low26.8Very low162 Ų162141.5 Ų141.587%0.86677%0.771SS**  -167.2161.1116.6-93.7-27.9000113.1
93H25Very low26.9Very low180 Ų180143.4 Ų143.483%0.83377%0.773SS**  trans-93.3151.9-161.7-99.7-65000114.9
94S24.7Very low27.5Very low93 Ų93144.5 Ų144.565%0.6578%0.779SS**  trans87.2150.8132.174.80000122.4
95N24.7Very low27.8Very low140 Ų140144.2 Ų144.275%0.74978%0.778SS**  trans82.792.6151.1-64.7-17.3000119.7
96N23.8Very low28.2Very low146 Ų146143.4 Ų143.478%0.78178%0.775SS**  16.4116.1111.7-68.5-10.6000116.4
97N29.8Very low28.7Very low157 Ų157146 Ų14684%0.8478%0.781SS**  trans-160.4110.1134.1-101.4-26.7000112.7
98K25Very low28.7Very low172 Ų172148.2 Ų148.275%0.74879%0.787SS**  22.3130.8128.4-80.1-170.9172.3-176.90120.9
99N25.1Very low29Very low128 Ų128144.8 Ų144.868%0.68478%0.781SS**  trans69.4120.6137-49.96.2000119.1
100N31.4Very low29.7Very low130 Ų130143.2 Ų143.270%0.69578%0.778SS**  169.5117.9105.3-83.2-3.8000109.3
101D28.8Very low30Very low133 Ų133143.7 Ų143.771%0.71178%0.781SS**  55.9151.5119.1-43.6-25.5000122.9
102D32Very low30.7Very low135 Ų135145.3 Ų145.372%0.72279%0.786SS**  trans8592.3159.3-53.3-18000120.1
103D30.7Very low30.9Very low139 Ų139144.9 Ų144.974%0.74378%0.784SS**  56.3103120-55.2-9.6000120.3
104N38.1Very low31.3Very low172 Ų172145 Ų14592%0.9279%0.785SS**  trans-143.793.4137.2-73.3-87.7000108.5
105E29Very low32Very low180 Ų180151 Ų15184%0.84180%0.795SS**  trans-79.3138.1154.8-65.5-177.714900107.8
106D35.6Very low32.4Very low156 Ų156152.6 Ų152.683%0.83480%0.803SS**  trans176.4127.1134.9-90.7-20.5000112
107D34.1Very low33.1Very low156 Ų156149.2 Ų149.283%0.83479%0.788SS**  trans55103.4162.3-72.1-24.3000121.9
108D33Very low34.1Very low156 Ų156144.7 Ų144.783%0.83477%0.769SS**  trans-63133.4154.3-62.2-68.4000111.9
109G34.4Very low35.1Very low76 Ų76142.7 Ų142.778%0.78477%0.765SS**  trans-121.391.8169.700000110.6D111G109-D111 PolarHBondContact O-N 2.89Å
110D37.5Very low36.4Very low143 Ų143141.4 Ų141.477%0.76576%0.756SS**  trans-61.4125.8-170.4-73.6-53.1000114.9V112D110-V112 HydrophobicContact CB-CG2 4.14Å; D110-V112 PolarHBondContact O-N 1.96Å
111D36.2Very low37.8Very low170 Ų170139.3 Ų139.391%0.90975%0.745SS**  trans-69.9107.7164.1-91.9-44.3000110.7G109G109-D111 PolarHBondContact O-N 2.89Å
112V36.4Very low39.2Very low127 Ų127139.2 Ų139.277%0.7774%0.739SS**  trans-133.361.2172.7-163.40000111.8D110D110-V112 HydrophobicContact CB-CG2 4.14Å; D110-V112 PolarHBondContact O-N 1.96Å
113D33.5Very low40.2Very low154 Ų154133.9 Ų133.982%0.82471%0.709SS**  trans-136.172.3170.4-105.7-31000111.3
114Q34Very low41.6Very low181 Ų181130.2 Ų130.285%0.84669%0.687SS**  trans-162.3156.9161.8-107.1143.9101.500110.5
115Y39.2Very low42.7Very low221 Ų221125.5 Ų125.587%0.86767%0.667SS**  trans74.465.4-171.6-56.2-78.4000117.2P117Y115-P117 WeakPolarHBondContact O-CD 2.81Å
116L34Very low44.2Very low173 Ų173119.4 Ų119.491%0.90664%0.64SS**  trans-96.9108.5151.4-138.191.5000109.5
117P38.5Very low45.4Very low74 Ų74112.3 Ų112.348%0.48160%0.602SS.*  trans-65.4140.2179.2-21.533000111.7Y115Y115-P117 WeakPolarHBondContact O-CD 2.81Å
118S49Very low46.8Very low62 Ų62109.5 Ų109.543%0.43459%0.59SS.*  trans-55.2141.2179.6-179.50000111.5M120 D121 K122S118-M120 PolarHBondContact O-N 3.42Å; S118-M120 PolarHBondContact OG-N 3Å; S118-D121 WeakPolarHBondContact CB-OD2 3.43Å; S118-D121 PolarHBondContact O-N 3.1Å; S118-K122 PolarHBondContact O-N 2.65Å
119I47.7Very low47.9Very low130 Ų130106.7 Ų106.767%0.66758%0.583SS**Hα-helixtrans-50.9-32.2172.2-76.6169.8000111.2D121 Q123I119-D121 PolarHBondContact O-N 3.47Å; I119-Q123 WeakPolarHBondContact O-CG 3.36Å; I119-Q123 PolarHBondContact O-N 3.04Å
120M52.5Low48.9Very low101 Ų101104.5 Ų104.550%0.49855%0.553SS.*Hα-helixtrans-65.4-37.2-178.8-149.1163.567.200112.5S118 Q123 K124S118-M120 PolarHBondContact O-N 3.42Å; S118-M120 PolarHBondContact OG-N 3Å; M120-Q123 PolarHBondContact O-N 3.25Å; M120-K124 WeakPolarHBondContact O-CG 3.47Å; M120-K124 PolarHBondContact O-N 3.48Å
121D60.5Low49.8Very low87 Ų87101.2 Ų101.247%0.46555%0.553SS.*Hα-helixtrans-74.9-38.7-179.5-57.3-42.4000111.5S118 I119 Q123 K124 S125S118-D121 WeakPolarHBondContact CB-OD2 3.43Å; S118-D121 PolarHBondContact O-N 3.1Å; I119-D121 PolarHBondContact O-N 3.47Å; D121-Q123 VanDerWaalsContact C-N 3.28Å; D121-Q123 PolarHBondContact O-N 3.24Å; D121-K124 PolarHBondContact O-N 3.4Å; D121-S125 PolarHBondContact O-N 3.41Å
122K57.9Low50.9Low131 Ų13193.8 Ų93.857%0.5751%0.514SS*.Hα-helixtrans-62.4-36.1172.2-66.2-172.9179.4-177.30111.7S118 L126S118-K122 PolarHBondContact O-N 2.65Å; K122-L126 PolarHBondContact O-N 3.37Å
123Q53.4Low52Low23 Ų2394.5 Ų94.511%0.10751%0.508CS..Hα-helixtrans-69-45171.7-73.1-178.5-200112.1I119 M120 D121 S125 L126 F127 C143I119-Q123 WeakPolarHBondContact O-CG 3.36Å; I119-Q123 PolarHBondContact O-N 3.04Å; M120-Q123 PolarHBondContact O-N 3.25Å; D121-Q123 VanDerWaalsContact C-N 3.28Å; D121-Q123 PolarHBondContact O-N 3.24Å; Q123-S125 VanDerWaalsContact C-N 3.29Å; Q123-S125 PolarHBondContact O-N 3.38Å; Q123-L126 WeakPolarHBondContact O-CB 2.76Å; Q123-L126 PolarHBondContact O-N 3.04Å; Q123-F127 WeakPolarHBondContact O-CD2 3.44Å; Q123-F127 PolarHBondContact O-N 3.23Å; Q123-C143 PolarHBondContact OE1-SG 3.32Å
124K60.4Low53Low61 Ų6190 Ų9027%0.26549%0.486SS..Hα-helixtrans-53.9-46.2175.6-78.1-177.2178-159.40111.6M120 D121 L126 F127 V128 D136 I139M120-K124 WeakPolarHBondContact O-CG 3.47Å; M120-K124 PolarHBondContact O-N 3.48Å; D121-K124 PolarHBondContact O-N 3.4Å; K124-L126 PolarHBondContact O-N 2.76Å; K124-F127 PolarHBondContact O-N 3.34Å; K124-V128 WeakPolarHBondContact O-CG2 3.21Å; K124-V128 PolarHBondContact O-N 3.48Å; K124-D136 WeakPolarHBondContact CE-OD1 3.45Å; K124-D136 IonicContact NZ-OD1 2.8Å; K124-D136 PolarHBondContact NZ-OD1 2.87Å; K124-D136 IonicContact NZ-OD2 3.73Å; K124-I139 HydrophobicContact CD-CD1 4.31Å; K124-I139 HydrophobicContact CG-CD1 3.48Å; K124-I139 VanDerWaalsContact CG-CD1 3.48Å
125S59.5Low54.3Low74 Ų7484.3 Ų84.352%0.51746%0.462SS..Hα-helixtrans-53.4-49.9172.9177.30000112.4D121 Q123 F127 V128 S129D121-S125 PolarHBondContact O-N 3.41Å; Q123-S125 VanDerWaalsContact C-N 3.29Å; Q123-S125 PolarHBondContact O-N 3.38Å; S125-F127 PolarHBondContact O-N 3.25Å; S125-V128 PolarHBondContact O-N 2.84Å; S125-S129 PolarHBondContact O-N 3.18Å; S125-S129 PolarHBondContact O-OG 3.36Å; S125-S129 VanDerWaalsContact O-OG 3.11Å
126L60.2Low55.5Low51 Ų5178.4 Ų78.427%0.26745%0.445SS..Hα-helixtrans-61.1-39.4179.1-170.973.1000113.1K122 Q123 K124 S129 I130 L181 I185K122-L126 PolarHBondContact O-N 3.37Å; Q123-L126 WeakPolarHBondContact O-CB 2.76Å; Q123-L126 PolarHBondContact O-N 3.04Å; K124-L126 PolarHBondContact O-N 2.76Å; L126-S129 PolarHBondContact O-N 2.95Å; L126-I130 HydrophobicContact CG-CD1 4.17Å; L126-I130 WeakPolarHBondContact O-CD1 3.5Å; L126-I130 VanDerWaalsContact O-CG1 3.28Å; L126-I130 WeakPolarHBondContact O-CG1 3.22Å; L126-I130 PolarHBondContact O-N 3.46Å; L126-L181 HydrophobicContact CD2-CD2 4.04Å; L126-I185 HydrophobicContact CD2-CD1 4.13Å
127F61.5Low56.9Low8 Ų877 Ų774%0.03543%0.434CS..Hα-helixtrans-66.4-41.4176.6-78.6-79.1000112.1Q123 K124 S125 I130 G131 V132 T134 L138 I139 C142 I185Q123-F127 WeakPolarHBondContact O-CD2 3.44Å; Q123-F127 PolarHBondContact O-N 3.23Å; K124-F127 PolarHBondContact O-N 3.34Å; S125-F127 PolarHBondContact O-N 3.25Å; F127-I130 PolarHBondContact O-N 3.2Å; F127-G131 PolarHBondContact O-N 3.14Å; F127-V132 HydrophobicContact CD1-CB 4.34Å; F127-V132 HydrophobicContact CD1-CG1 4.31Å; F127-V132 PolarHBondContact O-N 3.08Å; F127-V132 VanDerWaalsContact O-N 3.12Å; F127-T134 HydrophobicContact CB-CG2 3.93Å; F127-L138 HydrophobicContact CD1-CD2 3.79Å; F127-L138 HydrophobicContact CE1-CD2 3.66Å; F127-L138 HydrophobicContact CE1-CG 4.25Å; F127-I139 HydrophobicContact CD2-CD1 4.45Å; F127-I139 HydrophobicContact CD2-CG1 3.91Å; F127-I139 HydrophobicContact CE2-CB 4.4Å; F127-I139 HydrophobicContact CE2-CG1 3.87Å; F127-I139 HydrophobicContact CE2-CG2 4.42Å; F127-C142 HydrophobicContact CZ-CB 3.88Å; F127-I185 HydrophobicContact CD1-CG2 3.91Å; F127-I185 HydrophobicContact CE1-CG1 4.32Å; F127-I185 HydrophobicContact CE1-CG2 3.6Å
128V63.2Low58.1Low96 Ų9673.6 Ų73.658%0.58241%0.412SS*.Hα-helixtrans-59.9-46.4174.5173.20000110.7K124 S125 I130 G131 T134K124-V128 WeakPolarHBondContact O-CG2 3.21Å; K124-V128 PolarHBondContact O-N 3.48Å; S125-V128 PolarHBondContact O-N 2.84Å; V128-I130 PolarHBondContact O-N 2.97Å; V128-I130 VanDerWaalsContact O-N 3.13Å; V128-G131 PolarHBondContact O-N 3.34Å; V128-T134 HydrophobicContact CG2-CG2 3.79Å
129S56.9Low58.8Low97 Ų9771 Ų7168%0.67839%0.393SS*.Hα-helixtrans-61.7-20.8178.4-55.20000114.8S125 L126S125-S129 PolarHBondContact O-N 3.18Å; S125-S129 PolarHBondContact O-OG 3.36Å; S125-S129 VanDerWaalsContact O-OG 3.11Å; L126-S129 PolarHBondContact O-N 2.95Å
130I55.5Low59.5Low31 Ų3167.8 Ų67.816%0.15938%0.382CS..THydrogen-bonded Turntrans-92.2-2.7178.1-58.5163.9000111.2L126 F127 V128 V132 I182 I185L126-I130 HydrophobicContact CG-CD1 4.17Å; L126-I130 WeakPolarHBondContact O-CD1 3.5Å; L126-I130 VanDerWaalsContact O-CG1 3.28Å; L126-I130 WeakPolarHBondContact O-CG1 3.22Å; L126-I130 PolarHBondContact O-N 3.46Å; F127-I130 PolarHBondContact O-N 3.2Å; V128-I130 PolarHBondContact O-N 2.97Å; V128-I130 VanDerWaalsContact O-N 3.13Å; I130-V132 VanDerWaalsContact C-N 3.31Å; I130-V132 HydrophobicContact CB-CG2 4.13Å; I130-V132 HydrophobicContact CG2-CG2 3.82Å; I130-I182 HydrophobicContact CD1-CB 4.5Å; I130-I182 HydrophobicContact CD1-CG1 3.89Å; I130-I182 HydrophobicContact CG1-CG1 4.07Å; I130-I182 HydrophobicContact CG2-CG2 3.93Å; I130-I185 HydrophobicContact CD1-CD1 3.61Å; I130-I185 HydrophobicContact CD1-CG2 4.35Å
131G56.3Low59.8Low74 Ų7466.6 Ų66.676%0.76337%0.374SS*.THydrogen-bonded Turntrans71.326.5-174.700000112.8F127 V128F127-G131 PolarHBondContact O-N 3.14Å; V128-G131 PolarHBondContact O-N 3.34Å
132V59.6Low59.5Low14 Ų1462.9 Ų62.99%0.08536%0.355CS..  trans-101.5114.4179.1-174.90000108.9F127 I130 T134 L138 I185 Y189F127-V132 HydrophobicContact CD1-CB 4.34Å; F127-V132 HydrophobicContact CD1-CG1 4.31Å; F127-V132 PolarHBondContact O-N 3.08Å; F127-V132 VanDerWaalsContact O-N 3.12Å; I130-V132 VanDerWaalsContact C-N 3.31Å; I130-V132 HydrophobicContact CB-CG2 4.13Å; I130-V132 HydrophobicContact CG2-CG2 3.82Å; V132-T134 PolarHBondContact O-N 3.36Å; V132-L138 HydrophobicContact CG1-CD2 3.44Å; V132-L138 VanDerWaalsContact CG1-CD2 3.44Å; V132-I185 HydrophobicContact CG2-CG2 4.34Å; V132-Y189 HydrophobicContact CG1-CD2 3.44Å; V132-Y189 VanDerWaalsContact CG1-CD2 3.44Å; V132-Y189 HydrophobicContact CG1-CE2 3.77Å; V132-Y189 HydrophobicContact CG1-CG 4.08Å
133Q57.9Low59.3Low141 Ų14159.5 Ų59.566%0.65935%0.347SS*.  trans-54.1125.9178.2-161.1172.615.500110.6D135Q133-D135 PolarHBondContact O-N 3.42Å
134T55.8Low59.2Low59 Ų5964.5 Ų64.536%0.36238%0.375SS..  trans-80.774.4-168.952.20000112.4F127 V128 V132 D136F127-T134 HydrophobicContact CB-CG2 3.93Å; V128-T134 HydrophobicContact CG2-CG2 3.79Å; V132-T134 PolarHBondContact O-N 3.36Å; T134-D136 PolarHBondContact O-N 3.22Å
135D60.1Low58.6Low63 Ų6364.8 Ų64.834%0.33738%0.376SS..  trans-68.8122.6160.5-70.9-31.8000108.5Q133 Q137 L138 I139 M192Q133-D135 PolarHBondContact O-N 3.42Å; D135-Q137 PolarHBondContact O-N 2.81Å; D135-Q137 VanDerWaalsContact O-N 3.11Å; D135-L138 HydrophobicContact CB-CB 4.12Å; D135-L138 WeakPolarHBondContact O-CA 3.42Å; D135-L138 VanDerWaalsContact O-CB 3.23Å; D135-L138 WeakPolarHBondContact O-CB 3.43Å; D135-L138 PolarHBondContact O-N 3.13Å; D135-I139 PolarHBondContact O-N 3.26Å; D135-M192 WeakPolarHBondContact OD2-CE 3.44Å
136D65Low57.7Low96 Ų9670.3 Ų70.351%0.51339%0.394SS..Hα-helixtrans-58.5-27.5176-75.6-44000112K124 T134 L138 I139 S140K124-D136 WeakPolarHBondContact CE-OD1 3.45Å; K124-D136 IonicContact NZ-OD1 2.8Å; K124-D136 PolarHBondContact NZ-OD1 2.87Å; K124-D136 IonicContact NZ-OD2 3.73Å; T134-D136 PolarHBondContact O-N 3.22Å; D136-L138 VanDerWaalsContact C-N 3.31Å; D136-L138 PolarHBondContact O-N 3.22Å; D136-I139 PolarHBondContact O-N 3.14Å; D136-S140 WeakPolarHBondContact O-CB 3.47Å; D136-S140 PolarHBondContact O-N 2.91Å
137Q64.1Low56.8Low145 Ų14571.9 Ų71.968%0.67840%0.401SS*.Hα-helixtrans-63.5-32.7171-63.4-169.116.500113.4D135 K141D135-Q137 PolarHBondContact O-N 2.81Å; D135-Q137 VanDerWaalsContact O-N 3.11Å; Q137-K141 WeakPolarHBondContact O-CB 3.41Å; Q137-K141 PolarHBondContact O-N 3.02Å
138L64.2Low55.6Low1 Ų173.4 Ų73.41%0.00541%0.409CS..Hα-helixtrans-69-44.6176.4-17382.2000110.2F127 V132 D135 D136 S140 K141 C142 Y189 M192F127-L138 HydrophobicContact CD1-CD2 3.79Å; F127-L138 HydrophobicContact CE1-CD2 3.66Å; F127-L138 HydrophobicContact CE1-CG 4.25Å; V132-L138 HydrophobicContact CG1-CD2 3.44Å; V132-L138 VanDerWaalsContact CG1-CD2 3.44Å; D135-L138 HydrophobicContact CB-CB 4.12Å; D135-L138 WeakPolarHBondContact O-CA 3.42Å; D135-L138 VanDerWaalsContact O-CB 3.23Å; D135-L138 WeakPolarHBondContact O-CB 3.43Å; D135-L138 PolarHBondContact O-N 3.13Å; D136-L138 VanDerWaalsContact C-N 3.31Å; D136-L138 PolarHBondContact O-N 3.22Å; L138-S140 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 3.27Å; L138-K141 PolarHBondContact O-N 2.9Å; L138-C142 WeakPolarHBondContact O-CB 3.47Å; L138-C142 PolarHBondContact O-N 3.04Å; L138-C142 PolarHBondContact O-SG 3.31Å; L138-Y189 HydrophobicContact CD1-CD2 3.95Å; L138-Y189 HydrophobicContact CD2-CD2 4.01Å; L138-M192 HydrophobicContact CB-SD 4.33Å; L138-M192 HydrophobicContact CD1-CE 3.88Å; L138-M192 HydrophobicContact CD1-SD 3.77Å
139I62.5Low54.5Low8 Ų871.8 Ų71.84%0.04140%0.403CS..Hα-helixtrans-59.8-48.4177.2-56.7176.8000109.5K124 F127 D135 D136 K141 C142 C143K124-I139 HydrophobicContact CD-CD1 4.31Å; K124-I139 HydrophobicContact CG-CD1 3.48Å; K124-I139 VanDerWaalsContact CG-CD1 3.48Å; F127-I139 HydrophobicContact CD2-CD1 4.45Å; F127-I139 HydrophobicContact CD2-CG1 3.91Å; F127-I139 HydrophobicContact CE2-CB 4.4Å; F127-I139 HydrophobicContact CE2-CG1 3.87Å; F127-I139 HydrophobicContact CE2-CG2 4.42Å; D135-I139 PolarHBondContact O-N 3.26Å; D136-I139 PolarHBondContact O-N 3.14Å; I139-K141 PolarHBondContact O-N 3.07Å; I139-C142 PolarHBondContact O-N 3.43Å; I139-C143 PolarHBondContact O-N 3.08Å; I139-C143 PolarHBondContact O-SG 2.87Å
140S62Low53.5Low63 Ų6373.4 Ų73.444%0.44140%0.404SS..Hα-helixtrans-59.2-46.1175-175.90000112.6D136 L138 C142 C143 N144D136-S140 WeakPolarHBondContact O-CB 3.47Å; D136-S140 PolarHBondContact O-N 2.91Å; L138-S140 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 3.27Å; S140-C142 VanDerWaalsContact C-N 3.32Å; S140-C142 PolarHBondContact O-N 3.29Å; S140-C143 PolarHBondContact O-N 2.89Å; S140-N144 VanDerWaalsContact O-CB 3.27Å; S140-N144 WeakPolarHBondContact O-CB 3.12Å; S140-N144 PolarHBondContact O-N 3.11Å; S140-N144 PolarHBondContact O-ND2 3.4Å; S140-N144 PolarHBondContact OG-ND2 2.92Å
141K59.1Low52.7Low75 Ų7578 Ų7833%0.32643%0.429SS..Hα-helixtrans-64.6-31.1175.1-88.7-175.8172.3178.90113.4Q137 L138 I139 K145 E195Q137-K141 WeakPolarHBondContact O-CB 3.41Å; Q137-K141 PolarHBondContact O-N 3.02Å; L138-K141 PolarHBondContact O-N 2.9Å; I139-K141 PolarHBondContact O-N 3.07Å; K141-K145 PolarHBondContact O-N 3.12Å; K141-E195 IonicContact NZ-OE2 2.75Å; K141-E195 PolarHBondContact NZ-OE2 3.35Å
142C53.9Low51.7Low9 Ų978.6 Ų78.66%0.06141%0.414CS..Hα-helixtrans-74.7-34.9175.9-72.90000112.4F127 L138 I139 S140F127-C142 HydrophobicContact CZ-CB 3.88Å; L138-C142 WeakPolarHBondContact O-CB 3.47Å; L138-C142 PolarHBondContact O-N 3.04Å; L138-C142 PolarHBondContact O-SG 3.31Å; I139-C142 PolarHBondContact O-N 3.43Å; S140-C142 VanDerWaalsContact C-N 3.32Å; S140-C142 PolarHBondContact O-N 3.29Å
143C55.3Low50.5Low60 Ų6080.6 Ų80.641%0.40542%0.424SS..Hα-helixtrans-74.5-38173.7-64.70000112.6Q123 I139 S140 K145Q123-C143 PolarHBondContact OE1-SG 3.32Å; I139-C143 PolarHBondContact O-N 3.08Å; I139-C143 PolarHBondContact O-SG 2.87Å; S140-C143 PolarHBondContact O-N 2.89Å; C143-K145 VanDerWaalsContact C-N 3.35Å; C143-K145 PolarHBondContact O-N 3.27Å
144N51.4Low49.6Very low129 Ų12977 Ų7769%0.6941%0.414SS*.Hα-helixtrans-79.3-12.7-176.9-70.7-32.6000114.3S140S140-N144 VanDerWaalsContact O-CB 3.27Å; S140-N144 WeakPolarHBondContact O-CB 3.12Å; S140-N144 PolarHBondContact O-N 3.11Å; S140-N144 PolarHBondContact O-ND2 3.4Å; S140-N144 PolarHBondContact OG-ND2 2.92Å
145K46.7Very low48.5Very low66 Ų6679 Ų7929%0.28742%0.423SS..SBendtrans-92.8128.9165.8-73.1176.31761710107.6K141 C143 I147 V188 E191K141-K145 PolarHBondContact O-N 3.12Å; C143-K145 VanDerWaalsContact C-N 3.35Å; C143-K145 PolarHBondContact O-N 3.27Å; K145-I147 HydrophobicContact CB-CD1 3.85Å; K145-I147 HydrophobicContact CB-CG1 4.03Å; K145-I147 HydrophobicContact CD-CD1 4.09Å; K145-I147 PolarHBondContact O-N 3.03Å; K145-V188 HydrophobicContact CD-CG2 4.46Å; K145-E191 IonicContact NZ-OE2 3.68Å; K145-E191 PolarHBondContact NZ-OE2 3.35Å
146E41.1Very low47.1Very low191 Ų19179.4 Ų79.489%0.89343%0.425SS*.THydrogen-bonded Turntrans-61.418.6179.9-56.5174.7136.500115.5L148E146-L148 PolarHBondContact O-N 3.45Å
147I40.1Very low45.5Very low84 Ų8478.9 Ų78.943%0.43143%0.428SS..THydrogen-bonded Turntrans-65.2-28.6176.1-62.2170.6000110.4K145 A184 V188K145-I147 HydrophobicContact CB-CD1 3.85Å; K145-I147 HydrophobicContact CB-CG1 4.03Å; K145-I147 HydrophobicContact CD-CD1 4.09Å; K145-I147 PolarHBondContact O-N 3.03Å; I147-A184 HydrophobicContact CG2-CB 3.88Å; I147-V188 HydrophobicContact CD1-CG2 3.68Å
148L36.8Very low43.8Very low39 Ų3981.5 Ų81.520%0.20443%0.433CS..  trans-98.281.3170-69.4168.1000109.9E146 N150 L153 L181E146-L148 PolarHBondContact O-N 3.45Å; L148-N150 PolarHBondContact O-N 3.32Å; L148-L153 HydrophobicContact CB-CD1 4.42Å; L148-L153 HydrophobicContact CD1-CD1 4.28Å; L148-L153 HydrophobicContact CD2-CD1 4.05Å; L148-L153 HydrophobicContact CD2-CG 4.27Å; L148-L153 HydrophobicContact CG-CD1 4.49Å; L148-L181 HydrophobicContact CD2-CD1 3.77Å
149S41.2Very low42.1Very low63 Ų6389.1 Ų89.144%0.44147%0.467SS..  trans-61.5119.6156.229.30000107.8D151 N152S149-D151 PolarHBondContact O-N 3.19Å; S149-N152 PolarHBondContact O-N 3.34Å; S149-N152 VanDerWaalsContact O-N 3.1Å; S149-N152 PolarHBondContact OG-ND2 3.25Å
150N35.8Very low40.4Very low130 Ų13094.8 Ų94.870%0.69551%0.506SS*.G310 helixtrans-51.4-30.9-167.3-73.4-19.8000114.1L148 N152 L153L148-N150 PolarHBondContact O-N 3.32Å; N150-N152 PolarHBondContact O-N 3.33Å; N150-L153 PolarHBondContact O-N 3.11Å; N150-L153 VanDerWaalsContact O-N 3.1Å
151D37.9Very low38.8Very low128 Ų12898.8 Ų98.868%0.68452%0.522SS*.G310 helixtrans-61.1-14.2-178.8-51.3-20.8000114.8S149 S154S149-D151 PolarHBondContact O-N 3.19Å; D151-S154 PolarHBondContact O-OG 3.19Å
152N36.4Very low37.4Very low87 Ų87104 Ų10447%0.46555%0.545SS..G310 helixtrans-93.3-16.9176.9-70.1-53.2000114.1S149 N150S149-N152 PolarHBondContact O-N 3.34Å; S149-N152 VanDerWaalsContact O-N 3.1Å; S149-N152 PolarHBondContact OG-ND2 3.25Å; N150-N152 PolarHBondContact O-N 3.33Å
153L33.8Very low36.1Very low55 Ų55111.2 Ų111.229%0.28858%0.583SS.*THydrogen-bonded Turntrans-82.1-31.3178.6-89.4159.4000112.5L148 N150 N155 I156 S157L148-L153 HydrophobicContact CB-CD1 4.42Å; L148-L153 HydrophobicContact CD1-CD1 4.28Å; L148-L153 HydrophobicContact CD2-CD1 4.05Å; L148-L153 HydrophobicContact CD2-CG 4.27Å; L148-L153 HydrophobicContact CG-CD1 4.49Å; N150-L153 PolarHBondContact O-N 3.11Å; N150-L153 VanDerWaalsContact O-N 3.1Å; L153-N155 VanDerWaalsContact C-N 3.26Å; L153-N155 PolarHBondContact O-N 3.1Å; L153-I156 PolarHBondContact O-N 3.06Å; L153-I156 VanDerWaalsContact O-N 3.07Å; L153-S157 PolarHBondContact O-N 3.27Å
154S38Very low34.8Very low65 Ų65115.1 Ų115.146%0.45560%0.6SS.*G310 helixtrans-59.7-35.2174.553.70000112.6D151 I156 S157D151-S154 PolarHBondContact O-OG 3.19Å; S154-I156 PolarHBondContact O-N 2.97Å; S154-S157 PolarHBondContact O-N 3.43Å; S154-S157 PolarHBondContact O-OG 3.38Å; S154-S157 VanDerWaalsContact O-OG 3.11Å
155N33.1Very low33.9Very low101 Ų101114.4 Ų114.454%0.5460%0.6SS.*G310 helixtrans-73.4-7.7177.8-70.6-30.4000114L153L153-N155 VanDerWaalsContact C-N 3.26Å; L153-N155 PolarHBondContact O-N 3.1Å
156I29.8Very low32.9Very low73 Ų73119.3 Ų119.337%0.37463%0.63SS.*G310 helixtrans-92.5-19.3170-58.4177.1000110.6L153 S154 Y158 L181L153-I156 PolarHBondContact O-N 3.06Å; L153-I156 VanDerWaalsContact O-N 3.07Å; S154-I156 PolarHBondContact O-N 2.97Å; I156-Y158 PolarHBondContact O-N 3.1Å; I156-Y158 VanDerWaalsContact O-N 3.09Å; I156-L181 HydrophobicContact CD1-CD2 3.81Å
157S32.1Very low32.4Very low85 Ų85115.7 Ų115.759%0.59462%0.62SS**THydrogen-bonded Turntrans-72.8-0.7-179.1910000114.6L153 S154L153-S157 PolarHBondContact O-N 3.27Å; S154-S157 PolarHBondContact O-N 3.43Å; S154-S157 PolarHBondContact O-OG 3.38Å; S154-S157 VanDerWaalsContact O-OG 3.11Å
158Y28.7Very low32Very low199 Ų199118.4 Ų118.478%0.7864%0.641SS**THydrogen-bonded Turntrans-103.210.2-177.9-113.5-80.4000114.3I156I156-Y158 PolarHBondContact O-N 3.1Å; I156-Y158 VanDerWaalsContact O-N 3.09Å
159F28.4Very low31.7Very low162 Ų162125.7 Ų125.771%0.71167%0.668SS**SBendtrans-109.23.5-175.6-125.7-86.3000115.6
160C27.1Very low31.4Very low126 Ų126129 Ų12985%0.85168%0.68SS**SBendtrans-130.242.7177.4-61.10000112.1
161D27.1Very low31.3Very low147 Ų147127.7 Ų127.779%0.78667%0.673SS**SBendtrans-156.6155.3156-135.9-28.6000111.7
162K30.6Very low31.4Very low184 Ų184126.9 Ų126.980%0.867%0.673SS**  trans7380.3-175.7-49.7-171.3-173.6-167.30115.8D164K162-D164 PolarHBondContact O-N 2.87Å; K162-D164 VanDerWaalsContact O-N 3.12Å
163N26Very low31.6Very low162 Ų162128 Ų12887%0.86668%0.683SS**  trans-54.6104.5134.2-67.9-41.1000108.1
164D29Very low32.2Very low141 Ų141128.7 Ų128.775%0.75469%0.687SS**  trans-172.1121.9148.4-101-28.4000113.9K162K162-D164 PolarHBondContact O-N 2.87Å; K162-D164 VanDerWaalsContact O-N 3.12Å
165T32.7Very low32.5Very low114 Ų114130.2 Ų130.270%0.69969%0.69SS**  trans56.9102.4152.165.20000120.2T167T165-T167 PolarHBondContact O-N 3.41Å
166N25.6Very low33.2Very low170 Ų170129.7 Ų129.791%0.90969%0.687SS**  trans32.972135.1-69.3-19.3000118.6
167T30.4Very low34.9Very low114 Ų114130.7 Ų130.770%0.69969%0.694SS**  trans-126.3114.7151.245.90000111.2T165 Y169T165-T167 PolarHBondContact O-N 3.41Å; T167-Y169 VanDerWaalsContact C-N 3.27Å; T167-Y169 PolarHBondContact O-N 3.41Å
168T30.9Very low36.8Very low142 Ų142129.8 Ų129.887%0.87168%0.684SS**  trans-73.377.3178.1-48.40000110.7
169Y30.8Very low38.9Very low192 Ų192126.6 Ų126.675%0.75368%0.676SS**  trans-83.6144.4167.1-94.5-85.1000111T167 D171T167-Y169 VanDerWaalsContact C-N 3.27Å; T167-Y169 PolarHBondContact O-N 3.41Å; Y169-D171 PolarHBondContact O-N 3.4Å
170N34.6Very low40.7Very low131 Ų131121.8 Ų121.870%0.70166%0.663SS**  trans-84.696.2-170.6-64.9-74.4000111.2T172N170-T172 PolarHBondContact O-N 3.33Å
171D34.8Very low43.1Very low104 Ų104117.4 Ų117.456%0.55663%0.631SS**THydrogen-bonded Turntrans-61.22.4-176.3-71.9-43000116.8Y169 T173Y169-D171 PolarHBondContact O-N 3.4Å; D171-T173 PolarHBondContact O-N 2.7Å; D171-T173 VanDerWaalsContact O-N 3.17Å
172T40.2Very low45.6Very low111 Ų111112.3 Ų112.368%0.68160%0.603SS**THydrogen-bonded Turntrans-71.5-14.1-169.6-17.50000114.5N170 N176N170-T172 PolarHBondContact O-N 3.33Å; T172-N176 PolarHBondContact O-ND2 3.42Å
173T40.5Very low47.6Very low110 Ų110107.3 Ų107.368%0.67559%0.585SS**THydrogen-bonded Turntrans-93.5-30.9179.944.90000114.2D171 N176D171-T173 PolarHBondContact O-N 2.7Å; D171-T173 VanDerWaalsContact O-N 3.17Å; T173-N176 PolarHBondContact O-ND2 3.32Å
174N44.9Very low50.1Low69 Ų69100.1 Ų100.137%0.36955%0.549SS..THydrogen-bonded Turntrans-82.6-35.5-171.9-131.311.2000112.9N176 N177 V178N174-N176 PolarHBondContact O-N 3.48Å; N174-N176 VanDerWaalsContact O-N 3.17Å; N174-N177 WeakPolarHBondContact O-CB 3.43Å; N174-N177 PolarHBondContact O-N 3.3Å; N174-V178 PolarHBondContact O-N 2.89Å
175N45.7Very low52.5Low98 Ų9894 Ų9452%0.52452%0.516SS..Hα-helixtrans-57.2-34.4179.9-69.4-10.3000113.3N177 V178 E179N175-N177 VanDerWaalsContact C-N 3.26Å; N175-N177 PolarHBondContact O-N 3.22Å; N175-V178 PolarHBondContact O-N 3.31Å; N175-E179 PolarHBondContact O-N 3.49Å
176N47.2Very low54.8Low89 Ų8995 Ų9548%0.47651%0.507SS..Hα-helixtrans-64.3-29.6178.6-50.9-58.8000113T172 T173 N174 S180T172-N176 PolarHBondContact O-ND2 3.42Å; T173-N176 PolarHBondContact O-ND2 3.32Å; N174-N176 PolarHBondContact O-N 3.48Å; N174-N176 VanDerWaalsContact O-N 3.17Å; N176-S180 VanDerWaalsContact O-CB 3.3Å; N176-S180 WeakPolarHBondContact O-CB 3.48Å; N176-S180 PolarHBondContact O-N 3.27Å; N176-S180 VanDerWaalsContact O-N 3.17Å; N176-S180 PolarHBondContact O-OG 3.21Å
177N65.7Low57.3Low95 Ų9588.8 Ų88.851%0.50848%0.476SS..Hα-helixtrans-76.6-39.4177.2-71.5-14.9000110.8N174 N175 S180 L181N174-N177 WeakPolarHBondContact O-CB 3.43Å; N174-N177 PolarHBondContact O-N 3.3Å; N175-N177 VanDerWaalsContact C-N 3.26Å; N175-N177 PolarHBondContact O-N 3.22Å; N177-S180 WeakPolarHBondContact O-CB 3.36Å; N177-S180 PolarHBondContact O-N 2.9Å; N177-L181 PolarHBondContact O-N 2.92Å
178V72.3Confident59.7Low66 Ų6683.6 Ų83.640%0.444%0.444SS..Hα-helixtrans-66.3-47.7176.7-178.10000110.9N174 N175 S180 L181 I182N174-V178 PolarHBondContact O-N 2.89Å; N175-V178 PolarHBondContact O-N 3.31Å; V178-S180 VanDerWaalsContact C-N 3.27Å; V178-S180 PolarHBondContact O-N 3.39Å; V178-L181 PolarHBondContact O-N 3.17Å; V178-L181 VanDerWaalsContact O-N 3.1Å; V178-I182 HydrophobicContact CG1-CD1 3.89Å; V178-I182 HydrophobicContact CG1-CG1 4.43Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.25Å; V178-I182 PolarHBondContact O-N 3.07Å
179E72.3Confident62.3Low131 Ų13179.9 Ų79.961%0.61241%0.414SS*.Hα-helixtrans-57.4-42.2173.3-73.6-171.516500111.6N175 L181 I182 D183N175-E179 PolarHBondContact O-N 3.49Å; E179-L181 PolarHBondContact O-N 3.46Å; E179-I182 PolarHBondContact O-N 3.29Å; E179-D183 WeakPolarHBondContact O-CB 3.44Å; E179-D183 PolarHBondContact O-N 3.23Å
180S67.5Low64.7Low61 Ų6172.5 Ų72.543%0.42739%0.393SS..Hα-helixtrans-60.4-44174.7-67.60000112N176 N177 V178 D183 A184 R314N176-S180 VanDerWaalsContact O-CB 3.3Å; N176-S180 WeakPolarHBondContact O-CB 3.48Å; N176-S180 PolarHBondContact O-N 3.27Å; N176-S180 VanDerWaalsContact O-N 3.17Å; N176-S180 PolarHBondContact O-OG 3.21Å; N177-S180 WeakPolarHBondContact O-CB 3.36Å; N177-S180 PolarHBondContact O-N 2.9Å; V178-S180 VanDerWaalsContact C-N 3.27Å; V178-S180 PolarHBondContact O-N 3.39Å; S180-D183 PolarHBondContact O-N 3.2Å; S180-A184 PolarHBondContact O-N 3.07Å; S180-R314 PolarHBondContact O-NH2 3.4Å
181L76.7Confident67.1Low34 Ų3468.2 Ų68.218%0.17837%0.369CS..Hα-helixtrans-64.2-46.3178.2179.458.9000111.6L126 L148 I156 N177 V178 E179 D183 A184 I185L126-L181 HydrophobicContact CD2-CD2 4.04Å; L148-L181 HydrophobicContact CD2-CD1 3.77Å; I156-L181 HydrophobicContact CD1-CD2 3.81Å; N177-L181 PolarHBondContact O-N 2.92Å; V178-L181 PolarHBondContact O-N 3.17Å; V178-L181 VanDerWaalsContact O-N 3.1Å; E179-L181 PolarHBondContact O-N 3.46Å; L181-D183 VanDerWaalsContact C-N 3.35Å; L181-D183 PolarHBondContact O-N 2.94Å; L181-A184 WeakPolarHBondContact O-CB 3.27Å; L181-A184 PolarHBondContact O-N 3.34Å; L181-I185 HydrophobicContact CD1-CD1 4.28Å; L181-I185 HydrophobicContact CG-CD1 4.15Å; L181-I185 PolarHBondContact O-N 2.79Å
182I78.7Confident69.4Low40 Ų4063.5 Ų63.521%0.20534%0.344CS..Hα-helixtrans-56.7-47.7176.8-69170.3000110.8I130 V178 E179 A184 I185 R186I130-I182 HydrophobicContact CD1-CB 4.5Å; I130-I182 HydrophobicContact CD1-CG1 3.89Å; I130-I182 HydrophobicContact CG1-CG1 4.07Å; I130-I182 HydrophobicContact CG2-CG2 3.93Å; V178-I182 HydrophobicContact CG1-CD1 3.89Å; V178-I182 HydrophobicContact CG1-CG1 4.43Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.25Å; V178-I182 PolarHBondContact O-N 3.07Å; E179-I182 PolarHBondContact O-N 3.29Å; I182-A184 VanDerWaalsContact C-N 3.27Å; I182-A184 PolarHBondContact O-N 3.11Å; I182-I185 PolarHBondContact O-N 3.49Å; I182-R186 WeakPolarHBondContact O-CG 3.49Å; I182-R186 PolarHBondContact O-N 2.94Å
183D73.1Confident71.7Confident79 Ų7962.3 Ų62.342%0.42233%0.329SS..Hα-helixtrans-70.3-21.8178.2-90.37.9000113.3E179 S180 L181 R186 C187 R314E179-D183 WeakPolarHBondContact O-CB 3.44Å; E179-D183 PolarHBondContact O-N 3.23Å; S180-D183 PolarHBondContact O-N 3.2Å; L181-D183 VanDerWaalsContact C-N 3.35Å; L181-D183 PolarHBondContact O-N 2.94Å; D183-R186 WeakPolarHBondContact OD1-CD 3.47Å; D183-R186 IonicContact OD1-CZ 3.47Å; D183-R186 IonicContact OD1-NH1 2.69Å; D183-R186 PolarHBondContact OD1-NH1 3.25Å; D183-C187 PolarHBondContact O-N 3.24Å; D183-C187 PolarHBondContact O-SG 2.91Å; D183-R314 VanDerWaalsContact C-NH1 3.29Å; D183-R314 PolarHBondContact O-NH1 3.38Å
184A78.6Confident73.9Confident12 Ų1258.2 Ų58.210%0.09930%0.303CS..Hα-helixtrans-72.2-46170.500000111.1I147 S180 L181 I182 R186 C187 V188I147-A184 HydrophobicContact CG2-CB 3.88Å; S180-A184 PolarHBondContact O-N 3.07Å; L181-A184 WeakPolarHBondContact O-CB 3.27Å; L181-A184 PolarHBondContact O-N 3.34Å; I182-A184 VanDerWaalsContact C-N 3.27Å; I182-A184 PolarHBondContact O-N 3.11Å; A184-R186 PolarHBondContact O-N 3.07Å; A184-C187 WeakPolarHBondContact O-CB 3.42Å; A184-C187 PolarHBondContact O-N 3.16Å; A184-C187 VanDerWaalsContact O-N 3.16Å; A184-V188 PolarHBondContact O-N 3.09Å; A184-V188 VanDerWaalsContact O-N 3.09Å
185I79.6Confident75.8Confident12 Ų1258.4 Ų58.46%0.06230%0.302CS..Hα-helixtrans-57.7-49.1175.1-71.8165.1000110.8L126 F127 I130 V132 L181 I182 C187 V188 Y189L126-I185 HydrophobicContact CD2-CD1 4.13Å; F127-I185 HydrophobicContact CD1-CG2 3.91Å; F127-I185 HydrophobicContact CE1-CG1 4.32Å; F127-I185 HydrophobicContact CE1-CG2 3.6Å; I130-I185 HydrophobicContact CD1-CD1 3.61Å; I130-I185 HydrophobicContact CD1-CG2 4.35Å; V132-I185 HydrophobicContact CG2-CG2 4.34Å; L181-I185 HydrophobicContact CD1-CD1 4.28Å; L181-I185 HydrophobicContact CG-CD1 4.15Å; L181-I185 PolarHBondContact O-N 2.79Å; I182-I185 PolarHBondContact O-N 3.49Å; I185-C187 VanDerWaalsContact C-N 3.27Å; I185-C187 PolarHBondContact O-N 3.18Å; I185-V188 PolarHBondContact O-N 2.97Å; I185-V188 VanDerWaalsContact O-N 3.11Å; I185-Y189 PolarHBondContact O-N 3.05Å
186R81.3Confident77.7Confident135 Ų13557 Ų5751%0.50929%0.292SS..Hα-helixtrans-56.4-38.6175.5-72169.4175.5162.9-1.9112.9I182 D183 A184 A190I182-R186 WeakPolarHBondContact O-CG 3.49Å; I182-R186 PolarHBondContact O-N 2.94Å; D183-R186 WeakPolarHBondContact OD1-CD 3.47Å; D183-R186 IonicContact OD1-CZ 3.47Å; D183-R186 IonicContact OD1-NH1 2.69Å; D183-R186 PolarHBondContact OD1-NH1 3.25Å; A184-R186 PolarHBondContact O-N 3.07Å; R186-A190 WeakPolarHBondContact O-CB 3.49Å; R186-A190 PolarHBondContact O-N 3.39Å
187C77.5Confident79.6Confident39 Ų3954.3 Ų54.326%0.26428%0.282SS..Hα-helixtrans-66.4-43.1175.9-72.70000112.4D183 A184 I185 A190 E191D183-C187 PolarHBondContact O-N 3.24Å; D183-C187 PolarHBondContact O-SG 2.91Å; A184-C187 WeakPolarHBondContact O-CB 3.42Å; A184-C187 PolarHBondContact O-N 3.16Å; A184-C187 VanDerWaalsContact O-N 3.16Å; I185-C187 VanDerWaalsContact C-N 3.27Å; I185-C187 PolarHBondContact O-N 3.18Å; C187-A190 PolarHBondContact O-N 3.41Å; C187-E191 PolarHBondContact O-N 2.97Å
188V81.5Confident80.6Confident6 Ų652 Ų524%0.03627%0.268CS..Hα-helixtrans-65.6-40.3178.61770000111.1K145 I147 A184 I185 E191 M192K145-V188 HydrophobicContact CD-CG2 4.46Å; I147-V188 HydrophobicContact CD1-CG2 3.68Å; A184-V188 PolarHBondContact O-N 3.09Å; A184-V188 VanDerWaalsContact O-N 3.09Å; I185-V188 PolarHBondContact O-N 2.97Å; I185-V188 VanDerWaalsContact O-N 3.11Å; V188-E191 PolarHBondContact O-N 3.11Å; V188-M192 PolarHBondContact O-N 3.06Å
189Y84Confident81.1Confident63 Ų6354.2 Ų54.225%0.24728%0.275CS..Hα-helixtrans-61-43.7173.7-175.3-95.2000112.2V132 L138 I185 E191 M192 K193V132-Y189 HydrophobicContact CG1-CD2 3.44Å; V132-Y189 VanDerWaalsContact CG1-CD2 3.44Å; V132-Y189 HydrophobicContact CG1-CE2 3.77Å; V132-Y189 HydrophobicContact CG1-CG 4.08Å; L138-Y189 HydrophobicContact CD1-CD2 3.95Å; L138-Y189 HydrophobicContact CD2-CD2 4.01Å; I185-Y189 PolarHBondContact O-N 3.05Å; Y189-E191 PolarHBondContact O-N 3.46Å; Y189-M192 HydrophobicContact CD2-CE 4.25Å; Y189-M192 HydrophobicContact CE2-CE 4.26Å; Y189-M192 PolarHBondContact O-N 3.12Å; Y189-K193 HydrophobicContact CD1-CG 4.26Å; Y189-K193 HydrophobicContact CE1-CG 3.82Å; Y189-K193 VanDerWaalsContact CZ-CE 3.48Å; Y189-K193 PolarHBondContact O-N 2.9Å; Y189-K193 WeakPolarHBondContact OH-CE 3.41Å
190A82.8Confident82Confident37 Ų3752.7 Ų52.731%0.30627%0.27SS..Hα-helixtrans-63.2-37.8175.900000112.8R186 C187 I194 L307R186-A190 WeakPolarHBondContact O-CB 3.49Å; R186-A190 PolarHBondContact O-N 3.39Å; C187-A190 PolarHBondContact O-N 3.41Å; A190-I194 WeakPolarHBondContact O-CB 3.48Å; A190-I194 WeakPolarHBondContact O-CD1 3.42Å; A190-I194 VanDerWaalsContact O-CG1 3.28Å; A190-I194 WeakPolarHBondContact O-CG1 3.36Å; A190-I194 PolarHBondContact O-N 3.5Å; A190-I194 VanDerWaalsContact O-N 3.13Å; A190-L307 HydrophobicContact CB-CD2 4.28Å
191E83.5Confident83Confident41 Ų4150.2 Ų50.219%0.19225%0.253CS..Hα-helixtrans-60.9-45.9171.4-71.2-170.8134.400111.7K145 C187 V188 Y189 I194 E195 L307 Q311K145-E191 IonicContact NZ-OE2 3.68Å; K145-E191 PolarHBondContact NZ-OE2 3.35Å; C187-E191 PolarHBondContact O-N 2.97Å; V188-E191 PolarHBondContact O-N 3.11Å; Y189-E191 PolarHBondContact O-N 3.46Å; E191-I194 WeakPolarHBondContact O-CB 3.19Å; E191-I194 PolarHBondContact O-N 3.03Å; E191-E195 WeakPolarHBondContact O-CG 3.21Å; E191-E195 PolarHBondContact O-N 3.05Å; E191-L307 HydrophobicContact CB-CD2 4.47Å; E191-L307 HydrophobicContact CG-CD2 3.58Å; E191-L307 HydrophobicContact CG-CG 4.4Å; E191-Q311 PolarHBondContact OE1-NE2 3.28Å
192M84.2Confident83.5Confident6 Ų653.1 Ų53.13%0.0327%0.268CS..Hα-helixtrans-62.2-45.6-179.2-173.6-179.68000112.3D135 L138 V188 Y189 I194 E195 Q196D135-M192 WeakPolarHBondContact OD2-CE 3.44Å; L138-M192 HydrophobicContact CB-SD 4.33Å; L138-M192 HydrophobicContact CD1-CE 3.88Å; L138-M192 HydrophobicContact CD1-SD 3.77Å; V188-M192 PolarHBondContact O-N 3.06Å; Y189-M192 HydrophobicContact CD2-CE 4.25Å; Y189-M192 HydrophobicContact CE2-CE 4.26Å; Y189-M192 PolarHBondContact O-N 3.12Å; M192-I194 VanDerWaalsContact C-N 3.29Å; M192-I194 PolarHBondContact O-N 3.46Å; M192-E195 PolarHBondContact O-N 3.02Å; M192-Q196 WeakPolarHBondContact O-CG 3.34Å; M192-Q196 PolarHBondContact O-N 3.13Å
193K87.9Confident83.8Confident85 Ų8554.9 Ų54.937%0.3728%0.278SS..Hα-helixtrans-64.6-33.1176.5-70.3-63.9-177.4-171.20112.4Y189 A197Y189-K193 HydrophobicContact CD1-CG 4.26Å; Y189-K193 HydrophobicContact CE1-CG 3.82Å; Y189-K193 VanDerWaalsContact CZ-CE 3.48Å; Y189-K193 PolarHBondContact O-N 2.9Å; Y189-K193 WeakPolarHBondContact OH-CE 3.41Å; K193-A197 WeakPolarHBondContact O-CB 3.41Å; K193-A197 PolarHBondContact O-N 3.02Å; K193-A197 VanDerWaalsContact O-N 3.12Å
194I86.9Confident84.3Confident24 Ų2454.6 Ų54.612%0.12328%0.276CS..Hα-helixtrans-66.7-44.1172-75.6167.9000111.2A190 E191 M192 A197 E198 I300 T303 K304 L307A190-I194 WeakPolarHBondContact O-CB 3.48Å; A190-I194 WeakPolarHBondContact O-CD1 3.42Å; A190-I194 VanDerWaalsContact O-CG1 3.28Å; A190-I194 WeakPolarHBondContact O-CG1 3.36Å; A190-I194 PolarHBondContact O-N 3.5Å; A190-I194 VanDerWaalsContact O-N 3.13Å; E191-I194 WeakPolarHBondContact O-CB 3.19Å; E191-I194 PolarHBondContact O-N 3.03Å; M192-I194 VanDerWaalsContact C-N 3.29Å; M192-I194 PolarHBondContact O-N 3.46Å; I194-A197 PolarHBondContact O-N 3.5Å; I194-E198 WeakPolarHBondContact O-CG 3.44Å; I194-E198 PolarHBondContact O-N 3.25Å; I194-I300 HydrophobicContact CG2-CG2 3.91Å; I194-T303 HydrophobicContact CD1-CG2 3.94Å; I194-K304 HydrophobicContact CG2-CB 4.09Å; I194-K304 HydrophobicContact CG2-CD 4.02Å; I194-K304 HydrophobicContact CG2-CG 4.17Å; I194-L307 HydrophobicContact CD1-CD2 3.93Å
195E85Confident84.5Confident74 Ų7455.6 Ų55.635%0.34628%0.28SS..Hα-helixtrans-61.6-44.2176.5-73174174.600112K141 E191 M192 A197 E198 M199K141-E195 IonicContact NZ-OE2 2.75Å; K141-E195 PolarHBondContact NZ-OE2 3.35Å; E191-E195 WeakPolarHBondContact O-CG 3.21Å; E191-E195 PolarHBondContact O-N 3.05Å; M192-E195 PolarHBondContact O-N 3.02Å; E195-A197 PolarHBondContact O-N 2.94Å; E195-E198 PolarHBondContact O-N 3.23Å; E195-M199 PolarHBondContact O-N 2.92Å
196Q85Confident84.5Confident68 Ų6860.5 Ų60.532%0.31830%0.302SS..Hα-helixtrans-59.3-44.4175-72174.8-1.400111.7M192 M199 I200M192-Q196 WeakPolarHBondContact O-CG 3.34Å; M192-Q196 PolarHBondContact O-N 3.13Å; Q196-M199 PolarHBondContact O-N 3.18Å; Q196-I200 WeakPolarHBondContact O-CG1 3.15Å; Q196-I200 PolarHBondContact O-N 3.37Å; Q196-I200 VanDerWaalsContact O-N 3.12Å
197A87.9Confident84.3Confident33 Ų3361.8 Ų61.827%0.27331%0.311SS..Hα-helixtrans-68.1-39.1178.600000112.9K193 I194 E195 M199 I200 I201 I300K193-A197 WeakPolarHBondContact O-CB 3.41Å; K193-A197 PolarHBondContact O-N 3.02Å; K193-A197 VanDerWaalsContact O-N 3.12Å; I194-A197 PolarHBondContact O-N 3.5Å; E195-A197 PolarHBondContact O-N 2.94Å; A197-M199 VanDerWaalsContact C-N 3.34Å; A197-M199 PolarHBondContact O-N 2.85Å; A197-I200 PolarHBondContact O-N 3.37Å; A197-I201 WeakPolarHBondContact O-CD1 3.38Å; A197-I201 WeakPolarHBondContact O-CG1 3.44Å; A197-I201 PolarHBondContact O-N 3.04Å; A197-I201 VanDerWaalsContact O-N 3.15Å; A197-I300 HydrophobicContact CB-CD1 3.74Å
198E86.4Confident84.1Confident46 Ų4662.8 Ų62.822%0.21531%0.311CS..Hα-helixtrans-59.6-43.6172.7-73.8-175.9155.700111.4I194 E195 I201 N202 I300 K304I194-E198 WeakPolarHBondContact O-CG 3.44Å; I194-E198 PolarHBondContact O-N 3.25Å; E195-E198 PolarHBondContact O-N 3.23Å; E198-I201 PolarHBondContact O-N 2.74Å; E198-N202 WeakPolarHBondContact O-CB 3.45Å; E198-N202 PolarHBondContact O-N 2.66Å; E198-N202 PolarHBondContact O-ND2 2.57Å; E198-N202 VanDerWaalsContact O-ND2 3.15Å; E198-I300 HydrophobicContact CG-CG2 3.49Å; E198-I300 VanDerWaalsContact CG-CG2 3.49Å; E198-K304 WeakPolarHBondContact OE1-CD 3.37Å; E198-K304 IonicContact OE1-NZ 2.66Å; E198-K304 PolarHBondContact OE1-NZ 3.04Å; E198-K304 IonicContact OE2-NZ 3.62Å; E198-K304 PolarHBondContact OE2-NZ 2.83Å
199M83.5Confident83.3Confident112 Ų11266.1 Ų66.155%0.55234%0.34SS*.Hα-helixtrans-60.6-50.4177.9-175.9-179.171.700111.9E195 Q196 A197 I201 N202 N203E195-M199 PolarHBondContact O-N 2.92Å; Q196-M199 PolarHBondContact O-N 3.18Å; A197-M199 VanDerWaalsContact C-N 3.34Å; A197-M199 PolarHBondContact O-N 2.85Å; M199-I201 VanDerWaalsContact C-N 3.3Å; M199-I201 PolarHBondContact O-N 3.5Å; M199-N202 PolarHBondContact O-N 3.01Å; M199-N203 WeakPolarHBondContact O-CB 3.02Å; M199-N203 PolarHBondContact O-N 3.39Å; M199-N203 PolarHBondContact O-OD1 3.37Å
200I90.4Very high81.8Confident99 Ų9969.2 Ų69.251%0.50836%0.356SS..Hα-helixtrans-58.9-42-179.6-67.2164.8000111.3Q196 A197 L204Q196-I200 WeakPolarHBondContact O-CG1 3.15Å; Q196-I200 PolarHBondContact O-N 3.37Å; Q196-I200 VanDerWaalsContact O-N 3.12Å; A197-I200 PolarHBondContact O-N 3.37Å; I200-L204 HydrophobicContact CG2-CD1 4.31Å; I200-L204 WeakPolarHBondContact O-CG 3.41Å; I200-L204 PolarHBondContact O-N 2.83Å
201I89.4Confident79.9Confident10 Ų1072.1 Ų72.15%0.05137%0.372CS..Hα-helixtrans-75.8-36.7-177.6-68.9157.3000112A197 E198 M199 N203 L204 I205 L296 A297 I300A197-I201 WeakPolarHBondContact O-CD1 3.38Å; A197-I201 WeakPolarHBondContact O-CG1 3.44Å; A197-I201 PolarHBondContact O-N 3.04Å; A197-I201 VanDerWaalsContact O-N 3.15Å; E198-I201 PolarHBondContact O-N 2.74Å; M199-I201 VanDerWaalsContact C-N 3.3Å; M199-I201 PolarHBondContact O-N 3.5Å; I201-N203 VanDerWaalsContact C-N 3.33Å; I201-L204 PolarHBondContact O-N 3.44Å; I201-I205 HydrophobicContact CG2-CD1 3.73Å; I201-I205 HydrophobicContact CG2-CG1 4.32Å; I201-I205 VanDerWaalsContact O-CG1 3.3Å; I201-I205 WeakPolarHBondContact O-CG1 3.48Å; I201-I205 PolarHBondContact O-N 2.72Å; I201-L296 HydrophobicContact CD1-CB 4.19Å; I201-L296 HydrophobicContact CD1-CD2 3.46Å; I201-L296 VanDerWaalsContact CD1-CD2 3.46Å; I201-L296 HydrophobicContact CD1-CG 3.53Å; I201-L296 HydrophobicContact CG1-CD2 3.99Å; I201-L296 HydrophobicContact CG1-CG 4.46Å; I201-A297 HydrophobicContact CG2-CB 3.89Å; I201-I300 HydrophobicContact CD1-CD1 3.19Å
202N86.3Confident77.8Confident94 Ų9474.7 Ų74.750%0.50340%0.395SS..Hα-helixtrans-61.5-45.3172.8-69.5-24.6000110.3E198 M199 L204 I205 E206E198-N202 WeakPolarHBondContact O-CB 3.45Å; E198-N202 PolarHBondContact O-N 2.66Å; E198-N202 PolarHBondContact O-ND2 2.57Å; E198-N202 VanDerWaalsContact O-ND2 3.15Å; M199-N202 PolarHBondContact O-N 3.01Å; N202-L204 VanDerWaalsContact C-N 3.29Å; N202-L204 PolarHBondContact O-N 2.74Å; N202-I205 PolarHBondContact O-N 3.06Å; N202-I205 VanDerWaalsContact O-N 3.16Å; N202-E206 WeakPolarHBondContact O-CB 3.48Å; N202-E206 PolarHBondContact O-N 3.15Å
203N84.6Confident75.5Confident77 Ų7780.2 Ų80.241%0.41242%0.424SS..Hα-helixtrans-61.4-35.4176-64.32000112.4M199 I201 K207M199-N203 WeakPolarHBondContact O-CB 3.02Å; M199-N203 PolarHBondContact O-N 3.39Å; M199-N203 PolarHBondContact O-OD1 3.37Å; I201-N203 VanDerWaalsContact C-N 3.33Å; N203-K207 WeakPolarHBondContact O-CB 3.4Å; N203-K207 VanDerWaalsContact O-CG 3.28Å; N203-K207 WeakPolarHBondContact O-CG 3.33Å; N203-K207 PolarHBondContact O-N 3.37Å; N203-K207 VanDerWaalsContact O-N 3.13Å
204L83.6Confident73Confident73 Ų7385.2 Ų85.238%0.38245%0.451SS..Hα-helixtrans-69.2-43.7173.4-75.7170.8000112.1I200 I201 N202 E206 K207 F208I200-L204 HydrophobicContact CG2-CD1 4.31Å; I200-L204 WeakPolarHBondContact O-CG 3.41Å; I200-L204 PolarHBondContact O-N 2.83Å; I201-L204 PolarHBondContact O-N 3.44Å; N202-L204 VanDerWaalsContact C-N 3.29Å; N202-L204 PolarHBondContact O-N 2.74Å; L204-E206 VanDerWaalsContact C-N 3.35Å; L204-K207 PolarHBondContact O-N 2.76Å; L204-F208 WeakPolarHBondContact O-CD2 3.46Å; L204-F208 PolarHBondContact O-N 3.47Å
205I83.3Confident70.5Confident34 Ų3492.8 Ų92.817%0.17448%0.48CS..Hα-helixtrans-65.4-39.9178.3-69.4167.8000110.6I201 N202 F208 A209 L290 C293 A297I201-I205 HydrophobicContact CG2-CD1 3.73Å; I201-I205 HydrophobicContact CG2-CG1 4.32Å; I201-I205 VanDerWaalsContact O-CG1 3.3Å; I201-I205 WeakPolarHBondContact O-CG1 3.48Å; I201-I205 PolarHBondContact O-N 2.72Å; N202-I205 PolarHBondContact O-N 3.06Å; N202-I205 VanDerWaalsContact O-N 3.16Å; I205-F208 CarbonylContact O-C 3.5Å; I205-F208 PolarHBondContact O-N 3.36Å; I205-F208 VanDerWaalsContact O-N 3.11Å; I205-A209 WeakPolarHBondContact O-CB 3.5Å; I205-A209 PolarHBondContact O-N 3.05Å; I205-L290 HydrophobicContact CG1-CD1 4.43Å; I205-L290 HydrophobicContact CG2-CD1 4.49Å; I205-C293 HydrophobicContact CD1-CB 4.36Å; I205-C293 HydrophobicContact CG1-CB 3.88Å; I205-A297 HydrophobicContact CD1-CB 4.32Å
206E79.7Confident68.1Low114 Ų11495.4 Ų95.453%0.53350%0.501SS..Hα-helixtrans-61.8-46.4175.7-171.8163.1-14200111.3N202 L204 F208 A209 E210N202-E206 WeakPolarHBondContact O-CB 3.48Å; N202-E206 PolarHBondContact O-N 3.15Å; L204-E206 VanDerWaalsContact C-N 3.35Å; E206-F208 PolarHBondContact O-N 3.48Å; E206-F208 VanDerWaalsContact O-N 3.13Å; E206-A209 WeakPolarHBondContact O-CA 3.11Å; E206-A209 WeakPolarHBondContact O-CB 3.44Å; E206-A209 PolarHBondContact O-N 2.92Å; E206-E210 PolarHBondContact O-N 2.98Å
207K77.3Confident65.3Low163 Ų16394.1 Ų94.171%0.70950%0.499SS*.Hα-helixtrans-62.2-16.2172-73.9180178.7-166.90115.1N203 L204N203-K207 WeakPolarHBondContact O-CB 3.4Å; N203-K207 VanDerWaalsContact O-CG 3.28Å; N203-K207 WeakPolarHBondContact O-CG 3.33Å; N203-K207 PolarHBondContact O-N 3.37Å; N203-K207 VanDerWaalsContact O-N 3.13Å; L204-K207 PolarHBondContact O-N 2.76Å
208F72.4Confident62.9Low59 Ų5997.7 Ų97.726%0.25952%0.518SS..Hα-helixtrans-98.5-10.8169.8-72.1-57.8000113.6L204 I205 E206 L282 L289 L290L204-F208 WeakPolarHBondContact O-CD2 3.46Å; L204-F208 PolarHBondContact O-N 3.47Å; I205-F208 CarbonylContact O-C 3.5Å; I205-F208 PolarHBondContact O-N 3.36Å; I205-F208 VanDerWaalsContact O-N 3.11Å; E206-F208 PolarHBondContact O-N 3.48Å; E206-F208 VanDerWaalsContact O-N 3.13Å; F208-L282 HydrophobicContact CB-CD2 4.37Å; F208-L282 HydrophobicContact CD1-CD2 4Å; F208-L282 HydrophobicContact CG-CD2 4.45Å; F208-L289 HydrophobicContact CE1-CD2 4.49Å; F208-L289 HydrophobicContact CE2-CD2 4.11Å; F208-L289 HydrophobicContact CE2-CG 4.03Å; F208-L289 HydrophobicContact CZ-CD2 3.55Å; F208-L289 HydrophobicContact CZ-CG 3.91Å; F208-L290 HydrophobicContact CB-CD1 3.95Å; F208-L290 HydrophobicContact CD2-CD1 4.36Å; F208-L290 HydrophobicContact CG-CD1 4.46Å
209A64.8Low60.6Low77 Ų77102.8 Ų102.864%0.63654%0.541SS*.Hα-helixtrans-93.9-28.6179.100000112.3I205 E206 P211I205-A209 WeakPolarHBondContact O-CB 3.5Å; I205-A209 PolarHBondContact O-N 3.05Å; E206-A209 WeakPolarHBondContact O-CA 3.11Å; E206-A209 WeakPolarHBondContact O-CB 3.44Å; E206-A209 PolarHBondContact O-N 2.92Å; A209-P211 WeakPolarHBondContact O-CD 3.39Å
210E53.1Low58.2Low127 Ų127104 Ų10459%0.59355%0.55SS**SBendtrans-71.1123.1170.6-67.4-168.8145.900110.9E206 S212E206-E210 PolarHBondContact O-N 2.98Å; E210-S212 PolarHBondContact O-N 3.34Å; E210-S212 VanDerWaalsContact O-N 3.09Å
211P42.5Very low55.2Low99 Ų99105.2 Ų105.264%0.64356%0.557SS**  trans-87.953.4-178.536.9-36000111.9A209 Y280A209-P211 WeakPolarHBondContact O-CD 3.39Å; P211-Y280 HydrophobicContact CB-CD1 4.12Å; P211-Y280 HydrophobicContact CB-CE1 4.28Å
212S39.4Very low52.3Low94 Ų94109.8 Ų109.866%0.65759%0.588SS**  trans-144.8165.5-177.9-69.40000112.5E210E210-S212 PolarHBondContact O-N 3.34Å; E210-S212 VanDerWaalsContact O-N 3.09Å
213D37.2Very low49.7Very low122 Ų122111.5 Ų111.565%0.65260%0.597SS**  trans65.456.4166.8-65.13.7000119.2Y215D213-Y215 VanDerWaalsContact C-N 3.27Å
214M34.2Very low47Very low191 Ų191114.2 Ų114.294%0.94161%0.611SS**  -884.9127-90.7-151.372.700113.2T216M214-T216 PolarHBondContact O-N 3.33Å; M214-T216 VanDerWaalsContact O-N 3.14Å
215Y34.3Very low44.4Very low182 Ų182117.9 Ų117.971%0.71463%0.631SS**  trans-66.7103.7155-78.7-90000108.8D213 S217D213-Y215 VanDerWaalsContact C-N 3.27Å; Y215-S217 VanDerWaalsContact C-N 3.26Å; Y215-S217 PolarHBondContact O-N 3.15Å
216T34.3Very low41.7Very low130 Ų130123.3 Ų123.380%0.79866%0.66SS**  trans-59102.414247.80000105.9M214 V218M214-T216 PolarHBondContact O-N 3.33Å; M214-T216 VanDerWaalsContact O-N 3.14Å; T216-V218 PolarHBondContact O-N 3.11Å
217S27.5Very low39.2Very low40 Ų40125.5 Ų125.528%0.2867%0.674SS.*  trans-56.5135.4-176.453.90000110.2Y215 E219 N220Y215-S217 VanDerWaalsContact C-N 3.26Å; Y215-S217 PolarHBondContact O-N 3.15Å; S217-E219 PolarHBondContact O-N 3.13Å; S217-E219 VanDerWaalsContact O-N 3.09Å; S217-N220 PolarHBondContact O-N 2.83Å; S217-N220 VanDerWaalsContact O-N 3.11Å; S217-N220 PolarHBondContact OG-ND2 2.96Å; S217-N220 VanDerWaalsContact OG-ND2 3.12Å
218V36.3Very low36.6Very low109 Ų109126.3 Ų126.366%0.66168%0.678SS**G310 helixtrans-60.2-19.3177173.80000111.3T216 N220 L221T216-V218 PolarHBondContact O-N 3.11Å; V218-N220 PolarHBondContact O-N 3.16Å; V218-N220 VanDerWaalsContact O-N 3.15Å; V218-L221 PolarHBondContact O-N 3.42Å
219E39.3Very low34.3Very low152 Ų152128.7 Ų128.771%0.7170%0.701SS**G310 helixtrans-62.5-12.9174.1-60.1177.3152.600114.5S217S217-E219 PolarHBondContact O-N 3.13Å; S217-E219 VanDerWaalsContact O-N 3.09Å
220N31.9Very low32.2Very low139 Ų139131.7 Ų131.774%0.74371%0.706SS**G310 helixtrans-92.14.1171.1-73.4-68.4000113.8S217 V218S217-N220 PolarHBondContact O-N 2.83Å; S217-N220 VanDerWaalsContact O-N 3.11Å; S217-N220 PolarHBondContact OG-ND2 2.96Å; S217-N220 VanDerWaalsContact OG-ND2 3.12Å; V218-N220 PolarHBondContact O-N 3.16Å; V218-N220 VanDerWaalsContact O-N 3.15Å
221L28.8Very low30.8Very low123 Ų123132.5 Ų132.564%0.64471%0.713SS**SBendtrans-89.1132.3152.4-83.8130.3000107.7V218 N223V218-L221 PolarHBondContact O-N 3.42Å; L221-N223 PolarHBondContact O-N 3.34Å
222P28.4Very low30Very low107 Ų107136.6 Ų136.670%0.69572%0.723SS**  trans-58125.7-177.122.4-32.5000110.4D224P222-D224 PolarHBondContact O-N 2.88Å
223N29.9Very low29.2Very low130 Ų130138.8 Ų138.870%0.69573%0.728SS**  trans-73.830.9-172-82.6-35.8000114.4L221L221-N223 PolarHBondContact O-N 3.34Å
224D28.1Very low28.7Very low133 Ų133139.1 Ų139.171%0.71173%0.734SS**  trans-80.9122.2176.2-69-27.4000110.3P222P222-D224 PolarHBondContact O-N 2.88Å
225N28.6Very low28.1Very low150 Ų150134.5 Ų134.580%0.80272%0.72SS**SBendtrans90.649.1169.4-46-66.6000119.2
226L27.3Very low27.6Very low149 Ų149133.8 Ų133.878%0.7873%0.729SS**  trans-133.650.5152.2-77.3-177.4000113.2F228L226-F228 VanDerWaalsContact C-N 3.28Å; L226-F228 HydrophobicContact CD2-CE2 4.43Å; L226-F228 PolarHBondContact O-N 3Å
227L26.8Very low27.3Very low160 Ų160130.8 Ų130.884%0.83872%0.724SS**  trans-77.279.5172.5-142.8166.1000110.4C229L227-C229 HydrophobicContact CD2-CB 4.36Å; L227-C229 PolarHBondContact O-N 3.13Å
228F24Very low27.2Very low180 Ų180135.8 Ų135.879%0.78975%0.747SS**  trans-68.2117.3166.3-97.8-97000109.6L226L226-F228 VanDerWaalsContact C-N 3.28Å; L226-F228 HydrophobicContact CD2-CE2 4.43Å; L226-F228 PolarHBondContact O-N 3Å
229C22.7Very low26.9Very low108 Ų108136.2 Ų136.273%0.7375%0.746SS**  trans-143.397.5161.9-94.60000111.8L227L227-C229 HydrophobicContact CD2-CB 4.36Å; L227-C229 PolarHBondContact O-N 3.13Å
230N22.5Very low26.3Very low140 Ų140137.3 Ų137.375%0.74975%0.748SS**  trans23.9105.9147.5-67-19.3000120.2H232N230-H232 PolarHBondContact O-N 3.09Å
231I21.9Very low26.2Very low144 Ų144139.9 Ų139.974%0.73875%0.753SS**  2.2113.5118.9-56.2165.7000114.2
232H26.6Very low26.2Very low185 Ų185139.8 Ų139.886%0.85676%0.763SS**  trans-129.6126.4152.1-107.6-82.1000110N230N230-H232 PolarHBondContact O-N 3.09Å
233N22.4Very low26Very low141 Ų141142.7 Ų142.775%0.75477%0.771SS**  trans-90.1129.6179.4-66.2-53.3000111.2
234T26.4Very low26.2Very low129 Ų129141.5 Ų141.579%0.79177%0.771SS**  trans-162.4102.715441.90000107.2
235S22.5Very low26.2Very low93 Ų93142.8 Ų142.865%0.6578%0.778SS**  80.7129.176.874.50000115.4
236N22.9Very low26Very low168 Ų168143.7 Ų143.790%0.89878%0.777SS**  trans82.1148.4158.6-52.5-19.3000118.8
237G27.7Very low26.1Very low66 Ų66146.4 Ų146.468%0.6878%0.782SS**  trans116.261.5178.200000114.4
238D25.8Very low26Very low145 Ų145144.4 Ų144.478%0.77578%0.782SS**  49.5105.5105.5-67.5-44.2000117.2
239N29.7Very low26.1Very low119 Ų119143.7 Ų143.764%0.63679%0.786SS**  165.3121.5107.6-90.3-77.5000114
240K27.2Very low26.2Very low174 Ų174143.6 Ų143.676%0.75779%0.786SS**  trans44.6106.4132-55.6169.4-174.5144.30119.6
241K30Very low26.4Very low194 Ų194144.4 Ų144.484%0.84379%0.79SS**  172.4160.2105.6-93.4163.6-177.2177.70113.7
242S28Very low26.8Very low121 Ų121142.8 Ų142.885%0.84679%0.789SS**  trans64.5117169.537.30000119.3
243L25Very low26.8Very low167 Ų167138.8 Ų138.887%0.87478%0.782SS**  trans-89.3-174.4165.4-14580.6000109.1
244P33.2Very low26.9Very low106 Ų106141.3 Ų141.369%0.68879%0.789SS**  -117.1173.1-107.141-25.9000113.6
245N28.3Very low27Very low159 Ų159140.5 Ų140.585%0.8578%0.784SS**  trans-155146.4130.4-140.4-17.3000112.9
246E25.4Very low27.2Very low170 Ų170141.7 Ų141.779%0.79479%0.793SS**  trans-80.2143.7-179.4-56.9177.9147.800111.4
247K29.1Very low27.6Very low205 Ų205139.1 Ų139.189%0.89178%0.782SS**  -165112.5126.1-106.9158.8-170.4177.20111.6L249K247-L249 PolarHBondContact O-N 3.12Å
248S24.1Very low27.8Very low118 Ų118139.6 Ų139.683%0.82578%0.776SS**  trans-62124.216851.90000111.3
249L26.9Very low28.3Very low166 Ų166140.9 Ų140.987%0.86978%0.782SS**  trans-138.9124.3146.7-159.867.9000109.6K247K247-L249 PolarHBondContact O-N 3.12Å
250S25.2Very low28.7Very low106 Ų106141.1 Ų141.174%0.74178%0.777SS**  trans-71.6126.7-177.9500000111.9
251N26.8Very low29.8Very low156 Ų156135.9 Ų135.983%0.83476%0.763SS**  trans-106.5135.5156.9-87.4-15.1000109.5
252P29.5Very low30.5Very low111 Ų111131.5 Ų131.572%0.72175%0.754SS**  trans-77.2154.1-175.131.4-35.1000112.9H254P252-H254 PolarHBondContact O-N 3.11Å
253S26Very low31.2Very low101 Ų101131.2 Ų131.271%0.70674%0.742SS**  trans-62.4125-177.250.70000114.2T255S253-T255 PolarHBondContact O-N 3.15Å; S253-T255 VanDerWaalsContact O-N 3.08Å
254H25.4Very low32.2Very low193 Ų193128.3 Ų128.389%0.89472%0.722SS**  trans-72.990.1161.4-82.3-107.1000110.6P252 S256P252-H254 PolarHBondContact O-N 3.11Å; H254-S256 PolarHBondContact O-N 3.09Å
255T28Very low33.1Very low113 Ų113128.8 Ų128.869%0.69371%0.713SS**  trans-81.599.9161.245.10000109.3S253 V257S253-T255 PolarHBondContact O-N 3.15Å; S253-T255 VanDerWaalsContact O-N 3.08Å; T255-V257 PolarHBondContact O-N 2.97Å
256S26.9Very low34.3Very low118 Ų118126.7 Ų126.783%0.82570%0.702SS**  trans-65.4112.2172.240.90000110.3H254 S258H254-S256 PolarHBondContact O-N 3.09Å; S256-S258 PolarHBondContact O-N 3.41Å
257V30.6Very low35.2Very low113 Ų113122.3 Ų122.369%0.68568%0.683SS**  trans-79.6104.4-177.9179.20000109.6T255 L259T255-V257 PolarHBondContact O-N 2.97Å; V257-L259 PolarHBondContact O-N 3.21Å
258S33.5Very low36Very low77 Ų77118.7 Ų118.754%0.53867%0.673SS.*  trans-57123.3164171.10000110.1S256 F260S256-S258 PolarHBondContact O-N 3.41Å; S258-F260 PolarHBondContact O-N 2.86Å
259L36.4Very low37.3Very low172 Ų172118 Ų11890%0.90166%0.664SS**  trans-76.662.2-171.8-73.2162.8000112.7V257V257-L259 PolarHBondContact O-N 3.21Å
260F37Very low38.2Very low123 Ų123114 Ų11454%0.53964%0.641SS.*  trans-75.8135.3154.1-81.1-86.1000109.2S258 F264S258-F260 PolarHBondContact O-N 2.86Å; F260-F264 HydrophobicContact CD1-CD1 4.04Å; F260-F264 HydrophobicContact CE1-CD1 4.43Å
261S51.2Low39.4Very low65 Ų65112 Ų11246%0.45563%0.626SS.*  trans-50.5129.3169.3174.30000109I263 F264 K265S261-I263 PolarHBondContact O-N 2.91Å; S261-F264 PolarHBondContact O-N 3.18Å; S261-K265 PolarHBondContact O-N 2.98Å
262P43.7Very low40.5Very low101 Ų101112 Ų11266%0.65662%0.621SS**Hα-helixtrans-59-24.5-176.121.6-32.2000112.3F264 K265 L266P262-F264 VanDerWaalsContact C-N 3.34Å; P262-F264 PolarHBondContact O-N 3.37Å; P262-K265 PolarHBondContact O-N 3.07Å; P262-L266 WeakPolarHBondContact O-CB 3.45Å; P262-L266 PolarHBondContact O-N 3.01Å
263I42.6Very low41.6Very low116 Ų116111.4 Ų111.460%0.59562%0.62SS**Hα-helixtrans-59.1-42.5172.4-56.8173.9000111.3S261 L266 L267S261-I263 PolarHBondContact O-N 2.91Å; I263-L266 WeakPolarHBondContact O-CB 2.92Å; I263-L266 PolarHBondContact O-N 3.08Å; I263-L267 HydrophobicContact CG2-CD1 4.19Å; I263-L267 WeakPolarHBondContact O-CG 3.43Å; I263-L267 PolarHBondContact O-N 3.34Å
264F46.8Very low42.9Very low106 Ų106113 Ų11347%0.46562%0.617SS.*Hα-helixtrans-71.2-38.1-177.9-161.7-100.8000112F260 S261 P262 L266 L267 L268F260-F264 HydrophobicContact CD1-CD1 4.04Å; F260-F264 HydrophobicContact CE1-CD1 4.43Å; S261-F264 PolarHBondContact O-N 3.18Å; P262-F264 VanDerWaalsContact C-N 3.34Å; P262-F264 PolarHBondContact O-N 3.37Å; F264-L266 VanDerWaalsContact C-N 3.34Å; F264-L267 PolarHBondContact O-N 3.22Å; F264-L268 HydrophobicContact CD1-CD1 3.88Å; F264-L268 HydrophobicContact CD1-CG 4.33Å; F264-L268 HydrophobicContact CE1-CD1 3.74Å; F264-L268 HydrophobicContact CE1-CG 4.16Å; F264-L268 WeakPolarHBondContact O-CG 3.4Å; F264-L268 PolarHBondContact O-N 3.08Å
265K51.9Low43.8Very low115 Ų115105.6 Ų105.650%0.558%0.583SS.*Hα-helixtrans-62.2-41.2168.1-87.3-178.6173.1172.70111.8S261 P262 L267 L268 T269S261-K265 PolarHBondContact O-N 2.98Å; P262-K265 PolarHBondContact O-N 3.07Å; K265-L267 VanDerWaalsContact C-N 3.29Å; K265-L267 PolarHBondContact O-N 3.49Å; K265-L268 PolarHBondContact O-N 2.91Å; K265-T269 WeakPolarHBondContact O-CG2 3.47Å; K265-T269 PolarHBondContact O-N 2.98Å; K265-T269 VanDerWaalsContact O-N 3.16Å; K265-T269 PolarHBondContact O-OG1 2.95Å
266L53.2Low45Very low116 Ų116104 Ų10461%0.60757%0.567SS**Hα-helixtrans-63.9-35.4178.2-145.887.6000112.3P262 I263 F264 T269 Q270P262-L266 WeakPolarHBondContact O-CB 3.45Å; P262-L266 PolarHBondContact O-N 3.01Å; I263-L266 WeakPolarHBondContact O-CB 2.92Å; I263-L266 PolarHBondContact O-N 3.08Å; F264-L266 VanDerWaalsContact C-N 3.34Å; L266-T269 WeakPolarHBondContact CA-OG1 3.43Å; L266-T269 PolarHBondContact O-OG1 3.16Å; L266-Q270 WeakPolarHBondContact O-CG 3.3Å; L266-Q270 PolarHBondContact O-NE2 2.99Å
267L43.4Very low46.1Very low77 Ų77102.5 Ų102.540%0.40355%0.554SS.*Hα-helixtrans-67.8-50.3173.9-73166.3000111I263 F264 K265 T269 Q270 I275I263-L267 HydrophobicContact CG2-CD1 4.19Å; I263-L267 WeakPolarHBondContact O-CG 3.43Å; I263-L267 PolarHBondContact O-N 3.34Å; F264-L267 PolarHBondContact O-N 3.22Å; K265-L267 VanDerWaalsContact C-N 3.29Å; K265-L267 PolarHBondContact O-N 3.49Å; L267-T269 PolarHBondContact O-N 2.83Å; L267-Q270 PolarHBondContact O-N 2.79Å; L267-Q270 VanDerWaalsContact O-N 3.07Å; L267-I275 HydrophobicContact CB-CD1 3.96Å; L267-I275 HydrophobicContact CD2-CD1 3.6Å; L267-I275 HydrophobicContact CD2-CG1 4.04Å; L267-I275 HydrophobicContact CD2-CG2 4.18Å; L267-I275 HydrophobicContact CG-CD1 4.39Å; L267-I275 WeakPolarHBondContact O-CD1 3.46Å
268L46.9Very low47Very low129 Ų129102 Ų10268%0.67555%0.548SS*.Hα-helixtrans-60.4-15.9176.9-70.8174.7000114.2F264 K265F264-L268 HydrophobicContact CD1-CD1 3.88Å; F264-L268 HydrophobicContact CD1-CG 4.33Å; F264-L268 HydrophobicContact CE1-CD1 3.74Å; F264-L268 HydrophobicContact CE1-CG 4.16Å; F264-L268 WeakPolarHBondContact O-CG 3.4Å; F264-L268 PolarHBondContact O-N 3.08Å; K265-L268 PolarHBondContact O-N 2.91Å
269T51.3Low47.5Very low104 Ų104104.9 Ų104.964%0.63856%0.556SS**THydrogen-bonded Turntrans-93.6-5.617653.70000115.8K265 L266 L267K265-T269 WeakPolarHBondContact O-CG2 3.47Å; K265-T269 PolarHBondContact O-N 2.98Å; K265-T269 VanDerWaalsContact O-N 3.16Å; K265-T269 PolarHBondContact O-OG1 2.95Å; L266-T269 WeakPolarHBondContact CA-OG1 3.43Å; L266-T269 PolarHBondContact O-OG1 3.16Å; L267-T269 PolarHBondContact O-N 2.83Å
270Q46Very low48.1Very low82 Ų82104.2 Ų104.238%0.38354%0.543SS..SBendtrans-90.1147.9172.2-42.7-56.1-51.300110.8L266 L267 I275L266-Q270 WeakPolarHBondContact O-CG 3.3Å; L266-Q270 PolarHBondContact O-NE2 2.99Å; L267-Q270 PolarHBondContact O-N 2.79Å; L267-Q270 VanDerWaalsContact O-N 3.07Å; Q270-I275 HydrophobicContact CB-CD1 3.56Å; Q270-I275 HydrophobicContact CB-CG1 3.91Å; Q270-I275 HydrophobicContact CG-CD1 3.73Å; Q270-I275 HydrophobicContact CG-CG1 4.15Å
271S50.7Low49.2Very low63 Ų63103.8 Ų103.844%0.44154%0.541SS..  trans-62.7145.2171.957.80000111.5S273 Q274S271-S273 PolarHBondContact O-N 3.06Å; S271-S273 PolarHBondContact OG-OG 3.3Å; S271-Q274 PolarHBondContact O-N 3.01Å
272E49.6Very low49.9Very low156 Ų156103.3 Ų103.373%0.72953%0.533SS*.Hα-helixtrans-50.8-35.3-175.4-68.5177.2124.300114Q274 I275 F276E272-Q274 PolarHBondContact O-N 3.5Å; E272-Q274 VanDerWaalsContact O-N 3.08Å; E272-I275 PolarHBondContact O-N 3.39Å; E272-F276 HydrophobicContact CB-CD2 4.05Å; E272-F276 HydrophobicContact CG-CD2 4.3Å; E272-F276 HydrophobicContact CG-CE2 4.4Å; E272-F276 WeakPolarHBondContact O-CD2 3.38Å; E272-F276 PolarHBondContact O-N 3.17Å
273S53.4Low51.5Low100 Ų100101.5 Ų101.570%0.69952%0.523SS*.Hα-helixtrans-59.3-18.1178.160.10000115.1S271S271-S273 PolarHBondContact O-N 3.06Å; S271-S273 PolarHBondContact OG-OG 3.3Å
274Q51.5Low53Low135 Ų135100.3 Ų100.363%0.63152%0.522SS*.Hα-helixtrans-105-18.2-176.4-65.6-172.3-0.400114.3S271 E272S271-Q274 PolarHBondContact O-N 3.01Å; E272-Q274 PolarHBondContact O-N 3.5Å; E272-Q274 VanDerWaalsContact O-N 3.08Å
275I46.2Very low54.2Low37 Ų3799 Ų9919%0.1953%0.527CS..Hα-helixtrans-104.9-31.4179.7-68.8172.8000112.5L267 Q270 E272 P277L267-I275 HydrophobicContact CB-CD1 3.96Å; L267-I275 HydrophobicContact CD2-CD1 3.6Å; L267-I275 HydrophobicContact CD2-CG1 4.04Å; L267-I275 HydrophobicContact CD2-CG2 4.18Å; L267-I275 HydrophobicContact CG-CD1 4.39Å; L267-I275 WeakPolarHBondContact O-CD1 3.46Å; Q270-I275 HydrophobicContact CB-CD1 3.56Å; Q270-I275 HydrophobicContact CB-CG1 3.91Å; Q270-I275 HydrophobicContact CG-CD1 3.73Å; Q270-I275 HydrophobicContact CG-CG1 4.15Å; E272-I275 PolarHBondContact O-N 3.39Å; I275-P277 WeakPolarHBondContact O-CD 3.46Å
276F51.2Low55.6Low79 Ų7994.1 Ų94.135%0.34651%0.509SS..  trans-107.526-161.4-56.1-73.2000118.8E272 L279 Y280E272-F276 HydrophobicContact CB-CD2 4.05Å; E272-F276 HydrophobicContact CG-CD2 4.3Å; E272-F276 HydrophobicContact CG-CE2 4.4Å; E272-F276 WeakPolarHBondContact O-CD2 3.38Å; E272-F276 PolarHBondContact O-N 3.17Å; F276-L279 HydrophobicContact CD1-CD1 4.02Å; F276-L279 HydrophobicContact CE1-CD1 4.11Å; F276-Y280 HydrophobicContact CB-CE2 4.05Å; F276-Y280 WeakPolarHBondContact O-CD2 3.49Å; F276-Y280 WeakPolarHBondContact O-CE2 3.43Å
277P50.4Low56.9Low86 Ų8695 Ų9556%0.55850%0.504SS*.SBendtrans-78.4-21.7168.631.8-33.3000114I275I275-P277 WeakPolarHBondContact O-CD 3.46Å
278D50.8Low58.7Low104 Ų10498.3 Ų98.356%0.55652%0.515SS*.SBendtrans-102.5-21.8-172.1-83.2-32.3000115.3K281D278-K281 WeakPolarHBondContact O-CB 3.41Å; D278-K281 PolarHBondContact O-N 2.77Å; D278-K281 WeakPolarHBondContact OD1-CD 3.2Å; D278-K281 WeakPolarHBondContact OD1-CE 3.4Å; D278-K281 IonicContact OD1-NZ 2.72Å; D278-K281 PolarHBondContact OD1-NZ 3.17Å
279L44Very low60.5Low137 Ų13796.2 Ų96.272%0.71750%0.504SS*.THydrogen-bonded Turntrans-75.8-26.9177.3-78.7171000113.7F276 K281F276-L279 HydrophobicContact CD1-CD1 4.02Å; F276-L279 HydrophobicContact CE1-CD1 4.11Å; L279-K281 PolarHBondContact O-N 3.35Å
280Y48.9Very low62.1Low157 Ų15793 Ų9362%0.61648%0.483SS*.THydrogen-bonded Turntrans-71.7-7.3170.8-64.6-69.7000113.5P211 F276 L282P211-Y280 HydrophobicContact CB-CD1 4.12Å; P211-Y280 HydrophobicContact CB-CE1 4.28Å; F276-Y280 HydrophobicContact CB-CE2 4.05Å; F276-Y280 WeakPolarHBondContact O-CD2 3.49Å; F276-Y280 WeakPolarHBondContact O-CE2 3.43Å; Y280-L282 PolarHBondContact O-N 3.34Å
281K58.9Low64Low115 Ų11594.4 Ų94.450%0.549%0.493SS..SBendtrans-82.7111.5172.3-68.5172.2-173.6161.20108.8D278 L279 S283D278-K281 WeakPolarHBondContact O-CB 3.41Å; D278-K281 PolarHBondContact O-N 2.77Å; D278-K281 WeakPolarHBondContact OD1-CD 3.2Å; D278-K281 WeakPolarHBondContact OD1-CE 3.4Å; D278-K281 IonicContact OD1-NZ 2.72Å; D278-K281 PolarHBondContact OD1-NZ 3.17Å; L279-K281 PolarHBondContact O-N 3.35Å; K281-S283 PolarHBondContact O-N 3.23Å
282L66.5Low65.8Low55 Ų5596.4 Ų96.429%0.28850%0.498SS..  trans-44134.1164.8-86.176.8000109.9F208 Y280 R287 L290F208-L282 HydrophobicContact CB-CD2 4.37Å; F208-L282 HydrophobicContact CD1-CD2 4Å; F208-L282 HydrophobicContact CG-CD2 4.45Å; Y280-L282 PolarHBondContact O-N 3.34Å; L282-R287 HydrophobicContact CB-CG 3.86Å; L282-R287 PolarHBondContact O-NE 2.98Å; L282-R287 PolarHBondContact O-NH2 2.89Å; L282-L290 HydrophobicContact CD2-CB 4.43Å; L282-L290 HydrophobicContact CD2-CD2 4.09Å
283S77.2Confident67.6Low63 Ų6389.5 Ų89.544%0.44147%0.467SS..  trans-46.2149.9172.1168.10000111K281 S285 G286 R287K281-S283 PolarHBondContact O-N 3.23Å; S283-S285 PolarHBondContact O-N 3.21Å; S283-S285 PolarHBondContact OG-N 2.65Å; S283-S285 PolarHBondContact OG-OG 3.01Å; S283-G286 CarbonylContact O-C 3.26Å; S283-G286 WeakPolarHBondContact O-CA 3.34Å; S283-G286 PolarHBondContact O-N 3.36Å; S283-R287 PolarHBondContact O-N 3.48Å
284P74.8Confident69.4Low90 Ų9089.4 Ų89.458%0.58446%0.455SS*.Hα-helixtrans-51.2-27.5170.6-27.435.8000114.1K288P284-K288 WeakPolarHBondContact O-CD 3.45Å; P284-K288 VanDerWaalsContact O-CG 3.26Å; P284-K288 WeakPolarHBondContact O-CG 3.5Å; P284-K288 PolarHBondContact O-N 3.41Å
285S72.1Confident71.3Confident80 Ų8091.2 Ų91.256%0.55946%0.457SS*.Hα-helixtrans-74.3-45.2170.252.90000112.6S283 R287 K288 L289S283-S285 PolarHBondContact O-N 3.21Å; S283-S285 PolarHBondContact OG-N 2.65Å; S283-S285 PolarHBondContact OG-OG 3.01Å; S285-R287 PolarHBondContact O-N 3.41Å; S285-K288 PolarHBondContact O-N 3.28Å; S285-L289 PolarHBondContact O-N 3.43Å
286G81.7Confident73.4Confident12 Ų1293.9 Ų93.912%0.12447%0.471CS..Hα-helixtrans-60.3-42.5175.700000113S283 K288 L289 L290S283-G286 CarbonylContact O-C 3.26Å; S283-G286 WeakPolarHBondContact O-CA 3.34Å; S283-G286 PolarHBondContact O-N 3.36Å; G286-K288 PolarHBondContact O-N 3.05Å; G286-L289 PolarHBondContact O-N 3.47Å; G286-L290 WeakPolarHBondContact O-CB 3.23Å; G286-L290 PolarHBondContact O-N 3.06Å
287R79.4Confident75.3Confident133 Ų13391.2 Ų91.250%0.50246%0.463SS..Hα-helixtrans-62.1-41.3173.8-86.1-178.9-91.1174.9-8112.9L282 S283 S285 L289 L290 D291L282-R287 HydrophobicContact CB-CG 3.86Å; L282-R287 PolarHBondContact O-NE 2.98Å; L282-R287 PolarHBondContact O-NH2 2.89Å; S283-R287 PolarHBondContact O-N 3.48Å; S285-R287 PolarHBondContact O-N 3.41Å; R287-L289 VanDerWaalsContact C-N 3.34Å; R287-L290 PolarHBondContact O-N 3.35Å; R287-D291 WeakPolarHBondContact O-CB 3.44Å; R287-D291 PolarHBondContact O-N 2.95Å
288K81.9Confident77.2Confident147 Ų14792.4 Ų92.464%0.63946%0.46SS*.Hα-helixtrans-64.7-38.4174-75.3173.6-179.5-176.80111.9P284 S285 G286 L292P284-K288 WeakPolarHBondContact O-CD 3.45Å; P284-K288 VanDerWaalsContact O-CG 3.26Å; P284-K288 WeakPolarHBondContact O-CG 3.5Å; P284-K288 PolarHBondContact O-N 3.41Å; S285-K288 PolarHBondContact O-N 3.28Å; G286-K288 PolarHBondContact O-N 3.05Å; K288-L292 VanDerWaalsContact O-CG 3.29Å; K288-L292 WeakPolarHBondContact O-CG 3.48Å; K288-L292 PolarHBondContact O-N 3.1Å
289L83.5Confident79.1Confident85 Ų8590.5 Ų90.545%0.44545%0.449SS..Hα-helixtrans-68.6-41.5177.6-176.853.5000111.8F208 S285 G286 R287 L292 C293F208-L289 HydrophobicContact CE1-CD2 4.49Å; F208-L289 HydrophobicContact CE2-CD2 4.11Å; F208-L289 HydrophobicContact CE2-CG 4.03Å; F208-L289 HydrophobicContact CZ-CD2 3.55Å; F208-L289 HydrophobicContact CZ-CG 3.91Å; S285-L289 PolarHBondContact O-N 3.43Å; G286-L289 PolarHBondContact O-N 3.47Å; R287-L289 VanDerWaalsContact C-N 3.34Å; L289-L292 WeakPolarHBondContact O-CB 3.44Å; L289-L292 PolarHBondContact O-N 3.16Å; L289-C293 PolarHBondContact O-N 3.27Å; L289-C293 PolarHBondContact O-SG 3.09Å
290L84.8Confident81.3Confident37 Ų3785 Ų8519%0.19442%0.42CS..Hα-helixtrans-62.9-41.9174.3-178.958.7000112.3I205 F208 L282 G286 R287 C293 H294I205-L290 HydrophobicContact CG1-CD1 4.43Å; I205-L290 HydrophobicContact CG2-CD1 4.49Å; F208-L290 HydrophobicContact CB-CD1 3.95Å; F208-L290 HydrophobicContact CD2-CD1 4.36Å; F208-L290 HydrophobicContact CG-CD1 4.46Å; L282-L290 HydrophobicContact CD2-CB 4.43Å; L282-L290 HydrophobicContact CD2-CD2 4.09Å; G286-L290 WeakPolarHBondContact O-CB 3.23Å; G286-L290 PolarHBondContact O-N 3.06Å; R287-L290 PolarHBondContact O-N 3.35Å; L290-C293 WeakPolarHBondContact O-CB 3.47Å; L290-C293 PolarHBondContact O-N 3.28Å; L290-H294 PolarHBondContact O-CD2 2.99Å; L290-H294 PolarHBondContact O-N 3.5Å
291D86.6Confident83.1Confident111 Ų11185.8 Ų85.859%0.59442%0.422SS*.Hα-helixtrans-61.4-42.4174-175.150.1000112R287 C293 H294 R295R287-D291 WeakPolarHBondContact O-CB 3.44Å; R287-D291 PolarHBondContact O-N 2.95Å; D291-C293 PolarHBondContact O-N 3.21Å; D291-H294 PolarHBondContact O-N 2.95Å; D291-R295 WeakPolarHBondContact O-CB 3.44Å; D291-R295 PolarHBondContact O-N 3.11Å
292L87.9Confident84.6Confident106 Ų10686.4 Ų86.456%0.55542%0.421SS*.Hα-helixtrans-61.8-40.9172.1-71.1169.2000112.3K288 L289 R295 L296K288-L292 VanDerWaalsContact O-CG 3.29Å; K288-L292 WeakPolarHBondContact O-CG 3.48Å; K288-L292 PolarHBondContact O-N 3.1Å; L289-L292 WeakPolarHBondContact O-CB 3.44Å; L289-L292 PolarHBondContact O-N 3.16Å; L292-R295 PolarHBondContact O-N 3.28Å; L292-L296 WeakPolarHBondContact O-CB 3.28Å; L292-L296 PolarHBondContact O-N 3.05Å
293C88.5Confident85.6Confident11 Ų1187 Ų877%0.07443%0.427CS..Hα-helixtrans-64.2-44.4176.4-66.30000111.8I205 L289 L290 D291 R295 L296 A297I205-C293 HydrophobicContact CD1-CB 4.36Å; I205-C293 HydrophobicContact CG1-CB 3.88Å; L289-C293 PolarHBondContact O-N 3.27Å; L289-C293 PolarHBondContact O-SG 3.09Å; L290-C293 WeakPolarHBondContact O-CB 3.47Å; L290-C293 PolarHBondContact O-N 3.28Å; D291-C293 PolarHBondContact O-N 3.21Å; C293-R295 PolarHBondContact O-N 3.24Å; C293-L296 PolarHBondContact O-N 3.06Å; C293-A297 WeakPolarHBondContact O-CB 3.47Å; C293-A297 PolarHBondContact O-N 3.17Å
294H90.9Very high86Confident97 Ų9786.3 Ų86.345%0.44942%0.416SS..Hα-helixtrans-62.9-40.9175.3-75.4-47.5000112.6L290 D291 A297 F298L290-H294 PolarHBondContact O-CD2 2.99Å; L290-H294 PolarHBondContact O-N 3.5Å; D291-H294 PolarHBondContact O-N 2.95Å; H294-A297 PolarHBondContact O-N 2.98Å; H294-F298 PolarHBondContact O-N 3.46Å
295R91.4Very high86.7Confident174 Ų17486.6 Ų86.666%0.65741%0.413SS*.Hα-helixtrans-61.8-45.3174.9-173.2179-178.5122.21.1111.7D291 L292 C293 F298 D299D291-R295 WeakPolarHBondContact O-CB 3.44Å; D291-R295 PolarHBondContact O-N 3.11Å; L292-R295 PolarHBondContact O-N 3.28Å; C293-R295 PolarHBondContact O-N 3.24Å; R295-F298 WeakPolarHBondContact O-CB 3.42Å; R295-F298 PolarHBondContact O-N 3.45Å; R295-D299 PolarHBondContact O-N 3.31Å
296L90.3Very high87.4Confident93 Ų9388.2 Ų88.249%0.48741%0.41SS..Hα-helixtrans-64.3-40.9178.1-168.362.9000111.8I201 L292 C293 F298 D299 I300I201-L296 HydrophobicContact CD1-CB 4.19Å; I201-L296 HydrophobicContact CD1-CD2 3.46Å; I201-L296 VanDerWaalsContact CD1-CD2 3.46Å; I201-L296 HydrophobicContact CD1-CG 3.53Å; I201-L296 HydrophobicContact CG1-CD2 3.99Å; I201-L296 HydrophobicContact CG1-CG 4.46Å; L292-L296 WeakPolarHBondContact O-CB 3.28Å; L292-L296 PolarHBondContact O-N 3.05Å; C293-L296 PolarHBondContact O-N 3.06Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 2.96Å; L296-D299 PolarHBondContact O-N 3.05Å; L296-I300 HydrophobicContact CG-CD1 4.41Å; L296-I300 WeakPolarHBondContact O-CG1 3.22Å; L296-I300 PolarHBondContact O-N 3Å
297A90Very high87.5Confident22 Ų2288.7 Ų88.718%0.18241%0.41CS..Hα-helixtrans-60-38.7173.400000112.6I201 I205 C293 H294 R301I201-A297 HydrophobicContact CG2-CB 3.89Å; I205-A297 HydrophobicContact CD1-CB 4.32Å; C293-A297 WeakPolarHBondContact O-CB 3.47Å; C293-A297 PolarHBondContact O-N 3.17Å; H294-A297 PolarHBondContact O-N 2.98Å; A297-R301 WeakPolarHBondContact O-CB 3.49Å; A297-R301 PolarHBondContact O-N 3.28Å
298F90.9Very high87.7Confident112 Ų11288.8 Ų88.849%0.49141%0.41SS..Hα-helixtrans-65.7-45.6175.5-179.2-92.3000112.1H294 R295 L296 I300 R301 R302H294-F298 PolarHBondContact O-N 3.46Å; R295-F298 WeakPolarHBondContact O-CB 3.42Å; R295-F298 PolarHBondContact O-N 3.45Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 2.96Å; F298-I300 VanDerWaalsContact C-N 3.34Å; F298-I300 PolarHBondContact O-N 3.04Å; F298-R301 PolarHBondContact O-N 3.11Å; F298-R302 WeakPolarHBondContact O-CB 3.49Å; F298-R302 PolarHBondContact O-N 2.96Å
299D91.5Very high87.7Confident63 Ų6385.9 Ų85.934%0.33740%0.4SS..Hα-helixtrans-66.5-34.2179.8-77.7-37.3000112.6R295 L296 R302 T303R295-D299 PolarHBondContact O-N 3.31Å; L296-D299 PolarHBondContact O-N 3.05Å; D299-R302 WeakPolarHBondContact O-CB 3.46Å; D299-R302 PolarHBondContact O-N 3.46Å; D299-T303 WeakPolarHBondContact O-CB 3.44Å; D299-T303 PolarHBondContact O-N 3.15Å; D299-T303 PolarHBondContact O-OG1 3.36Å
300I90.2Very high87.5Confident21 Ų2187.3 Ų87.311%0.10841%0.408CS..Hα-helixtrans-67-46.9171.7-67.2169.1000111.1I194 A197 E198 I201 L296 F298 R302 T303 K304I194-I300 HydrophobicContact CG2-CG2 3.91Å; A197-I300 HydrophobicContact CB-CD1 3.74Å; E198-I300 HydrophobicContact CG-CG2 3.49Å; E198-I300 VanDerWaalsContact CG-CG2 3.49Å; I201-I300 HydrophobicContact CD1-CD1 3.19Å; L296-I300 HydrophobicContact CG-CD1 4.41Å; L296-I300 WeakPolarHBondContact O-CG1 3.22Å; L296-I300 PolarHBondContact O-N 3Å; F298-I300 VanDerWaalsContact C-N 3.34Å; F298-I300 PolarHBondContact O-N 3.04Å; I300-R302 VanDerWaalsContact C-N 3.25Å; I300-R302 PolarHBondContact O-N 3.09Å; I300-T303 CarbonylContact O-C 3.58Å; I300-T303 WeakPolarHBondContact O-CA 3.45Å; I300-T303 WeakPolarHBondContact O-CB 3.45Å; I300-T303 PolarHBondContact O-N 3.11Å; I300-K304 WeakPolarHBondContact O-CB 3.42Å; I300-K304 PolarHBondContact O-N 3.45Å
301R87.3Confident87.2Confident175 Ų17588.5 Ų88.566%0.6641%0.413SS*.Hα-helixtrans-57.5-39.7175.8-172.6-179.2-63.2176.51.5111.8A297 F298 N305A297-R301 WeakPolarHBondContact O-CB 3.49Å; A297-R301 PolarHBondContact O-N 3.28Å; F298-R301 PolarHBondContact O-N 3.11Å; R301-N305 PolarHBondContact O-N 3.2Å
302R88.6Confident87Confident127 Ų12790.2 Ų90.248%0.47942%0.415SS..Hα-helixtrans-62.7-42.2174.2-170.4-179.9-172.3-159.13.3111.7F298 D299 I300 N305 K306F298-R302 WeakPolarHBondContact O-CB 3.49Å; F298-R302 PolarHBondContact O-N 2.96Å; D299-R302 WeakPolarHBondContact O-CB 3.46Å; D299-R302 PolarHBondContact O-N 3.46Å; I300-R302 VanDerWaalsContact C-N 3.25Å; I300-R302 PolarHBondContact O-N 3.09Å; R302-N305 PolarHBondContact O-N 2.9Å; R302-K306 WeakPolarHBondContact O-CG 3.46Å; R302-K306 PolarHBondContact O-N 3.46Å; R302-K306 VanDerWaalsContact O-N 3.11Å
303T88.7Confident86.2Confident67 Ų6790 Ų9041%0.41141%0.412SS..Hα-helixtrans-68.1-44.2178.1-570000111.7I194 D299 I300 N305 K306 L307I194-T303 HydrophobicContact CD1-CG2 3.94Å; D299-T303 WeakPolarHBondContact O-CB 3.44Å; D299-T303 PolarHBondContact O-N 3.15Å; D299-T303 PolarHBondContact O-OG1 3.36Å; I300-T303 CarbonylContact O-C 3.58Å; I300-T303 WeakPolarHBondContact O-CA 3.45Å; I300-T303 WeakPolarHBondContact O-CB 3.45Å; I300-T303 PolarHBondContact O-N 3.11Å; T303-N305 VanDerWaalsContact C-N 3.31Å; T303-N305 PolarHBondContact O-N 3.23Å; T303-K306 WeakPolarHBondContact O-CB 3.5Å; T303-K306 PolarHBondContact O-N 3.13Å; T303-K306 VanDerWaalsContact O-N 3.15Å; T303-L307 PolarHBondContact O-N 3.01Å
304K86.2Confident85.2Confident49 Ų4993.7 Ų93.721%0.21342%0.424CS..Hα-helixtrans-58.4-39.3173.5-166.1168.3-171.3171.90112.4I194 E198 I300 L307 R308I194-K304 HydrophobicContact CG2-CB 4.09Å; I194-K304 HydrophobicContact CG2-CD 4.02Å; I194-K304 HydrophobicContact CG2-CG 4.17Å; E198-K304 WeakPolarHBondContact OE1-CD 3.37Å; E198-K304 IonicContact OE1-NZ 2.66Å; E198-K304 PolarHBondContact OE1-NZ 3.04Å; E198-K304 IonicContact OE2-NZ 3.62Å; E198-K304 PolarHBondContact OE2-NZ 2.83Å; I300-K304 WeakPolarHBondContact O-CB 3.42Å; I300-K304 PolarHBondContact O-N 3.45Å; K304-L307 PolarHBondContact O-N 3.14Å; K304-R308 WeakPolarHBondContact O-CG 3.42Å; K304-R308 PolarHBondContact O-N 2.88Å
305N87.6Confident84.2Confident97 Ų9792.7 Ų92.752%0.51943%0.426SS..Hα-helixtrans-67.7-41.6175-166.630.9000112.5R301 R302 T303 L307 R308 I309R301-N305 PolarHBondContact O-N 3.2Å; R302-N305 PolarHBondContact O-N 2.9Å; T303-N305 VanDerWaalsContact C-N 3.31Å; T303-N305 PolarHBondContact O-N 3.23Å; N305-L307 VanDerWaalsContact C-N 3.34Å; N305-L307 PolarHBondContact O-N 3.49Å; N305-R308 PolarHBondContact O-N 3.24Å; N305-I309 WeakPolarHBondContact O-CG1 3.38Å; N305-I309 PolarHBondContact O-N 3.27Å
306K87.4Confident82.4Confident114 Ų11492.5 Ų92.550%0.49643%0.425SS..Hα-helixtrans-58.3-45.5172.9-71174179.8177.70111.3R302 T303 R308 I309 L310R302-K306 WeakPolarHBondContact O-CG 3.46Å; R302-K306 PolarHBondContact O-N 3.46Å; R302-K306 VanDerWaalsContact O-N 3.11Å; T303-K306 WeakPolarHBondContact O-CB 3.5Å; T303-K306 PolarHBondContact O-N 3.13Å; T303-K306 VanDerWaalsContact O-N 3.15Å; K306-R308 PolarHBondContact O-N 3.36Å; K306-I309 WeakPolarHBondContact O-CB 3.44Å; K306-I309 PolarHBondContact O-N 3.48Å; K306-I309 VanDerWaalsContact O-N 3.13Å; K306-L310 WeakPolarHBondContact O-CG 3.46Å; K306-L310 PolarHBondContact O-N 3.01Å
307L83.6Confident80.7Confident21 Ų2194.4 Ų94.411%0.1143%0.431CS..Hα-helixtrans-62-44179-17155.8000112A190 E191 I194 T303 K304 N305 I309 L310 Q311A190-L307 HydrophobicContact CB-CD2 4.28Å; E191-L307 HydrophobicContact CB-CD2 4.47Å; E191-L307 HydrophobicContact CG-CD2 3.58Å; E191-L307 HydrophobicContact CG-CG 4.4Å; I194-L307 HydrophobicContact CD1-CD2 3.93Å; T303-L307 PolarHBondContact O-N 3.01Å; K304-L307 PolarHBondContact O-N 3.14Å; N305-L307 VanDerWaalsContact C-N 3.34Å; N305-L307 PolarHBondContact O-N 3.49Å; L307-I309 VanDerWaalsContact C-N 3.3Å; L307-I309 PolarHBondContact O-N 2.98Å; L307-L310 WeakPolarHBondContact O-CB 3.36Å; L307-L310 PolarHBondContact O-N 3.46Å; L307-L310 VanDerWaalsContact O-N 3.17Å; L307-Q311 WeakPolarHBondContact O-CG 3.38Å; L307-Q311 PolarHBondContact O-N 2.89Å
308R83.2Confident79.1Confident136 Ų13696.2 Ų96.251%0.51344%0.442SS..Hα-helixtrans-60-35.2172.3-75.1175.1171.6-179.2-3.1113.5K304 N305 K306 K312K304-R308 WeakPolarHBondContact O-CG 3.42Å; K304-R308 PolarHBondContact O-N 2.88Å; N305-R308 PolarHBondContact O-N 3.24Å; K306-R308 PolarHBondContact O-N 3.36Å; R308-K312 WeakPolarHBondContact O-CB 3.45Å; R308-K312 WeakPolarHBondContact O-CG 3.3Å; R308-K312 PolarHBondContact O-N 3.27Å
309I83.7Confident77Confident85 Ų8596 Ų9644%0.43645%0.446SS..Hα-helixtrans-69.8-41.7175.3-68.3163.5000110.6N305 K306 L307 K312 M313N305-I309 WeakPolarHBondContact O-CG1 3.38Å; N305-I309 PolarHBondContact O-N 3.27Å; K306-I309 WeakPolarHBondContact O-CB 3.44Å; K306-I309 PolarHBondContact O-N 3.48Å; K306-I309 VanDerWaalsContact O-N 3.13Å; L307-I309 VanDerWaalsContact C-N 3.3Å; L307-I309 PolarHBondContact O-N 2.98Å; I309-K312 PolarHBondContact O-N 3.06Å; I309-M313 WeakPolarHBondContact O-CG 3.39Å; I309-M313 PolarHBondContact O-N 3.12Å
310L79.4Confident74.9Confident116 Ų11699.8 Ų99.861%0.60746%0.462SS*.Hα-helixtrans-61.2-45.2175.4-68.2170.2000111.4K306 L307 K312 M313 R314K306-L310 WeakPolarHBondContact O-CG 3.46Å; K306-L310 PolarHBondContact O-N 3.01Å; L307-L310 WeakPolarHBondContact O-CB 3.36Å; L307-L310 PolarHBondContact O-N 3.46Å; L307-L310 VanDerWaalsContact O-N 3.17Å; L310-K312 PolarHBondContact O-N 3.33Å; L310-M313 PolarHBondContact O-N 3.2Å; L310-M313 VanDerWaalsContact O-N 3.12Å; L310-R314 PolarHBondContact O-N 3.41Å
311Q77.9Confident72.5Confident62 Ų62105.9 Ų105.929%0.2949%0.49SS..Hα-helixtrans-58.6-45.2172.7-70.7169.2-26.200112.4E191 L307 M313 R314 T315E191-Q311 PolarHBondContact OE1-NE2 3.28Å; L307-Q311 WeakPolarHBondContact O-CG 3.38Å; L307-Q311 PolarHBondContact O-N 2.89Å; Q311-M313 VanDerWaalsContact C-N 3.27Å; Q311-M313 PolarHBondContact O-N 2.94Å; Q311-R314 WeakPolarHBondContact O-CB 3.04Å; Q311-R314 PolarHBondContact O-N 2.95Å; Q311-R314 VanDerWaalsContact O-N 3.11Å; Q311-T315 PolarHBondContact O-N 2.88Å; Q311-T315 PolarHBondContact O-OG1 3.26Å
312K81.6Confident70.2Confident147 Ų147104.7 Ų104.764%0.63949%0.491SS*.Hα-helixtrans-65-25.8175.1-77.5178.2177.8-178.50113.8R308 I309 L310 T315 R316R308-K312 WeakPolarHBondContact O-CB 3.45Å; R308-K312 WeakPolarHBondContact O-CG 3.3Å; R308-K312 PolarHBondContact O-N 3.27Å; I309-K312 PolarHBondContact O-N 3.06Å; L310-K312 PolarHBondContact O-N 3.33Å; K312-T315 PolarHBondContact O-OG1 3.09Å; K312-R316 WeakPolarHBondContact O-CD 3.42Å; K312-R316 WeakPolarHBondContact O-CG 3.28Å
313M71.3Confident67.5Low102 Ų102108.6 Ų108.650%0.50251%0.508SS..Hα-helixtrans-76.2-38.5170.4-70.2-62.5-155.500111I309 L310 Q311 R316 Q317I309-M313 WeakPolarHBondContact O-CG 3.39Å; I309-M313 PolarHBondContact O-N 3.12Å; L310-M313 PolarHBondContact O-N 3.2Å; L310-M313 VanDerWaalsContact O-N 3.12Å; Q311-M313 VanDerWaalsContact C-N 3.27Å; Q311-M313 PolarHBondContact O-N 2.94Å; M313-R316 WeakPolarHBondContact O-CB 3.45Å; M313-R316 PolarHBondContact O-N 3.36Å; M313-Q317 PolarHBondContact O-N 3.16Å
314R67.8Low64.8Low87 Ų87112 Ų11233%0.32852%0.524SS..Hα-helixtrans-63.4-46.2178.2-168.9175.7-175.1157.94.8112.9S180 D183 L310 Q311 R316 Q317 S318S180-R314 PolarHBondContact O-NH2 3.4Å; D183-R314 VanDerWaalsContact C-NH1 3.29Å; D183-R314 PolarHBondContact O-NH1 3.38Å; L310-R314 PolarHBondContact O-N 3.41Å; Q311-R314 WeakPolarHBondContact O-CB 3.04Å; Q311-R314 PolarHBondContact O-N 2.95Å; Q311-R314 VanDerWaalsContact O-N 3.11Å; R314-R316 PolarHBondContact O-N 2.95Å; R314-R316 VanDerWaalsContact O-N 3.16Å; R314-Q317 PolarHBondContact O-N 3.21Å; R314-S318 PolarHBondContact O-N 3.04Å
315T69.3Low62.1Low77 Ų77115.3 Ų115.347%0.47255%0.547SS..Hα-helixtrans-64.8-17.4175.757.10000113.4Q311 K312 S318 N319Q311-T315 PolarHBondContact O-N 2.88Å; Q311-T315 PolarHBondContact O-OG1 3.26Å; K312-T315 PolarHBondContact O-OG1 3.09Å; T315-S318 PolarHBondContact O-OG 2.85Å; T315-N319 WeakPolarHBondContact O-CB 3.46Å; T315-N319 PolarHBondContact O-ND2 3.15Å
316R53.8Low59.1Low170 Ų170121.2 Ų121.264%0.64256%0.562SS**Hα-helixtrans-84.1-23.2171.5-64.3169.497.6-177.610.7112.7K312 M313 R314 Q320K312-R316 WeakPolarHBondContact O-CD 3.42Å; K312-R316 WeakPolarHBondContact O-CG 3.28Å; M313-R316 WeakPolarHBondContact O-CB 3.45Å; M313-R316 PolarHBondContact O-N 3.36Å; R314-R316 PolarHBondContact O-N 2.95Å; R314-R316 VanDerWaalsContact O-N 3.16Å; R316-Q320 WeakPolarHBondContact O-CG 3.49Å
317Q55.9Low56.3Low132 Ų132122.8 Ų122.862%0.61758%0.575SS**Hα-helixtrans-81.5-44.7174-67.7-175.6600111.7M313 R314 N319 Q320 H321M313-Q317 PolarHBondContact O-N 3.16Å; R314-Q317 PolarHBondContact O-N 3.21Å; Q317-N319 VanDerWaalsContact C-N 3.3Å; Q317-N319 PolarHBondContact O-N 3.44Å; Q317-Q320 WeakPolarHBondContact O-CB 3.5Å; Q317-Q320 PolarHBondContact O-N 3.47Å; Q317-H321 PolarHBondContact O-N 3.12Å
318S54.7Low53.7Low60 Ų60127.1 Ų127.142%0.4260%0.602SS.*Hα-helixtrans-59.5-41.1177.261.10000112.4R314 T315 Q320 H321 H322R314-S318 PolarHBondContact O-N 3.04Å; T315-S318 PolarHBondContact O-OG 2.85Å; S318-Q320 VanDerWaalsContact C-N 3.25Å; S318-Q320 PolarHBondContact O-N 3.4Å; S318-H321 PolarHBondContact O-N 2.89Å; S318-H322 PolarHBondContact O-N 3.27Å; S318-H322 PolarHBondContact O-ND1 2.94Å
319N48.1Very low50.9Low107 Ų107125.7 Ų125.757%0.57261%0.613SS**Hα-helixtrans-69.4-14.7174.8-78.8-39.6000114.4T315 Q317T315-N319 WeakPolarHBondContact O-CB 3.46Å; T315-N319 PolarHBondContact O-ND2 3.15Å; Q317-N319 VanDerWaalsContact C-N 3.3Å; Q317-N319 PolarHBondContact O-N 3.44Å
320Q46.3Very low48.3Very low144 Ų144127.6 Ų127.667%0.67363%0.628SS**Hα-helixtrans-82.7-32.9170.2-78.7-177.51200112.1R316 Q317 S318R316-Q320 WeakPolarHBondContact O-CG 3.49Å; Q317-Q320 WeakPolarHBondContact O-CB 3.5Å; Q317-Q320 PolarHBondContact O-N 3.47Å; S318-Q320 VanDerWaalsContact C-N 3.25Å; S318-Q320 PolarHBondContact O-N 3.4Å
321H40.6Very low45.7Very low148 Ų148128.5 Ų128.569%0.68563%0.634SS**Hα-helixtrans-71-37174.2-83-91.4000112.6Q317 S318 Y323 N324Q317-H321 PolarHBondContact O-N 3.12Å; S318-H321 PolarHBondContact O-N 2.89Å; H321-Y323 PolarHBondContact O-N 3.03Å; H321-Y323 VanDerWaalsContact O-N 3.11Å; H321-N324 PolarHBondContact O-N 3.21Å
322H38.5Very low43.3Very low150 Ų150131 Ų13169%0.69466%0.656SS**THydrogen-bonded Turntrans-65.3-11.7177.5-88.877.1000115.2S318S318-H322 PolarHBondContact O-N 3.27Å; S318-H322 PolarHBondContact O-ND1 2.94Å
323Y33Very low40.7Very low210 Ų210130.4 Ų130.482%0.82466%0.66SS**THydrogen-bonded Turntrans-86.7-1.4176.9-105.6-85.5000115H321H321-Y323 PolarHBondContact O-N 3.03Å; H321-Y323 VanDerWaalsContact O-N 3.11Å
324N31Very low38.7Very low139 Ų139132.5 Ų132.574%0.74368%0.678SS**SBendtrans-108.1-6.1-178.3-78.1-25.3000115.1H321 R326H321-N324 PolarHBondContact O-N 3.21Å; N324-R326 VanDerWaalsContact C-N 3.33Å; N324-R326 PolarHBondContact O-N 3.35Å
325V28.7Very low36.9Very low117 Ų117134.5 Ų134.571%0.70970%0.7SS**  trans-83.381.2173.5-173.20000109.4I327V325-I327 PolarHBondContact O-N 3.2Å; V325-I327 VanDerWaalsContact O-N 3.11Å
326R26.3Very low34.7Very low222 Ų222136.9 Ų136.984%0.83872%0.715SS**  trans-71.5102.5169.6-171-178.8-160.9174.25.1108.3N324 T328N324-R326 VanDerWaalsContact C-N 3.33Å; N324-R326 PolarHBondContact O-N 3.35Å; R326-T328 PolarHBondContact O-N 3.39Å
327I27Very low33.6Very low147 Ų147135.2 Ų135.275%0.75472%0.724SS**  trans-57.1100.6175.2-59.3168.7000109V325 S329V325-I327 PolarHBondContact O-N 3.2Å; V325-I327 VanDerWaalsContact O-N 3.11Å; I327-S329 PolarHBondContact O-N 3.27Å
328T29.4Very low32.1Very low112 Ų112135 Ų13569%0.68773%0.732SS**  trans-85.187.4164.246.70000107.6R326 T330R326-T328 PolarHBondContact O-N 3.39Å; T328-T330 VanDerWaalsContact C-N 3.29Å; T328-T330 PolarHBondContact O-N 3.14Å
329S25.5Very low30.9Very low105 Ų105139.2 Ų139.273%0.73475%0.75SS**  trans-68.586173.156.70000110I327 N331I327-S329 PolarHBondContact O-N 3.27Å; S329-N331 PolarHBondContact O-N 3.31Å
330T28.4Very low29.8Very low125 Ų125139.5 Ų139.577%0.76776%0.755SS**  trans-72.4117.2166.344.30000108.6T328 P332T328-T330 VanDerWaalsContact C-N 3.29Å; T328-T330 PolarHBondContact O-N 3.14Å; T330-P332 WeakPolarHBondContact O-CD 3.35Å
331N25.4Very low28.8Very low136 Ų136138.3 Ų138.373%0.72776%0.758SS**  trans-76.7117.5-168.3-160.613000111.3S329 N333S329-N331 PolarHBondContact O-N 3.31Å; N331-N333 PolarHBondContact O-N 3.02Å
332P27.4Very low28.2Very low115 Ų115138.9 Ų138.975%0.74777%0.766SS**  trans-8984.9-17834.6-31.4000110.9T330T330-P332 WeakPolarHBondContact O-CD 3.35Å
333N26.2Very low27.4Very low134 Ų134139.4 Ų139.472%0.71777%0.772SS**  trans-133.979.4174.2-91.7-11.3000110.7N331N331-N333 PolarHBondContact O-N 3.02Å
334T30.5Very low27.1Very low146 Ų146134.8 Ų134.890%0.89677%0.771SS**  trans-142119158.435.10000109.5
335T28.6Very low26.7Very low129 Ų129133.1 Ų133.179%0.79177%0.766SS**  trans-70.8152.2-171.9-34.40000112.1T337T335-T337 PolarHBondContact O-N 2.64Å
336T24.6Very low26.6Very low126 Ų126135.9 Ų135.977%0.77377%0.771SS**  trans-42.7128.4168.346.60000114.1
337T29Very low26.4Very low136 Ų136132.4 Ų132.483%0.83477%0.768SS**  trans-129.7107.5153500000108.4T335T335-T337 PolarHBondContact O-N 2.64Å
338T24.7Very low26.5Very low128 Ų128132.3 Ų132.379%0.78578%0.775SS**  trans-74.7124.8169.246.70000109.6
339D29.3Very low26.3Very low148 Ų148132.6 Ų132.679%0.79178%0.777SS**  trans-155.497.7157.6-89-36.4000109.8
340T26.6Very low26.3Very low113 Ų113134.4 Ų134.469%0.69378%0.778SS**  32.7117.2127.360.70000120.4
341T24.5Very low26.4Very low119 Ų119136.5 Ų136.573%0.7379%0.785SS**  trans43113.6132.7620000119.3
342N28.7Very low26.4Very low159 Ų159136.7 Ų136.785%0.8579%0.791SS**  -172.1150.7103.7-97.6-39.1000114.4
343I21.3Very low26.2Very low162 Ų162139.1 Ų139.183%0.83180%0.797SS**  trans-76.8133.8177-63.3153.2000109.7
344S26.6Very low26.2Very low113 Ų113138.2 Ų138.279%0.7980%0.8SS**  trans-162.6117.3149.8-169.50000112.3
345T22.7Very low25.9Very low103 Ų103138.9 Ų138.963%0.63280%0.799SS**  trans-68.5142.6163.546.80000111
346H26.5Very low25.5Very low176 Ų176142.4 Ų142.482%0.81580%0.803SS**  174.4147.7120.3-91.7-58.6000114.1
347N21.5Very low25.5Very low148 Ų148144.7 Ų144.779%0.79181%0.805SS**  trans-51143.1174.8-58.5-39.8000114.6
348T28.6Very low25.5Very low145 Ų145145.6 Ų145.689%0.8981%0.805SS**  -155.4138.4128.8-9.40000111.9
349T25Very low25.3Very low119 Ų119149.7 Ų149.773%0.7381%0.812SS**  trans-99162.4178.844.10000111.8
350N27Very low24.8Very low142 Ų142149.9 Ų149.976%0.75981%0.813SS**  trans67.4104158.7-56.7-28.5000118.6
351N30.5Very low24.7Very low169 Ų169151.6 Ų151.690%0.90482%0.817SS**  trans-148.6100.2137.3-113.1-32.5000111
352V24.3Very low24.7Very low141 Ų141152.5 Ų152.586%0.85582%0.817SS**  trans-114.990.5171.7178.20000108.5
353L22.7Very low24.4Very low166 Ų166150.7 Ų150.787%0.86981%0.807SS**  trans-164.9108.5153.7-149.569.6000112.8
354S27Very low24.5Very low114 Ų114152 Ų15280%0.79781%0.807SS**  trans167.470.2146.642.60000111.6
355N24.2Very low24.5Very low161 Ų161152.1 Ų152.186%0.86181%0.808SS**  trans-142.556.9170.1-102.4-32.9000111.7
356F20.4Very low24.5Very low202 Ų202155.5 Ų155.589%0.88682%0.822SS**  trans-15083.5167.1-85.5-70.9000110.7
357Q24.3Very low24.4Very low174 Ų174152 Ų15281%0.81382%0.818SS**SBendtrans-170.4159.1143.2-139.771.8-37.100108.1
358N28.3Very low24.8Very low155 Ų155153.2 Ų153.283%0.82982%0.823SS**  trans77.847.5175.2-51.1-16.5000117
359F20.2Very low24.4Very low214 Ų214153.9 Ų153.994%0.93982%0.821SS**  trans-106.363.9157.9-122.2-71.1000110.7
360L20.5Very low24.4Very low153 Ų153155.8 Ų155.880%0.80183%0.827SS**  trans-149.6146.3167.9-77.9-176.1000110.5
361N24.8Very low24.4Very low148 Ų148155 Ų15579%0.79183%0.832SS**  trans74.2138.6-179.7-50.8-22.9000114.4
362L23.2Very low24.3Very low139 Ų139153.5 Ų153.573%0.72882%0.823SS**  cis-156.9160.3-11.2-146.470.7000109.8
363D23.7Very low24.4Very low120 Ų120156.6 Ų156.664%0.64283%0.825SS**  trans36.9109.6152.9-67.3-33.7000123.2
364K23.3Very low24.6Very low191 Ų191154.5 Ų154.583%0.8381%0.813SS**  22.3116.9119.1-63.1170.6-176.3159.30118.4
365S26.4Very low25.2Very low115 Ų115153.4 Ų153.480%0.80481%0.805SS**  trans-143.666.8150.365.70000111.9S367S365-S367 PolarHBondContact O-N 3.42Å; S365-S367 VanDerWaalsContact O-N 3.08Å
366D23Very low26Very low174 Ų174153.8 Ų153.893%0.9380%0.802SS**  trans-73.295.4169.4-82-38.4000110.3
367S24.5Very low27.1Very low103 Ų103149.6 Ų149.672%0.7279%0.789SS**  trans-127.1106.6172.2150.50000108.8S365S365-S367 PolarHBondContact O-N 3.42Å; S365-S367 VanDerWaalsContact O-N 3.08Å
368L28.2Very low28.1Very low173 Ų173146.1 Ų146.191%0.90678%0.776SS**  trans176.861.2148.6-96164.1000110.5
369N21.9Very low28.6Very low159 Ų159148.7 Ų148.785%0.8577%0.774SS**  trans-86.5103.3161.2-97.1-40.4000108.3
370N23.5Very low29.6Very low158 Ų158147.1 Ų147.185%0.84576%0.762SS**  trans172.1100.2144.3-89.9-23.3000111.2
371S26.6Very low30.9Very low125 Ų125144.1 Ų144.187%0.87475%0.747SS**  trans-141.1144.3144.583.70000110.1
372I28.4Very low32.5Very low139 Ų139140 Ų14071%0.71373%0.733SS**  trans-98.1156-156.4-75.5167.5000111.5I374I372-I374 VanDerWaalsContact C-N 3.35Å; I372-I374 HydrophobicContact CG2-CD1 4.31Å; I372-I374 PolarHBondContact O-N 3.37Å
373K27Very low33.8Very low206 Ų206139.4 Ų139.490%0.89673%0.725SS**  trans-53.483.9173.6-58.8169.3-178.3170.20113.2
374I26.4Very low35.1Very low121 Ų121137.3 Ų137.362%0.62171%0.713SS**  trans-123104.3158.2-68.3113.9000107.3I372I372-I374 VanDerWaalsContact C-N 3.35Å; I372-I374 HydrophobicContact CG2-CD1 4.31Å; I372-I374 PolarHBondContact O-N 3.37Å
375S40.5Very low36.1Very low91 Ų91134 Ų13464%0.63670%0.7SS**SBendtrans-161.8-37.3179.1178.30000112.9
376Q41.3Very low37.2Very low170 Ų170135.3 Ų135.379%0.79469%0.688SS**Hα-helixtrans-76.7-40.9-178.6-71.7-173.2-30.400113R379 R380Q376-R379 PolarHBondContact O-N 2.91Å; Q376-R379 VanDerWaalsContact O-N 3.14Å; Q376-R380 PolarHBondContact O-N 2.84Å
377D42.6Very low37.8Very low113 Ų113131.3 Ų131.360%0.60467%0.666SS**Hα-helixtrans-67.7-37.7179.1-62.6-43.5000112.4R379 R380 N381D377-R379 PolarHBondContact O-N 2.96Å; D377-R380 PolarHBondContact O-N 3.5Å; D377-R380 VanDerWaalsContact O-N 3.13Å; D377-N381 WeakPolarHBondContact O-CB 3.44Å; D377-N381 PolarHBondContact O-N 3.44Å
378N45Very low38.6Very low101 Ų101131.8 Ų131.854%0.5466%0.657SS.*Hα-helixtrans-58.5-33.2172.6-76.25.1000112.2A382N378-A382 WeakPolarHBondContact O-CB 3.42Å; N378-A382 PolarHBondContact O-N 3.21Å
379R38.9Very low39.2Very low209 Ų209127.1 Ų127.179%0.78963%0.633SS**Hα-helixtrans-74.5-33.5178.4-156.3176.9-166.1178.15.4112.7Q376 D377 F383Q376-R379 PolarHBondContact O-N 2.91Å; Q376-R379 VanDerWaalsContact O-N 3.14Å; D377-R379 PolarHBondContact O-N 2.96Å; R379-F383 PolarHBondContact O-N 3.3Å
380R43.1Very low39.9Very low182 Ų182123.5 Ų123.569%0.68761%0.613SS**Hα-helixtrans-74.9-42.4175.7-165.7174.3-171.1155.22.4111.3Q376 D377 F383 I384Q376-R380 PolarHBondContact O-N 2.84Å; D377-R380 PolarHBondContact O-N 3.5Å; D377-R380 VanDerWaalsContact O-N 3.13Å; R380-F383 PolarHBondContact O-N 3.43Å; R380-I384 HydrophobicContact CG-CD1 4.33Å; R380-I384 WeakPolarHBondContact O-CG1 3.48Å; R380-I384 PolarHBondContact O-N 2.9Å
381N47.5Very low40.4Very low90 Ų90120 Ų12048%0.48160%0.6SS.*Hα-helixtrans-67.8-39.4176.5-71-4.9000111.8D377 F383 I384 H385D377-N381 WeakPolarHBondContact O-CB 3.44Å; D377-N381 PolarHBondContact O-N 3.44Å; N381-F383 VanDerWaalsContact C-N 3.29Å; N381-F383 PolarHBondContact O-N 3.21Å; N381-I384 PolarHBondContact O-N 3.21Å; N381-H385 WeakPolarHBondContact O-CB 3.19Å; N381-H385 PolarHBondContact O-CD2 3.18Å; N381-H385 PolarHBondContact O-N 3.36Å
382A57.3Low40.8Very low60 Ų60123.4 Ų123.450%0.49659%0.594SS.*Hα-helixtrans-60.7-36.6172.500000112.6N378 Y386N378-A382 WeakPolarHBondContact O-CB 3.42Å; N378-A382 PolarHBondContact O-N 3.21Å; A382-Y386 VanDerWaalsContact O-CB 3.25Å; A382-Y386 WeakPolarHBondContact O-CB 3.43Å; A382-Y386 PolarHBondContact O-N 3.48Å
383F51.5Low40.9Very low127 Ų127123 Ų12356%0.55759%0.593SS**Hα-helixtrans-71.5-37.4176-173.1-102.4000112.8R379 R380 N381 Y386 L387R379-F383 PolarHBondContact O-N 3.3Å; R380-F383 PolarHBondContact O-N 3.43Å; N381-F383 VanDerWaalsContact C-N 3.29Å; N381-F383 PolarHBondContact O-N 3.21Å; F383-Y386 PolarHBondContact O-N 3.43Å; F383-L387 HydrophobicContact CD1-CD1 4.13Å; F383-L387 HydrophobicContact CE1-CD1 3.63Å; F383-L387 HydrophobicContact CE1-CG 4.25Å; F383-L387 HydrophobicContact CZ-CD1 4.13Å; F383-L387 HydrophobicContact CZ-CG 4.4Å; F383-L387 WeakPolarHBondContact O-CG 3.31Å; F383-L387 PolarHBondContact O-N 2.87Å; F383-L387 VanDerWaalsContact O-N 3.07Å
384I51.2Low40.9Very low77 Ų77123.4 Ų123.440%0.39559%0.591SS.*Hα-helixtrans-68.2-42174.8-68.7169.5000110.9R380 N381 L387 H388R380-I384 HydrophobicContact CG-CD1 4.33Å; R380-I384 WeakPolarHBondContact O-CG1 3.48Å; R380-I384 PolarHBondContact O-N 2.9Å; N381-I384 PolarHBondContact O-N 3.21Å; I384-L387 PolarHBondContact O-N 3.18Å; I384-H388 PolarHBondContact O-CD2 3.22Å; I384-H388 PolarHBondContact O-N 2.8Å
385H43.1Very low40.9Very low121 Ų121126 Ų12656%0.5660%0.6SS**Hα-helixtrans-60.3-47.9171.5-90.9-86.3000111.4N381 L387 H388 D389N381-H385 WeakPolarHBondContact O-CB 3.19Å; N381-H385 PolarHBondContact O-CD2 3.18Å; N381-H385 PolarHBondContact O-N 3.36Å; H385-L387 VanDerWaalsContact C-N 3.28Å; H385-L387 PolarHBondContact O-N 3.11Å; H385-H388 CarbonylContact O-C 3.46Å; H385-H388 WeakPolarHBondContact O-CA 3.38Å; H385-H388 PolarHBondContact O-N 2.74Å; H385-D389 PolarHBondContact O-N 3.12Å
386Y49Very low40.3Very low143 Ų143129.2 Ų129.256%0.56161%0.609SS**Hα-helixtrans-56.7-38.1177.3-176.6-105.7000113.4A382 F383 I390A382-Y386 VanDerWaalsContact O-CB 3.25Å; A382-Y386 WeakPolarHBondContact O-CB 3.43Å; A382-Y386 PolarHBondContact O-N 3.48Å; F383-Y386 PolarHBondContact O-N 3.43Å; Y386-I390 HydrophobicContact CD1-CD1 3.91Å; Y386-I390 HydrophobicContact CE1-CD1 3.45Å; Y386-I390 VanDerWaalsContact CE1-CD1 3.45Å; Y386-I390 HydrophobicContact CE1-CG1 4.47Å; Y386-I390 HydrophobicContact CE2-CD1 4.44Å; Y386-I390 WeakPolarHBondContact O-CG1 3.42Å; Y386-I390 PolarHBondContact O-N 2.82Å
387L36.9Very low39.5Very low90 Ų90126.8 Ų126.847%0.47161%0.607SS.*Hα-helixtrans-69.6-36.6173.3-71.6177.7000112.8F383 I384 H385 S391F383-L387 HydrophobicContact CD1-CD1 4.13Å; F383-L387 HydrophobicContact CE1-CD1 3.63Å; F383-L387 HydrophobicContact CE1-CG 4.25Å; F383-L387 HydrophobicContact CZ-CD1 4.13Å; F383-L387 HydrophobicContact CZ-CG 4.4Å; F383-L387 WeakPolarHBondContact O-CG 3.31Å; F383-L387 PolarHBondContact O-N 2.87Å; F383-L387 VanDerWaalsContact O-N 3.07Å; I384-L387 PolarHBondContact O-N 3.18Å; H385-L387 VanDerWaalsContact C-N 3.28Å; H385-L387 PolarHBondContact O-N 3.11Å; L387-S391 PolarHBondContact O-N 3.17Å
388H40.5Very low38.5Very low113 Ų113128.1 Ų128.152%0.52362%0.62SS.*Hα-helixtrans-70-34.5173.3-85.5-63.3000113.1I384 H385 S391 R392I384-H388 PolarHBondContact O-CD2 3.22Å; I384-H388 PolarHBondContact O-N 2.8Å; H385-H388 CarbonylContact O-C 3.46Å; H385-H388 WeakPolarHBondContact O-CA 3.38Å; H385-H388 PolarHBondContact O-N 2.74Å; H388-S391 WeakPolarHBondContact CA-OG 3.33Å; H388-S391 CarbonylContact O-C 3.58Å; H388-S391 PolarHBondContact O-N 2.92Å; H388-S391 VanDerWaalsContact O-N 3.14Å; H388-S391 PolarHBondContact O-OG 2.95Å; H388-R392 PolarHBondContact O-N 2.85Å
389D41.8Very low37.6Very low75 Ų75128 Ų12840%0.40163%0.627SS.*Hα-helixtrans-70.2-38.6177.3-61.5-26.5000110.6H385 S391 R392 N393H385-D389 PolarHBondContact O-N 3.12Å; D389-S391 VanDerWaalsContact C-N 3.26Å; D389-S391 PolarHBondContact O-N 2.93Å; D389-R392 PolarHBondContact O-N 2.92Å; D389-R392 VanDerWaalsContact O-N 3.08Å; D389-N393 WeakPolarHBondContact O-CB 3.31Å; D389-N393 VanDerWaalsContact O-CG 3.23Å; D389-N393 PolarHBondContact O-N 2.96Å; D389-N393 PolarHBondContact O-ND2 3.36Å
390I35.5Very low36.9Very low83 Ų83124.5 Ų124.543%0.42663%0.629SS.*Hα-helixtrans-59.4-37.3168.3-71.7169.2000111.3Y386 R392Y386-I390 HydrophobicContact CD1-CD1 3.91Å; Y386-I390 HydrophobicContact CE1-CD1 3.45Å; Y386-I390 VanDerWaalsContact CE1-CD1 3.45Å; Y386-I390 HydrophobicContact CE1-CG1 4.47Å; Y386-I390 HydrophobicContact CE2-CD1 4.44Å; Y386-I390 WeakPolarHBondContact O-CG1 3.42Å; Y386-I390 PolarHBondContact O-N 2.82Å; I390-R392 PolarHBondContact O-N 3.1Å
391S35.5Very low36Very low83 Ų83123.3 Ų123.358%0.5864%0.636SS**THydrogen-bonded Turntrans-73.3-9.5176.874.90000114.8L387 H388 D389L387-S391 PolarHBondContact O-N 3.17Å; H388-S391 WeakPolarHBondContact CA-OG 3.33Å; H388-S391 CarbonylContact O-C 3.58Å; H388-S391 PolarHBondContact O-N 2.92Å; H388-S391 VanDerWaalsContact O-N 3.14Å; H388-S391 PolarHBondContact O-OG 2.95Å; D389-S391 VanDerWaalsContact C-N 3.26Å; D389-S391 PolarHBondContact O-N 2.93Å
392R34.6Very low34.9Very low198 Ų198124.8 Ų124.875%0.74765%0.648SS**THydrogen-bonded Turntrans-108.6-23.2176.8-72.5-170179.1-143.70.3114.3H388 D389 I390 Y394H388-R392 PolarHBondContact O-N 2.85Å; D389-R392 PolarHBondContact O-N 2.92Å; D389-R392 VanDerWaalsContact O-N 3.08Å; I390-R392 PolarHBondContact O-N 3.1Å; R392-Y394 PolarHBondContact O-N 2.88Å
393N29.6Very low33.4Very low129 Ų129128.1 Ų128.169%0.6966%0.663SS**  trans-83.729.3-176-66.5-17.8000114.1D389D389-N393 WeakPolarHBondContact O-CB 3.31Å; D389-N393 VanDerWaalsContact O-CG 3.23Å; D389-N393 PolarHBondContact O-N 2.96Å; D389-N393 PolarHBondContact O-ND2 3.36Å
394Y27.3Very low32.1Very low215 Ų215128.5 Ų128.584%0.84368%0.675SS**  trans-112.636.2167-94.4-73.9000111.8R392R392-Y394 PolarHBondContact O-N 2.88Å
395E27.3Very low30.8Very low176 Ų176131.3 Ų131.382%0.82270%0.696SS**SBendtrans-127124.3159.6-97.5172-172.300109P397E395-P397 WeakPolarHBondContact O-CD 3.5Å
396I26.5Very low29.8Very low158 Ų158135.2 Ų135.281%0.8171%0.712SS**  trans-78.3121.4-172.8-65.9167.9000108.5T398I396-T398 PolarHBondContact O-N 3.47Å
397P24.5Very low28.7Very low119 Ų119135.1 Ų135.177%0.77373%0.726SS**  trans-77.2111.9-176.9-9.725.6000111.6E395E395-P397 WeakPolarHBondContact O-CD 3.5Å
398T21.8Very low28Very low142 Ų142136.5 Ų136.587%0.87174%0.738SS**  trans-93.398.2162.640.90000109.8I396I396-T398 PolarHBondContact O-N 3.47Å
399S25.3Very low27.2Very low99 Ų99138.1 Ų138.169%0.69275%0.749SS**  trans-141.8103.6167.562.50000111.2
400T25.6Very low26.4Very low134 Ų134138.3 Ų138.382%0.82276%0.756SS**  trans-65.8129.4170.835.60000110.9
401L24.8Very low25.9Very low158 Ų158140.6 Ų140.683%0.82777%0.77SS**  trans-80.3129.3164.6-87.785.8000109.5
402T24Very low25.5Very low120 Ų120139.8 Ų139.874%0.73676%0.756SS**  trans-120.989.6169.637.30000109.7T404T402-T404 PolarHBondContact O-N 3.11Å
403T25.4Very low25.2Very low131 Ų131134.6 Ų134.680%0.80474%0.743SS**  trans-81.3108.3168.425.70000109.9
404T24.1Very low25.4Very low134 Ų134135.1 Ų135.182%0.82275%0.747SS**  trans-104.3104.9174.930.60000109.9T402T402-T404 PolarHBondContact O-N 3.11Å
405T24.2Very low25.4Very low137 Ų137130.7 Ų130.784%0.8474%0.744SS**  trans-99.4123.2166.137.40000109.6
406K22.1Very low25.4Very low203 Ų203125.4 Ų125.488%0.88374%0.737SS**  trans-79133.4174.2-67.2173.2174.9177.50110
407T24.9Very low25.5Very low141 Ų141126.6 Ų126.687%0.86574%0.739SS**  trans-140.7159.9153.221.90000109.9
408T23.1Very low25.4Very low118 Ų118128.8 Ų128.872%0.72474%0.737SS**  trans-111.7142-153.135.30000114.2
409I22.8Very low25.5Very low148 Ų148129 Ų12976%0.75973%0.728SS**  trans61.2112.6139.6-54.9162.6000118.1
410S25.1Very low25.5Very low78 Ų78132.3 Ų132.355%0.54573%0.732SS.*  trans-157117.4133.759.30000111.6K449S410-K449 PolarHBondContact O-NZ 2.99Å; S410-K449 PolarHBondContact OG-NZ 3.23Å
411N24.8Very low25.6Very low132 Ų132133.9 Ų133.971%0.70674%0.735SS**  trans-73.9154.2-178.9-59.1-25.5000111.7Y450N411-Y450 WeakPolarHBondContact O-CE1 3.28Å
412H27.1Very low25.5Very low65 Ų65130.9 Ų130.930%0.30173%0.726SS.*  trans-175.4142.9130.8-118.5-114.2000112.6Y450 G451 N452H412-Y450 HydrophobicContact CB-CD1 3.57Å; H412-Y450 HydrophobicContact CB-CE1 3.92Å; H412-Y450 HydrophobicContact CB-CG 4.1Å; H412-Y450 AromaticContact CD2-CD1 3.21Å; H412-Y450 WeakPolarHBondContact CD2-CD1 3.37Å; H412-Y450 AromaticContact CD2-CE1 3.47Å; H412-Y450 VanDerWaalsContact CD2-CE1 3.47Å; H412-Y450 WeakPolarHBondContact CD2-CE1 3.35Å; H412-Y450 WeakPolarHBondContact CE1-CA 3.5Å; H412-Y450 AromaticContact CG-CD1 3.25Å; H412-Y450 AromaticContact CG-CE1 3.81Å; H412-Y450 AromaticContact ND1-CD1 3.67Å; H412-G451 WeakPolarHBondContact CE1-CA 3.43Å; H412-G451 PolarHBondContact CE1-N 3.15Å; H412-G451 PolarHBondContact ND1-N 3.38Å; H412-N452 PolarHBondContact CE1-N 3.13Å; H412-N452 PolarHBondContact ND1-N 3.22Å; H412-N452 VanDerWaalsContact ND1-N 3.11Å; H412-N452 WeakPolarHBondContact NE2-CA 3.34Å; H412-N452 WeakPolarHBondContact NE2-CB 3.07Å; H412-N452 PolarHBondContact NE2-N 3.49Å; H412-N452 VanDerWaalsContact NE2-N 3.11Å; H412-N452 PolarHBondContact NE2-ND2 3.28Å; H412-N452 PolarHBondContact NE2-OD1 2.78Å; H412-N452 VanDerWaalsContact NE2-OD1 3.17Å
413D29Very low25.6Very low89 Ų89133.6 Ų133.648%0.47673%0.728SS.*  trans-79.2170172.9-36.7-75.5000110.5G451D413-G451 WeakPolarHBondContact O-CA 3.3Å; D413-G451 PolarHBondContact O-N 3.12Å
414D33.4Very low25.7Very low141 Ų141134.3 Ų134.375%0.75473%0.727SS**  cis-156.2158.520.1-135.6-12000111.2
415P28.5Very low25.8Very low121 Ų121133.6 Ų133.679%0.78672%0.724SS**  trans-113.2151.6-177.138.5-27.8000115.3
416G26.7Very low25.9Very low66 Ų66136 Ų13668%0.6873%0.726SS**  trans-146.5118.8171.900000114.8
417Q27.3Very low26.1Very low183 Ų183134.3 Ų134.386%0.85573%0.726SS**  trans61145146.2-50.9-159.48.500119.7
418F22.7Very low26Very low164 Ų164134.8 Ų134.872%0.71972%0.722SS**  cis-155.9175.9-8.6-138.3-114.3000111.3
419Q25Very low26.1Very low146 Ų146135.8 Ų135.868%0.68273%0.728SS**  trans-51151.7167.3-64.7151.6-19.700112.7
420Q25.4Very low26.2Very low169 Ų169135.5 Ų135.579%0.7972%0.724SS**  cis72.283.740.8-164.1-17917.100115.7
421L26.8Very low26.3Very low167 Ų167141.1 Ų141.187%0.87474%0.741SS**  trans-142.8122.3150.6-70.8176000106.6
422C23.3Very low26.3Very low96 Ų96143.9 Ų143.965%0.64974%0.743SS**  67.1103.462.5-76.90000116.2
423K26.3Very low26.2Very low176 Ų176145.3 Ų145.377%0.76576%0.759SS**  trans89.5127.7130.5-68.1-176178.1-175.10121.9
424D26.8Very low26.2Very low147 Ų147148.6 Ų148.679%0.78677%0.771SS**  trans76.8135.4142.1-55.8-23.5000120.9
425P26.9Very low26.2Very low118 Ų118147.6 Ų147.677%0.76677%0.766SS**  trans-105.2143-175.938.5-31.6000113.6
426Q26.5Very low26.2Very low188 Ų188147.8 Ų147.888%0.87976%0.76SS**  trans-152.8157.8149.8-76.6-153.2-1.800112.2
427L26.3Very low26.5Very low168 Ų168151.1 Ų151.188%0.8876%0.762SS**  trans80.3113.7166-90.5154.3000119.6
428L21.9Very low26.7Very low151 Ų151148.7 Ų148.779%0.79176%0.755SS**  trans-100.1127.3178.5170.386.3000109.5
429T25.6Very low27.1Very low139 Ų139146.8 Ų146.885%0.85375%0.753SS**  trans-166.1148.4142.512.70000113.3
430H23.9Very low27.5Very low142 Ų142145.7 Ų145.766%0.65775%0.752SS**  trans-65.1146.5-176.5-83.1-123.6000115.3Y432H430-Y432 AromaticContact ND1-CD2 4Å; H430-Y432 AromaticContact ND1-CE2 3.99Å
431H28.6Very low27.8Very low196 Ų196143.9 Ų143.991%0.90775%0.747SS**  -159158.6108.7-112.5-84.7000111.4
432Y23.4Very low27.8Very low190 Ų190142.4 Ų142.475%0.74574%0.74SS**  trans-108.6171.2-161.6-106.8-101.3000114.3H430H430-Y432 AromaticContact ND1-CD2 4Å; H430-Y432 AromaticContact ND1-CE2 3.99Å
433C26.1Very low28.2Very low94 Ų94145.6 Ų145.664%0.63575%0.751SS**  trans78.2140.3165.4-58.80000116.6
434E29.4Very low28.2Very low159 Ų159145.1 Ų145.174%0.74375%0.751SS**  cis-163.3162.9-4.8-118.4155.5-161.100111
435D31.9Very low28.2Very low120 Ų120143.4 Ų143.464%0.64274%0.742SS**  trans72.7106.4143.7-7616.8000125.1
436N30.4Very low28.1Very low125 Ų125145.8 Ų145.867%0.66874%0.743SS**  110.1136111-75.7-27.9000123.1
437N31.3Very low28.1Very low135 Ų135142 Ų14272%0.72274%0.738SS**  trans94101150.3-64.2-21.3000122.3
438N32.2Very low28.3Very low133 Ų133142.5 Ų142.571%0.71174%0.735SS**  71.4109.1119.4-81.930.2000123.4
439D32.3Very low28.6Very low123 Ų123141.1 Ų141.166%0.65872%0.723SS**  71.7112.2108.2-72.314.3000123.5
440N32.5Very low28.6Very low124 Ų124141.1 Ų141.166%0.66371%0.708SS**  99.3125.6120.4-75-31.4000122.8
441N31.6Very low28.8Very low130 Ų130136.8 Ų136.870%0.69570%0.702SS**  trans79.4108.2142.9-65.7-22.2000122.3
442N27.8Very low28.7Very low137 Ų137131.5 Ų131.573%0.73368%0.681SS**  31.9116.8122.8-56.3-11.4000119.5
443N31Very low28.9Very low162 Ų162130.9 Ų130.987%0.86668%0.678SS**  -173.917197.7-104-13.8000113.5
444E25.8Very low28.7Very low166 Ų166133.5 Ų133.578%0.77669%0.685SS**  trans-86.4171.5-173.1-56.3179.5145.100115.4
445N26.9Very low28.5Very low111 Ų111133.3 Ų133.359%0.59468%0.684SS**  trans96.3109.3147.9-69-58.1000122.1
446Q25.6Very low28.3Very low168 Ų168135.1 Ų135.179%0.78569%0.689SS**  74161.5126.4-62.3-178.14400121.8
447S26.8Very low28Very low110 Ų110137.5 Ų137.577%0.76970%0.7SS**  trans61.4155.517866.90000117.5
448E28.7Very low27.7Very low178 Ų178138.5 Ų138.583%0.83270%0.704SS**  cis-159.2131.9-17.5-107.6163.4-172.500106.3
449K28.4Very low27.5Very low121 Ų121138.3 Ų138.353%0.52671%0.708SS.*  52.4136.394.5-150.9180177.2-170.60118S410S410-K449 PolarHBondContact O-NZ 2.99Å; S410-K449 PolarHBondContact OG-NZ 3.23Å
450Y26Very low27.2Very low139 Ų139138.2 Ų138.255%0.54572%0.717SS.*  trans101.2106.1165.9-69.9-91.8000119.5N411 H412N411-Y450 WeakPolarHBondContact O-CE1 3.28Å; H412-Y450 HydrophobicContact CB-CD1 3.57Å; H412-Y450 HydrophobicContact CB-CE1 3.92Å; H412-Y450 HydrophobicContact CB-CG 4.1Å; H412-Y450 AromaticContact CD2-CD1 3.21Å; H412-Y450 WeakPolarHBondContact CD2-CD1 3.37Å; H412-Y450 AromaticContact CD2-CE1 3.47Å; H412-Y450 VanDerWaalsContact CD2-CE1 3.47Å; H412-Y450 WeakPolarHBondContact CD2-CE1 3.35Å; H412-Y450 WeakPolarHBondContact CE1-CA 3.5Å; H412-Y450 AromaticContact CG-CD1 3.25Å; H412-Y450 AromaticContact CG-CE1 3.81Å; H412-Y450 AromaticContact ND1-CD1 3.67Å
451G28.5Very low27Very low52 Ų52140 Ų14054%0.53673%0.726SS.*  trans-129.3-36175.300000124.5H412 D413H412-G451 WeakPolarHBondContact CE1-CA 3.43Å; H412-G451 PolarHBondContact CE1-N 3.15Å; H412-G451 PolarHBondContact ND1-N 3.38Å; D413-G451 WeakPolarHBondContact O-CA 3.3Å; D413-G451 PolarHBondContact O-N 3.12Å
452N27.3Very low26.7Very low85 Ų85139 Ų13946%0.45573%0.729SS.*  trans72.6124.6169.3-106.4-6.9000122.8H412H412-N452 PolarHBondContact CE1-N 3.13Å; H412-N452 PolarHBondContact ND1-N 3.22Å; H412-N452 VanDerWaalsContact ND1-N 3.11Å; H412-N452 WeakPolarHBondContact NE2-CA 3.34Å; H412-N452 WeakPolarHBondContact NE2-CB 3.07Å; H412-N452 PolarHBondContact NE2-N 3.49Å; H412-N452 VanDerWaalsContact NE2-N 3.11Å; H412-N452 PolarHBondContact NE2-ND2 3.28Å; H412-N452 PolarHBondContact NE2-OD1 2.78Å; H412-N452 VanDerWaalsContact NE2-OD1 3.17Å
453Y25.7Very low26.6Very low176 Ų176140.3 Ų140.369%0.6974%0.735SS**  trans84.2126130.1-90.2-134.9000125.4
454L23.1Very low26.4Very low150 Ų150139.9 Ų139.979%0.78573%0.732SS**  trans69.1131146.9-60.4172.6000118.7
455E25.4Very low26.8Very low154 Ų154137.1 Ų137.172%0.7273%0.729SS**  -165.5173.659.9-144.1-168-171.800114.4
456Q27.6Very low27.2Very low159 Ų159136.9 Ų136.974%0.74373%0.733SS**  trans66.183.3156.5-61.5178.235.700121.9
457I23.7Very low27.3Very low174 Ų174134.6 Ų134.689%0.89273%0.731SS**  -137.6117.8128.1-61.1-174.3000109.2
458I25.9Very low27.3Very low156 Ų156134.9 Ų134.980%0.873%0.728SS**  trans-120.6118.2169.1-62.6173.5000108.3
459T27.3Very low27.1Very low130 Ų130132.5 Ų132.580%0.79873%0.726SS**  trans165.182.8138.432.70000110.5
460S25.8Very low26.9Very low121 Ų121133.3 Ų133.385%0.84674%0.736SS**  trans-105.9129161.643.50000109.3
461N28.2Very low26.8Very low162 Ų162133.1 Ų133.187%0.86674%0.744SS**  trans-75.4149.1-170-82-40.4000113.4
462S25.6Very low26.7Very low109 Ų109137.9 Ų137.976%0.76276%0.758SS**  trans-65.4131.8-179.255.50000114.4
463I25.5Very low26.6Very low164 Ų164140.3 Ų140.384%0.84177%0.769SS**  trans-138.5132.4141-59-175.8000107.5
464N27.1Very low26.6Very low153 Ų153138.1 Ų138.182%0.81877%0.769SS**  trans-146.3172174.2-116.2-16000109.1
465P33.7Very low27Very low108 Ų108140.5 Ų140.570%0.70178%0.776SS**  trans-94.5-161.8-136.145.4-44.8000112
466P35.2Very low27Very low105 Ų105140.5 Ų140.568%0.68278%0.776SS**  cis-142.7-174.85.929-2.3000117
467T27.4Very low26.7Very low120 Ų120137.7 Ų137.774%0.73677%0.772SS**  136.6128128.759.30000117.7
468T26.8Very low26.8Very low116 Ų116135.9 Ų135.971%0.71277%0.77SS**  trans54.8105.4141.255.70000121.8
469T24.4Very low26.6Very low128 Ų128132.6 Ų132.679%0.78577%0.766SS**  29.5124.2116.258.90000119.3
470N24.3Very low26.8Very low139 Ų139131.6 Ų131.674%0.74376%0.762SS**  149.1127.2104.9-158.25.7000111.6
471N24.2Very low26.8Very low135 Ų135131.6 Ų131.672%0.72276%0.757SS**  trans3120161.8-60.9-39.2000119
472N25.5Very low26.5Very low152 Ų152134.4 Ų134.481%0.81376%0.757SS**  177.9158.9120.6-101.4-39.2000116.2
473I26.3Very low26.6Very low136 Ų136135.7 Ų135.770%0.69776%0.76SS**  trans79.1109.4148.8-70.4157.6000120.1
474N26.2Very low26.6Very low130 Ų130135.4 Ų135.470%0.69576%0.76SS**  trans46.4107.2134.8-52.7-13000121.1
475H30.6Very low26.7Very low199 Ų199133.2 Ų133.292%0.92175%0.754SS**  trans-94.5114.2143.5-91-72.4000111.3
476H25.9Very low26.3Very low155 Ų155135.9 Ų135.972%0.71876%0.762SS**  trans-76.5160.5159.7-98.8-88000111
477C21.9Very low26Very low99 Ų99138.7 Ų138.767%0.66977%0.771SS**  trans18.6138.9135.2-52.20000118.2
478T24.3Very low25.9Very low137 Ų137138.5 Ų138.584%0.8477%0.774SS**  cis-169.5168.338.1-14.50000112.8
479A22.9Very low26.3Very low87 Ų87138.3 Ų138.372%0.71977%0.774SS**  trans-52.4171.5168.300000114.6
480P31.9Very low26.3Very low109 Ų109139.9 Ų139.971%0.70878%0.777SS**  cis-153.8-172.735.543.3-19.9000120.4
481T25.8Very low26.4Very low121 Ų121138.2 Ų138.274%0.74278%0.776SS**  trans63.6120.8157.341.80000120.1
482Y21.2Very low26.2Very low221 Ų221138.9 Ų138.987%0.86778%0.779SS**  58.8115.754-82-90.8000113.4
483T27.4Very low26Very low135 Ų135139 Ų13983%0.82878%0.779SS**  -162163.851.1410000114.6
484N26Very low25.9Very low159 Ų159137.2 Ų137.285%0.8578%0.779SS**  trans-61.6176.8176.9-94.4-13000116.7
485P29.8Very low25.6Very low107 Ų107139.7 Ų139.770%0.69578%0.783SS**  cis-142.7-177.120.845.2-26.6000118.8
486L24.8Very low25.3Very low163 Ų163135.7 Ų135.785%0.85377%0.773SS**  trans61.497.3162.6-63.6174.1000119.1
487N28.2Very low25.2Very low165 Ų165133.3 Ų133.388%0.88277%0.773SS**  -161.9165.7101.5-138.6-24.8000113.3
488C25.6Very low25.2Very low116 Ų116135.6 Ų135.678%0.78478%0.779SS**  trans-82.5176.8-175.2-1090000113.7
489P35.7Very low25.2Very low112 Ų112135.9 Ų135.973%0.72778%0.775SS**  trans-122.1172.9-13743.4-33.4000115.2
490L23.4Very low25.2Very low160 Ų160138.7 Ų138.784%0.83878%0.778SS**  trans-158.1141.1156.9-117.2144.6000113.2
491S26.2Very low24.9Very low105 Ų105143.5 Ų143.573%0.73479%0.787SS**  trans68.7145.9164.378.60000118.5
492L20.6Very low24.9Very low148 Ų148143.4 Ų143.478%0.77579%0.787SS**  cis-166.4157.5-32.5-146.869.1000108
493L22Very low25Very low154 Ų154137.3 Ų137.381%0.80678%0.776SS**  trans69131.8153.5-112.270.2000121.8
494S23.8Very low24.9Very low100 Ų100138 Ų13870%0.69978%0.775SS**  119.5125125.7-1550000119.1
495F19.9Very low24.8Very low181 Ų181138.3 Ų138.379%0.79477%0.773SS**  trans52112.1153.1-88.1-115.4000119.8
496V23.7Very low24.6Very low116 Ų116140.3 Ų140.370%0.70377%0.773SS**  75.4131.261.5175.40000113.5
497S24.2Very low24.7Very low104 Ų104140.2 Ų140.273%0.72777%0.766SS**  trans75.3152.117587.50000116.2
498N22.7Very low24.6Very low148 Ų148138.7 Ų138.779%0.79176%0.756SS**  cis-152.6166.4-40.6-123.4-32.8000109.7
499L22.7Very low24.8Very low143 Ų143138 Ų13875%0.74975%0.749SS**  trans-35.4132.2168.2-61.2162.7000114.5
500N24.6Very low24.6Very low146 Ų146135.7 Ų135.778%0.78173%0.73SS**  151.4120.9125.3-77.9-32000113
501K24.6Very low24.9Very low209 Ų209133.6 Ų133.691%0.90972%0.72SS**  trans172.6148.9144.3-95.8153.5-175.1-1800108.4
502V25.2Very low25Very low120 Ų120135.7 Ų135.773%0.72772%0.723SS**  cis161156-20.1138.40000105
503S25Very low25.4Very low93 Ų93134 Ų13465%0.6572%0.724SS**  trans63.7116.8159.266.50000121.2
504N24.8Very low25.7Very low148 Ų148136 Ų13679%0.79173%0.729SS**  149.8150.5119.5-79.2-18.3000111.6
505M24.2Very low25.9Very low166 Ų166137.8 Ų137.882%0.81873%0.731SS**  cis-173.7172.7-31.9-121.9-66.6172.300107.3
506E25.6Very low26.3Very low150 Ų150139 Ų13970%0.70174%0.735SS**  trans69150-177.3-59.5-164.3101.400116.2
507K26.8Very low26.4Very low160 Ų160142.9 Ų142.970%0.69674%0.743SS**  cis-156.3123.21.9-132164.2179.2138.40112.2
508I26.4Very low26.3Very low133 Ų133141.9 Ų141.968%0.68275%0.749SS**  26.9130.3129.4-49.1170.1000121.5
509T29.2Very low26.4Very low101 Ų101138.5 Ų138.562%0.6275%0.749SS**  169.8119.6123.737.10000114.3T776T509-T776 WeakPolarHBondContact O-CB 3.46Å; T509-T776 WeakPolarHBondContact O-CG2 3.27Å; T509-T776 PolarHBondContact O-OG1 3.24Å
510D30.5Very low26.4Very low65 Ų65140.9 Ų140.935%0.34876%0.756SS.*  trans-52.8153.4175-66-92.2000117T776 N777 K778D510-T776 VanDerWaalsContact C-OG1 3.3Å; D510-T776 VanDerWaalsContact CA-OG1 3.31Å; D510-T776 WeakPolarHBondContact CA-OG1 3.49Å; D510-N777 VanDerWaalsContact CG-CG 3.47Å; D510-N777 PolarHBondContact N-OD1 3.39Å; D510-N777 WeakPolarHBondContact OD1-CA 3.22Å; D510-N777 VanDerWaalsContact OD1-CG 3.25Å; D510-N777 PolarHBondContact OD1-ND2 2.84Å; D510-N777 PolarHBondContact OD2-ND2 3.23Å; D510-K778 PolarHBondContact OD1-N 3.19Å; D510-K778 IonicContact OD2-NZ 2.65Å
511D29.7Very low26.5Very low115 Ų115143.4 Ų143.462%0.61576%0.763SS**  -177158.2121.6-98.5-11.6000114.9T776D511-T776 PolarHBondContact N-OG1 3.39Å
512D29.7Very low26.7Very low150 Ų150140.3 Ų140.380%0.80276%0.762SS**  trans-85.1176.5-157-81.8-54.9000119.9
513S28.3Very low26.7Very low113 Ų113144 Ų14479%0.7977%0.771SS**  trans80.6141.7165.277.20000117.5
514E27.9Very low26.7Very low195 Ų195142.4 Ų142.491%0.91177%0.77SS**  cis-147151.55.9-146.4175.2-147.900110.9
515N28.3Very low26.7Very low138 Ų138141.9 Ų141.974%0.73877%0.771SS**  trans-119.4130.4-166.9-123.9-38.7000112.5
516K28.1Very low27Very low205 Ų205143.5 Ų143.589%0.89177%0.774SS**  trans169.7107153.1-96156.1-172.8179.40108
517K25.5Very low27Very low199 Ų199139.9 Ų139.987%0.86578%0.777SS**  56.5120.655-75.8-164.5175.6-176.60115.7
518G23.1Very low27.4Very low82 Ų82139.8 Ų139.885%0.84578%0.784SS**  trans139.6122.7145.400000117
519G23.4Very low27.3Very low77 Ų77143.3 Ų143.379%0.79479%0.789SS**  trans76.1121.5166.200000115
520E23.9Very low27.3Very low193 Ų193149.7 Ų149.790%0.90280%0.802SS**  cis57.386.324.6-73.3-164.5162.400115.5
521E26.9Very low27.6Very low199 Ų199151.9 Ų151.993%0.9381%0.81SS**  trans-134.6132.9147.4-79.7-166.4156.100110.5
522T27.4Very low27.9Very low145 Ų145158.3 Ų158.389%0.8983%0.825SS**  trans-113.492.8173.348.70000110.9
523E25.6Very low28.4Very low197 Ų197157 Ų15792%0.92181%0.809SS**  trans-138.2156.9158.1-72.8-151162.400108.5
524G24.8Very low29.2Very low60 Ų60155.5 Ų155.562%0.61980%0.797SS**  cis169.8140-0.700000109.4
525V26.1Very low30.1Very low136 Ų136156.7 Ų156.782%0.82479%0.793SS**  trans46.299.6154.4-150.30000118.8
526K30.8Very low31Very low201 Ų201158 Ų15887%0.87479%0.792SS**  -177.894.8111.5-97.9166.3-168.7170.40111.5D528K526-D528 PolarHBondContact O-N 2.89Å
527G25.4Very low32.1Very low74 Ų74151.7 Ų151.776%0.76377%0.766SS**  trans-79.2102.1169.700000111.3R529G527-R529 PolarHBondContact O-N 3.12Å
528D33.7Very low33.1Very low157 Ų157150.8 Ų150.884%0.8476%0.757SS**  trans-77.979164.1-142.7-12.7000109.5K526 R530K526-D528 PolarHBondContact O-N 2.89Å; D528-R530 PolarHBondContact O-N 3.1Å
529R25.6Very low34.7Very low208 Ų208152.5 Ų152.579%0.78574%0.743SS**  trans-67.972.8-177.6-86.8-177168.5175.5-1111.8G527 Q531G527-R529 PolarHBondContact O-N 3.12Å; R529-Q531 PolarHBondContact O-N 2.81Å
530R29.8Very low36.1Very low235 Ų235151.5 Ų151.589%0.88772%0.723SS**  trans-76.767.8151.1-72.8-165.9178.4-167.71.7110.6D528 R532D528-R530 PolarHBondContact O-N 3.1Å; R530-R532 PolarHBondContact O-N 3.01Å
531Q36.2Very low37.7Very low111 Ų111149.5 Ų149.552%0.51971%0.707SS.*  trans-16.592.4169-71.5-100.3-6.900114.8R529 R533R529-Q531 PolarHBondContact O-N 2.81Å; Q531-R533 HydrophobicContact CB-CG 4.44Å; Q531-R533 PolarHBondContact O-N 3.46Å
532R36.2Very low39.2Very low250 Ų250148.7 Ų148.794%0.94370%0.696SS**  trans-69.480159.8-79.1-171.5172.9-174.30.9108.4R530R530-R532 PolarHBondContact O-N 3.01Å
533R38.8Very low41.2Very low121 Ų121147.5 Ų147.546%0.45768%0.68SS.*  trans-47.5118.3-176-64.3-161.3175.2-164.5-0.4111Q531 Q537Q531-R533 HydrophobicContact CB-CG 4.44Å; Q531-R533 PolarHBondContact O-N 3.46Å; R533-Q537 HydrophobicContact CB-CB 4.29Å; R533-Q537 VanDerWaalsContact CB-OE1 3.23Å
534P46Very low43.7Very low82 Ų82143.9 Ų143.953%0.53266%0.663SS.*  trans-61.9158.6-175.823.3-32.9000111.3K536 Q537 R538P534-K536 PolarHBondContact O-N 3.43Å; P534-Q537 HydrophobicContact CG-CB 4.22Å; P534-Q537 CarbonylContact O-C 3.59Å; P534-Q537 WeakPolarHBondContact O-CA 3.47Å; P534-Q537 PolarHBondContact O-N 3.05Å; P534-R538 PolarHBondContact O-N 3.29Å
535R46.3Very low46Very low220 Ų220143.5 Ų143.583%0.8365%0.651SS**Hα-helixtrans-55.3-31.3-175.6-78.5180175.5163.6-2.4113.2R538 Q539R535-R538 CarbonylContact O-C 3.48Å; R535-R538 WeakPolarHBondContact O-CA 3.4Å; R535-R538 WeakPolarHBondContact O-CB 3.47Å; R535-R538 PolarHBondContact O-N 3.41Å; R535-Q539 PolarHBondContact O-N 3.41Å
536K48.2Very low48.2Very low166 Ų166143.9 Ų143.972%0.72264%0.642SS**Hα-helixtrans-61.4-43.2169.3-74.8-169.4176.6-176.30112.8P534 R538 Q539 C540P534-K536 PolarHBondContact O-N 3.43Å; K536-R538 VanDerWaalsContact C-N 3.3Å; K536-R538 PolarHBondContact O-N 3.02Å; K536-Q539 CarbonylContact O-C 3.52Å; K536-Q539 WeakPolarHBondContact O-CA 3.4Å; K536-Q539 VanDerWaalsContact O-CB 3.31Å; K536-Q539 WeakPolarHBondContact O-CB 3.49Å; K536-Q539 PolarHBondContact O-N 3.27Å; K536-Q539 VanDerWaalsContact O-N 3.11Å; K536-C540 PolarHBondContact O-N 3.17Å; K536-C540 PolarHBondContact O-SG 3.33Å
537Q51.3Low50.3Low73 Ų73139.8 Ų139.834%0.34163%0.625SS.*Hα-helixtrans-74-20.6174.1-151.7-174.640.500112.6R533 P534 R541R533-Q537 HydrophobicContact CB-CB 4.29Å; R533-Q537 VanDerWaalsContact CB-OE1 3.23Å; P534-Q537 HydrophobicContact CG-CB 4.22Å; P534-Q537 CarbonylContact O-C 3.59Å; P534-Q537 WeakPolarHBondContact O-CA 3.47Å; P534-Q537 PolarHBondContact O-N 3.05Å; Q537-R541 WeakPolarHBondContact O-CB 3.49Å; Q537-R541 PolarHBondContact O-N 2.92Å
538R46.3Very low53Low179 Ų179143.2 Ų143.268%0.67562%0.619SS**Hα-helixtrans-74.5-30.4166.4-150.5172.5-176.3175.2-0.7111.5P534 R535 K536 R542P534-R538 PolarHBondContact O-N 3.29Å; R535-R538 CarbonylContact O-C 3.48Å; R535-R538 WeakPolarHBondContact O-CA 3.4Å; R535-R538 WeakPolarHBondContact O-CB 3.47Å; R535-R538 PolarHBondContact O-N 3.41Å; K536-R538 VanDerWaalsContact C-N 3.3Å; K536-R538 PolarHBondContact O-N 3.02Å; R538-R542 WeakPolarHBondContact O-CB 3.46Å; R538-R542 WeakPolarHBondContact O-CG 3.28Å; R538-R542 PolarHBondContact O-N 3.41Å
539Q55.1Low55Low118 Ų118140.2 Ų140.255%0.55160%0.603SS**Hα-helixtrans-70.7-48.2166.5-84.3174.8-32.300111.5R535 K536 R541 R542 Q543R535-Q539 PolarHBondContact O-N 3.41Å; K536-Q539 CarbonylContact O-C 3.52Å; K536-Q539 WeakPolarHBondContact O-CA 3.4Å; K536-Q539 VanDerWaalsContact O-CB 3.31Å; K536-Q539 WeakPolarHBondContact O-CB 3.49Å; K536-Q539 PolarHBondContact O-N 3.27Å; K536-Q539 VanDerWaalsContact O-N 3.11Å; Q539-R541 VanDerWaalsContact C-N 3.31Å; Q539-R541 PolarHBondContact O-N 2.94Å; Q539-R542 CarbonylContact O-C 3.48Å; Q539-R542 WeakPolarHBondContact O-CA 3.4Å; Q539-R542 WeakPolarHBondContact O-CB 3.39Å; Q539-R542 PolarHBondContact O-N 2.9Å; Q539-Q543 WeakPolarHBondContact O-CB 3.44Å; Q539-Q543 PolarHBondContact O-N 3.05Å
540C53.1Low57.3Low56 Ų56136.4 Ų136.438%0.37860%0.595SS.*Hα-helixtrans-61-38.7173.4-60.20000111.1K536 R542 Q543 Q544K536-C540 PolarHBondContact O-N 3.17Å; K536-C540 PolarHBondContact O-SG 3.33Å; C540-R542 VanDerWaalsContact C-N 3.31Å; C540-R542 PolarHBondContact O-N 3.38Å; C540-Q543 PolarHBondContact O-N 3.3Å; C540-Q544 WeakPolarHBondContact O-CA 3.46Å; C540-Q544 WeakPolarHBondContact O-CB 3.48Å; C540-Q544 VanDerWaalsContact O-CG 3.23Å; C540-Q544 WeakPolarHBondContact O-CG 3.39Å; C540-Q544 PolarHBondContact O-N 3.4Å
541R57.4Low59.8Low152 Ų152131.6 Ų131.657%0.57458%0.582SS**Hα-helixtrans-69.4-26.3172.3-162.3176.8-170.7175.22.7112.4Q537 Q539 S545Q537-R541 WeakPolarHBondContact O-CB 3.49Å; Q537-R541 PolarHBondContact O-N 2.92Å; Q539-R541 VanDerWaalsContact C-N 3.31Å; Q539-R541 PolarHBondContact O-N 2.94Å; R541-S545 WeakPolarHBondContact O-CA 3.48Å; R541-S545 WeakPolarHBondContact O-CB 3.49Å; R541-S545 PolarHBondContact O-N 2.94Å; R541-S545 PolarHBondContact O-OG 3.5Å
542R58.4Low62Low181 Ų181131.4 Ų131.468%0.68358%0.581SS**Hα-helixtrans-77.7-33.1170-88.2179.5165.3-177.1-4.2113.2R538 Q539 C540 S545 K546R538-R542 WeakPolarHBondContact O-CB 3.46Å; R538-R542 WeakPolarHBondContact O-CG 3.28Å; R538-R542 PolarHBondContact O-N 3.41Å; Q539-R542 CarbonylContact O-C 3.48Å; Q539-R542 WeakPolarHBondContact O-CA 3.4Å; Q539-R542 WeakPolarHBondContact O-CB 3.39Å; Q539-R542 PolarHBondContact O-N 2.9Å; C540-R542 VanDerWaalsContact C-N 3.31Å; C540-R542 PolarHBondContact O-N 3.38Å; R542-S545 WeakPolarHBondContact CA-OG 3.46Å; R542-S545 PolarHBondContact O-OG 3.19Å; R542-S545 VanDerWaalsContact O-OG 3.14Å; R542-K546 VanDerWaalsContact O-CB 3.29Å; R542-K546 WeakPolarHBondContact O-CB 3.38Å; R542-K546 VanDerWaalsContact O-CG 3.31Å; R542-K546 WeakPolarHBondContact O-CG 3.24Å; R542-K546 PolarHBondContact O-N 2.91Å
543Q69.7Low64.2Low121 Ų121124.9 Ų124.957%0.56556%0.561SS**Hα-helixtrans-75.7-45.5174.9-77.3175.7-20.500110Q539 C540 S545 K546 Q547Q539-Q543 WeakPolarHBondContact O-CB 3.44Å; Q539-Q543 PolarHBondContact O-N 3.05Å; C540-Q543 PolarHBondContact O-N 3.3Å; Q543-S545 VanDerWaalsContact C-N 3.35Å; Q543-K546 CarbonylContact O-C 3.52Å; Q543-K546 WeakPolarHBondContact O-CA 3.47Å; Q543-K546 WeakPolarHBondContact O-CB 3.1Å; Q543-K546 PolarHBondContact O-N 3.48Å; Q543-K546 VanDerWaalsContact O-N 3.14Å; Q543-Q547 WeakPolarHBondContact O-CB 3.48Å; Q543-Q547 PolarHBondContact O-N 2.87Å
544Q78.1Confident66.2Low120 Ų120126.1 Ų126.156%0.56157%0.572SS**Hα-helixtrans-63.2-36.3167.9-70.9175.8-5.800111.5C540 K548C540-Q544 WeakPolarHBondContact O-CA 3.46Å; C540-Q544 WeakPolarHBondContact O-CB 3.48Å; C540-Q544 VanDerWaalsContact O-CG 3.23Å; C540-Q544 WeakPolarHBondContact O-CG 3.39Å; C540-Q544 PolarHBondContact O-N 3.4Å; Q544-K548 WeakPolarHBondContact O-CA 3.5Å; Q544-K548 WeakPolarHBondContact O-CB 3.49Å; Q544-K548 PolarHBondContact O-N 3.02Å
545S73.3Confident68.1Low52 Ų52127.7 Ų127.736%0.36457%0.572SS.*Hα-helixtrans-72.6-29.6171.477.60000112.1R541 R542 Q543 N549R541-S545 WeakPolarHBondContact O-CA 3.48Å; R541-S545 WeakPolarHBondContact O-CB 3.49Å; R541-S545 PolarHBondContact O-N 2.94Å; R541-S545 PolarHBondContact O-OG 3.5Å; R542-S545 WeakPolarHBondContact CA-OG 3.46Å; R542-S545 PolarHBondContact O-OG 3.19Å; R542-S545 VanDerWaalsContact O-OG 3.14Å; Q543-S545 VanDerWaalsContact C-N 3.35Å; S545-N549 WeakPolarHBondContact O-CA 3.36Å; S545-N549 WeakPolarHBondContact O-CB 3.38Å; S545-N549 PolarHBondContact O-N 3.22Å; S545-N549 PolarHBondContact O-OD1 3.17Å
546K72Confident69.8Low145 Ų145122.2 Ų122.263%0.6356%0.555SS**Hα-helixtrans-67-48.4170-86.6-177.4174.3-171.90110.7R542 Q543 N549 Q550R542-K546 VanDerWaalsContact O-CB 3.29Å; R542-K546 WeakPolarHBondContact O-CB 3.38Å; R542-K546 VanDerWaalsContact O-CG 3.31Å; R542-K546 WeakPolarHBondContact O-CG 3.24Å; R542-K546 PolarHBondContact O-N 2.91Å; Q543-K546 CarbonylContact O-C 3.52Å; Q543-K546 WeakPolarHBondContact O-CA 3.47Å; Q543-K546 WeakPolarHBondContact O-CB 3.1Å; Q543-K546 PolarHBondContact O-N 3.48Å; Q543-K546 VanDerWaalsContact O-N 3.14Å; K546-N549 CarbonylContact O-C 3.54Å; K546-N549 PolarHBondContact O-N 3.49Å; K546-Q550 VanDerWaalsContact O-CB 3.24Å; K546-Q550 WeakPolarHBondContact O-CB 3.48Å; K546-Q550 VanDerWaalsContact O-CG 3.22Å; K546-Q550 WeakPolarHBondContact O-CG 3.34Å; K546-Q550 PolarHBondContact O-N 3.05Å
547Q76.3Confident71.5Confident114 Ų114118.6 Ų118.653%0.53354%0.541SS..Hα-helixtrans-64.6-41.2175.7-77.6-179.7-18.500111.6Q543 Q550 Q551Q543-Q547 WeakPolarHBondContact O-CB 3.48Å; Q543-Q547 PolarHBondContact O-N 2.87Å; Q547-Q550 CarbonylContact O-C 3.59Å; Q547-Q550 PolarHBondContact O-N 3.49Å; Q547-Q551 VanDerWaalsContact O-CB 3.26Å; Q547-Q551 WeakPolarHBondContact O-CB 3.15Å; Q547-Q551 VanDerWaalsContact O-CG 3.24Å; Q547-Q551 WeakPolarHBondContact O-CG 3.29Å; Q547-Q551 PolarHBondContact O-N 3.48Å
548K82Confident72.9Confident147 Ų147124.5 Ų124.564%0.63956%0.56SS**Hα-helixtrans-74.2-30.8177.5-157.4172.4-165177.70111.8Q544 Q552Q544-K548 WeakPolarHBondContact O-CA 3.5Å; Q544-K548 WeakPolarHBondContact O-CB 3.49Å; Q544-K548 PolarHBondContact O-N 3.02Å; K548-Q552 VanDerWaalsContact O-CB 3.24Å; K548-Q552 WeakPolarHBondContact O-CB 3.35Å; K548-Q552 WeakPolarHBondContact O-CG 3.47Å; K548-Q552 PolarHBondContact O-N 2.84Å
549N76Confident74.7Confident93 Ų93120 Ų12050%0.49755%0.547SS..Hα-helixtrans-73.5-32.5167.2-76.4-3.5000112.2S545 K546 H553S545-N549 WeakPolarHBondContact O-CA 3.36Å; S545-N549 WeakPolarHBondContact O-CB 3.38Å; S545-N549 PolarHBondContact O-N 3.22Å; S545-N549 PolarHBondContact O-OD1 3.17Å; K546-N549 CarbonylContact O-C 3.54Å; K546-N549 PolarHBondContact O-N 3.49Å; N549-H553 VanDerWaalsContact O-CB 3.27Å; N549-H553 WeakPolarHBondContact O-CB 3.45Å; N549-H553 PolarHBondContact O-N 2.81Å
550Q73.7Confident75.9Confident129 Ų129122.9 Ų122.960%0.60355%0.553SS**Hα-helixtrans-71.6-42.7173.7-81.3173.3-4.900110.4K546 Q547 H553 H554K546-Q550 VanDerWaalsContact O-CB 3.24Å; K546-Q550 WeakPolarHBondContact O-CB 3.48Å; K546-Q550 VanDerWaalsContact O-CG 3.22Å; K546-Q550 WeakPolarHBondContact O-CG 3.34Å; K546-Q550 PolarHBondContact O-N 3.05Å; Q547-Q550 CarbonylContact O-C 3.59Å; Q547-Q550 PolarHBondContact O-N 3.49Å; Q550-H553 CarbonylContact O-C 3.52Å; Q550-H553 PolarHBondContact O-N 3.28Å; Q550-H554 WeakPolarHBondContact O-CB 3.23Å; Q550-H554 PolarHBondContact O-N 2.91Å
551Q80.6Confident77Confident133 Ų133125.8 Ų125.862%0.62156%0.559SS**Hα-helixtrans-65.2-39.5171-74.5175.75.500111Q547 H554 H555Q547-Q551 VanDerWaalsContact O-CB 3.26Å; Q547-Q551 WeakPolarHBondContact O-CB 3.15Å; Q547-Q551 VanDerWaalsContact O-CG 3.24Å; Q547-Q551 WeakPolarHBondContact O-CG 3.29Å; Q547-Q551 PolarHBondContact O-N 3.48Å; Q551-H554 PolarHBondContact O-N 3.02Å; Q551-H555 WeakPolarHBondContact O-CA 3.33Å; Q551-H555 WeakPolarHBondContact O-CB 3.23Å; Q551-H555 PolarHBondContact O-N 2.87Å
552Q83.7Confident78.2Confident108 Ų108124.9 Ų124.951%0.50556%0.559SS.*Hα-helixtrans-66.1-38169.2-87.9-171-24.500111.8K548 H555 Q556K548-Q552 VanDerWaalsContact O-CB 3.24Å; K548-Q552 WeakPolarHBondContact O-CB 3.35Å; K548-Q552 WeakPolarHBondContact O-CG 3.47Å; K548-Q552 PolarHBondContact O-N 2.84Å; Q552-H555 PolarHBondContact O-N 3.47Å; Q552-Q556 WeakPolarHBondContact O-CA 3.49Å; Q552-Q556 WeakPolarHBondContact O-CB 3.26Å; Q552-Q556 WeakPolarHBondContact O-CG 3.16Å; Q552-Q556 PolarHBondContact O-N 3.03Å
553H81.1Confident79Confident112 Ų112121.6 Ų121.652%0.51955%0.554SS.*Hα-helixtrans-67.6-38.7175.1-114-79.7000111.3N549 Q550 H557N549-H553 VanDerWaalsContact O-CB 3.27Å; N549-H553 WeakPolarHBondContact O-CB 3.45Å; N549-H553 PolarHBondContact O-N 2.81Å; Q550-H553 CarbonylContact O-C 3.52Å; Q550-H553 PolarHBondContact O-N 3.28Å; H553-H557 WeakPolarHBondContact O-CA 3.46Å; H553-H557 WeakPolarHBondContact O-CB 3.31Å; H553-H557 PolarHBondContact O-N 3.21Å
554H81Confident79Confident147 Ų147121.4 Ų121.468%0.68155%0.553SS**Hα-helixtrans-70.3-39.3173.9-103.912000111.3Q550 Q551 H557 R558Q550-H554 WeakPolarHBondContact O-CB 3.23Å; Q550-H554 PolarHBondContact O-N 2.91Å; Q551-H554 PolarHBondContact O-N 3.02Å; H554-H557 PolarHBondContact O-N 3.28Å; H554-R558 WeakPolarHBondContact O-CB 3.01Å; H554-R558 PolarHBondContact O-N 3.32Å
555H86.1Confident78.9Confident115 Ų115119.4 Ų119.453%0.53255%0.55SS..Hα-helixtrans-70.1-45.2176.2-159.488.3000110.3Q551 Q552 H557 R558 Q559Q551-H555 WeakPolarHBondContact O-CA 3.33Å; Q551-H555 WeakPolarHBondContact O-CB 3.23Å; Q551-H555 PolarHBondContact O-N 2.87Å; Q552-H555 PolarHBondContact O-N 3.47Å; H555-H557 VanDerWaalsContact C-N 3.34Å; H555-H557 PolarHBondContact O-N 3.32Å; H555-R558 CarbonylContact O-C 3.59Å; H555-R558 PolarHBondContact O-N 2.96Å; H555-Q559 PolarHBondContact NE2-NE2 2.96Å; H555-Q559 WeakPolarHBondContact O-CB 3.43Å; H555-Q559 WeakPolarHBondContact O-CG 3.44Å; H555-Q559 PolarHBondContact O-N 3.45Å
556Q83.5Confident78.6Confident105 Ų105121.1 Ų121.149%0.49156%0.555SS.*Hα-helixtrans-63.6-35171.4-73.91792.300112.5Q552 R560Q552-Q556 WeakPolarHBondContact O-CA 3.49Å; Q552-Q556 WeakPolarHBondContact O-CB 3.26Å; Q552-Q556 WeakPolarHBondContact O-CG 3.16Å; Q552-Q556 PolarHBondContact O-N 3.03Å; Q556-R560 WeakPolarHBondContact O-CA 3.43Å; Q556-R560 WeakPolarHBondContact O-CB 3.49Å; Q556-R560 VanDerWaalsContact O-CG 3.26Å; Q556-R560 WeakPolarHBondContact O-CG 3.03Å; Q556-R560 PolarHBondContact O-N 2.81Å
557H82.6Confident78.2Confident91 Ų91119.7 Ų119.742%0.42155%0.55SS..Hα-helixtrans-73.8-37.1175.1-17656.5000111.4H553 H554 H555 R560 K561H553-H557 WeakPolarHBondContact O-CA 3.46Å; H553-H557 WeakPolarHBondContact O-CB 3.31Å; H553-H557 PolarHBondContact O-N 3.21Å; H554-H557 PolarHBondContact O-N 3.28Å; H555-H557 VanDerWaalsContact C-N 3.34Å; H555-H557 PolarHBondContact O-N 3.32Å; H557-R560 PolarHBondContact O-N 2.96Å; H557-K561 VanDerWaalsContact NE2-CE 3.27Å; H557-K561 WeakPolarHBondContact NE2-CE 3.41Å; H557-K561 PolarHBondContact NE2-NZ 3.39Å; H557-K561 WeakPolarHBondContact O-CB 3.43Å; H557-K561 WeakPolarHBondContact O-CG 3.3Å; H557-K561 PolarHBondContact O-N 3.04Å
558R80.7Confident77.4Confident197 Ų197120.9 Ų120.974%0.74355%0.554SS**Hα-helixtrans-69.7-38.4173.8-163.3175.4-166.3-177.54.2110.9H554 H555 K561 K562H554-R558 WeakPolarHBondContact O-CB 3.01Å; H554-R558 PolarHBondContact O-N 3.32Å; H555-R558 CarbonylContact O-C 3.59Å; H555-R558 PolarHBondContact O-N 2.96Å; R558-K561 PolarHBondContact O-N 2.69Å; R558-K562 VanDerWaalsContact O-CB 3.23Å; R558-K562 WeakPolarHBondContact O-CB 3.29Å; R558-K562 PolarHBondContact O-N 2.72Å
559Q84.6Confident76.3Confident83 Ų83120.2 Ų120.239%0.38855%0.551SS.*Hα-helixtrans-71.4-36.2172.1-67.9-7011.800111.5H555 K562 L563H555-Q559 PolarHBondContact NE2-NE2 2.96Å; H555-Q559 WeakPolarHBondContact O-CB 3.43Å; H555-Q559 WeakPolarHBondContact O-CG 3.44Å; H555-Q559 PolarHBondContact O-N 3.45Å; Q559-K562 CarbonylContact O-C 3.51Å; Q559-K562 PolarHBondContact O-N 2.8Å; Q559-L563 WeakPolarHBondContact O-CB 3.35Å; Q559-L563 VanDerWaalsContact O-CG 3.24Å; Q559-L563 WeakPolarHBondContact O-CG 3.47Å; Q559-L563 PolarHBondContact O-N 3.46Å
560R79.5Confident75.2Confident180 Ų180124.6 Ų124.668%0.67956%0.56SS**Hα-helixtrans-66.7-40.5170.2-83.6178.5169.2177.7-3.7111.6Q556 H557 L563 Q564Q556-R560 WeakPolarHBondContact O-CA 3.43Å; Q556-R560 WeakPolarHBondContact O-CB 3.49Å; Q556-R560 VanDerWaalsContact O-CG 3.26Å; Q556-R560 WeakPolarHBondContact O-CG 3.03Å; Q556-R560 PolarHBondContact O-N 2.81Å; H557-R560 PolarHBondContact O-N 2.96Å; R560-L563 PolarHBondContact O-N 3.14Å; R560-Q564 WeakPolarHBondContact O-CB 3.3Å; R560-Q564 PolarHBondContact O-N 3.04Å
561K77.8Confident74.1Confident117 Ų117124.1 Ų124.151%0.50956%0.558SS.*Hα-helixtrans-63.8-41.4170.1-81.2-176.5168.6176.10111.2H557 R558 Q564 V565H557-K561 VanDerWaalsContact NE2-CE 3.27Å; H557-K561 WeakPolarHBondContact NE2-CE 3.41Å; H557-K561 PolarHBondContact NE2-NZ 3.39Å; H557-K561 WeakPolarHBondContact O-CB 3.43Å; H557-K561 WeakPolarHBondContact O-CG 3.3Å; H557-K561 PolarHBondContact O-N 3.04Å; R558-K561 PolarHBondContact O-N 2.69Å; K561-Q564 PolarHBondContact O-N 3.1Å; K561-V565 VanDerWaalsContact O-CB 3.24Å; K561-V565 WeakPolarHBondContact O-CB 3.42Å; K561-V565 WeakPolarHBondContact O-CG2 3.42Å; K561-V565 PolarHBondContact O-N 3.09Å
562K81.1Confident72.3Confident133 Ų133123.3 Ų123.358%0.57856%0.558SS**Hα-helixtrans-69.1-37178.1-154.3176.8-170.2-1730112R558 Q559 N566R558-K562 VanDerWaalsContact O-CB 3.23Å; R558-K562 WeakPolarHBondContact O-CB 3.29Å; R558-K562 PolarHBondContact O-N 2.72Å; Q559-K562 CarbonylContact O-C 3.51Å; Q559-K562 PolarHBondContact O-N 2.8Å; K562-N566 WeakPolarHBondContact O-CB 3.25Å; K562-N566 PolarHBondContact O-N 3.45Å
563L75.3Confident70.4Confident111 Ų111124.9 Ų124.958%0.58156%0.563SS**Hα-helixtrans-66.4-52.1171-78.4168.6000110Q559 R560 V565 N566 E567Q559-L563 WeakPolarHBondContact O-CB 3.35Å; Q559-L563 VanDerWaalsContact O-CG 3.24Å; Q559-L563 WeakPolarHBondContact O-CG 3.47Å; Q559-L563 PolarHBondContact O-N 3.46Å; R560-L563 PolarHBondContact O-N 3.14Å; L563-V565 VanDerWaalsContact C-N 3.3Å; L563-V565 PolarHBondContact O-N 2.77Å; L563-N566 CarbonylContact O-C 3.13Å; L563-N566 VanDerWaalsContact O-C 3.32Å; L563-N566 WeakPolarHBondContact O-CA 2.96Å; L563-N566 WeakPolarHBondContact O-CB 3.42Å; L563-N566 PolarHBondContact O-N 3.37Å; L563-E567 WeakPolarHBondContact O-CA 3.43Å; L563-E567 VanDerWaalsContact O-CB 3.23Å; L563-E567 WeakPolarHBondContact O-CB 3.36Å; L563-E567 PolarHBondContact O-N 2.78Å
564Q69.8Low68.6Low117 Ų117127.4 Ų127.455%0.54758%0.575SS.*Hα-helixtrans-63.8-32.1179.2-169173.754.700112.7R560 K561 K568R560-Q564 WeakPolarHBondContact O-CB 3.3Å; R560-Q564 PolarHBondContact O-N 3.04Å; K561-Q564 PolarHBondContact O-N 3.1Å; Q564-K568 WeakPolarHBondContact O-CB 3.31Å; Q564-K568 WeakPolarHBondContact O-CG 3.24Å; Q564-K568 PolarHBondContact O-N 3.2Å
565V75.8Confident66.5Low79 Ų79128.2 Ų128.248%0.47958%0.577SS.*Hα-helixtrans-70.6-43.7168.6168.20000110.8K561 L563 E567 K568 F569K561-V565 VanDerWaalsContact O-CB 3.24Å; K561-V565 WeakPolarHBondContact O-CB 3.42Å; K561-V565 WeakPolarHBondContact O-CG2 3.42Å; K561-V565 PolarHBondContact O-N 3.09Å; L563-V565 VanDerWaalsContact C-N 3.3Å; L563-V565 PolarHBondContact O-N 2.77Å; V565-E567 PolarHBondContact O-N 2.85Å; V565-K568 PolarHBondContact O-N 3.33Å; V565-F569 HydrophobicContact CG1-CD2 4.16Å; V565-F569 WeakPolarHBondContact O-CB 3.37Å; V565-F569 PolarHBondContact O-N 2.84Å
566N68.3Low64.1Low88 Ų88131.5 Ų131.547%0.47159%0.59SS.*Hα-helixtrans-66.8-22.8172.9-80.71.8000113.2K562 L563 F569 R570K562-N566 WeakPolarHBondContact O-CB 3.25Å; K562-N566 PolarHBondContact O-N 3.45Å; L563-N566 CarbonylContact O-C 3.13Å; L563-N566 VanDerWaalsContact O-C 3.32Å; L563-N566 WeakPolarHBondContact O-CA 2.96Å; L563-N566 WeakPolarHBondContact O-CB 3.42Å; L563-N566 PolarHBondContact O-N 3.37Å; N566-F569 CarbonylContact O-C 3.54Å; N566-R570 VanDerWaalsContact O-CB 3.25Å; N566-R570 WeakPolarHBondContact O-CB 3.43Å; N566-R570 PolarHBondContact O-N 2.83Å
567E62.7Low61.5Low114 Ų114131.2 Ų131.253%0.53360%0.599SS.*Hα-helixtrans-83.5-41.8178.9-150.3166.6-143.900109.1L563 V565 F569 R570 Q571L563-E567 WeakPolarHBondContact O-CA 3.43Å; L563-E567 VanDerWaalsContact O-CB 3.23Å; L563-E567 WeakPolarHBondContact O-CB 3.36Å; L563-E567 PolarHBondContact O-N 2.78Å; V565-E567 PolarHBondContact O-N 2.85Å; E567-F569 VanDerWaalsContact C-N 3.32Å; E567-F569 PolarHBondContact O-N 3.18Å; E567-R570 CarbonylContact O-C 3.6Å; E567-R570 PolarHBondContact O-N 2.89Å; E567-Q571 WeakPolarHBondContact O-CB 3.38Å; E567-Q571 VanDerWaalsContact O-CG 3.29Å; E567-Q571 WeakPolarHBondContact O-CG 3.42Å; E567-Q571 PolarHBondContact O-N 3.45Å
568K59.1Low58.9Low140 Ų140132.5 Ų132.561%0.60962%0.619SS**Hα-helixtrans-59.7-40.6163.5-74-177.4176.3-166.90111.8Q564 V565 N572Q564-K568 WeakPolarHBondContact O-CB 3.31Å; Q564-K568 WeakPolarHBondContact O-CG 3.24Å; Q564-K568 PolarHBondContact O-N 3.2Å; V565-K568 PolarHBondContact O-N 3.33Å; K568-N572 WeakPolarHBondContact O-CB 3.24Å; K568-N572 PolarHBondContact O-N 3.1Å
569F58.6Low56.4Low132 Ų132132 Ų13258%0.57963%0.63SS**Hα-helixtrans-69.1-32.9172.9-104.8-80.5000113V565 N566 E567 K573V565-F569 HydrophobicContact CG1-CD2 4.16Å; V565-F569 WeakPolarHBondContact O-CB 3.37Å; V565-F569 PolarHBondContact O-N 2.84Å; N566-F569 CarbonylContact O-C 3.54Å; E567-F569 VanDerWaalsContact C-N 3.32Å; E567-F569 PolarHBondContact O-N 3.18Å; F569-K573 VanDerWaalsContact O-CB 3.3Å; F569-K573 WeakPolarHBondContact O-CB 3.24Å; F569-K573 PolarHBondContact O-N 3.14Å
570R53.6Low53.7Low186 Ų186132.6 Ų132.670%0.70264%0.643SS**Hα-helixtrans-72.8-39.8173.6-98.2-174.9165.7-177.7-5.1111.6N566 E567 N572 K573 Q574N566-R570 VanDerWaalsContact O-CB 3.25Å; N566-R570 WeakPolarHBondContact O-CB 3.43Å; N566-R570 PolarHBondContact O-N 2.83Å; E567-R570 CarbonylContact O-C 3.6Å; E567-R570 PolarHBondContact O-N 2.89Å; R570-N572 VanDerWaalsContact C-N 3.33Å; R570-K573 PolarHBondContact O-N 3.07Å; R570-Q574 VanDerWaalsContact O-CB 3.24Å; R570-Q574 WeakPolarHBondContact O-CB 3.43Å; R570-Q574 WeakPolarHBondContact O-CG 3.26Å; R570-Q574 PolarHBondContact O-N 3.04Å
571Q49.7Very low51.4Low119 Ų119130.6 Ų130.656%0.55665%0.646SS**Hα-helixtrans-65.5-37.8173.5-72.8174.2-1.500110.9E567 K575E567-Q571 WeakPolarHBondContact O-CB 3.38Å; E567-Q571 VanDerWaalsContact O-CG 3.29Å; E567-Q571 WeakPolarHBondContact O-CG 3.42Å; E567-Q571 PolarHBondContact O-N 3.45Å; Q571-K575 PolarHBondContact O-N 3.44Å
572N42.9Very low49.1Very low115 Ų115131.6 Ų131.662%0.61566%0.657SS**Hα-helixtrans-71.8-36.3171.3-84.3-1.1000113.4K568 R570 K575K568-N572 WeakPolarHBondContact O-CB 3.24Å; K568-N572 PolarHBondContact O-N 3.1Å; R570-N572 VanDerWaalsContact C-N 3.33Å; N572-K575 PolarHBondContact O-N 2.65Å
573K43.7Very low46.5Very low141 Ų141133 Ų13361%0.61367%0.671SS**Hα-helixtrans-76.3-30.5175.3-82.7-163.4168.9-166.80113.8F569 R570 K575 F576 S577F569-K573 VanDerWaalsContact O-CB 3.3Å; F569-K573 WeakPolarHBondContact O-CB 3.24Å; F569-K573 PolarHBondContact O-N 3.14Å; R570-K573 PolarHBondContact O-N 3.07Å; K573-K575 PolarHBondContact O-N 3.36Å; K573-F576 CarbonylContact O-C 3.53Å; K573-F576 PolarHBondContact O-N 2.94Å; K573-S577 PolarHBondContact O-N 3.39Å
574Q43.7Very low44.2Very low165 Ų165130.8 Ų130.877%0.77168%0.675SS**THydrogen-bonded Turntrans-68.3-13.3169.7-79.1-177.6-37.900112.4R570R570-Q574 VanDerWaalsContact O-CB 3.24Å; R570-Q574 WeakPolarHBondContact O-CB 3.43Å; R570-Q574 WeakPolarHBondContact O-CG 3.26Å; R570-Q574 PolarHBondContact O-N 3.04Å
575K37.5Very low42.2Very low165 Ų165132.5 Ų132.572%0.71769%0.688SS**THydrogen-bonded Turntrans-85.3-11.5165-76.4-171.5170.2-1730114.3Q571 N572 K573Q571-K575 PolarHBondContact O-N 3.44Å; N572-K575 PolarHBondContact O-N 2.65Å; K573-K575 PolarHBondContact O-N 3.36Å
576F34.8Very low40Very low183 Ų183134.6 Ų134.680%0.80370%0.696SS**SBendtrans-149.875.5179.7-70.5-73.6000113.6K573K573-F576 CarbonylContact O-C 3.53Å; K573-F576 PolarHBondContact O-N 2.94Å
577S28.8Very low38.3Very low99 Ų99137.2 Ų137.269%0.69271%0.705SS**SBendtrans177.194142.553.20000112.8K573K573-S577 PolarHBondContact O-N 3.39Å
578S29.6Very low36.7Very low119 Ų119139 Ų13983%0.83272%0.719SS**  trans17275.513560.70000111.7
579L27.4Very low35.4Very low185 Ų185135.9 Ų135.997%0.96973%0.726SS**  trans-106.988.1153.7-152.185.7000106.1
580S28.4Very low34Very low97 Ų97139 Ų13968%0.67874%0.74SS**  trans-165.2143.3178.5-163.10000111.7
581N30.6Very low32.7Very low137 Ų137138.9 Ų138.973%0.73374%0.744SS**  trans70.699.7176.5-57-13.9000114.9
582N28.8Very low31.5Very low139 Ų139142.9 Ų142.974%0.74375%0.754SS**  cis97139.241.7-74-11000114
583N26.8Very low30.7Very low163 Ų163143.4 Ų143.487%0.87276%0.757SS**  trans81.4123.9153-68.7-4.8000120.3
584G26.7Very low29.8Very low64 Ų64141.7 Ų141.766%0.6676%0.762SS**  trans175.453166.200000116.1
585N28.8Very low28.9Very low153 Ų153142.2 Ų142.282%0.81876%0.764SS**  trans67.3158.2163.9-49.3-23.5000115.4
586N29.9Very low28.3Very low122 Ų122140.1 Ų140.165%0.65277%0.765SS**  cis-163.9170.7-16.6-102.8-10.9000106.6
587H32.9Very low27.8Very low143 Ų143138.7 Ų138.766%0.66277%0.765SS**  cis-154.6160.25.5-108.9-38.1000110.9
588N29Very low27.7Very low152 Ų152139.2 Ų139.281%0.81377%0.769SS**  trans22.4138.5144.1-59.2-17.5000124.4
589G32.2Very low27.6Very low75 Ų75141 Ų14177%0.77377%0.768SS**  trans12778.8152.300000114.8
590K27.7Very low28Very low197 Ų197137.2 Ų137.286%0.85775%0.754SS**  54.2118.282.8-87.4-171.7179.7175.10117.3
591K27.6Very low27.9Very low184 Ų184142.1 Ų142.180%0.876%0.763SS**  trans69.3155.1157.2-65.8-177.8173.2-171.70117.1
592R24.1Very low27.7Very low203 Ų203139.9 Ų139.977%0.76676%0.758SS**  cis160.4164.2-24-138.9-166.5-130162.3-1.5104.5
593D26.6Very low27.5Very low125 Ų125138.2 Ų138.267%0.66876%0.758SS**  trans72.6114.8164-40.3-35.2000113.9
594C24.1Very low27.3Very low106 Ų106139.8 Ų139.872%0.71676%0.757SS**  cis94139.745-72.50000113.2
595E24.2Very low27.3Very low175 Ų175142.7 Ų142.782%0.81876%0.762SS**  trans67.6148.8173.6-64.1141.1-133.900115
596T25.4Very low27.2Very low121 Ų121140 Ų14074%0.74276%0.755SS**  cis-154.2125.625.1-29.50000107.3
597L23.3Very low26.9Very low153 Ų153139.3 Ų139.380%0.80176%0.76SS**  48.79682.8-75.7177.5000117.7
598S26.9Very low26.4Very low110 Ų110141 Ų14177%0.76977%0.773SS**  trans-174.487.815353.10000110.7
599I27.4Very low26.2Very low158 Ų158139.6 Ų139.681%0.8178%0.775SS**  48.4161.496.57-172.9000117.7
600P36Very low25.8Very low105 Ų105141.1 Ų141.168%0.68277%0.773SS**  -119.6-130.8-114.444.3-25.5000113.8
601F27.4Very low25.7Very low199 Ų199139.2 Ų139.287%0.87377%0.772SS**  trans96.5137.5-174.1-68.7-90.1000113.9
602S26.4Very low25.5Very low90 Ų90135.2 Ų135.263%0.62977%0.767SS**  cis-173.8147.9-8.547.90000113.9
603S24.3Very low25.8Very low105 Ų105131.8 Ų131.873%0.73477%0.771SS**  trans47.7158.9140.162.40000124
604F22.3Very low25.9Very low195 Ų195131.4 Ų131.486%0.85578%0.779SS**  cis174.5166.3-36.4-131.2-79.7000107.6
605V26.3Very low25.9Very low126 Ų126133.3 Ų133.376%0.76478%0.781SS**  trans69.4142.5167.3-129.70000114.9
606S26.4Very low25.9Very low96 Ų96131.3 Ų131.367%0.67178%0.783SS**  cis-159.1161.230.2-48.70000115.3
607S25.5Very low26Very low108 Ų108129.4 Ų129.476%0.75577%0.774SS**  trans43.5119.3150.655.90000119.3
608L20.5Very low25.9Very low179 Ų179130.6 Ų130.694%0.93778%0.78SS**  cis62.494.841.6-128.693.4000115.4
609S25.9Very low26Very low122 Ų122129.9 Ų129.985%0.85378%0.775SS**  trans-154.4135.3159.357.70000111.4
610S23.4Very low25.8Very low106 Ų106130.6 Ų130.674%0.74178%0.779SS**  trans-61.1152.7-179.951.50000115.6
611L25.4Very low25.3Very low157 Ų157131.2 Ų131.282%0.82279%0.786SS**  -166.5128123.1-124.274.8000113.2
612S24Very low25Very low101 Ų101127.2 Ų127.271%0.70678%0.778SS**  trans16.7119.4154.157.40000122.3
613P30.7Very low24.8Very low131 Ų131129.1 Ų129.185%0.85179%0.786SS**PPolyproline II helixtrans-91.5142.214935-29000111.6
614S27.5Very low24.8Very low117 Ų117130 Ų13082%0.81878%0.783SS**PPolyproline II helixtrans-91.6143.3178.943.80000113.3
615L24.3Very low24.9Very low145 Ų145126.2 Ų126.276%0.75977%0.771SS**PPolyproline II helixtrans-67.7147.7162.4-74.9115.2000109.9
616P25.5Very low24.9Very low133 Ų133126.3 Ų126.386%0.86477%0.767SS**  -129.2131.886.335.5-26.6000114
617S26Very low25Very low81 Ų81128.6 Ų128.657%0.56677%0.772SS**  trans-98.8132.1167.552.40000110.7
618I22.7Very low25.1Very low179 Ų179129.9 Ų129.992%0.91877%0.771SS**  trans-122.3119.8145.1-69.1-177.6000106.4
619S27.6Very low25.2Very low94 Ų94126.3 Ų126.366%0.65776%0.76SS**  trans-112.7147.5-168.745.90000111.6
620L23Very low25.3Very low173 Ų173127.3 Ų127.391%0.90676%0.756SS**  trans-59.8135.3155.5-8857.7000108.7
621S25.5Very low25.5Very low118 Ų118128.8 Ų128.883%0.82576%0.755SS**  trans-119.7123.1163.252.90000110.2
622T22Very low25.9Very low115 Ų115129.2 Ų129.271%0.70676%0.758SS**  trans-101.8148.5172.241.90000110
623T22.6Very low26.1Very low130 Ų130132.8 Ų132.880%0.79876%0.76SS**  trans63.9149.4165.165.30000115.3
624N23.8Very low26.3Very low125 Ų125135.2 Ų135.267%0.66876%0.76SS**  cis-173.6162.733.8-149.2-5.7000111.3
625N25.2Very low26.4Very low114 Ų114136.2 Ų136.261%0.6176%0.756SS**  trans55.8123.2149.6-72.9-23.6000123.8
626N24.7Very low26.6Very low128 Ų128140.2 Ų140.268%0.68476%0.761SS**  44.5119.8124.2-52.8-20.5000120.2
627N30Very low26.8Very low145 Ų145140.2 Ų140.278%0.77575%0.753SS**  -177.6123.8112.9-92.4-35.7000113.4
628N25.8Very low27Very low135 Ų135141.4 Ų141.472%0.72276%0.757SS**  53117.3127.3-67-25.2000122.5
629S23.3Very low27.2Very low103 Ų103141.7 Ų141.772%0.7275%0.751SS**  98.6151.7117.578.70000121
630L29.1Very low27.1Very low144 Ų144141.7 Ų141.775%0.75475%0.751SS**  trans84.690.9160-60.8170.5000119.5
631N26.3Very low27.3Very low136 Ų136139.6 Ų139.673%0.72775%0.746SS**  48.7113115.7-74.7-37.9000119.3
632L34.6Very low27.2Very low167 Ų167137.7 Ų137.787%0.87474%0.744SS**  -166.8103.2119.7-101.6156.8000112.2
633K28.3Very low27.3Very low176 Ų176137.6 Ų137.677%0.76574%0.744SS**  trans6.4117.9138.2-60.8174.3174.8-1800118.1
634H34.3Very low27.3Very low182 Ų182141.3 Ų141.384%0.84375%0.745SS**  -164.9139.699-114.9-50.2000113
635D29.8Very low27.3Very low138 Ų138142 Ų14274%0.73875%0.749SS**  trans-79.7154.9-177.9-49-90.7000114.3
636R28.7Very low27.2Very low228 Ų228142.2 Ų142.286%0.8675%0.753SS**  -168.2116.1112.6-101179.2177.3-169.4-1.1114.4
637I30.5Very low27.3Very low134 Ų134143.5 Ų143.569%0.68776%0.761SS**  trans79.588.9131.7-61.2171.2000119.5
638T29.8Very low26.9Very low106 Ų106145.2 Ų145.265%0.6577%0.766SS**  57.7126127.465.40000124.6
639K27Very low27.2Very low184 Ų184143.4 Ų143.480%0.877%0.77SS**  60.9113.3126.4-61.4179.6-178.6-176.50118.1
640S25.6Very low27.4Very low95 Ų95146.6 Ų146.666%0.66478%0.779SS**  76.615056.281.70000115.1
641T27.3Very low27.6Very low129 Ų129146.6 Ų146.679%0.79178%0.784SS**  trans65.2100.2175.361.30000116.3
642G22.7Very low27.6Very low77 Ų77144.9 Ų144.979%0.79478%0.783SS**  trans-86.7142.115600000110.6
643T23.9Very low27.3Very low113 Ų113142.6 Ų142.669%0.69378%0.776SS**  trans-158.1144.4170.534.90000110
644Y23Very low27.1Very low208 Ų208142.9 Ų142.982%0.81678%0.782SS**  trans73.4103.3164.8-59.5-62.7000121.1
645N23.6Very low26.8Very low141 Ų141139.8 Ų139.875%0.75478%0.781SS**  32.6122.1118.2-80.2-2.7000121
646V23.6Very low26.7Very low117 Ų117140.7 Ų140.771%0.70978%0.783SS**  51.7106.9125.2-170.90000117.7
647N25.7Very low27Very low156 Ų156137.8 Ų137.883%0.83478%0.784SS**  -159.8164.4118.7-107.1-31.1000114.1
648M22.8Very low26.9Very low181 Ų181138.2 Ų138.289%0.89279%0.788SS**  trans-69.9151.9-166.4-60.1175.1171.300115.4
649A31.6Very low26.9Very low96 Ų96141.5 Ų141.579%0.79380%0.801SS**  trans-150.9111.5145.900000110.3
650N26.7Very low26.8Very low171 Ų171138 Ų13891%0.91480%0.795SS**  trans-80.2133166.5-97.4-23.5000109.1
651V33Very low26.9Very low143 Ų143139 Ų13987%0.86780%0.797SS**  trans-131.6133.4158.8-179.40000107.8
652S26.3Very low26.9Very low100 Ų100140.3 Ų140.370%0.69980%0.799SS**  trans-107.3180-168.2-165.30000112.3
653T28.7Very low27Very low120 Ų120146.1 Ų146.174%0.73680%0.803SS**  trans65.3111.2170.7590000115.9
654M23.9Very low27.3Very low182 Ų182145.8 Ų145.890%0.89781%0.805SS**  58.9110.275.8-67.5-169.27900114.3
655S28.5Very low27.5Very low116 Ų116142.9 Ų142.981%0.81180%0.804SS**  -172.8158.9106.8-162.80000112.1
656M28.5Very low27.7Very low158 Ų158141.6 Ų141.678%0.77880%0.801SS**  trans-49.5141.6179.4-58.3-63.8-174.100114.8
657N35.3Very low28.1Very low167 Ų167144.1 Ų144.189%0.89381%0.811SS**  trans-98.2111.2151.4-85.2-15.9000108.7
658D26.5Very low28.3Very low143 Ų143144.2 Ų144.277%0.76581%0.811SS**  trans-64.5135.4160.2-67.2-60.6000109.9
659L30.1Very low28.5Very low175 Ų175143.5 Ų143.592%0.91681%0.81SS**  trans-153145.2135-137.172.4000111.7
660T26Very low28.3Very low109 Ų109144.6 Ų144.667%0.66981%0.809SS**  trans-106.4173.3-163.949.50000112.2
661T26.5Very low28.3Very low118 Ų118142 Ų14272%0.72480%0.804SS**  trans63118.4162.354.60000117.1
662N28.5Very low28.1Very low155 Ų155144.8 Ų144.883%0.82981%0.805SS**  -156.4146.363.8-94.5-51000114.3
663K24.4Very low28.1Very low199 Ų199148.2 Ų148.287%0.86581%0.814SS**  trans-94.1143.6170.4-65.3170.4174.6174.90109.8
664S29.4Very low28Very low106 Ų106147.9 Ų147.974%0.74181%0.814SS**  trans176.9142.3131.5380000112.3
665N27.5Very low28Very low148 Ų148145 Ų14579%0.79181%0.812SS**  trans60.9141.5157.3-59-0.7000118.8
666T27.5Very low28.1Very low113 Ų113145 Ų14569%0.69381%0.812SS**  cis-161.9117.3-15.519.70000104.8
667N32.8Very low28Very low171 Ų171145 Ų14591%0.91481%0.813SS**  trans-123.898.2175.9-86-21.4000109.8
668D29.5Very low27.5Very low158 Ų158143.4 Ų143.485%0.84581%0.814SS**  trans-85.5106.8167-76.4-54.2000110.2
669L28Very low27.2Very low166 Ų166141.4 Ų141.487%0.86981%0.811SS**  trans-159.1129.5136.1-148.364.4000110.8
670P27.5Very low27Very low119 Ų119137.9 Ų137.977%0.77381%0.807SS**  trans-85.3138.1-168.831.8-35.4000114
671S26Very low26.8Very low117 Ų117143 Ų14382%0.81882%0.816SS**  trans-78.7131.916150.40000111.1
672K29.5Very low26.8Very low201 Ų201147.4 Ų147.487%0.87482%0.821SS**  trans-146.497.7163-98.3-170.8178178.70110.6
673L24.7Very low26.6Very low171 Ų171144.2 Ų144.290%0.89581%0.81SS**  trans-162.493.1157.6-112.6161.7000108.8
674P27.4Very low26.6Very low114 Ų114141.5 Ų141.574%0.7481%0.806SS**  trans-86.3148.5172.634.1-31.7000111.2
675S23.9Very low26.7Very low120 Ų120146.2 Ų146.284%0.83981%0.813SS**  trans-64.7137.1170.2510000112.7
676S29.9Very low26.7Very low117 Ų117150.2 Ų150.282%0.81882%0.818SS**  trans-132.5118.6157.2660000111.3
677I27.3Very low26.6Very low158 Ų158152.8 Ų152.881%0.8182%0.822SS**  trans-49.9142.8-178.7-68.7150.2000113.1
678C23.7Very low26.4Very low133 Ų133149.9 Ų149.990%0.89981%0.813SS**  trans-102.2106.8174.8-167.40000110.4
679S21.8Very low26.3Very low102 Ų102148.8 Ų148.871%0.71381%0.811SS**  trans-164.495.4169.856.30000112
680A24.8Very low26.2Very low101 Ų101149.5 Ų149.584%0.83581%0.808SS**  trans-155.8138.3162.900000111
681Y21.3Very low26.2Very low217 Ų217150 Ų15085%0.85181%0.814SS**  trans-90.2175.7-178.1-93.8-110.7000112.9
682Y27.3Very low26.1Very low209 Ų209149 Ų14982%0.8281%0.806SS**  trans83.697.6161.6-75.2-83.6000120
683S23.9Very low26Very low88 Ų88145.9 Ų145.962%0.61581%0.809SS**  88.9141.3107.9-157.90000121.6
684N25.2Very low26Very low143 Ų143142.8 Ų142.877%0.76580%0.801SS**  trans60.598.8158-69.7-21.2000119.5
685K31.6Very low25.9Very low204 Ų204144.2 Ų144.289%0.88780%0.802SS**  -169.883.3126.2-100.9156.5-171.3179.60111.5
686Y26.3Very low25.9Very low233 Ų233145.2 Ų145.291%0.91480%0.798SS**  trans-80.2119.7162.3-88.2-82000109.3
687H26Very low25.6Very low166 Ų166146.5 Ų146.577%0.76980%0.8SS**  trans-127.987.1173.1-122.8-68.7000109.3V689H687-V689 PolarHBondContact O-N 3.28Å
688P28.2Very low25.6Very low111 Ų111144.6 Ų144.672%0.72180%0.798SS**  trans-77.4109169.730.3-29.9000108.9
689V28.4Very low25.8Very low134 Ų134143.9 Ų143.981%0.81280%0.795SS**  trans-76.6131.2172.2177.20000108.9H687 S691H687-V689 PolarHBondContact O-N 3.28Å; V689-S691 PolarHBondContact O-N 3.45Å
690K26.3Very low26Very low182 Ų182147.3 Ų147.379%0.79180%0.804SS**  trans-68.6125-171.8-61.2169.1178.7176.50111.5
691S26.9Very low26.2Very low130 Ų130147.4 Ų147.491%0.90980%0.799SS**  trans-88.9103.2151.343.10000108.5V689V689-S691 PolarHBondContact O-N 3.45Å
692S24.2Very low26.6Very low94 Ų94143.3 Ų143.366%0.65780%0.799SS**  trans-123.2104.9177.755.40000110.3
693C26.7Very low26.5Very low137 Ų137138.2 Ų138.293%0.92679%0.794SS**  trans-157.3109.9152.1-96.90000108.9
694S24.2Very low26.6Very low105 Ų105140.4 Ų140.473%0.73480%0.804SS**  trans-72.2154.9166.549.10000111.2
695L25Very low26.7Very low145 Ų145141.4 Ų141.476%0.75981%0.808SS**  177.5132.1118.4-91.7155.5000112.6
696N25.1Very low26.4Very low140 Ų140137.6 Ų137.675%0.74981%0.807SS**  trans53117.4148.7-58.5-12.6000121.7
697V24.2Very low26.4Very low144 Ų144131.4 Ų131.487%0.87380%0.798SS**  -158.9143.4101.2141.30000108.4
698P27.4Very low26.5Very low118 Ų118131.2 Ų131.277%0.76680%0.802SS**  trans-95.7138.6-155.934.7-34000114.8
699S27.1Very low26.3Very low118 Ų118131.2 Ų131.283%0.82580%0.803SS**  trans-86.6121.1161.5460000110.4S701S699-S701 PolarHBondContact O-N 3.37Å
700L25.7Very low26Very low174 Ų174130.6 Ų130.691%0.91181%0.805SS**  trans-69.4115.2171.1-80.2156.8000109.8
701S28.1Very low26Very low104 Ų104127.8 Ų127.873%0.72780%0.803SS**  trans-93.4128.7163.551.30000109.8S699 S703S699-S701 PolarHBondContact O-N 3.37Å; S701-S703 PolarHBondContact O-N 3.24Å
702P29.7Very low25.9Very low130 Ų130126.5 Ų126.584%0.84479%0.794SS**  trans-75.1115.7166.229.6-30.5000109
703S25.6Very low25.9Very low103 Ų103127 Ų12772%0.7280%0.797SS**  trans-76.4132.5161.847.80000109.4S701S701-S703 PolarHBondContact O-N 3.24Å
704T27.7Very low25.9Very low133 Ų133125 Ų12582%0.81679%0.786SS**  trans175.7146.513027.30000112
705L26.7Very low26.2Very low164 Ų164126.9 Ų126.986%0.85979%0.787SS**  trans69.477.9164.4-60.4170.9000118.5
706S24.4Very low26.2Very low125 Ų125127.9 Ų127.987%0.87479%0.788SS**  trans-138.484.4144.556.30000111.4
707S26.9Very low26.1Very low102 Ų102128.1 Ų128.171%0.71379%0.788SS**  trans-160.3115.916452.70000111.9
708L27.4Very low26.4Very low162 Ų162127.2 Ų127.285%0.84879%0.787SS**  173.7138.8124-91.9164000111.7
709C24.3Very low26.1Very low111 Ų111127.7 Ų127.775%0.7579%0.788SS**  trans57.488.1157.8-64.80000120.1
710S21.9Very low26.2Very low122 Ų122128.8 Ų128.885%0.85379%0.79SS**  trans-84.5134136.8-49.10000109.5
711T26.4Very low26.1Very low123 Ų123127.5 Ų127.576%0.75578%0.783SS**  trans-165.3146158.7110000112.8
712S25Very low26.1Very low103 Ų103130 Ų13072%0.7279%0.786SS**  trans50.1114.1161.354.30000119.1
713S24.8Very low26Very low103 Ų103129.4 Ų129.472%0.7278%0.783SS**  cis99.2130.938.271.70000115
714S25.4Very low26.2Very low97 Ų97129.9 Ų129.968%0.67879%0.786SS**  trans58.6114.2152.959.80000120.9
715N31Very low26.1Very low143 Ų143127.9 Ų127.977%0.76578%0.778SS**  -179109.2115.2-84.5-19.9000108.5
716Q26.5Very low26.2Very low167 Ų167127.7 Ų127.778%0.7877%0.772SS**  68.8103.190-76.7-161.70.800115.9
717I23Very low26.3Very low145 Ų145128.1 Ų128.174%0.74476%0.763SS**  trans49114.8132-53.4164.4000118.1
718S28.6Very low26.4Very low124 Ų124131.9 Ų131.987%0.86777%0.769SS**  trans-152.5119.6137.5-81.70000110.8
719T22.8Very low26.4Very low128 Ų128131.8 Ų131.879%0.78576%0.764SS**  trans-90.6128.5172.245.40000110.3
720T28.2Very low26.6Very low141 Ų141132.4 Ų132.487%0.86576%0.76SS**  trans-139.3138.7159.2-56.90000109.4
721I24.6Very low26.9Very low148 Ų148133.1 Ų133.176%0.75975%0.754SS**  trans-106.4155.9-173.1-55168.4000109
722I28Very low27Very low155 Ų155132.1 Ų132.180%0.79575%0.752SS**  trans128120.5149.5-65.5173000112
723P27.5Very low26.9Very low119 Ų119138.5 Ų138.577%0.77376%0.762SS**  trans-94.8161.4178.637.9-34.8000113
724S28.5Very low27Very low113 Ų113145.6 Ų145.679%0.7977%0.773SS**  trans-144.4117.8159.8-150.20000112.3
725S26.9Very low27.1Very low91 Ų91144.4 Ų144.464%0.63678%0.776SS**  trans34.3143.8145.268.40000124.7
726H28.4Very low27Very low160 Ų160148 Ų14874%0.74179%0.785SS**  trans88.1103.8150.9-65.9-57.3000122.4
727I26.3Very low26.9Very low134 Ų134151.7 Ų151.769%0.68779%0.792SS**  63100.8126-55.9164.6000117
728H28.4Very low27Very low180 Ų180155.7 Ų155.783%0.83380%0.797SS**  -160.7149.190.6-135-74.5000112.1
729Q28.2Very low26.9Very low161 Ų161158.8 Ų158.875%0.75280%0.798SS**  trans-94.5160.7179.8-77.9168.1-76.700113.5
730D28.9Very low27.1Very low124 Ų124158.7 Ų158.766%0.66380%0.797SS**  trans73.7102.3144.8-65.5-5.6000122.8
731N27.4Very low27Very low137 Ų137156.9 Ų156.973%0.73379%0.791SS**  99125.3112.1-78.3-39.1000123.7
732S27.6Very low26.9Very low101 Ų101155.3 Ų155.371%0.70679%0.792SS**  trans50.694.6142.660.30000122R734S732-R734 PolarHBondContact O-N 2.92Å
733Y23.6Very low27Very low237 Ų237153.9 Ų153.993%0.92979%0.793SS**  trans-20.9109.5135.8-78.4-103.1000116.9
734R27.9Very low26.8Very low253 Ų253153.5 Ų153.596%0.95579%0.793SS**  trans-159.4140.1137.7-144.4177.1-175.1-163.22.7112.9S732S732-R734 PolarHBondContact O-N 2.92Å
735G26.8Very low26.8Very low72 Ų72156.6 Ų156.674%0.74280%0.795SS**  trans88.648.614700000120.3R737G735-R737 PolarHBondContact O-N 2.91Å; G735-R737 VanDerWaalsContact O-N 3.1Å
736K28.8Very low26.9Very low219 Ų219160.8 Ų160.895%0.95281%0.805SS**  trans-64.3107.5165.2-71.8-175.8177.8-179.70111.6
737R23.9Very low26.9Very low244 Ų244162.1 Ų162.192%0.92181%0.811SS**  trans-92.3125.6158.4-168.1173.5-173.81722109.4G735 Q739G735-R737 PolarHBondContact O-N 2.91Å; G735-R737 VanDerWaalsContact O-N 3.1Å; R737-Q739 PolarHBondContact O-N 2.86Å
738R24.7Very low26.9Very low228 Ų228163.3 Ų163.386%0.8682%0.819SS**  trans-63.5126.8-178.4-61.5165.5173.4159.1-5.3111.7
739Q26.5Very low26.8Very low189 Ų189164.1 Ų164.188%0.88382%0.82SS**  trans-134.9139.6134.3-87.5-63.72.700107.5R737R737-Q739 PolarHBondContact O-N 2.86Å
740V28.2Very low26.9Very low127 Ų127163.6 Ų163.677%0.7782%0.822SS**PPolyproline II helixtrans-95.9141.3-170.4175.20000109.8
741S25.3Very low26.8Very low103 Ų103164.9 Ų164.972%0.7283%0.828SS**PPolyproline II helixtrans-60.4143.9177.447.20000113.3
742S23.6Very low27Very low114 Ų114164.6 Ų164.680%0.79783%0.827SS**PPolyproline II helixtrans-55.9138.6170.3-47.60000112.3
743P29.5Very low27.1Very low126 Ų126165.3 Ų165.382%0.81882%0.823SS**PPolyproline II helixtrans-78.6128.4158.7-5.723.8000109.7
744S22.8Very low27.3Very low110 Ų110160.2 Ų160.277%0.76981%0.812SS**PPolyproline II helixtrans-70142.5155-57.60000108.7
745E29.3Very low27.4Very low178 Ų178155 Ų15583%0.83280%0.802SS**  177.7141122.4-97.1163.8-17400113.6
746E29.5Very low27.3Very low180 Ų180159.1 Ų159.184%0.84180%0.801SS**  trans5395.6149.5-58.1-167.6147.800121.4
747H27.2Very low27.2Very low188 Ų188154.8 Ų154.887%0.8779%0.786SS**  trans-102.1115.4134.7-88.8-68.2000109.5
748N26.6Very low27.3Very low158 Ų158151.3 Ų151.385%0.84578%0.78SS**  trans176.8100.8143-96.6-33.4000111.7
749K27.5Very low27.4Very low197 Ų197146.9 Ų146.986%0.85778%0.779SS**  178.2155.4123.2-105.6167.7-178172.80115
750L30Very low27.4Very low151 Ų151143.9 Ų143.979%0.79178%0.776SS**  trans7585.2159.5-65.5161.6000117.6
751N25.9Very low27.4Very low150 Ų150143.6 Ų143.680%0.80278%0.78SS**  -27.5139118.2-87.5-10.9000112.4
752N31.3Very low27.7Very low132 Ų132147.8 Ų147.871%0.70679%0.785SS**  -157.9136122.1-101.44.8000110.2
753D30.7Very low28Very low115 Ų115148.9 Ų148.962%0.61578%0.782SS**  trans50.1111.9142.1-54.2-41.2000121
754N27.4Very low27.9Very low131 Ų131153.8 Ų153.870%0.70178%0.784SS**  49.4113.1115.9-48.6-43.2000117.9
755D29.7Very low28Very low142 Ų142159.6 Ų159.676%0.75979%0.789SS**  -174.9152.7110.8-105.5-23.8000115.7
756F26.1Very low27.8Very low160 Ų160156.2 Ų156.270%0.70278%0.784SS**  trans58.2111.7156.5-79.7-116.7000119.6
757I26Very low27.6Very low128 Ų128153 Ų15366%0.65678%0.782SS**  81.4113.972.1-70.9168.6000114.2
758Q25.2Very low27.6Very low170 Ų170149.9 Ų149.979%0.79478%0.781SS**  trans29.4111.3153.2-63.8178.2-21.200119.8
759T27.1Very low27.5Very low135 Ų135152.3 Ų152.383%0.82878%0.784SS**  -170.8138.896.123.50000112
760P27.3Very low27.4Very low126 Ų126150.3 Ų150.382%0.81878%0.783SS**  trans-101.2116.717634.7-28.8000112.6
761S28.5Very low27.3Very low122 Ų122147.6 Ų147.685%0.85378%0.777SS**  trans-111.8115.9170.359.70000111.6
762K31.4Very low27.5Very low190 Ų190148.1 Ų148.183%0.82677%0.774SS**  trans-87144.9-179.4-73.2176.4176.2173.70112.7
763N30Very low27.4Very low137 Ų137150.7 Ų150.773%0.73378%0.779SS**  trans59.1126.2143.8-70.3-18.6000122.2
764R26Very low27.1Very low230 Ų230150 Ų15087%0.86878%0.782SS**  10.8130.6114.5-66175166.8178.4-2.7114.5
765R26.3Very low27.2Very low231 Ų231149.4 Ų149.487%0.87278%0.778SS**  cis-177.1134.643.8-159.6173.7-173167.80.4110.8
766C25.1Very low27.1Very low107 Ų107145.5 Ų145.572%0.72376%0.76SS**  trans22128.2154.1-48.60000123.1
767S25.5Very low27.3Very low114 Ų114141.5 Ų141.580%0.79775%0.746SS**  65.7115.3129.7660000122
768S26.3Very low27.5Very low121 Ų121141.9 Ų141.985%0.84674%0.742SS**  -161.6152.5123.256.80000111.8
769F24.5Very low27.7Very low209 Ų209141.2 Ų141.292%0.91774%0.74SS**  trans-78.6147.6165.5-102.5-100000109.9
770N25.9Very low27.7Very low156 Ų156143.8 Ų143.883%0.83474%0.739SS**  trans-112.9116.7179.8-177.88000111.3
771S28.3Very low27.7Very low94 Ų94144.2 Ų144.266%0.65774%0.74SS**  trans-176.5126.6163.253.40000107.6
772Q28.9Very low27.6Very low160 Ų160147.2 Ų147.275%0.74874%0.741SS**  cis-162.6146.111.5-105.2162-2600109.9
773K28.5Very low27.4Very low186 Ų186144.3 Ų144.381%0.80974%0.744SS**  trans64.9152.4152.5-62.6177.4178.4-173.40117.6
774C26.2Very low27.3Very low102 Ų102145 Ų14569%0.68975%0.746SS**  cis-156.7160.6-8.2-1130000111
775L29Very low27.4Very low117 Ų117139.5 Ų139.561%0.61374%0.739SS**  trans22.4107.5148.1-61.1163.6000121.1
776T27.6Very low27.6Very low60 Ų60134.4 Ų134.437%0.36873%0.729SS.*  15.6141.2116.350.50000122.4T509 D510 D511T509-T776 WeakPolarHBondContact O-CB 3.46Å; T509-T776 WeakPolarHBondContact O-CG2 3.27Å; T509-T776 PolarHBondContact O-OG1 3.24Å; D510-T776 VanDerWaalsContact C-OG1 3.3Å; D510-T776 VanDerWaalsContact CA-OG1 3.31Å; D510-T776 WeakPolarHBondContact CA-OG1 3.49Å; D511-T776 PolarHBondContact N-OG1 3.39Å
777N29.7Very low27.8Very low76 Ų76135.9 Ų135.941%0.40673%0.729SS.*  168.5-153.576128.4-122.2000110.8D510D510-N777 VanDerWaalsContact CG-CG 3.47Å; D510-N777 PolarHBondContact N-OD1 3.39Å; D510-N777 WeakPolarHBondContact OD1-CA 3.22Å; D510-N777 VanDerWaalsContact OD1-CG 3.25Å; D510-N777 PolarHBondContact OD1-ND2 2.84Å; D510-N777 PolarHBondContact OD2-ND2 3.23Å
778K30.3Very low28.1Very low136 Ų136136.6 Ų136.659%0.59172%0.724SS**  trans-93.8147.5-133.7-96.1155.5-166.5157.50121.8D510D510-K778 PolarHBondContact OD1-N 3.19Å; D510-K778 IonicContact OD2-NZ 2.65Å
779Q28.8Very low28.3Very low157 Ų157136.2 Ų136.273%0.73471%0.713SS**  trans60.1119.5135-71.6176.8-58.100124.4
780F27.2Very low28.5Very low188 Ų188132.9 Ų132.983%0.82570%0.704SS**  44.7116.2128.4-80.9-92.9000120.7
781T28Very low28.6Very low136 Ų136130.4 Ų130.483%0.83470%0.699SS**  -171.5157.382.326.70000110.9
782E25.9Very low28.6Very low185 Ų185130.9 Ų130.986%0.86470%0.703SS**  trans-85146.1-178.7-64171.2125.900112.3
783S28.3Very low28.6Very low129 Ų129129.5 Ų129.590%0.90271%0.705SS**  trans-155141154.7-80.40000109.9
784I26.9Very low28.5Very low151 Ų151127 Ų12777%0.77471%0.705SS**  trans-108.8152-163.8-51.4169.9000109.1
785T29.5Very low29Very low115 Ų115127.2 Ų127.271%0.70671%0.705SS**  trans136.1141.1135.660.30000116.9
786N28.9Very low28.8Very low124 Ų124129.8 Ų129.866%0.66372%0.716SS**  trans76.6100.5142-65.2-7.7000122.5
787N29.3Very low28.8Very low137 Ų137133.4 Ų133.473%0.73373%0.731SS**  69.3146.8102.4-66.51.7000123.4
788N31.5Very low28.6Very low129 Ų129135.1 Ų135.169%0.6975%0.745SS**  trans97.5113.2145.9-74.912.9000121.9
789D31.1Very low28.5Very low114 Ų114134 Ų13461%0.6175%0.75SS**  84.3111116.3-64.5-18.9000124.1
790N28.2Very low28.6Very low138 Ų138132.5 Ų132.574%0.73875%0.752SS**  77.9134.6119.2-63.4-36.1000123.2
791S29.6Very low28.5Very low104 Ų104130.8 Ų130.873%0.72775%0.748SS**  trans99.2116.6133.977.20000122.3
792S27.1Very low28.7Very low105 Ų105129 Ų12973%0.73474%0.741SS**  85156.4122.374.50000123.6
793V28.9Very low28.9Very low130 Ų130125.1 Ų125.179%0.78873%0.734SS**  trans94.3127.1160.4-166.70000119.6
794V27.5Very low28.9Very low134 Ų134125.1 Ų125.181%0.81273%0.729SS**  trans-128.9130.6169.3164.80000105.5
795P37Very low28.8Very low107 Ų107123.7 Ų123.770%0.69573%0.727SS**  -142.9152.894.124.9-2000113.6
796M24.7Very low28.8Very low170 Ų170123.9 Ų123.984%0.83773%0.733SS**  67.8137.667.1-136.5-168.4-168.300115
797I26.8Very low28.7Very low136 Ų136123.4 Ų123.470%0.69774%0.739SS**  trans10396.7157.3-64.9171000119.7
798T24.4Very low29.3Very low112 Ų112122.6 Ų122.669%0.68774%0.741SS**  trans74.4154.5134.160.80000125.6
799T28.2Very low29.1Very low114 Ų114127.2 Ų127.270%0.69975%0.749SS**  trans71.8147.615134.40000117.6
800T31Very low28.8Very low125 Ų125128.5 Ų128.577%0.76776%0.756SS**  cis-162.9158.811.311.60000107.8
801M26.8Very low28.5Very low151 Ų151126 Ų12674%0.74475%0.748SS**  cis-171.9157.7-20.8-119.9-65.5162.800109.7
802S30.3Very low28.3Very low100 Ų100131.9 Ų131.970%0.69976%0.756SS**  trans62.3145143.965.20000122.1
803S31.9Very low28.2Very low102 Ų102132 Ų13271%0.71376%0.756SS**  cis179.8167.2-11.250.70000113.6
804V26.7Very low28.3Very low130 Ų130130.6 Ų130.679%0.78875%0.753SS**  trans88.5120.6154.1-167.40000120.5
805T26.1Very low28.2Very low121 Ų121129 Ų12974%0.74275%0.747SS**  trans-58.9154.2169.653.50000117.5
806S29.5Very low27.6Very low119 Ų119129.1 Ų129.183%0.83275%0.751SS**  173.5171.7116.651.10000113.1
807S25.6Very low28Very low113 Ų113126.6 Ų126.679%0.7975%0.747SS**  trans-97.9-162.8-160.7-43.40000113.8
808P43.1Very low28Very low120 Ų120127.6 Ų127.678%0.77975%0.754SS**  -120.2143.5-113.435.9-17.8000114.7
809R27.5Very low28Very low226 Ų226130.3 Ų130.385%0.85376%0.763SS**  trans-148.7130.5172.7-82.9-164.3170.4-173.3-2.2114
810L23.9Very low27.8Very low142 Ų142129.3 Ų129.374%0.74376%0.76SS**  trans54.3151.6131.5-48.8171.9000118.3
811C21.8Very low27.6Very low86 Ų86130.4 Ų130.458%0.58176%0.759SS**  cis-173.7170.6-18.3-103.40000105.4
812Y24.8Very low27.5Very low226 Ų226129.4 Ų129.489%0.88676%0.757SS**  trans65.9149176.8-50.9-82.8000113.4
813S24.8Very low27.2Very low107 Ų107133.7 Ų133.775%0.74877%0.766SS**  cis-159.6144.1-10.739.20000103.8
814S31Very low26.9Very low102 Ų102133.5 Ų133.571%0.71377%0.765SS**  -172145.552.248.50000111
815S25.3Very low26.7Very low100 Ų100134.1 Ų134.170%0.69977%0.769SS**  trans30.597.8147.858.80000120.3
816S25.5Very low26.6Very low110 Ų110134.9 Ų134.977%0.76977%0.767SS**  35.9149.1114.561.80000122.6
817P33.7Very low26.3Very low116 Ų116136.7 Ų136.775%0.75377%0.767SS**  cis-126.9148.6-3.335.9-18.9000115.7
818N26.2Very low26.3Very low157 Ų157138.7 Ų138.784%0.8477%0.768SS**  trans-78.7147.4158.8-101.9-40.7000110.2
819I24.1Very low25.3Very low170 Ų170139.8 Ų139.887%0.87276%0.762SS**  trans-122.1109.6158.8-65.2177.3000107.9
820S24.2Very low25.2Very low92 Ų92135.5 Ų135.564%0.64376%0.761SS**  trans-155.3163166.967.40000110
821I26Very low25.4Very low148 Ų148134.8 Ų134.876%0.75976%0.758SS**  trans88.992.4176.7-51.9170.3000115.4
822D25.3Very low25.5Very low131 Ų131139.7 Ų139.770%0.70177%0.769SS**  36.3125121.2-60.5-51.6000122
823Q24.8Very low25.6Very low190 Ų190136.8 Ų136.889%0.88877%0.768SS**  45.680.3129.6-55.4-172.27.900117.5
824S24.4Very low25.6Very low97 Ų97140.2 Ų140.268%0.67877%0.769SS**  trans-119.2124.2151.358.20000110.7I826S824-I826 PolarHBondContact O-N 2.91Å; S824-I826 VanDerWaalsContact O-N 3.15Å
825T24.1Very low25.4Very low143 Ų143142.8 Ų142.888%0.87777%0.77SS**  trans-72.1101.4172.1-50.80000108.6N827T825-N827 PolarHBondContact O-N 3.01Å
826I23.2Very low25.6Very low137 Ų137143 Ų14370%0.70377%0.771SS**  trans-88.6105176.5-63.7173.1000108.6S824S824-I826 PolarHBondContact O-N 2.91Å; S824-I826 VanDerWaalsContact O-N 3.15Å
827N23.7Very low25.6Very low157 Ų157144.8 Ų144.884%0.8477%0.773SS**PPolyproline II helixtrans-82.3138.9160.1-101.4-13.1000109T825T825-N827 PolarHBondContact O-N 3.01Å
828I24.9Very low25.2Very low156 Ų156147.2 Ų147.280%0.877%0.774SS**PPolyproline II helixtrans-80.8146.5-167.2-69.7170.8000112
829H22.6Very low24.9Very low143 Ų143144.9 Ų144.966%0.66277%0.769SS**PPolyproline II helixtrans-58.3141176.8-145.2-111000112.1D831H829-D831 IonicContact CE1-OD1 2.67Å; H829-D831 PolarHBondContact CE1-OD1 2.72Å; H829-D831 IonicContact CE1-OD2 3.27Å; H829-D831 VanDerWaalsContact ND1-CG 3.28Å; H829-D831 IonicContact ND1-OD1 3.24Å; H829-D831 PolarHBondContact ND1-OD1 2.72Å; H829-D831 VanDerWaalsContact ND1-OD1 3.09Å; H829-D831 IonicContact ND1-OD2 3.54Å; H829-D831 PolarHBondContact ND1-OD2 3.14Å
830V25.7Very low24.9Very low135 Ų135142.6 Ų142.682%0.81876%0.763SS**  trans-118113.7160.51750000106.9
831D27.2Very low25Very low127 Ų127145.7 Ų145.768%0.67977%0.771SS**  trans-77.7150.3178.4-79.7-64000112.7H829H829-D831 IonicContact CE1-OD1 2.67Å; H829-D831 PolarHBondContact CE1-OD1 2.72Å; H829-D831 IonicContact CE1-OD2 3.27Å; H829-D831 VanDerWaalsContact ND1-CG 3.28Å; H829-D831 IonicContact ND1-OD1 3.24Å; H829-D831 PolarHBondContact ND1-OD1 2.72Å; H829-D831 VanDerWaalsContact ND1-OD1 3.09Å; H829-D831 IonicContact ND1-OD2 3.54Å; H829-D831 PolarHBondContact ND1-OD2 3.14Å
832K24.8Very low24.9Very low189 Ų189145.7 Ų145.782%0.82277%0.772SS**  trans-109.6130.2-177.7-71.3176.4173.8179.30111.1
833L25.7Very low25Very low165 Ų165147.1 Ų147.186%0.86478%0.78SS**  trans-131.7115.4143.7-62.1171.8000103.7
834K25.7Very low24.9Very low179 Ų179146.3 Ų146.378%0.77878%0.776SS**  47.6129.678.8-71.9-166170.1-165.70111.3
835E27Very low25Very low157 Ų157150.9 Ų150.973%0.73479%0.786SS**  cis-164.7160.243.3-155.1149.1-127.200111.9
836S28.6Very low24.9Very low103 Ų103151 Ų15172%0.7278%0.782SS**  trans48.9154.9148.7550000122.9
837D25.3Very low25Very low149 Ų149150.5 Ų150.580%0.79779%0.785SS**  cis-171.6168.8-34.9-131.5-28.2000108.9
838Q25.8Very low25Very low166 Ų166151.6 Ų151.678%0.77679%0.785SS**  trans73.5119.2158.6-70.3-179.744.200123.7
839C20.7Very low25.1Very low108 Ų108150.8 Ų150.873%0.7379%0.788SS**  67.6103.9124.8-62.60000123.2
840T24.4Very low25Very low123 Ų123152 Ų15276%0.75579%0.792SS**  trans-8.1140.1132.949.80000119.1
841I24.5Very low25.2Very low157 Ų157153.4 Ų153.481%0.80580%0.795SS**  -154.2140123.4-96.3145.8000107.7
842N25.6Very low25.1Very low148 Ų148155.8 Ų155.879%0.79180%0.799SS**  trans-84.4147.1167.5-56.5-40.7000108
843D26.1Very low25.4Very low160 Ų160153.4 Ų153.486%0.85680%0.801SS**  trans-153.6140.7141.9-99.1-37.2000111.4
844E22.5Very low25.2Very low173 Ų173152.6 Ų152.681%0.80880%0.796SS**  trans-78.7149.2171.7-54.3170138.600109.3
845Q26.7Very low25.3Very low193 Ų193150.3 Ų150.390%0.90279%0.793SS**  -174.1164.2125.6-102.5167.957.900114.4
846N23.4Very low25.5Very low145 Ų145150 Ų15078%0.77580%0.796SS**  trans-92.7-164.7-165.8-63.1-64.6000113.3
847T23.9Very low25.5Very low127 Ų127152.6 Ų152.678%0.77980%0.8SS**  trans85.8111.4169.570.80000115.1
848E23.4Very low25.8Very low180 Ų180150.3 Ų150.384%0.84179%0.793SS**  70.595.660.5-69.9-162.7140.900114.5
849T27.1Very low25.7Very low139 Ų139151.7 Ų151.785%0.85380%0.797SS**  trans-177.9113.7133.716.20000107.7
850F21.5Very low25.8Very low170 Ų170152.1 Ų152.175%0.74680%0.801SS**  53104.873.9-119.7-83.9000114.5
851N30.5Very low25.8Very low164 Ų164151 Ų15188%0.87780%0.798SS**  -165.3155128.2-100.8-40.2000114
852K23.8Very low25.7Very low176 Ų176148.2 Ų148.277%0.76579%0.793SS**  trans-105.4150-174.2-64.9167.2171.61730112
853T31.4Very low25.6Very low140 Ų140145.6 Ų145.686%0.85979%0.786SS**  trans-176.7114.7146.727.20000105.3
854L22.2Very low25.5Very low147 Ų147145.8 Ų145.877%0.7779%0.786SS**  cis77.2129.138.5-145.995.2000113.9
855N26.9Very low25.7Very low132 Ų132142.5 Ų142.571%0.70678%0.782SS**  trans76.4141176.6-54-12.3000114.9
856D31.6Very low26.1Very low151 Ų151139 Ų13981%0.80778%0.776SS**  cis-140164.713.1-88.7-55000114.2
857I29.5Very low26.1Very low156 Ų156137.1 Ų137.180%0.878%0.775SS**  trans-119.8128166.5-67.6170.6000105
858P30.7Very low26.1Very low102 Ų102137.7 Ų137.766%0.66278%0.782SS**  -162.8153.186.941.2-19.6000120.5
859K22.7Very low26.3Very low195 Ų195133.7 Ų133.785%0.84877%0.774SS**  trans56.3153.2132.6-65.6174.9177.7174.90122.6
860S23.9Very low26.3Very low117 Ų117132.4 Ų132.482%0.81877%0.77SS**  trans76.6149.1165.189.20000114.1
861S23.4Very low26.5Very low98 Ų98134.7 Ų134.769%0.68578%0.781SS**  cis-156.2176.5-2.432.50000109.5
862S22.4Very low26.7Very low100 Ų100133.6 Ų133.670%0.69978%0.78SS**  trans27.9138.5145.158.90000120.4
863S23.5Very low26.9Very low93 Ų93130.3 Ų130.365%0.6578%0.779SS**  cis173.7174.37.9460000108.3
864L25.2Very low26.7Very low164 Ų164132 Ų13286%0.85978%0.782SS**  trans61.691.4152.7-67.7156.9000118.6
865S25.3Very low26.9Very low103 Ų103129.8 Ų129.872%0.7278%0.779SS**  -83.3178.9122.565.40000109
866P35.7Very low26.7Very low119 Ų119128.2 Ų128.277%0.77378%0.779SS**  cis-125.5163.6-12.538.2-23.8000113
867S24.8Very low26.3Very low107 Ų107125.8 Ų125.875%0.74877%0.773SS**  trans-147.9118.2158.150.40000111.6
868C22.2Very low26.1Very low138 Ų138123 Ų12393%0.93277%0.768SS**  trans-132.3101.6165.7-71.90000105.8
869S27.3Very low25.8Very low97 Ų97123.5 Ų123.568%0.67877%0.773SS**  trans-143151.9-169.350.90000112.8
870S28Very low26.1Very low111 Ų111118.9 Ų118.978%0.77677%0.766SS**  trans76.594156.9-510000118.5
871F25Very low26.6Very low219 Ų219118 Ų11896%0.96176%0.76SS**  trans-73.2151.8145.9-92.4-101.1000110.2
872T36.2Very low26.8Very low140 Ų140118.5 Ų118.586%0.85976%0.763SS**  trans-98.4132.1-173.651.30000113.9
873S28Very low27.3Very low108 Ų108119.1 Ų119.176%0.75577%0.767SS**  trans-115.1166.5155.360.80000110.5
874L26.4Very low27.7Very low174 Ų174119.4 Ų119.491%0.91177%0.77SS**  trans-68145.2-170.5-59.395.6000113.9
875S25.4Very low28Very low102 Ų102116.7 Ų116.771%0.71376%0.764SS**  trans-157.8116.7163.8-26.10000107.7
876S23.3Very low28.4Very low99 Ų99117.2 Ų117.269%0.69277%0.768SS**  69.496.890.977.70000112.4
877S22.7Very low28.1Very low100 Ų100116.4 Ų116.470%0.69977%0.765SS**  90.3150.57567.40000113.6
878S25.4Very low28.2Very low98 Ų98116.8 Ų116.869%0.68577%0.768SS**  trans60.9117.8169.942.80000116.4
879S25.8Very low28.4Very low111 Ų111115.2 Ų115.278%0.77676%0.758SS**  59.2135.157.6890000111.6
880S29.1Very low28.4Very low98 Ų98115.8 Ų115.869%0.68576%0.762SS**  cis-167.6173.624.145.30000111.5
881S32.6Very low28.2Very low100 Ų100114.8 Ų114.870%0.69976%0.761SS**  trans45.4105.1150.558.30000118.7
882S27.9Very low28.3Very low107 Ų107112.1 Ų112.175%0.74876%0.756SS**  -51141.398.164.10000115.6S884S882-S884 VanDerWaalsContact C-N 3.32Å; S882-S884 PolarHBondContact O-N 3.14Å; S882-S884 VanDerWaalsContact O-N 3.12Å
883S33.3Very low28Very low113 Ų113110.3 Ų110.379%0.7975%0.745SS**SBendtrans-71.290.2150.752.30000109.2
884S31.6Very low27.9Very low100 Ų100111.8 Ų111.870%0.69974%0.742SS**  trans47.8111.6156.658.70000120.5S882S882-S884 VanDerWaalsContact C-N 3.32Å; S882-S884 PolarHBondContact O-N 3.14Å; S882-S884 VanDerWaalsContact O-N 3.12Å
885S32.4Very low27.9Very low106 Ų106110.6 Ų110.674%0.74174%0.737SS**  169.5136.3122.842.80000116
886S32.9Very low27.9Very low115 Ų115110 Ų11080%0.80473%0.733SS**  trans63.7162.3161.927.80000120.6
887S29.1Very low28Very low101 Ų101109.9 Ų109.971%0.70673%0.732SS**  cis-173.7155.5-30.654.60000113.3
888S28.3Very low28.2Very low116 Ų116112 Ų11281%0.81173%0.734SS**  trans61.7144.8166.549.80000119.3
889S24.7Very low28.2Very low105 Ų105113.6 Ų113.673%0.73474%0.735SS**  cis-160.2158.2845.60000113.9
890S29Very low28.3Very low109 Ų109114.8 Ų114.876%0.76274%0.74SS**  trans52.9120.7162.455.90000120.2
891A23.3Very low28Very low90 Ų90114.4 Ų114.474%0.74474%0.737SS**  cis90.5139.415.400000118.1
892L27.7Very low27.6Very low163 Ų163115.6 Ų115.685%0.85374%0.741SS**  trans85.9149176.7-49.4176.7000116.6
893T28.2Very low27.4Very low102 Ų102116.2 Ų116.263%0.62674%0.743SS**  cis-171.8139.9-13.927.40000113
894I26.2Very low27Very low138 Ų138118.7 Ų118.771%0.70875%0.747SS**  71.2146.3124.7-61.5171.1000123.9
895D26.2Very low26.6Very low150 Ų150119.2 Ų119.280%0.80275%0.75SS**  trans70.2152.6156.7-80.7-5.7000122.5
896S26.9Very low26.3Very low88 Ų88117.5 Ų117.562%0.61575%0.75SS**  cis-168.5168.5-21.754.80000112.4
897S24Very low26.1Very low97 Ų97118.2 Ų118.268%0.67875%0.75SS**  trans-39.9157.516448.90000118.1
898I27.1Very low25.8Very low144 Ų144119.8 Ų119.874%0.73875%0.749SS**  166.8135.9120.5-85.5158.5000113.4
899N26Very low25.6Very low132 Ų132125.5 Ų125.571%0.70675%0.753SS**  trans51.3121.2160.1-65.8-12.9000123.3
900P26.5Very low25.6Very low136 Ų136125 Ų12588%0.88375%0.75SS**  trans-91.3116.7142.233.3-24.9000110.8
901S24.4Very low25.4Very low90 Ų90127.7 Ų127.763%0.62976%0.756SS**  trans-130.5139.6173.956.90000111.6
902T24.2Very low25.8Very low126 Ų126129.3 Ų129.377%0.77376%0.762SS**  trans56.6113.3161.254.60000117.4
903C22.7Very low25.6Very low119 Ų119131.1 Ų131.180%0.80476%0.763SS**  62.596.559.3-58.70000115.5
904L24.6Very low25.3Very low166 Ų166131.2 Ų131.287%0.86977%0.767SS**  trans-152.2122.1140.8-81177.6000105.4
905S24.5Very low25.2Very low110 Ų110130.3 Ų130.377%0.76977%0.768SS**  cis84.595.421.189.90000116.3
906G26.4Very low25.1Very low71 Ų71129.7 Ų129.773%0.73277%0.769SS**  trans151.6127.6174.900000108.3
907T27.8Very low25.1Very low130 Ų130133 Ų13380%0.79878%0.779SS**  cis-158.2157.513.3-31.60000109.6
908L23.7Very low25.1Very low134 Ų134135.7 Ų135.770%0.70278%0.78SS**  trans68.3144.4171.8-50.6153.8000115.4
909W23.9Very low25Very low235 Ų235135.2 Ų135.289%0.8978%0.779SS**  cis-172.3153.4-24.4-106.8-15.2000106.2
910S25.1Very low25.1Very low94 Ų94136.8 Ų136.866%0.65779%0.786SS**  cis-168.8145.9-10.156.10000110.2
911N23.3Very low25.3Very low167 Ų167137.6 Ų137.689%0.89378%0.781SS**  trans27106.8164.2-74.1-11.1000120
912S32.3Very low25.5Very low124 Ų124139.8 Ų139.887%0.86779%0.791SS**  trans-168.7148.6137.350.80000114.1
913K23.6Very low25.8Very low201 Ų201140.6 Ų140.687%0.87479%0.791SS**  trans-67.1139.2171.5-65.4163.2178.2177.60109
914S22Very low26.3Very low103 Ų103141.7 Ų141.772%0.7279%0.793SS**  68.3139.562-166.60000114.9
915T24.9Very low26.6Very low120 Ų120141.5 Ų141.574%0.73679%0.793SS**  trans84.9120.6171.364.80000120.2
916V22.2Very low26.9Very low136 Ų136146 Ų14682%0.82480%0.799SS**  trans75.5124.3137.8175.10000115.2
917I28.3Very low26.9Very low158 Ų158150.5 Ų150.581%0.8181%0.805SS**  cis-141.2158.432.2-54.5170.5000112.5
918H22.6Very low27.2Very low154 Ų154154.1 Ų154.171%0.71381%0.81SS**  trans-50.7156.2163.1-99.8-94.4000118
919N25.4Very low27.5Very low134 Ų134156.5 Ų156.572%0.71782%0.818SS**  trans63.8151.7140.9-67.31000122.5
920I28.3Very low27.6Very low164 Ų164153.3 Ų153.384%0.84182%0.817SS**  trans84.195.2-179.8-50.5159.6000110.1
921I31Very low27.6Very low153 Ų153160 Ų16079%0.78583%0.828SS**  -140.3126.851.9-67.8155.5000112
922T28.7Very low27.9Very low136 Ų136159.4 Ų159.483%0.83482%0.823SS**  trans-106.999.4160.446.10000109.3
923N30.5Very low27.6Very low144 Ų144160.2 Ų160.277%0.7782%0.818SS**  trans-164.739.3164.1-131.2-10.2000119.7
924V32.7Very low27.8Very low142 Ų142157.6 Ų157.686%0.86181%0.812SS**SBendtrans-142.553.4167.8-156.70000114
925D32Very low28.1Very low162 Ų162161.7 Ų161.787%0.86682%0.819SS**  trans-130.47.3172.7-87.5-48.2000114.9
926K29.4Very low28.3Very low203 Ų203163.3 Ų163.388%0.88382%0.824SS**  trans-105.465.7175.4-73.8-170.5175.7-177.20112.6
927L27.4Very low28.5Very low167 Ų167160.7 Ų160.787%0.87481%0.811SS**SBendtrans-155.824.9167.5-114.8171.4000115.4
928K33.1Very low28.5Very low206 Ų206163.4 Ų163.490%0.89681%0.811SS**SBendtrans-130.951.2176-73.1-171.9176.5177.50113.4
929Q30.1Very low28.8Very low184 Ų184166.6 Ų166.686%0.8682%0.819SS**  trans-15259.5176.9-157.8101.345.400114
930L27.3Very low29.2Very low168 Ų168168 Ų16888%0.8882%0.821SS**  trans-138.1115.1153.5-77.5-178.8000109.1
931R25.6Very low29.3Very low234 Ų234167 Ų16788%0.88382%0.817SS**  trans-135.5119.5176.8-162.1-170-1401744.1104.1
932I27.7Very low29.5Very low154 Ų154167.7 Ų167.779%0.7982%0.823SS**  trans-133.9139.5177.6-62.5-178.7000106.8
933D27.8Very low29.6Very low142 Ų142168.7 Ų168.776%0.75982%0.818SS**  trans-88.1158.5-153.5-58.1-67.9000115.1
934I27.3Very low29.8Very low146 Ų146169.7 Ų169.775%0.74982%0.823SS**  trans-95.4128.2171.4-63.3165.1000107.6
935Q28Very low29.5Very low188 Ų188170.1 Ų170.188%0.87982%0.816SS**  trans-115.898.8163.2-78.1-157-8.400110
936D28.2Very low29.5Very low154 Ų154170.4 Ų170.482%0.82481%0.81SS**  trans-90131.5157-78.8-50.7000108.6
937S27.8Very low29.4Very low81 Ų81168.2 Ų168.257%0.56680%0.802SS**  trans-135.1123.2176102.20000111.9
938R28.3Very low29.4Very low215 Ų215165.8 Ų165.881%0.81179%0.794SS**  trans71.487.1157.1-67171.7-77.8-167.3-3116.8
939Y27.8Very low29.2Very low222 Ų222163 Ų16387%0.87179%0.789SS**  trans-67.3144.2138.2-122.8-108.3000108.8
940E35.4Very low29Very low163 Ų163159.6 Ų159.676%0.76279%0.785SS**  trans-122.4144163.7-76.9-70.3160.800107.6
941D29.2Very low28.9Very low143 Ų143161.3 Ų161.377%0.76579%0.786SS**  trans-85.2143-173.9-64.6-56.9000111.8
942D34.7Very low29.1Very low168 Ų168156.2 Ų156.290%0.89878%0.781SS**  trans-142.8103.2155.1-105.1-37.9000108.6
943E30.6Very low29Very low157 Ų157154.7 Ų154.773%0.73478%0.778SS**  trans-65140167.2-73.2-160154.400109.8
944N34.5Very low28.9Very low165 Ų165153.6 Ų153.688%0.88278%0.779SS**  trans-149.7139.1137.3-110.9-60.6000113
945Q27.6Very low29Very low150 Ų150152.2 Ų152.270%0.70178%0.783SS**  trans-86.5144.8-169.5-56.6165.14.200110.6
946K31.1Very low28.8Very low169 Ų169150.1 Ų150.174%0.73578%0.782SS**  168.3146.1117.4-94.3169.6174.4-164.90114.4
947E28.6Very low28.7Very low157 Ų157150.9 Ų150.973%0.73479%0.785SS**  trans57.1134144.8-65.8162-144.400119.2
948V27.8Very low28.6Very low116 Ų116152.4 Ų152.470%0.70380%0.796SS**  cis173.4150.8-18.5128.10000104.3
949N28.4Very low28.8Very low146 Ų146148 Ų14878%0.78180%0.795SS**  trans66.587.3172-64.5-18.3000118.7
950S26.1Very low28.6Very low113 Ų113148.3 Ų148.379%0.7980%0.796SS**PPolyproline II helixtrans-101.2133.6143.253.80000109.7
951F24.3Very low28Very low205 Ų205146.1 Ų146.190%0.89980%0.799SS**PPolyproline II helixtrans-82.4128.4-179.1-115.4-105000110.4
952V30.3Very low27.8Very low126 Ų126145.6 Ų145.676%0.76480%0.803SS**PPolyproline II helixtrans-87.8132.7-174.7175.50000111.6
953V25.3Very low27.3Very low122 Ų122145.8 Ų145.874%0.73980%0.802SS**PPolyproline II helixtrans-78.6128.31721780000109.8S955V953-S955 PolarHBondContact O-N 3.46Å
954P26.6Very low27Very low120 Ų120147.1 Ų147.178%0.77981%0.809SS**PPolyproline II helixtrans-72.9123.4-179.8-16.130.6000112.6
955S28Very low26.5Very low117 Ų117145.1 Ų145.182%0.81881%0.805SS**PPolyproline II helixtrans-93.2142.4176-66.90000112.3V953V953-S955 PolarHBondContact O-N 3.46Å
956V24.3Very low26.4Very low143 Ų143144.6 Ų144.687%0.86781%0.812SS**PPolyproline II helixtrans-81.9125.7-176.3179.10000111.3
957L26.9Very low26.5Very low170 Ų170142.2 Ų142.289%0.8981%0.814SS**  trans-134.2143164.7-81.5173.1000110.9
958S24.5Very low26.5Very low113 Ų113140.5 Ų140.579%0.7982%0.816SS**  trans-90.9163.5-175.852.10000112.9
959P32.7Very low26.2Very low122 Ų122141.4 Ų141.479%0.79283%0.826SS**  trans-103.7161.3-151.138.7-36.1000116.1
960Y23.4Very low26.2Very low230 Ų230139.7 Ų139.790%0.90283%0.826SS**  trans-143.2123.3165.6-97.9-91.1000110.9
961S23.5Very low26.8Very low117 Ų117139.5 Ų139.582%0.81882%0.822SS**  trans152.5134.3138.7-70.50000112.6
962P24.6Very low26.8Very low131 Ų131138 Ų13885%0.85182%0.823SS**  trans-99.3153.7-177.237.6-33.5000114.1
963I25.3Very low26.3Very low172 Ų172141.4 Ų141.488%0.88283%0.828SS**  trans-123.7144.6176.4-68.5174.6000110.2
964Q22.9Very low26.3Very low186 Ų186141.6 Ų141.687%0.86984%0.835SS**  trans-78.1151-176.5-70.5177.1-76.400114.3
965P24.5Very low26.1Very low122 Ų122141.2 Ų141.279%0.79284%0.835SS**  trans-99156.2169.137.5-32.7000113.8
966T26.3Very low26Very low139 Ų139141 Ų14185%0.85383%0.834SS**  trans-119.4160166.6430000111.7
967P31.6Very low26Very low119 Ų119140.4 Ų140.477%0.77383%0.83SS**  trans-103.6175.5-155.540.6-35.3000115.2
968P30Very low25.8Very low121 Ų121137.1 Ų137.179%0.78682%0.822SS**  trans-101.3158.9-160.538.5-34.9000115.8
969C20.9Very low26Very low135 Ų135139 Ų13991%0.91282%0.822SS**  trans-95.5150164.2-68.50000112
970S27.6Very low25.6Very low111 Ų111138.2 Ų138.278%0.77682%0.82SS**  trans-152.4-174.2173.457.20000108.7
971P38.5Very low26Very low109 Ų109133 Ų13371%0.70881%0.814SS**  -114.3174.7-73.938.3-27.7000111.7
972N24.5Very low26Very low172 Ų172133.1 Ų133.192%0.9282%0.815SS**  trans-149.1141.3161.3-106-31.7000113.1
973F21.3Very low25.9Very low198 Ų198131.8 Ų131.887%0.86881%0.808SS**  trans-83.2151.8177.7-88.8-107.6000112
974S25.5Very low25.9Very low127 Ų127129 Ų12989%0.88880%0.8SS**  trans-176.3153.5132.3-830000112.2
975S20.6Very low25.8Very low112 Ų112127.3 Ų127.378%0.78380%0.795SS**  trans-135.8131.1-169.155.40000113.3
976S27.5Very low26Very low113 Ų113128.1 Ų128.179%0.7980%0.798SS**  trans-176.9111.3160.851.70000107.9
977T23Very low25.8Very low129 Ų129129.1 Ų129.179%0.79180%0.797SS**  79.9113.252.1-43.70000114.6
978S23.8Very low25.5Very low102 Ų102129 Ų12971%0.71380%0.796SS**  trans105.6149.3144.881.10000122.6
979L27.5Very low25.3Very low151 Ų151130.9 Ų130.979%0.79180%0.795SS**  trans87.480.3156-59.8171000121.6
980S25.4Very low25.5Very low107 Ų107131.5 Ų131.575%0.74879%0.789SS**  38.4148.2118.157.90000124.1
981P32Very low25.3Very low121 Ų121129.6 Ų129.679%0.78679%0.787SS**  trans-103.5160.7-172.441.3-36.4000116.6
982S23Very low24.6Very low119 Ų119130 Ų13083%0.83279%0.792SS**  trans-172.9153.9163.6-77.20000107.4
983S22.3Very low24.6Very low102 Ų102131.3 Ų131.371%0.71379%0.79SS**  cis-172-177.9-11.454.50000108.4
984T24.4Very low24.6Very low114 Ų114127.2 Ų127.270%0.69979%0.786SS**  trans83.891.4152.8-43.10000120.3
985I21.5Very low24.5Very low151 Ų151131 Ų13177%0.77479%0.787SS**  39.9121.3117.9-57.4165.2000119.1
986T28.2Very low24.8Very low139 Ų139134.8 Ų134.885%0.85379%0.789SS**  -163.6135.1125.56.90000112.8
987L22.7Very low24.6Very low159 Ų159134.6 Ų134.683%0.83279%0.787SS**  trans-91149.5163.9-126.273.1000107.8
988P26.1Very low24.6Very low117 Ų117137.5 Ų137.576%0.7679%0.792SS**  -152.4147.291.537.4-18.8000117.8
989Q24.5Very low24.9Very low160 Ų160137.8 Ų137.875%0.74879%0.792SS**  trans36133.3137.3-69.7-172.8-6.100124.2
990N25.5Very low24.8Very low149 Ų149139 Ų13980%0.79779%0.793SS**  trans79.9116.6139.5-63.2-15.6000121.3
991G23Very low24.8Very low71 Ų71143.3 Ų143.373%0.73280%0.801SS**  121.4111.6122.100000117.9
992S23.9Very low24.4Very low117 Ų117146.6 Ų146.682%0.81881%0.806SS**  trans67.585.3144.2-56.20000120.2
993K24.5Very low24.6Very low200 Ų200149.7 Ų149.787%0.8781%0.807SS**  50.7128.2121.5-65.7179.7177.1178.80121
994S22.1Very low24.8Very low112 Ų112149.8 Ų149.878%0.78381%0.808SS**  trans62.791.7150.7580000118.8
995F23.1Very low25Very low207 Ų207150.7 Ų150.791%0.90881%0.814SS**  trans-135.7158156.5-108.4-90.5000109.8
996K26.8Very low25.3Very low191 Ų191149.3 Ų149.383%0.8382%0.817SS**  trans74.8121.6-169.9-56.8-176.1177.7-177.70113.9
997S22.4Very low25.3Very low108 Ų108150.5 Ų150.576%0.75582%0.815SS**  cis78.1109.318.794.80000116.9
998Q24.4Very low25.5Very low190 Ų190149 Ų14989%0.88881%0.813SS**  trans76.7151.9166-82.1-165.9-25.900119.5
999P29.2Very low25.5Very low109 Ų109151.4 Ų151.471%0.70882%0.819SS**  -132.9-164.3-127.938.3-17.6000115.7
1000Q25.9Very low25.4Very low177 Ų177149 Ų14983%0.82782%0.821SS**  trans81.581.5167.6-61.3-174.7-6.100118.5
1001H25.3Very low25.4Very low197 Ų197148.3 Ų148.391%0.91283%0.825SS**  -161.8106.7120.3-115.1-77.4000109.6
1002Q24.5Very low25.5Very low189 Ų189155.2 Ų155.288%0.88383%0.831SS**  trans-144128.5172.3-81-171-4.800110
1003Q27.1Very low25.7Very low184 Ų184156.6 Ų156.686%0.8683%0.829SS**  trans159.487.3142.4-90.1176.29.700106.1
1004S26.4Very low26Very low105 Ų105158.6 Ų158.673%0.73483%0.831SS**  87.610477.565.20000111.3
1005T28Very low26.3Very low133 Ų133159.6 Ų159.682%0.81683%0.828SS**  trans-44.9130.2172.445.50000113.2M1007T1005-M1007 PolarHBondContact O-N 2.8Å
1006S26.9Very low26.7Very low122 Ų122159.4 Ų159.485%0.85383%0.83SS**  trans-63.8112.3173.452.60000111.6
1007M28.8Very low27Very low163 Ų163156.2 Ų156.280%0.80383%0.827SS**  trans-88.6124.1163.8-66-160.782.200110T1005 N1009T1005-M1007 PolarHBondContact O-N 2.8Å; M1007-N1009 PolarHBondContact O-N 2.63Å
1008T26.3Very low27.5Very low127 Ų127157.4 Ų157.478%0.77984%0.835SS**  trans4.7104.8151.4540000116.8
1009N27.8Very low27.6Very low168 Ų168152 Ų15290%0.89883%0.83SS**  trans-133.3114148.7-103.1-29000109.2M1007M1007-N1009 PolarHBondContact O-N 2.63Å
1010S22.7Very low27.6Very low111 Ų111149.8 Ų149.878%0.77683%0.827SS**  trans-81.9116.2-179.957.40000110.8
1011C24.3Very low28Very low133 Ų133152.2 Ų152.290%0.89983%0.829SS**  trans-148.457.3163.1-870000109
1012Y26.1Very low28.6Very low217 Ų217149.7 Ų149.785%0.85182%0.821SS**  trans-86.4153.6169.6-93.1-85.8000110.8
1013N28.1Very low29.2Very low145 Ų145147.8 Ų147.878%0.77582%0.817SS**  trans69.885.4169.2-56.1-12.6000115.7
1014R29.3Very low29.9Very low242 Ų242145.6 Ų145.691%0.91381%0.811SS**  trans-96.8133.4138.3-113.2-175.5174.4-176.9-1.8107.9
1015D29Very low30.5Very low134 Ų134143.5 Ų143.572%0.71779%0.787SS**  trans-56126.3-161.8-48.7-73.9000114.9T1017D1015-T1017 HydrophobicContact CB-CG2 4.39Å; D1015-T1017 PolarHBondContact O-N 2.85Å
1016E30.9Very low31.2Very low202 Ų202140.9 Ų140.994%0.94477%0.772SS**  trans-68.684.3158.2-74.8-162142.300108.9
1017T34.5Very low31.7Very low125 Ų125140.7 Ų140.777%0.76777%0.768SS**  trans-77.2123.5170.729.10000109.7D1015 G1019D1015-T1017 HydrophobicContact CB-CG2 4.39Å; D1015-T1017 PolarHBondContact O-N 2.85Å; T1017-G1019 PolarHBondContact O-N 2.87Å
1018S32.6Very low32.3Very low132 Ų132134.3 Ų134.392%0.92374%0.738SS**  trans-67.893.4-17736.40000112.2
1019G27Very low33.3Very low76 Ų76132.7 Ų132.778%0.78473%0.73SS**  trans-173.3109172.700000115T1017T1017-G1019 PolarHBondContact O-N 2.87Å
1020G28Very low33.9Very low64 Ų64128.7 Ų128.766%0.6671%0.708SS**  trans114.862157.600000118.1
1021W35.7Very low34.9Very low228 Ų228125.4 Ų125.486%0.86468%0.682SS**  trans-125.515.8167.3-80.877.3000114.6
1022I37.8Very low36.1Very low143 Ų143125.3 Ų125.373%0.73366%0.662SS**SBendtrans-79.9-25.5176.4-55.5176.5000111.3N1024 R1025I1022-N1024 PolarHBondContact O-N 2.77Å; I1022-R1025 WeakPolarHBondContact O-CB 3.49Å; I1022-R1025 PolarHBondContact O-N 2.72Å
1023N36.9Very low37.4Very low150 Ų150116.5 Ų116.580%0.80263%0.627SS**THydrogen-bonded Turntrans-79.6-7.6-166.5-643.9000115.9
1024N41Very low38.6Very low137 Ų137113.2 Ų113.273%0.73362%0.616SS**THydrogen-bonded Turntrans-99.93.9176.3-70.3-14.5000112.9I1022I1022-N1024 PolarHBondContact O-N 2.77Å
1025R39.8Very low39.9Very low62 Ų62106.1 Ų106.123%0.23459%0.593CS.*SBendtrans-78.8122.2179-171.7155.9-175-100.35.6109.1I1022 T1028 D1247I1022-R1025 WeakPolarHBondContact O-CB 3.49Å; I1022-R1025 PolarHBondContact O-N 2.72Å; R1025-T1028 PolarHBondContact NH1-OG1 2.77Å; R1025-T1028 PolarHBondContact NH2-OG1 2.82Å; R1025-D1247 IonicContact CZ-OD1 2.64Å; R1025-D1247 IonicContact CZ-OD2 3.46Å; R1025-D1247 VanDerWaalsContact NH1-CG 3.32Å; R1025-D1247 IonicContact NH1-OD1 2.67Å; R1025-D1247 PolarHBondContact NH1-OD1 2.98Å; R1025-D1247 IonicContact NH1-OD2 3.33Å; R1025-D1247 PolarHBondContact NH1-OD2 2.98Å; R1025-D1247 IonicContact NH2-OD1 2.7Å; R1025-D1247 PolarHBondContact NH2-OD1 2.94Å; R1025-D1247 IonicContact NH2-OD2 3.62Å
1026P42.5Very low41.8Very low78 Ų78100.3 Ų100.351%0.50656%0.562SS.*  trans-58.5130.4162.627.2-32000106.3T1028P1026-T1028 PolarHBondContact O-N 3.41Å
1027P37.5Very low43.9Very low118 Ų11893.3 Ų93.377%0.76653%0.531SS*.  trans-60.8110.4-178.924.3-32.6000107.9
1028T40.6Very low45.8Very low29 Ų2987.6 Ų87.618%0.17850%0.496CS..  trans-52.2129.3146.648.40000104.5R1025 P1026 D1030 I1244R1025-T1028 PolarHBondContact NH1-OG1 2.77Å; R1025-T1028 PolarHBondContact NH2-OG1 2.82Å; P1026-T1028 PolarHBondContact O-N 3.41Å; T1028-D1030 PolarHBondContact O-N 3.47Å; T1028-I1244 HydrophobicContact CG2-CG2 3.89Å
1029P47Very low47.7Very low93 Ų9384.5 Ų84.560%0.60448%0.478SS*.  trans-50.8125.4175.824.4-34000106.2I1031P1029-I1031 HydrophobicContact CB-CD1 4.14Å; P1029-I1031 HydrophobicContact CB-CG1 3.97Å; P1029-I1031 HydrophobicContact CG-CD1 3.87Å; P1029-I1031 HydrophobicContact CG-CG1 4.18Å; P1029-I1031 PolarHBondContact O-N 2.88Å
1030D40.8Very low50Low84 Ų8487.5 Ų87.545%0.44948%0.476SS..  trans-7859-168.4-164.49.2000109.1T1028 R1032T1028-D1030 PolarHBondContact O-N 3.47Å; D1030-R1032 PolarHBondContact O-N 3.5Å
1031I44.6Very low52.5Low41 Ų4185 Ų8521%0.2145%0.448CS..  trans-72.671.2178.3-51.7169.9000106.1P1029 R1033 L1036 P1246P1029-I1031 HydrophobicContact CB-CD1 4.14Å; P1029-I1031 HydrophobicContact CB-CG1 3.97Å; P1029-I1031 HydrophobicContact CG-CD1 3.87Å; P1029-I1031 HydrophobicContact CG-CG1 4.18Å; P1029-I1031 PolarHBondContact O-N 2.88Å; I1031-R1033 PolarHBondContact O-N 2.94Å; I1031-L1036 HydrophobicContact CG2-CB 4.03Å; I1031-L1036 HydrophobicContact CG2-CD1 4.29Å; I1031-P1246 WeakPolarHBondContact O-CB 3.42Å; I1031-P1246 WeakPolarHBondContact O-CG 3.47Å
1032R47.9Very low54.6Low131 Ų13177.4 Ų77.449%0.49443%0.43SS..  trans-49.1136.3151.9-57.5-161.7-61.6169.8-3.2105.5D1030 S1034 E1035 Y1248D1030-R1032 PolarHBondContact O-N 3.5Å; R1032-S1034 PolarHBondContact O-N 2.92Å; R1032-E1035 HydrophobicContact CB-CG 4.43Å; R1032-E1035 IonicContact CZ-OE1 3.6Å; R1032-E1035 IonicContact NE-OE1 3.61Å; R1032-E1035 PolarHBondContact NE-OE1 2.81Å; R1032-E1035 IonicContact NH2-OE1 3.52Å; R1032-E1035 PolarHBondContact NH2-OE1 3.16Å; R1032-E1035 WeakPolarHBondContact O-CA 3.01Å; R1032-E1035 WeakPolarHBondContact O-CB 3.48Å; R1032-E1035 PolarHBondContact O-N 2.76Å; R1032-Y1248 HydrophobicContact CG-CD2 4.14Å
1033R55.1Low56.7Low32 Ų3275 Ų7512%0.12142%0.418CS..G310 helixtrans-47.6-41.8-170-70.7-166.7-177.682.89.8113.7I1031 E1035 L1036 V1171 T1250I1031-R1033 PolarHBondContact O-N 2.94Å; R1033-E1035 PolarHBondContact O-N 2.78Å; R1033-E1035 VanDerWaalsContact O-N 3.11Å; R1033-L1036 PolarHBondContact O-N 2.85Å; R1033-V1171 CarbonylContact C-O 3.59Å; R1033-V1171 WeakPolarHBondContact O-CG1 3.29Å; R1033-T1250 PolarHBondContact NH1-O 2.89Å; R1033-T1250 PolarHBondContact NH1-OG1 2.84Å; R1033-T1250 PolarHBondContact NH2-O 2.85Å
1034S52.9Low59.1Low76 Ų7669.5 Ų69.553%0.53140%0.397SS..G310 helixtrans-51.9-28.217542.80000115.9R1032R1032-S1034 PolarHBondContact O-N 2.92Å
1035E55.2Low61.3Low93 Ų9363.9 Ų63.944%0.43537%0.368SS..G310 helixtrans-99.36.5-172.6-60.9175.5-146.900113.1R1032 R1033 D1037R1032-E1035 HydrophobicContact CB-CG 4.43Å; R1032-E1035 IonicContact CZ-OE1 3.6Å; R1032-E1035 IonicContact NE-OE1 3.61Å; R1032-E1035 PolarHBondContact NE-OE1 2.81Å; R1032-E1035 IonicContact NH2-OE1 3.52Å; R1032-E1035 PolarHBondContact NH2-OE1 3.16Å; R1032-E1035 WeakPolarHBondContact O-CA 3.01Å; R1032-E1035 WeakPolarHBondContact O-CB 3.48Å; R1032-E1035 PolarHBondContact O-N 2.76Å; R1033-E1035 PolarHBondContact O-N 2.78Å; R1033-E1035 VanDerWaalsContact O-N 3.11Å; E1035-D1037 VanDerWaalsContact C-N 3.33Å; E1035-D1037 PolarHBondContact O-N 3.22Å
1036L70.1Confident63.8Low12 Ų1264.8 Ų64.86%0.06337%0.371CS..  trans-6796.7162.1-174.770.8000108I1031 R1033 L1038 L1041 V1170 V1171I1031-L1036 HydrophobicContact CG2-CB 4.03Å; I1031-L1036 HydrophobicContact CG2-CD1 4.29Å; R1033-L1036 PolarHBondContact O-N 2.85Å; L1036-L1038 PolarHBondContact O-N 3.24Å; L1036-L1041 HydrophobicContact CD1-CD2 4.26Å; L1036-L1041 HydrophobicContact CD2-CD1 4.34Å; L1036-L1041 HydrophobicContact CG-CD1 4.48Å; L1036-V1170 HydrophobicContact CD2-CG1 4.45Å; L1036-V1171 HydrophobicContact CB-CG1 4.26Å; L1036-V1171 HydrophobicContact CB-CG2 4.5Å; L1036-V1171 VanDerWaalsContact O-CG2 3.23Å; L1036-V1171 WeakPolarHBondContact O-CG2 3.18Å
1037D74.2Confident66.1Low56 Ų5661 Ų6130%0.29935%0.347SS..  trans-70.7128.6178.6-156.1-28.1000109.9E1035 A1039 D1040 N1077E1035-D1037 VanDerWaalsContact C-N 3.33Å; E1035-D1037 PolarHBondContact O-N 3.22Å; D1037-A1039 PolarHBondContact O-N 3.4Å; D1037-A1039 WeakPolarHBondContact OD1-CB 3.48Å; D1037-A1039 PolarHBondContact OD1-N 2.8Å; D1037-D1040 PolarHBondContact O-N 3.23Å; D1037-N1077 PolarHBondContact OD1-ND2 2.84Å; D1037-N1077 VanDerWaalsContact OD1-ND2 3.17Å; D1037-N1077 PolarHBondContact OD1-OD1 3.44Å; D1037-N1077 PolarHBondContact OD2-ND2 2.88Å
1038L75.1Confident68.7Low4 Ų455.4 Ų55.42%0.02131%0.31CS..THydrogen-bonded Turntrans-71.2-21.2177.7-66.2175.1000111.4L1036 D1040 L1041 L1080 R1081 F1085 V1170 V1171L1036-L1038 PolarHBondContact O-N 3.24Å; L1038-D1040 VanDerWaalsContact C-N 3.33Å; L1038-L1041 HydrophobicContact CD2-CD1 3.71Å; L1038-L1041 PolarHBondContact O-N 2.85Å; L1038-L1080 HydrophobicContact CB-CB 3.86Å; L1038-L1080 HydrophobicContact CB-CD1 3.92Å; L1038-L1080 HydrophobicContact CD1-CB 3.78Å; L1038-L1080 HydrophobicContact CG-CB 4.5Å; L1038-R1081 HydrophobicContact CD1-CG 4.15Å; L1038-F1085 HydrophobicContact CD2-CE2 4.48Å; L1038-F1085 HydrophobicContact CD2-CZ 4.35Å; L1038-V1170 HydrophobicContact CD2-CB 4.27Å; L1038-V1170 HydrophobicContact CD2-CG1 4.23Å; L1038-V1171 HydrophobicContact CD1-CG2 4.2Å; L1038-V1171 HydrophobicContact CD2-CG2 3.59Å; L1038-V1171 HydrophobicContact CG-CG2 3.71Å
1039A72.9Confident71.1Confident67 Ų6754.1 Ų54.155%0.55430%0.302SS*.THydrogen-bonded Turntrans-68.4-29.4175.900000113.2D1037 L1041 L1080D1037-A1039 PolarHBondContact O-N 3.4Å; D1037-A1039 WeakPolarHBondContact OD1-CB 3.48Å; D1037-A1039 PolarHBondContact OD1-N 2.8Å; A1039-L1041 VanDerWaalsContact C-N 3.34Å; A1039-L1080 HydrophobicContact CB-CD1 4.46Å
1040D75.3Confident73Confident140 Ų14050 Ų5075%0.74928%0.275SS*.SBendtrans-83.4-10.4179.1-71.3-19.9000112.8D1037 L1038 S1042D1037-D1040 PolarHBondContact O-N 3.23Å; L1038-D1040 VanDerWaalsContact C-N 3.33Å; D1040-S1042 PolarHBondContact O-N 3.08Å
1041L79.6Confident74.9Confident11 Ų1147.4 Ų47.46%0.05826%0.26CS..  trans-82.6108.3-179.4-63.2179.2000111.9L1036 L1038 A1039 T1045 L1060 V1170L1036-L1041 HydrophobicContact CD1-CD2 4.26Å; L1036-L1041 HydrophobicContact CD2-CD1 4.34Å; L1036-L1041 HydrophobicContact CG-CD1 4.48Å; L1038-L1041 HydrophobicContact CD2-CD1 3.71Å; L1038-L1041 PolarHBondContact O-N 2.85Å; A1039-L1041 VanDerWaalsContact C-N 3.34Å; L1041-T1045 HydrophobicContact CD2-CG2 4Å; L1041-L1060 HydrophobicContact CB-CD2 3.81Å; L1041-L1060 HydrophobicContact CD1-CD2 3.81Å; L1041-L1060 HydrophobicContact CD2-CD2 4.41Å; L1041-L1060 HydrophobicContact CG-CD2 4.23Å; L1041-V1170 HydrophobicContact CD1-CG1 4.05Å
1042S80.4Confident76.2Confident69 Ų6948.5 Ų48.548%0.48327%0.267SS..  trans-86.6159.2174.7680000113.6D1040 G1044 T1045D1040-S1042 PolarHBondContact O-N 3.08Å; S1042-G1044 PolarHBondContact O-N 3.11Å; S1042-T1045 PolarHBondContact N-OG1 2.85Å; S1042-T1045 VanDerWaalsContact N-OG1 3.07Å; S1042-T1045 WeakPolarHBondContact O-CB 3.31Å; S1042-T1045 PolarHBondContact O-N 3.41Å; S1042-T1045 VanDerWaalsContact O-N 3.1Å; S1042-T1045 PolarHBondContact O-OG1 2.8Å; S1042-T1045 PolarHBondContact OG-OG1 3.48Å
1043D82.3Confident77.6Confident92 Ų9244.2 Ų44.249%0.49226%0.255SS..THydrogen-bonded Turntrans-62.7123.8172.8-166.244.8000110.5Y1061 L1062D1043-Y1061 WeakPolarHBondContact OD1-CA 3.48Å; D1043-Y1061 WeakPolarHBondContact OD1-CD1 3.4Å; D1043-L1062 HydrophobicContact CB-CB 4.49Å; D1043-L1062 PolarHBondContact OD1-N 3.22Å
1044G85.5Confident79Confident35 Ų3545.4 Ų45.436%0.36126%0.26SS..THydrogen-bonded Turntrans93.83-172.700000115.5S1042 R1046 L1060S1042-G1044 PolarHBondContact O-N 3.11Å; G1044-R1046 PolarHBondContact O-N 2.75Å; G1044-L1060 WeakPolarHBondContact CA-O 3.5Å; G1044-L1060 PolarHBondContact N-O 2.73Å
1045T88.9Confident80.8Confident19 Ų1941.9 Ų41.912%0.11724%0.235CC..  trans-60.9134.9178.6-59.50000111.8L1041 S1042 V1047 L1060 L1176L1041-T1045 HydrophobicContact CD2-CG2 4Å; S1042-T1045 PolarHBondContact N-OG1 2.85Å; S1042-T1045 VanDerWaalsContact N-OG1 3.07Å; S1042-T1045 WeakPolarHBondContact O-CB 3.31Å; S1042-T1045 PolarHBondContact O-N 3.41Å; S1042-T1045 VanDerWaalsContact O-N 3.1Å; S1042-T1045 PolarHBondContact O-OG1 2.8Å; S1042-T1045 PolarHBondContact OG-OG1 3.48Å; T1045-V1047 HydrophobicContact CG2-CG1 4.38Å; T1045-L1060 WeakPolarHBondContact O-CB 3.43Å; T1045-L1060 PolarHBondContact O-N 2.87Å; T1045-L1176 HydrophobicContact CG2-CD1 3.57Å
1046R91.3Very high82.4Confident80 Ų8038.3 Ų38.330%0.30222%0.218SC..EExtended strand (participates in β ladder)trans-83.1126.4178.4-71.1-69.4-63.2-172.6-4.1111.1G1044 D1090 E1177G1044-R1046 PolarHBondContact O-N 2.75Å; R1046-D1090 IonicContact CZ-OD1 3.33Å; R1046-D1090 IonicContact CZ-OD2 2.64Å; R1046-D1090 VanDerWaalsContact CZ-OD2 3.31Å; R1046-D1090 VanDerWaalsContact NH1-CG 3.31Å; R1046-D1090 IonicContact NH1-OD1 2.65Å; R1046-D1090 PolarHBondContact NH1-OD1 2.84Å; R1046-D1090 IonicContact NH1-OD2 3.88Å; R1046-D1090 PolarHBondContact NH1-OD2 3.42Å; R1046-D1090 IonicContact NH2-OD1 2.65Å; R1046-D1090 IonicContact NH2-OD2 2.67Å; R1046-D1090 PolarHBondContact NH2-OD2 3.29Å; R1046-E1177 HydrophobicContact CB-CB 3.95Å; R1046-E1177 IonicContact CZ-OE2 2.88Å; R1046-E1177 IonicContact NE-OE2 3.83Å; R1046-E1177 PolarHBondContact NE-OE2 2.95Å; R1046-E1177 IonicContact NH2-OE1 3.41Å; R1046-E1177 IonicContact NH2-OE2 2.72Å; R1046-E1177 PolarHBondContact NH2-OE2 3.34Å; R1046-E1177 PolarHBondContact O-N 3.12Å
1047V91.5Very high83.4Confident0 Ų038.1 Ų38.10%022%0.218CC..EExtended strand (participates in β ladder)trans-135.1146.8-176.5-640000111.9T1045 V1049 A1057 G1058 L1060 I1087 A1174 V1175T1045-V1047 HydrophobicContact CG2-CG1 4.38Å; V1047-V1049 HydrophobicContact CG2-CG2 4.38Å; V1047-A1057 CarbonylContact O-C 3.54Å; V1047-G1058 PolarHBondContact N-O 3.29Å; V1047-G1058 PolarHBondContact O-N 2.71Å; V1047-L1060 HydrophobicContact CG1-CB 4.48Å; V1047-L1060 HydrophobicContact CG2-CB 4.33Å; V1047-I1087 HydrophobicContact CG2-CD1 4.19Å; V1047-I1087 HydrophobicContact CG2-CG1 4.45Å; V1047-I1087 HydrophobicContact CG2-CG2 3.93Å; V1047-A1174 HydrophobicContact CB-CB 4.32Å; V1047-V1175 CarbonylContact C-O 3.6Å; V1047-V1175 VanDerWaalsContact CA-O 3.31Å; V1047-V1175 WeakPolarHBondContact CA-O 3.36Å
1048L91.2Very high84.2Confident0 Ų035.4 Ų35.40%020%0.203CC..EExtended strand (participates in β ladder)trans-97.5112.5170.7-59.1-176000108.9L1055 A1057 A1174 V1175 E1177 L1204 R1243 L1245L1048-L1055 HydrophobicContact CB-CB 4.26Å; L1048-L1055 HydrophobicContact CB-CD2 3.8Å; L1048-L1055 HydrophobicContact CD1-CD2 4.2Å; L1048-A1057 HydrophobicContact CD2-CB 3.69Å; L1048-A1174 WeakPolarHBondContact O-CA 3.33Å; L1048-V1175 PolarHBondContact N-O 3.23Å; L1048-V1175 PolarHBondContact O-N 3.36Å; L1048-E1177 HydrophobicContact CD2-CB 4.03Å; L1048-E1177 HydrophobicContact CD2-CG 3.76Å; L1048-E1177 HydrophobicContact CG-CB 3.96Å; L1048-E1177 HydrophobicContact CG-CG 4.09Å; L1048-L1204 HydrophobicContact CD1-CD1 4.38Å; L1048-L1204 HydrophobicContact CD2-CD1 3.82Å; L1048-R1243 HydrophobicContact CD1-CB 3.94Å; L1048-R1243 HydrophobicContact CD1-CG 4.14Å; L1048-L1245 HydrophobicContact CD1-CD2 4.17Å
1049V90.3Very high85Confident1 Ų136.3 Ų36.31%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-91.1126.9177.8-1790000110V1047 Q1051 L1055 R1056 I1087 L1089 L1163V1047-V1049 HydrophobicContact CG2-CG2 4.38Å; V1049-Q1051 HydrophobicContact CG1-CG 4.33Å; V1049-Q1051 PolarHBondContact O-N 2.74Å; V1049-L1055 CarbonylContact O-C 3.56Å; V1049-L1055 WeakPolarHBondContact O-CA 3.31Å; V1049-R1056 PolarHBondContact N-O 3.17Å; V1049-R1056 PolarHBondContact O-N 2.79Å; V1049-I1087 HydrophobicContact CG2-CD1 3.74Å; V1049-I1087 HydrophobicContact CG2-CG2 3.96Å; V1049-L1089 HydrophobicContact CB-CD2 4.08Å; V1049-L1089 HydrophobicContact CG2-CD2 3.85Å; V1049-L1163 HydrophobicContact CG1-CD2 3.73Å
1050I88.5Confident85.9Confident7 Ų733.1 Ų33.14%0.03618%0.182CC..EExtended strand (participates in β ladder)trans-76.4112.1178.5-54.4170.2000109L1055 Q1173 F1249 L1252I1050-L1055 HydrophobicContact CG1-CD2 4.23Å; I1050-L1055 HydrophobicContact CG1-CG 4.39Å; I1050-Q1173 WeakPolarHBondContact CG1-O 3.36Å; I1050-Q1173 PolarHBondContact N-O 3.49Å; I1050-F1249 HydrophobicContact CD1-CE2 3.75Å; I1050-F1249 HydrophobicContact CD1-CZ 4.02Å; I1050-F1249 HydrophobicContact CG1-CE2 4.06Å; I1050-F1249 HydrophobicContact CG1-CZ 4.15Å; I1050-L1252 HydrophobicContact CG2-CB 3.93Å
1051Q79.2Confident86.4Confident29 Ų2931 Ų3114%0.13617%0.165CC..EExtended strand (participates in β ladder)trans-111.491176.8-59.5-160.7-42.400108.9V1049 T1053 Y1054 R1056V1049-Q1051 HydrophobicContact CG1-CG 4.33Å; V1049-Q1051 PolarHBondContact O-N 2.74Å; Q1051-T1053 PolarHBondContact O-N 2.72Å; Q1051-Y1054 CarbonylContact C-O 3.55Å; Q1051-Y1054 HydrophobicContact CB-CD2 4.14Å; Q1051-Y1054 HydrophobicContact CB-CE1 4.19Å; Q1051-Y1054 HydrophobicContact CB-CE2 3.62Å; Q1051-Y1054 HydrophobicContact CG-CE2 4.35Å; Q1051-Y1054 PolarHBondContact N-O 2.73Å; Q1051-Y1054 WeakPolarHBondContact O-CD1 3.44Å; Q1051-Y1054 VanDerWaalsContact O-CE1 3.26Å; Q1051-Y1054 WeakPolarHBondContact O-CE1 3.34Å; Q1051-Y1054 PolarHBondContact O-N 3.43Å; Q1051-R1056 HydrophobicContact CG-CB 4.44Å
1052D73.9Confident86.4Confident64 Ų6432 Ų3234%0.34217%0.17SC..THydrogen-bonded Turntrans57.5-85.5-174.5-69.8-19.2000114.5K1500D1052-K1500 IonicContact OD1-NZ 3.04Å; D1052-K1500 PolarHBondContact OD1-NZ 3.36Å; D1052-K1500 IonicContact OD2-NZ 3.28Å; D1052-K1500 PolarHBondContact OD2-NZ 3.14Å
1053T75.5Confident85.6Confident42 Ų4230 Ų3026%0.25816%0.16SC..THydrogen-bonded Turntrans-122.94.9-173.679.30000113.6Q1051 R1501Q1051-T1053 PolarHBondContact O-N 2.72Å; T1053-R1501 PolarHBondContact OG1-NH2 2.76Å
1054Y86.2Confident84.5Confident57 Ų5734.9 Ų34.922%0.22418%0.177CC..EExtended strand (participates in β ladder)trans-133.2160.2173.661.2-84.6000108.7Q1051 R1056 N1203 L1204Q1051-Y1054 CarbonylContact C-O 3.55Å; Q1051-Y1054 HydrophobicContact CB-CD2 4.14Å; Q1051-Y1054 HydrophobicContact CB-CE1 4.19Å; Q1051-Y1054 HydrophobicContact CB-CE2 3.62Å; Q1051-Y1054 HydrophobicContact CG-CE2 4.35Å; Q1051-Y1054 PolarHBondContact N-O 2.73Å; Q1051-Y1054 WeakPolarHBondContact O-CD1 3.44Å; Q1051-Y1054 VanDerWaalsContact O-CE1 3.26Å; Q1051-Y1054 WeakPolarHBondContact O-CE1 3.34Å; Q1051-Y1054 PolarHBondContact O-N 3.43Å; Y1054-R1056 HydrophobicContact CE2-CB 4.49Å; Y1054-N1203 HydrophobicContact CD2-CB 3.7Å; Y1054-N1203 HydrophobicContact CE2-CB 4.32Å; Y1054-N1203 VanDerWaalsContact CE2-CG 3.49Å; Y1054-N1203 WeakPolarHBondContact CE2-OD1 3.29Å; Y1054-N1203 HydrophobicContact CG-CB 4.1Å; Y1054-L1204 CarbonylContact C-O 3.56Å; Y1054-L1204 VanDerWaalsContact CA-O 3.32Å; Y1054-L1204 WeakPolarHBondContact CA-O 3.35Å; Y1054-L1204 WeakPolarHBondContact CB-O 3.43Å
1055L90.3Very high82.9Confident1 Ų139.4 Ų39.41%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-102146.9169.7-54.491.2000108.9L1048 V1049 I1050 C1193 L1204 P1206 L1245 F1249L1048-L1055 HydrophobicContact CB-CB 4.26Å; L1048-L1055 HydrophobicContact CB-CD2 3.8Å; L1048-L1055 HydrophobicContact CD1-CD2 4.2Å; V1049-L1055 CarbonylContact O-C 3.56Å; V1049-L1055 WeakPolarHBondContact O-CA 3.31Å; I1050-L1055 HydrophobicContact CG1-CD2 4.23Å; I1050-L1055 HydrophobicContact CG1-CG 4.39Å; L1055-C1193 HydrophobicContact CD1-CB 4.02Å; L1055-L1204 HydrophobicContact CB-CB 4.35Å; L1055-L1204 PolarHBondContact N-O 2.93Å; L1055-L1204 PolarHBondContact O-N 2.9Å; L1055-P1206 HydrophobicContact CD1-CB 4.45Å; L1055-L1245 HydrophobicContact CD1-CD1 4.36Å; L1055-L1245 HydrophobicContact CD2-CD2 3.78Å; L1055-F1249 HydrophobicContact CD1-CE1 4.48Å; L1055-F1249 HydrophobicContact CD1-CE2 4.44Å; L1055-F1249 HydrophobicContact CD1-CZ 3.88Å; L1055-F1249 HydrophobicContact CD2-CE2 3.7Å; L1055-F1249 HydrophobicContact CD2-CZ 3.92Å; L1055-F1249 HydrophobicContact CG-CE2 4.38Å; L1055-F1249 HydrophobicContact CG-CZ 4.09Å
1056R89Confident81Confident19 Ų1938.8 Ų38.87%0.07219%0.189CC..EExtended strand (participates in β ladder)trans-125.9125.1173.3-176165.4174.8-140.3-6.5109.3V1049 Q1051 Y1054 L1089 D1090 Q1160 M1161 V1202V1049-R1056 PolarHBondContact N-O 3.17Å; V1049-R1056 PolarHBondContact O-N 2.79Å; Q1051-R1056 HydrophobicContact CG-CB 4.44Å; Y1054-R1056 HydrophobicContact CE2-CB 4.49Å; R1056-L1089 HydrophobicContact CG-CB 4.33Å; R1056-L1089 HydrophobicContact CG-CD2 4.36Å; R1056-L1089 PolarHBondContact NH2-O 3.4Å; R1056-L1089 VanDerWaalsContact NH2-O 3.16Å; R1056-D1090 PolarHBondContact NE-O 2.77Å; R1056-D1090 VanDerWaalsContact NE-O 3.12Å; R1056-D1090 PolarHBondContact NH2-O 2.77Å; R1056-Q1160 PolarHBondContact NH1-O 2.72Å; R1056-M1161 PolarHBondContact NH2-SD 2.74Å; R1056-V1202 HydrophobicContact CG-CG1 3.73Å; R1056-V1202 VanDerWaalsContact NE-CG1 3.26Å
1057A90.2Very high78.8Confident7 Ų739.3 Ų39.36%0.05821%0.205CC..EExtended strand (participates in β ladder)trans-69.2149.1178.400000111.6V1047 L1048 D1090V1047-A1057 CarbonylContact O-C 3.54Å; L1048-A1057 HydrophobicContact CD2-CB 3.69Å; A1057-D1090 PolarHBondContact O-N 3.5Å
1058G91Very high76.7Confident0 Ų043.6 Ų43.60%024%0.235CC..EExtended strand (participates in β ladder)trans-167.2173.1177.100000113.1V1047 H1088V1047-G1058 PolarHBondContact N-O 3.29Å; V1047-G1058 PolarHBondContact O-N 2.71Å; G1058-H1088 CarbonylContact C-O 3.4Å; G1058-H1088 WeakPolarHBondContact CA-O 3.39Å
1059T91.3Very high74.5Confident22 Ų2248.2 Ų48.214%0.13526%0.259CS..EExtended strand (participates in β ladder)trans-110.2120.1-179.4-590000109.5Y1061 I1087 H1088T1059-Y1061 HydrophobicContact CG2-CD2 4.37Å; T1059-Y1061 HydrophobicContact CG2-CE1 4.18Å; T1059-Y1061 HydrophobicContact CG2-CE2 3.7Å; T1059-Y1061 WeakPolarHBondContact O-CD2 3.38Å; T1059-I1087 CarbonylContact O-C 3.37Å; T1059-I1087 WeakPolarHBondContact O-CA 3.35Å; T1059-H1088 PolarHBondContact N-O 2.74Å; T1059-H1088 PolarHBondContact O-N 2.71Å
1060L91.8Very high72.2Confident0 Ų054 Ų540%029%0.289CS..EExtended strand (participates in β ladder)trans-74132.3173.8-176.175.1000109.9L1041 G1044 T1045 V1047 L1062 F1085 I1087L1041-L1060 HydrophobicContact CB-CD2 3.81Å; L1041-L1060 HydrophobicContact CD1-CD2 3.81Å; L1041-L1060 HydrophobicContact CD2-CD2 4.41Å; L1041-L1060 HydrophobicContact CG-CD2 4.23Å; G1044-L1060 WeakPolarHBondContact CA-O 3.5Å; G1044-L1060 PolarHBondContact N-O 2.73Å; T1045-L1060 WeakPolarHBondContact O-CB 3.43Å; T1045-L1060 PolarHBondContact O-N 2.87Å; V1047-L1060 HydrophobicContact CG1-CB 4.48Å; V1047-L1060 HydrophobicContact CG2-CB 4.33Å; L1060-L1062 HydrophobicContact CD2-CD1 4.16Å; L1060-L1062 HydrophobicContact CG-CD1 4.33Å; L1060-F1085 HydrophobicContact CD1-CB 3.73Å; L1060-F1085 HydrophobicContact CD1-CD1 3.94Å; L1060-F1085 HydrophobicContact CD1-CG 4.18Å; L1060-F1085 HydrophobicContact CD2-CD1 4.26Å; L1060-F1085 HydrophobicContact CG-CD1 4.28Å; L1060-I1087 HydrophobicContact CD1-CD1 4.15Å; L1060-I1087 HydrophobicContact CD1-CG1 3.56Å
1061Y86.2Confident70Confident96 Ų9660 Ų6038%0.37632%0.321SS..EExtended strand (participates in β ladder)trans-121.5133.7171.4-65.1-81.4000110.9D1043 T1059 R1086 H1088D1043-Y1061 WeakPolarHBondContact OD1-CA 3.48Å; D1043-Y1061 WeakPolarHBondContact OD1-CD1 3.4Å; T1059-Y1061 HydrophobicContact CG2-CD2 4.37Å; T1059-Y1061 HydrophobicContact CG2-CE1 4.18Å; T1059-Y1061 HydrophobicContact CG2-CE2 3.7Å; T1059-Y1061 WeakPolarHBondContact O-CD2 3.38Å; Y1061-R1086 PolarHBondContact N-O 2.85Å; Y1061-R1086 PolarHBondContact O-N 3.39Å; Y1061-R1086 VanDerWaalsContact O-N 3.14Å; Y1061-H1088 HydrophobicContact CD2-CB 4.3Å; Y1061-H1088 HydrophobicContact CE2-CB 3.82Å
1062L79.2Confident68.1Low31 Ų3170.7 Ų70.716%0.16236%0.36CS..  trans-85.1152.9174.5-85.964.6000109.9D1043 L1060 F1085D1043-L1062 HydrophobicContact CB-CB 4.49Å; D1043-L1062 PolarHBondContact OD1-N 3.22Å; L1060-L1062 HydrophobicContact CD2-CD1 4.16Å; L1060-L1062 HydrophobicContact CG-CD1 4.33Å; L1062-F1085 HydrophobicContact CD1-CD1 3.9Å; L1062-F1085 HydrophobicContact CD1-CE1 3.84Å; L1062-F1085 HydrophobicContact CG-CD1 4.11Å; L1062-F1085 HydrophobicContact CG-CE1 3.84Å
1063G65.5Low66.4Low27 Ų2775.5 Ų75.528%0.27838%0.383SS..  trans-63.5151.3175.700000111.4D1065 S1066G1063-D1065 PolarHBondContact O-N 2.82Å; G1063-D1065 VanDerWaalsContact O-N 3.09Å; G1063-S1066 VanDerWaalsContact O-CB 3.22Å; G1063-S1066 WeakPolarHBondContact O-CB 3.2Å; G1063-S1066 PolarHBondContact O-N 3.24Å; G1063-S1066 PolarHBondContact O-OG 2.72Å
1064K58.9Low65.1Low196 Ų19679.3 Ų79.385%0.85241%0.411SS*.THydrogen-bonded Turntrans-59.2-24.3177.3-76-173.5171.9-173.10113.5S1066K1064-S1066 VanDerWaalsContact C-N 3.26Å; K1064-S1066 PolarHBondContact O-N 3.12Å
1065D50.5Low63.3Low130 Ų13080.7 Ų80.770%0.69542%0.422SS*.THydrogen-bonded Turntrans-76-15.3176.9-46.5-39.3000112.1G1063 S1068G1063-D1065 PolarHBondContact O-N 2.82Å; G1063-D1065 VanDerWaalsContact O-N 3.09Å; D1065-S1068 PolarHBondContact O-OG 2.74Å; D1065-S1068 VanDerWaalsContact O-OG 3.06Å
1066S49.2Very low61.6Low5 Ų585.5 Ų85.54%0.03545%0.447CS..THydrogen-bonded Turntrans-79.1-28.6177.2-56.40000113.5G1063 K1064 S1068 L1069 I1070 Q1083G1063-S1066 VanDerWaalsContact O-CB 3.22Å; G1063-S1066 WeakPolarHBondContact O-CB 3.2Å; G1063-S1066 PolarHBondContact O-N 3.24Å; G1063-S1066 PolarHBondContact O-OG 2.72Å; K1064-S1066 VanDerWaalsContact C-N 3.26Å; K1064-S1066 PolarHBondContact O-N 3.12Å; S1066-S1068 PolarHBondContact O-N 3.25Å; S1066-S1068 VanDerWaalsContact O-N 3.14Å; S1066-L1069 WeakPolarHBondContact O-CA 3.14Å; S1066-L1069 PolarHBondContact O-N 2.83Å; S1066-I1070 PolarHBondContact O-N 3.44Å; S1066-Q1083 PolarHBondContact OG-NE2 3.36Å; S1066-Q1083 PolarHBondContact OG-OE1 2.84Å
1067S46.6Very low60.1Low92 Ų9287.3 Ų87.364%0.64346%0.459SS*.THydrogen-bonded Turntrans-62.1-25.5-176.9-53.30000112.9
1068S46.5Very low58.8Low89 Ų8991.5 Ų91.562%0.62248%0.48SS*.THydrogen-bonded Turntrans-82.7-12171.836.90000114.8D1065 S1066D1065-S1068 PolarHBondContact O-OG 2.74Å; D1065-S1068 VanDerWaalsContact O-OG 3.06Å; S1066-S1068 PolarHBondContact O-N 3.25Å; S1066-S1068 VanDerWaalsContact O-N 3.14Å
1069L44.4Very low57.7Low98 Ų98100.3 Ų100.351%0.51352%0.515SS..THydrogen-bonded Turntrans-99.3-8.1-178.1-68.9174.4000113.7S1066 N1071 L1075S1066-L1069 WeakPolarHBondContact O-CA 3.14Å; S1066-L1069 PolarHBondContact O-N 2.83Å; L1069-N1071 PolarHBondContact O-N 3Å; L1069-L1075 HydrophobicContact CB-CD1 4.16Å; L1069-L1075 WeakPolarHBondContact O-CD1 3.48Å
1070I41.7Very low56.8Low123 Ų123100.8 Ų100.863%0.63152%0.516SS*.  trans-77.138.8169.9-42.6177.5000110.8S1066S1066-I1070 PolarHBondContact O-N 3.44Å
1071N43Very low56.2Low132 Ų132104 Ų10471%0.70653%0.528SS*.  trans-82.1124.4158.7-108.8-23.5000106.8L1069 M1073L1069-N1071 PolarHBondContact O-N 3Å; N1071-M1073 PolarHBondContact O-N 2.81Å
1072R38.8Very low55.7Low254 Ų254105 Ų10596%0.95854%0.54SS*.SBendtrans-74.534.2-160.4-151.1-173.6-63.7-165.9-0.5114.9
1073M39.4Very low55.8Low165 Ų165105.8 Ų105.881%0.81354%0.543SS*.SBendtrans-10798.1178.9-72.7-173.5137.200110N1071 L1075N1071-M1073 PolarHBondContact O-N 2.81Å; M1073-L1075 PolarHBondContact O-N 2.85Å
1074S47.2Very low56.7Low121 Ų121107.4 Ų107.485%0.84655%0.548SS*.  trans16.671.2159.5-159.60000115.2
1075L48.2Very low58Low87 Ų8798.1 Ų98.146%0.45551%0.507SS..  trans-77.8126.4170.6-72.1177.1000108L1069 M1073 N1077L1069-L1075 HydrophobicContact CB-CD1 4.16Å; L1069-L1075 WeakPolarHBondContact O-CD1 3.48Å; M1073-L1075 PolarHBondContact O-N 2.85Å; L1075-N1077 PolarHBondContact O-N 3.02Å; L1075-N1077 VanDerWaalsContact O-N 3.16Å
1076N54.4Low59.8Low101 Ų10197.6 Ų97.654%0.5450%0.495SS..  trans-54.3123.6175.1-73-4000109.7D1078 Y1079N1076-D1078 PolarHBondContact O-N 2.86Å; N1076-Y1079 HydrophobicContact CB-CD2 4.31Å; N1076-Y1079 PolarHBondContact O-N 3.03Å; N1076-Y1079 VanDerWaalsContact O-N 3.09Å
1077N57.4Low61.8Low58 Ų5897.4 Ų97.431%0.3149%0.494SS..Hα-helixtrans-56.9-20.5-175.3-104.1-24000113.3D1037 L1075 Y1079 L1080 R1081D1037-N1077 PolarHBondContact OD1-ND2 2.84Å; D1037-N1077 VanDerWaalsContact OD1-ND2 3.17Å; D1037-N1077 PolarHBondContact OD1-OD1 3.44Å; D1037-N1077 PolarHBondContact OD2-ND2 2.88Å; L1075-N1077 PolarHBondContact O-N 3.02Å; L1075-N1077 VanDerWaalsContact O-N 3.16Å; N1077-Y1079 VanDerWaalsContact C-N 3.34Å; N1077-Y1079 PolarHBondContact O-N 3.13Å; N1077-L1080 PolarHBondContact O-N 3.34Å; N1077-R1081 VanDerWaalsContact O-CG 3.28Å; N1077-R1081 WeakPolarHBondContact O-CG 3.48Å; N1077-R1081 PolarHBondContact O-N 3.03Å; N1077-R1081 VanDerWaalsContact O-N 3.12Å
1078D63.8Low63.9Low95 Ų9596.5 Ų96.551%0.50848%0.479SS..Hα-helixtrans-52-43.8172.6-56.9-40.1000113.5N1076 L1080 R1081 D1082N1076-D1078 PolarHBondContact O-N 2.86Å; D1078-L1080 PolarHBondContact O-N 2.84Å; D1078-R1081 WeakPolarHBondContact O-CB 3.15Å; D1078-R1081 PolarHBondContact O-N 2.89Å; D1078-D1082 PolarHBondContact O-N 2.96Å
1079Y67.3Low65.9Low185 Ų18592.3 Ų92.373%0.72545%0.45SS*.Hα-helixtrans-68.8-35.9-178.3-72.2-73.9000112.6N1076 N1077 R1081 Q1083N1076-Y1079 HydrophobicContact CB-CD2 4.31Å; N1076-Y1079 PolarHBondContact O-N 3.03Å; N1076-Y1079 VanDerWaalsContact O-N 3.09Å; N1077-Y1079 VanDerWaalsContact C-N 3.34Å; N1077-Y1079 PolarHBondContact O-N 3.13Å; Y1079-R1081 VanDerWaalsContact C-N 3.33Å; Y1079-Q1083 PolarHBondContact O-N 3.45Å
1080L73.7Confident67.9Low32 Ų3290.2 Ų90.217%0.16844%0.439CS..Hα-helixtrans-69-34.9176.1-65.3178.2000110.9L1038 A1039 N1077 D1078 D1082 Q1083 F1085 G1167L1038-L1080 HydrophobicContact CB-CB 3.86Å; L1038-L1080 HydrophobicContact CB-CD1 3.92Å; L1038-L1080 HydrophobicContact CD1-CB 3.78Å; L1038-L1080 HydrophobicContact CG-CB 4.5Å; A1039-L1080 HydrophobicContact CB-CD1 4.46Å; N1077-L1080 PolarHBondContact O-N 3.34Å; D1078-L1080 PolarHBondContact O-N 2.84Å; L1080-D1082 VanDerWaalsContact C-N 3.3Å; L1080-D1082 PolarHBondContact O-N 3.29Å; L1080-Q1083 PolarHBondContact O-N 3.25Å; L1080-F1085 WeakPolarHBondContact O-CE2 3.25Å; L1080-G1167 WeakPolarHBondContact O-CA 3.49Å
1081R77.7Confident69.4Low66 Ų6688.1 Ų88.125%0.24943%0.432CS..Hα-helixtrans-61.9-37.4177.9-68.5-75.9170.4152.2-0.3112.3L1038 N1077 D1078 Y1079 G1167 W1168 V1171L1038-R1081 HydrophobicContact CD1-CG 4.15Å; N1077-R1081 VanDerWaalsContact O-CG 3.28Å; N1077-R1081 WeakPolarHBondContact O-CG 3.48Å; N1077-R1081 PolarHBondContact O-N 3.03Å; N1077-R1081 VanDerWaalsContact O-N 3.12Å; D1078-R1081 WeakPolarHBondContact O-CB 3.15Å; D1078-R1081 PolarHBondContact O-N 2.89Å; Y1079-R1081 VanDerWaalsContact C-N 3.33Å; R1081-G1167 CarbonylContact O-C 3.6Å; R1081-G1167 WeakPolarHBondContact O-CA 3.37Å; R1081-G1167 PolarHBondContact O-N 3.49Å; R1081-G1167 VanDerWaalsContact O-N 3.1Å; R1081-W1168 HydrophobicContact CB-CB 4.19Å; R1081-W1168 VanDerWaalsContact O-CD1 3.25Å; R1081-W1168 PolarHBondContact O-N 2.9Å; R1081-V1171 VanDerWaalsContact NH1-CG1 3.31Å
1082D76.2Confident70.4Confident119 Ų11985.3 Ų85.364%0.63642%0.415SS*.Hα-helixtrans-88.9-4.9178.3-74.2-14.4000114.2D1078 L1080 Y1166D1078-D1082 PolarHBondContact O-N 2.96Å; L1080-D1082 VanDerWaalsContact C-N 3.3Å; L1080-D1082 PolarHBondContact O-N 3.29Å; D1082-Y1166 WeakPolarHBondContact O-CD1 3.18Å
1083Q81.2Confident71.1Confident46 Ų4682.3 Ų82.322%0.21541%0.409CS..SBendtrans-74.5142.4173.5-177.2164.943.600111.7S1066 Y1079 L1080 F1085 Y1166 G1167S1066-Q1083 PolarHBondContact OG-NE2 3.36Å; S1066-Q1083 PolarHBondContact OG-OE1 2.84Å; Y1079-Q1083 PolarHBondContact O-N 3.45Å; L1080-Q1083 PolarHBondContact O-N 3.25Å; Q1083-F1085 HydrophobicContact CB-CE2 4.09Å; Q1083-F1085 HydrophobicContact CG-CE2 4.35Å; Q1083-F1085 WeakPolarHBondContact O-CD2 3.49Å; Q1083-Y1166 CarbonylContact O-C 3.55Å; Q1083-Y1166 VanDerWaalsContact O-CA 3.3Å; Q1083-Y1166 WeakPolarHBondContact O-CA 3.15Å; Q1083-G1167 PolarHBondContact O-N 3.32Å
1084V83.7Confident71Confident62 Ų6282.3 Ų82.338%0.37641%0.405SS..EExtended strand (participates in β ladder)trans-88.6122.1171.7-177.90000110.8L1164 Y1166V1084-L1164 HydrophobicContact CG1-CB 4.04Å; V1084-L1164 HydrophobicContact CG1-CD2 3.88Å; V1084-Y1166 HydrophobicContact CG2-CD1 3.65Å; V1084-Y1166 HydrophobicContact CG2-CE1 3.37Å; V1084-Y1166 HydrophobicContact CG2-CE2 4.36Å; V1084-Y1166 HydrophobicContact CG2-CG 4.26Å
1085F86.3Confident70.5Confident1 Ų182.8 Ų82.80%0.00440%0.403CS..EExtended strand (participates in β ladder)trans-98.8151.5172.9-65.1-103.1000110.7L1038 L1060 L1062 L1080 Q1083 L1164 L1165 G1167 V1170L1038-F1085 HydrophobicContact CD2-CE2 4.48Å; L1038-F1085 HydrophobicContact CD2-CZ 4.35Å; L1060-F1085 HydrophobicContact CD1-CB 3.73Å; L1060-F1085 HydrophobicContact CD1-CD1 3.94Å; L1060-F1085 HydrophobicContact CD1-CG 4.18Å; L1060-F1085 HydrophobicContact CD2-CD1 4.26Å; L1060-F1085 HydrophobicContact CG-CD1 4.28Å; L1062-F1085 HydrophobicContact CD1-CD1 3.9Å; L1062-F1085 HydrophobicContact CD1-CE1 3.84Å; L1062-F1085 HydrophobicContact CG-CD1 4.11Å; L1062-F1085 HydrophobicContact CG-CE1 3.84Å; L1080-F1085 WeakPolarHBondContact O-CE2 3.25Å; Q1083-F1085 HydrophobicContact CB-CE2 4.09Å; Q1083-F1085 HydrophobicContact CG-CE2 4.35Å; Q1083-F1085 WeakPolarHBondContact O-CD2 3.49Å; F1085-L1164 WeakPolarHBondContact O-CA 3.26Å; F1085-L1165 PolarHBondContact N-O 2.87Å; F1085-L1165 PolarHBondContact O-N 2.98Å; F1085-G1167 VanDerWaalsContact CE2-CA 3.5Å; F1085-V1170 HydrophobicContact CB-CG2 4Å; F1085-V1170 HydrophobicContact CD2-CG2 4.14Å; F1085-V1170 HydrophobicContact CG-CG2 4.17Å
1086R89.2Confident69.5Low119 Ų11982.4 Ų82.445%0.44942%0.42SS..EExtended strand (participates in β ladder)trans-114.3119.1177.9-177.5179.4174-138.5-0.1110.2Y1061 D1162 L1163 L1164Y1061-R1086 PolarHBondContact N-O 2.85Å; Y1061-R1086 PolarHBondContact O-N 3.39Å; Y1061-R1086 VanDerWaalsContact O-N 3.14Å; R1086-D1162 IonicContact CZ-OD1 2.74Å; R1086-D1162 IonicContact CZ-OD2 3.74Å; R1086-D1162 IonicContact NE-OD1 3.39Å; R1086-D1162 IonicContact NE-OD2 2.57Å; R1086-D1162 PolarHBondContact NE-OD2 3.13Å; R1086-D1162 VanDerWaalsContact NH2-CG 3.3Å; R1086-D1162 IonicContact NH2-OD1 2.73Å; R1086-D1162 PolarHBondContact NH2-OD1 2.85Å; R1086-D1162 IonicContact NH2-OD2 3.22Å; R1086-D1162 PolarHBondContact NH2-OD2 3.48Å; R1086-L1163 CarbonylContact C-O 3.41Å; R1086-L1163 WeakPolarHBondContact CA-O 3.36Å; R1086-L1164 HydrophobicContact CB-CD2 3.86Å; R1086-L1164 HydrophobicContact CG-CD2 4.08Å
1087I91Very high68.2Low0 Ų082.6 Ų82.60%043%0.429CS..EExtended strand (participates in β ladder)trans-106.2122.9177.2-55.4170.4000109V1047 V1049 T1059 L1060 L1089 D1162 L1163 L1165V1047-I1087 HydrophobicContact CG2-CD1 4.19Å; V1047-I1087 HydrophobicContact CG2-CG1 4.45Å; V1047-I1087 HydrophobicContact CG2-CG2 3.93Å; V1049-I1087 HydrophobicContact CG2-CD1 3.74Å; V1049-I1087 HydrophobicContact CG2-CG2 3.96Å; T1059-I1087 CarbonylContact O-C 3.37Å; T1059-I1087 WeakPolarHBondContact O-CA 3.35Å; L1060-I1087 HydrophobicContact CD1-CD1 4.15Å; L1060-I1087 HydrophobicContact CD1-CG1 3.56Å; I1087-L1089 HydrophobicContact CG2-CD2 4Å; I1087-D1162 WeakPolarHBondContact O-CA 3.38Å; I1087-L1163 HydrophobicContact CB-CB 4.34Å; I1087-L1163 PolarHBondContact N-O 3.15Å; I1087-L1163 PolarHBondContact O-N 2.92Å; I1087-L1165 HydrophobicContact CD1-CD1 3.91Å
1088H89.9Confident66.7Low73 Ų7385.4 Ų85.434%0.33845%0.448SS..EExtended strand (participates in β ladder)trans-91.2115.7171.8-168.369.4000109.7G1058 T1059 Y1061 D1162G1058-H1088 CarbonylContact C-O 3.4Å; G1058-H1088 WeakPolarHBondContact CA-O 3.39Å; T1059-H1088 PolarHBondContact N-O 2.74Å; T1059-H1088 PolarHBondContact O-N 2.71Å; Y1061-H1088 HydrophobicContact CD2-CB 4.3Å; Y1061-H1088 HydrophobicContact CE2-CB 3.82Å; H1088-D1162 IonicContact CE1-OD1 2.79Å; H1088-D1162 IonicContact CG-OD1 3.59Å; H1088-D1162 IonicContact ND1-OD1 2.77Å; H1088-D1162 PolarHBondContact ND1-OD1 2.77Å
1089L89.3Confident65Low2 Ų287.8 Ų87.81%0.0146%0.461CS..EExtended strand (participates in β ladder)trans-89.9133.6-174.4-61.2172000111.7V1049 R1056 I1087 T1091 M1161 L1163V1049-L1089 HydrophobicContact CB-CD2 4.08Å; V1049-L1089 HydrophobicContact CG2-CD2 3.85Å; R1056-L1089 HydrophobicContact CG-CB 4.33Å; R1056-L1089 HydrophobicContact CG-CD2 4.36Å; R1056-L1089 PolarHBondContact NH2-O 3.4Å; R1056-L1089 VanDerWaalsContact NH2-O 3.16Å; I1087-L1089 HydrophobicContact CG2-CD2 4Å; L1089-T1091 PolarHBondContact O-N 3.02Å; L1089-M1161 PolarHBondContact N-O 3.2Å; L1089-L1163 HydrophobicContact CD1-CB 4.47Å
1090D86.4Confident62.9Low53 Ų5384 Ų8428%0.28346%0.462SS..PPolyproline II helixtrans-58.5132.6-175.4-74-10.4000112.1R1046 R1056 A1057 V1202R1046-D1090 IonicContact CZ-OD1 3.33Å; R1046-D1090 IonicContact CZ-OD2 2.64Å; R1046-D1090 VanDerWaalsContact CZ-OD2 3.31Å; R1046-D1090 VanDerWaalsContact NH1-CG 3.31Å; R1046-D1090 IonicContact NH1-OD1 2.65Å; R1046-D1090 PolarHBondContact NH1-OD1 2.84Å; R1046-D1090 IonicContact NH1-OD2 3.88Å; R1046-D1090 PolarHBondContact NH1-OD2 3.42Å; R1046-D1090 IonicContact NH2-OD1 2.65Å; R1046-D1090 IonicContact NH2-OD2 2.67Å; R1046-D1090 PolarHBondContact NH2-OD2 3.29Å; R1056-D1090 PolarHBondContact NE-O 2.77Å; R1056-D1090 VanDerWaalsContact NE-O 3.12Å; R1056-D1090 PolarHBondContact NH2-O 2.77Å; A1057-D1090 PolarHBondContact O-N 3.5Å; D1090-V1202 VanDerWaalsContact O-CG1 3.26Å; D1090-V1202 WeakPolarHBondContact O-CG1 3.4Å
1091T73.9Confident60.6Low80 Ų8094.2 Ų94.249%0.49150%0.498SS..PPolyproline II helixtrans-83.6151.4178.249.90000112.6L1089 K1093 M1161L1089-T1091 PolarHBondContact O-N 3.02Å; T1091-K1093 PolarHBondContact O-N 3.16Å; T1091-K1093 VanDerWaalsContact O-N 3.09Å; T1091-M1161 HydrophobicContact CG2-CE 4.33Å; T1091-M1161 HydrophobicContact CG2-CG 4.48Å; T1091-M1161 HydrophobicContact CG2-SD 3.52Å; T1091-M1161 VanDerWaalsContact CG2-SD 3.52Å
1092E62.6Low58.3Low72 Ų7297.8 Ų97.834%0.33652%0.521SS..PPolyproline II helixtrans-50.8116.5166.1-71.2162.3-137.200110.1F1094 R1157 V1202E1092-F1094 VanDerWaalsContact C-N 3.35Å; E1092-F1094 HydrophobicContact CB-CE2 4.41Å; E1092-F1094 PolarHBondContact O-N 3.3Å; E1092-R1157 IonicContact OE1-CZ 2.77Å; E1092-R1157 IonicContact OE1-NH1 3.85Å; E1092-R1157 PolarHBondContact OE1-NH1 3.48Å; E1092-R1157 IonicContact OE1-NH2 2.73Å; E1092-R1157 PolarHBondContact OE1-NH2 2.71Å; E1092-R1157 IonicContact OE2-CZ 3.79Å; E1092-R1157 IonicContact OE2-NH1 2.72Å; E1092-R1157 PolarHBondContact OE2-NH1 2.99Å; E1092-R1157 IonicContact OE2-NH2 3.16Å; E1092-R1157 PolarHBondContact OE2-NH2 3.42Å; E1092-V1202 VanDerWaalsContact CA-CG2 3.46Å; E1092-V1202 HydrophobicContact CB-CG2 4.2Å; E1092-V1202 HydrophobicContact CG-CG2 3.75Å
1093K53.3Low55.8Low192 Ų19299 Ų9984%0.83553%0.528SS*.  trans-68.994.3172-69.4-179.3-176.6172.60107.9T1091 T1095T1091-K1093 PolarHBondContact O-N 3.16Å; T1091-K1093 VanDerWaalsContact O-N 3.09Å; K1093-T1095 VanDerWaalsContact C-N 3.27Å; K1093-T1095 PolarHBondContact O-N 3.03Å
1094F38.2Very low53.3Low164 Ų164104.2 Ų104.272%0.71956%0.557SS**  trans-64.989.4167.8-83-87.3000109.5E1092 G1096E1092-F1094 VanDerWaalsContact C-N 3.35Å; E1092-F1094 HydrophobicContact CB-CE2 4.41Å; E1092-F1094 PolarHBondContact O-N 3.3Å; F1094-G1096 PolarHBondContact O-N 3.42Å
1095T36.6Very low50.3Low132 Ų132111 Ų11181%0.8158%0.577SS**  trans-71.565.116544.60000109.6K1093 S1097K1093-T1095 VanDerWaalsContact C-N 3.27Å; K1093-T1095 PolarHBondContact O-N 3.03Å; T1095-S1097 PolarHBondContact O-N 3.45Å
1096G26.7Very low47.4Very low79 Ų79117.8 Ų117.881%0.81461%0.613SS**  trans-7270.7173.700000111.6F1094F1094-G1096 PolarHBondContact O-N 3.42Å
1097S28.5Very low44.4Very low104 Ų104123 Ų12373%0.72763%0.633SS**  trans-140.7110.5160.8-168.10000110.5T1095 N1099T1095-S1097 PolarHBondContact O-N 3.45Å; S1097-N1099 PolarHBondContact O-N 3.4Å
1098T26.1Very low41.1Very low117 Ų117132.7 Ų132.772%0.71868%0.676SS**  trans-51.5124.8155.146.80000109.7
1099N26.9Very low38.2Very low145 Ų145136.8 Ų136.878%0.77570%0.699SS**  167.9141.9121.8-83.4-21.1000110.9S1097 R1101S1097-N1099 PolarHBondContact O-N 3.4Å; N1099-R1101 PolarHBondContact O-N 3.39Å
1100S24.1Very low35.1Very low107 Ų107142 Ų14275%0.74874%0.736SS**  trans-48.3118.6170.950.50000112.4
1101R24.2Very low32.4Very low245 Ų245145.3 Ų145.393%0.92576%0.76SS**  trans-114.8102151.3-84.6-169.9176.7179.40.9109.4N1099N1099-R1101 PolarHBondContact O-N 3.39Å
1102I29Very low30.2Very low142 Ų142147.4 Ų147.473%0.72878%0.775SS**  trans-49.1139.1164.8-70157.1000109.3N1104I1102-N1104 PolarHBondContact O-N 3.07Å
1103N24.5Very low28.4Very low145 Ų145149.3 Ų149.378%0.77579%0.794SS**  trans-51.9119.1170-69.8-25.5000110.5
1104N27.9Very low27.1Very low154 Ų154144.5 Ų144.582%0.82478%0.784SS**  trans-148.495.8158.9-99.1-34.2000108.4I1102I1102-N1104 PolarHBondContact O-N 3.07Å
1105Y22.7Very low26.4Very low204 Ų204143.6 Ų143.680%0.879%0.787SS**  trans-66.4160.4162.2-85-92.9000110
1106N24.3Very low26Very low145 Ų145145.3 Ų145.378%0.77579%0.785SS**  trans71.679.3164.5-52.8-26.1000117.7
1107R25.7Very low26Very low227 Ų227147.5 Ų147.586%0.85778%0.783SS**  trans-150.285.8135-160.7166-71.3-167.5-2.6112.7L1109R1107-L1109 PolarHBondContact O-N 3.05Å
1108F22.2Very low25.8Very low205 Ų205149.5 Ų149.590%0.89979%0.785SS**  trans-72114.9157-82.7-90.3000108.9
1109L28.5Very low25.9Very low159 Ų159151.8 Ų151.883%0.83279%0.793SS**  trans-144.4133.7156.2-85179.4000108.9R1107R1107-L1109 PolarHBondContact O-N 3.05Å
1110S25.1Very low25.8Very low112 Ų112154 Ų15478%0.78380%0.799SS**PPolyproline II helixtrans-82.9167.8-165.6-57.90000114.1
1111P28.4Very low25.8Very low121 Ų121155.6 Ų155.679%0.78680%0.804SS**PPolyproline II helixtrans-77.7156-169.6-12.228.7000114.8
1112P28.6Very low26Very low125 Ų125149 Ų14981%0.81279%0.79SS**PPolyproline II helixtrans-79.3145.6173.533-34.7000112.7
1113P25.5Very low25.7Very low112 Ų112147.1 Ų147.173%0.72779%0.79SS**PPolyproline II helixtrans-95.5151.4178.737.1-34.8000114.2
1114S24.6Very low25.8Very low91 Ų91151.3 Ų151.364%0.63680%0.797SS**  trans42.8112.5145.866.10000120.4
1115N24.5Very low25.7Very low144 Ų144148.9 Ų148.977%0.7779%0.792SS**  165.9166.597.2-89.1-35.1000114.6
1116H28.2Very low25.9Very low168 Ų168145.5 Ų145.578%0.77879%0.792SS**  trans81.894.6163.2-74.7-71.8000121.6
1117V26.2Very low26Very low126 Ų126148 Ų14876%0.76479%0.793SS**  68.2124.8115174.30000120.1
1118N25Very low25.9Very low145 Ų145145.2 Ų145.278%0.77578%0.782SS**  trans-59.2151.5168.7-76.5-34000114.4
1119N27.2Very low26Very low166 Ų166142.7 Ų142.789%0.88877%0.773SS**  -169.9149.2121.9-94.6-22.8000112.6
1120Q25.1Very low25.8Very low190 Ų190141.5 Ų141.589%0.88877%0.767SS**  trans-129.2131.9176.2-67.4-180-9.200110.4
1121V23.8Very low25.7Very low141 Ų141140.4 Ų140.486%0.85576%0.759SS**  trans-156.5163.8159-162.50000111
1122V28.5Very low25.4Very low107 Ų107140 Ų14065%0.64876%0.759SS**  trans83.1112.2165.1-166.40000115.8Y1124V1122-Y1124 HydrophobicContact CG1-CD2 4.36Å; V1122-Y1124 HydrophobicContact CG1-CE2 4.26Å
1123S23.7Very low25.3Very low103 Ų103140.2 Ų140.272%0.7276%0.763SS**  cis84.7111.320.6-50.90000118
1124Y26.6Very low25Very low232 Ų232140.2 Ų140.291%0.9177%0.766SS**  trans-162.1159.4149-92.9-61.7000112.3V1122V1122-Y1124 HydrophobicContact CG1-CD2 4.36Å; V1122-Y1124 HydrophobicContact CG1-CE2 4.26Å
1125S25.1Very low25Very low104 Ų104141 Ų14173%0.72777%0.772SS**  trans-147.6146.3-162.552.60000116.5
1126T27.3Very low24.9Very low132 Ų132138.7 Ų138.781%0.8177%0.767SS**  trans54.2112.3146-45.10000122
1127Y26.2Very low24.5Very low199 Ų199136 Ų13678%0.7877%0.767SS**  trans-162.6162.3152.1-121.6-96.1000110.1
1128R22.8Very low24.2Very low168 Ų168135 Ų13563%0.63477%0.765SS**  -166.6144.4-53.6-159.1-147.9-85.5-133.45.5108.7
1129Q25.8Very low24Very low152 Ų152132.9 Ų132.971%0.7176%0.762SS**  trans69.7166.1163.4-57.6-154.8-47.700117.9
1130L24.1Very low23.7Very low133 Ų133130.8 Ų130.870%0.69676%0.761SS**  cis-161.3162.6-17-114.3169.9000110.6
1131S23.3Very low23.6Very low90 Ų90126.8 Ų126.863%0.62976%0.76SS**  trans38.4112.8149.462.70000123.5
1132S21.1Very low23.4Very low112 Ų112125.4 Ų125.478%0.78376%0.756SS**  24.4122.8127.360.50000122.1
1133S25.9Very low23.1Very low129 Ų129125.7 Ų125.790%0.90276%0.763SS**  -171.1162.7117.752.60000112.3
1134S21Very low22.9Very low113 Ų113125.6 Ų125.679%0.7976%0.762SS**  trans-95.3141.1-167.751.50000115.3
1135S23.1Very low22.8Very low107 Ų107120.7 Ų120.775%0.74876%0.762SS**  trans-178.8142.3130.553.50000114.7
1136S22.1Very low22.8Very low96 Ų96119.7 Ų119.767%0.67176%0.755SS**  trans51.2108.5149.957.80000121.4
1137S19.7Very low22.7Very low110 Ų110119.8 Ų119.877%0.76975%0.751SS**  18.6127.5125.258.10000117.9
1138S20.5Very low22.6Very low105 Ų105117.4 Ų117.473%0.73475%0.751SS**  -177.1171.650.352.70000112.5
1139S20.3Very low22.6Very low101 Ų101113.4 Ų113.471%0.70675%0.749SS**  trans60.274.4156.846.90000118.8
1140S21.4Very low22.3Very low123 Ų123112.5 Ų112.586%0.8676%0.758SS**  38.4100.2114.2-47.20000119.9
1141A22.5Very low22.2Very low105 Ų105116 Ų11687%0.86876%0.762SS**  trans-154.554.5148.800000111.4S1143A1141-S1143 PolarHBondContact O-N 3.17Å
1142S20.4Very low22.4Very low112 Ų112118.4 Ų118.478%0.78377%0.767SS**  trans-73.1119.8179.455.20000111.9
1143S21.8Very low22.6Very low114 Ų114120.9 Ų120.980%0.79776%0.764SS**  trans-55.2141156.648.40000111.2A1141A1141-S1143 PolarHBondContact O-N 3.17Å
1144S19.9Very low23.1Very low100 Ų100120.9 Ų120.970%0.69976%0.764SS**  trans-167.4103150.858.10000111.1
1145S25.4Very low23.7Very low129 Ų129121.9 Ų121.990%0.90275%0.754SS**  trans-67.7126.9145.11770000107.6
1146S24.2Very low24.4Very low83 Ų83124.3 Ų124.358%0.5876%0.759SS**  trans-176.2128.8151.552.50000113
1147N24.3Very low25.3Very low134 Ų134126.6 Ų126.672%0.71775%0.752SS**  trans71.2109.3139-59.9-15.6000120.6
1148N24.4Very low26.2Very low149 Ų149131.5 Ų131.580%0.79775%0.754SS**  64.1102.8121.9-53-20.6000118.4
1149S23.6Very low27.3Very low84 Ų84136.7 Ų136.759%0.58776%0.758SS**  -179.4120107.3-171.30000110.9R1151S1149-R1151 PolarHBondContact O-N 2.71Å; S1149-R1151 WeakPolarHBondContact OG-CG 3.36Å
1150C18.4Very low29.1Very low133 Ų133137.2 Ų137.290%0.89975%0.749SS**  trans-63.990.9166.438.90000110.8
1151R23.7Very low31.4Very low207 Ų207133.4 Ų133.478%0.78172%0.718SS**  trans-114.287.8174.8-69.6-170.7-178.4-168.40.6112.9S1149 F1153S1149-R1151 PolarHBondContact O-N 2.71Å; S1149-R1151 WeakPolarHBondContact OG-CG 3.36Å; R1151-F1153 PolarHBondContact O-N 3.02Å
1152L26.6Very low34.2Very low140 Ų140131.6 Ų131.673%0.73369%0.694SS**  trans20.298.4139.1-67.4167.1000117.6
1153F26.1Very low37.4Very low165 Ų165126.7 Ų126.772%0.72466%0.659SS**  trans-152.362.5150.9-80.7-52.1000115.1R1151 K1155R1151-F1153 PolarHBondContact O-N 3.02Å; F1153-K1155 HydrophobicContact CD1-CD 4.01Å; F1153-K1155 HydrophobicContact CD1-CG 4.23Å; F1153-K1155 HydrophobicContact CE1-CD 4.4Å; F1153-K1155 VanDerWaalsContact CE1-CE 3.45Å; F1153-K1155 VanDerWaalsContact CE1-NZ 3.35Å
1154S36.2Very low40.6Very low128 Ų128124.6 Ų124.690%0.89564%0.638SS**  trans-102.271.4157.1-64.70000110.2N1156S1154-N1156 PolarHBondContact O-N 2.95Å; S1154-N1156 VanDerWaalsContact O-N 3.15Å
1155K33.4Very low43.9Very low135 Ų135119.9 Ų119.959%0.58761%0.605SS**  trans-73.199.1174.5-75166.2171.8159.30109.3F1153F1153-K1155 HydrophobicContact CD1-CD 4.01Å; F1153-K1155 HydrophobicContact CD1-CG 4.23Å; F1153-K1155 HydrophobicContact CE1-CD 4.4Å; F1153-K1155 VanDerWaalsContact CE1-CE 3.45Å; F1153-K1155 VanDerWaalsContact CE1-NZ 3.35Å
1156N37.2Very low46.9Very low157 Ų157118.5 Ų118.584%0.8458%0.581SS**SBendtrans-178.8-21.3134.1-91.3-3000116.2S1154 R1158S1154-N1156 PolarHBondContact O-N 2.95Å; S1154-N1156 VanDerWaalsContact O-N 3.15Å; N1156-R1158 PolarHBondContact O-N 2.71Å
1157R40.6Very low49.9Very low144 Ų144114.5 Ų114.554%0.54355%0.553SS.*  trans-73.515.9179.8-72.6-171.6-179.1-126.818.4116.1E1092 R1159E1092-R1157 IonicContact OE1-CZ 2.77Å; E1092-R1157 IonicContact OE1-NH1 3.85Å; E1092-R1157 PolarHBondContact OE1-NH1 3.48Å; E1092-R1157 IonicContact OE1-NH2 2.73Å; E1092-R1157 PolarHBondContact OE1-NH2 2.71Å; E1092-R1157 IonicContact OE2-CZ 3.79Å; E1092-R1157 IonicContact OE2-NH1 2.72Å; E1092-R1157 PolarHBondContact OE2-NH1 2.99Å; E1092-R1157 IonicContact OE2-NH2 3.16Å; E1092-R1157 PolarHBondContact OE2-NH2 3.42Å; R1157-R1159 VanDerWaalsContact C-N 3.34Å; R1157-R1159 PolarHBondContact O-N 3.45Å; R1157-R1159 VanDerWaalsContact O-N 3.12Å
1158R38.9Very low52.7Low213 Ų213111.2 Ų111.280%0.80453%0.531SS*.THydrogen-bonded Turntrans-86.722.7-158.1-142.3-177.8-157.1163.77.2116.3N1156N1156-R1158 PolarHBondContact O-N 2.71Å
1159R44.2Very low55.7Low214 Ų214104.4 Ų104.481%0.80849%0.494SS*.THydrogen-bonded Turntrans-143.4-1.6-172.7-69.2-168.7178.8-173.6-2.4117.4R1157R1157-R1159 VanDerWaalsContact C-N 3.34Å; R1157-R1159 PolarHBondContact O-N 3.45Å; R1157-R1159 VanDerWaalsContact O-N 3.12Å
1160Q58.7Low58.7Low113 Ų113100.4 Ų100.453%0.52847%0.466SS..SBendtrans-124.446.2-175.5-160-177.8-2.300112.4R1056R1056-Q1160 PolarHBondContact NH1-O 2.72Å
1161M69.3Low61.8Low43 Ų4394.1 Ų94.121%0.21242%0.424CS..SBendtrans-118.7-30.4-179.6-59.1-55.8149.400113R1056 L1089 T1091R1056-M1161 PolarHBondContact NH2-SD 2.74Å; L1089-M1161 PolarHBondContact N-O 3.2Å; T1091-M1161 HydrophobicContact CG2-CE 4.33Å; T1091-M1161 HydrophobicContact CG2-CG 4.48Å; T1091-M1161 HydrophobicContact CG2-SD 3.52Å; T1091-M1161 VanDerWaalsContact CG2-SD 3.52Å
1162D81.9Confident64.6Low66 Ų6687.5 Ų87.535%0.35340%0.402SS..EExtended strand (participates in β ladder)trans-106130.9172.9-59.6-32000109.1R1086 I1087 H1088R1086-D1162 IonicContact CZ-OD1 2.74Å; R1086-D1162 IonicContact CZ-OD2 3.74Å; R1086-D1162 IonicContact NE-OD1 3.39Å; R1086-D1162 IonicContact NE-OD2 2.57Å; R1086-D1162 PolarHBondContact NE-OD2 3.13Å; R1086-D1162 VanDerWaalsContact NH2-CG 3.3Å; R1086-D1162 IonicContact NH2-OD1 2.73Å; R1086-D1162 PolarHBondContact NH2-OD1 2.85Å; R1086-D1162 IonicContact NH2-OD2 3.22Å; R1086-D1162 PolarHBondContact NH2-OD2 3.48Å; I1087-D1162 WeakPolarHBondContact O-CA 3.38Å; H1088-D1162 IonicContact CE1-OD1 2.79Å; H1088-D1162 IonicContact CG-OD1 3.59Å; H1088-D1162 IonicContact ND1-OD1 2.77Å; H1088-D1162 PolarHBondContact ND1-OD1 2.77Å
1163L86.7Confident67.4Low9 Ų981 Ų815%0.04737%0.368CS..EExtended strand (participates in β ladder)trans-107140.5169.4-159.368.2000108.6V1049 R1086 I1087 L1089 L1165 P1269 L1271V1049-L1163 HydrophobicContact CG1-CD2 3.73Å; R1086-L1163 CarbonylContact C-O 3.41Å; R1086-L1163 WeakPolarHBondContact CA-O 3.36Å; I1087-L1163 HydrophobicContact CB-CB 4.34Å; I1087-L1163 PolarHBondContact N-O 3.15Å; I1087-L1163 PolarHBondContact O-N 2.92Å; L1089-L1163 HydrophobicContact CD1-CB 4.47Å; L1163-L1165 HydrophobicContact CD2-CD1 3.88Å; L1163-L1165 HydrophobicContact CD2-CD2 4.06Å; L1163-L1165 HydrophobicContact CD2-CG 3.88Å; L1163-L1165 HydrophobicContact CG-CD2 4.18Å; L1163-L1165 HydrophobicContact CG-CG 4.08Å; L1163-P1269 HydrophobicContact CD1-CB 3.6Å; L1163-P1269 HydrophobicContact CD1-CG 4.29Å; L1163-P1269 HydrophobicContact CG-CB 4.42Å; L1163-L1271 HydrophobicContact CD1-CD2 4.37Å
1164L89.5Confident70.3Confident71 Ų7173.3 Ų73.337%0.37233%0.334SS..EExtended strand (participates in β ladder)trans-116119.3172.3-71.6164.2000107.6V1084 F1085 R1086V1084-L1164 HydrophobicContact CG1-CB 4.04Å; V1084-L1164 HydrophobicContact CG1-CD2 3.88Å; F1085-L1164 WeakPolarHBondContact O-CA 3.26Å; R1086-L1164 HydrophobicContact CB-CD2 3.86Å; R1086-L1164 HydrophobicContact CG-CD2 4.08Å
1165L88.8Confident72.8Confident1 Ų167.7 Ų67.71%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-128.9139.7-178.7-67.1-174.5000109.4F1085 I1087 L1163 Q1169 V1170 Q1173 P1269F1085-L1165 PolarHBondContact N-O 2.87Å; F1085-L1165 PolarHBondContact O-N 2.98Å; I1087-L1165 HydrophobicContact CD1-CD1 3.91Å; L1163-L1165 HydrophobicContact CD2-CD1 3.88Å; L1163-L1165 HydrophobicContact CD2-CD2 4.06Å; L1163-L1165 HydrophobicContact CD2-CG 3.88Å; L1163-L1165 HydrophobicContact CG-CD2 4.18Å; L1163-L1165 HydrophobicContact CG-CG 4.08Å; L1165-Q1169 HydrophobicContact CB-CB 4.03Å; L1165-Q1169 HydrophobicContact CD2-CB 4.16Å; L1165-Q1169 HydrophobicContact CG-CB 4.48Å; L1165-V1170 HydrophobicContact CB-CG2 3.86Å; L1165-V1170 HydrophobicContact CD1-CG2 4.43Å; L1165-Q1173 HydrophobicContact CD1-CB 4.28Å; L1165-P1269 HydrophobicContact CD2-CB 4.39Å
1166Y88.3Confident75.4Confident99 Ų9964 Ų6439%0.38828%0.281SS..EExtended strand (participates in β ladder)trans-66153.1165.2-71.7-84.1000110.5D1082 Q1083 V1084 W1168 Q1169 V1170D1082-Y1166 WeakPolarHBondContact O-CD1 3.18Å; Q1083-Y1166 CarbonylContact O-C 3.55Å; Q1083-Y1166 VanDerWaalsContact O-CA 3.3Å; Q1083-Y1166 WeakPolarHBondContact O-CA 3.15Å; V1084-Y1166 HydrophobicContact CG2-CD1 3.65Å; V1084-Y1166 HydrophobicContact CG2-CE1 3.37Å; V1084-Y1166 HydrophobicContact CG2-CE2 4.36Å; V1084-Y1166 HydrophobicContact CG2-CG 4.26Å; Y1166-W1168 AromaticContact CG-NE1 3.82Å; Y1166-W1168 PolarHBondContact O-N 3.38Å; Y1166-Q1169 CarbonylContact O-C 3.48Å; Y1166-Q1169 WeakPolarHBondContact O-CA 3.26Å; Y1166-Q1169 VanDerWaalsContact O-CB 3.3Å; Y1166-Q1169 WeakPolarHBondContact O-CB 3.46Å; Y1166-Q1169 PolarHBondContact O-N 2.65Å; Y1166-V1170 PolarHBondContact O-N 3.09Å
1167G86.9Confident78Confident0 Ų057.2 Ų57.20%024%0.244CC..Hα-helixtrans-55-38.6179.400000112.7L1080 R1081 Q1083 F1085 Q1169 V1170 V1171L1080-G1167 WeakPolarHBondContact O-CA 3.49Å; R1081-G1167 CarbonylContact O-C 3.6Å; R1081-G1167 WeakPolarHBondContact O-CA 3.37Å; R1081-G1167 PolarHBondContact O-N 3.49Å; R1081-G1167 VanDerWaalsContact O-N 3.1Å; Q1083-G1167 PolarHBondContact O-N 3.32Å; F1085-G1167 VanDerWaalsContact CE2-CA 3.5Å; G1167-Q1169 VanDerWaalsContact C-N 3.29Å; G1167-Q1169 PolarHBondContact O-N 2.8Å; G1167-V1170 WeakPolarHBondContact O-CB 3.36Å; G1167-V1170 PolarHBondContact O-N 3Å; G1167-V1171 WeakPolarHBondContact O-CG2 3.32Å; G1167-V1171 PolarHBondContact O-N 3.12Å; G1167-V1171 VanDerWaalsContact O-N 3.14Å
1168W83.6Confident80.3Confident64 Ų6453.2 Ų53.224%0.24224%0.235CC..Hα-helixtrans-63-33.5173.271.7-101.2000113.2R1081 Y1166 Q1172 C1266 L1267R1081-W1168 HydrophobicContact CB-CB 4.19Å; R1081-W1168 VanDerWaalsContact O-CD1 3.25Å; R1081-W1168 PolarHBondContact O-N 2.9Å; Y1166-W1168 AromaticContact CG-NE1 3.82Å; Y1166-W1168 PolarHBondContact O-N 3.38Å; W1168-Q1172 VanDerWaalsContact CE3-OE1 3.31Å; W1168-Q1172 VanDerWaalsContact CZ3-OE1 3.22Å; W1168-Q1172 WeakPolarHBondContact O-CG 3.48Å; W1168-Q1172 PolarHBondContact O-N 3.3Å; W1168-C1266 HydrophobicContact CH2-CB 3.85Å; W1168-C1266 VanDerWaalsContact CH2-O 3.24Å; W1168-C1266 WeakPolarHBondContact CH2-O 3.25Å; W1168-L1267 HydrophobicContact CZ3-CD2 4.47Å
1169Q87.6Confident82.7Confident7 Ų748.4 Ų48.43%0.03322%0.22CC..Hα-helixtrans-72.9-37.6172.7-66.4176.7-51.200111.5L1165 Y1166 G1167 V1171 Q1172 Q1173 C1266L1165-Q1169 HydrophobicContact CB-CB 4.03Å; L1165-Q1169 HydrophobicContact CD2-CB 4.16Å; L1165-Q1169 HydrophobicContact CG-CB 4.48Å; Y1166-Q1169 CarbonylContact O-C 3.48Å; Y1166-Q1169 WeakPolarHBondContact O-CA 3.26Å; Y1166-Q1169 VanDerWaalsContact O-CB 3.3Å; Y1166-Q1169 WeakPolarHBondContact O-CB 3.46Å; Y1166-Q1169 PolarHBondContact O-N 2.65Å; G1167-Q1169 VanDerWaalsContact C-N 3.29Å; G1167-Q1169 PolarHBondContact O-N 2.8Å; Q1169-V1171 VanDerWaalsContact C-N 3.31Å; Q1169-V1171 PolarHBondContact O-N 3Å; Q1169-Q1172 PolarHBondContact O-N 2.74Å; Q1169-Q1172 VanDerWaalsContact O-N 3.08Å; Q1169-Q1173 VanDerWaalsContact O-CB 3.3Å; Q1169-Q1173 WeakPolarHBondContact O-CB 3.4Å; Q1169-Q1173 WeakPolarHBondContact O-CG 3.33Å; Q1169-Q1173 PolarHBondContact O-N 2.75Å; Q1169-C1266 PolarHBondContact NE2-O 3.44Å
1170V87.2Confident84.8Confident0 Ų038.6 Ų38.60%019%0.185CC..Hα-helixtrans-56-48.3175.7175.40000109.9L1036 L1038 L1041 F1085 L1165 Y1166 G1167 Q1172 Q1173 A1174L1036-V1170 HydrophobicContact CD2-CG1 4.45Å; L1038-V1170 HydrophobicContact CD2-CB 4.27Å; L1038-V1170 HydrophobicContact CD2-CG1 4.23Å; L1041-V1170 HydrophobicContact CD1-CG1 4.05Å; F1085-V1170 HydrophobicContact CB-CG2 4Å; F1085-V1170 HydrophobicContact CD2-CG2 4.14Å; F1085-V1170 HydrophobicContact CG-CG2 4.17Å; L1165-V1170 HydrophobicContact CB-CG2 3.86Å; L1165-V1170 HydrophobicContact CD1-CG2 4.43Å; Y1166-V1170 PolarHBondContact O-N 3.09Å; G1167-V1170 WeakPolarHBondContact O-CB 3.36Å; G1167-V1170 PolarHBondContact O-N 3Å; V1170-Q1172 PolarHBondContact O-N 3.16Å; V1170-Q1173 PolarHBondContact O-N 2.69Å; V1170-A1174 HydrophobicContact CG1-CB 4.09Å; V1170-A1174 WeakPolarHBondContact O-CA 3.31Å; V1170-A1174 VanDerWaalsContact O-CB 3.25Å; V1170-A1174 WeakPolarHBondContact O-CB 2.97Å; V1170-A1174 PolarHBondContact O-N 3.49Å
1171V83.2Confident86.1Confident1 Ų137.4 Ų37.41%0.00619%0.194CC..Hα-helixtrans-64.6-23.7178.8-178.70000113.3R1033 L1036 L1038 R1081 G1167 Q1169R1033-V1171 CarbonylContact C-O 3.59Å; R1033-V1171 WeakPolarHBondContact O-CG1 3.29Å; L1036-V1171 HydrophobicContact CB-CG1 4.26Å; L1036-V1171 HydrophobicContact CB-CG2 4.5Å; L1036-V1171 VanDerWaalsContact O-CG2 3.23Å; L1036-V1171 WeakPolarHBondContact O-CG2 3.18Å; L1038-V1171 HydrophobicContact CD1-CG2 4.2Å; L1038-V1171 HydrophobicContact CD2-CG2 3.59Å; L1038-V1171 HydrophobicContact CG-CG2 3.71Å; R1081-V1171 VanDerWaalsContact NH1-CG1 3.31Å; G1167-V1171 WeakPolarHBondContact O-CG2 3.32Å; G1167-V1171 PolarHBondContact O-N 3.12Å; G1167-V1171 VanDerWaalsContact O-N 3.14Å; Q1169-V1171 VanDerWaalsContact C-N 3.31Å; Q1169-V1171 PolarHBondContact O-N 3Å
1172Q81.7Confident86.7Confident68 Ų6837.3 Ų37.332%0.31820%0.198SC..Hα-helixtrans-93.6-31.4178.1-71.1179.2-22.900114W1168 Q1169 V1170 L1255 L1267W1168-Q1172 VanDerWaalsContact CE3-OE1 3.31Å; W1168-Q1172 VanDerWaalsContact CZ3-OE1 3.22Å; W1168-Q1172 WeakPolarHBondContact O-CG 3.48Å; W1168-Q1172 PolarHBondContact O-N 3.3Å; Q1169-Q1172 PolarHBondContact O-N 2.74Å; Q1169-Q1172 VanDerWaalsContact O-N 3.08Å; V1170-Q1172 PolarHBondContact O-N 3.16Å; Q1172-L1255 HydrophobicContact CB-CD2 4.37Å; Q1172-L1267 HydrophobicContact CB-CD2 4.13Å
1173Q84.9Confident86.6Confident4 Ų437.9 Ų37.92%0.01920%0.2CC..Hα-helixtrans-111.2-15.1-169.7-58-169.71.300114.3I1050 L1165 Q1169 V1170 L1252 L1267I1050-Q1173 WeakPolarHBondContact CG1-O 3.36Å; I1050-Q1173 PolarHBondContact N-O 3.49Å; L1165-Q1173 HydrophobicContact CD1-CB 4.28Å; Q1169-Q1173 VanDerWaalsContact O-CB 3.3Å; Q1169-Q1173 WeakPolarHBondContact O-CB 3.4Å; Q1169-Q1173 WeakPolarHBondContact O-CG 3.33Å; Q1169-Q1173 PolarHBondContact O-N 2.75Å; V1170-Q1173 PolarHBondContact O-N 2.69Å; Q1173-L1252 HydrophobicContact CG-CD1 3.99Å; Q1173-L1267 HydrophobicContact CG-CD2 3.93Å; Q1173-L1267 VanDerWaalsContact NE2-CA 3.31Å; Q1173-L1267 VanDerWaalsContact NE2-CD2 3.28Å; Q1173-L1267 PolarHBondContact NE2-O 2.9Å
1174A88.6Confident86.4Confident2 Ų247.9 Ų47.92%0.01724%0.237CC..EExtended strand (participates in β ladder)trans-114.5150.2179.700000111.3V1047 L1048 V1170V1047-A1174 HydrophobicContact CB-CB 4.32Å; L1048-A1174 WeakPolarHBondContact O-CA 3.33Å; V1170-A1174 HydrophobicContact CG1-CB 4.09Å; V1170-A1174 WeakPolarHBondContact O-CA 3.31Å; V1170-A1174 VanDerWaalsContact O-CB 3.25Å; V1170-A1174 WeakPolarHBondContact O-CB 2.97Å; V1170-A1174 PolarHBondContact O-N 3.49Å
1175V87.9Confident86.1Confident10 Ų1048.8 Ų48.86%0.06124%0.239CC..EExtended strand (participates in β ladder)trans-129.7147.2172.9-179.30000107.1V1047 L1048 E1177 P1246 F1249V1047-V1175 CarbonylContact C-O 3.6Å; V1047-V1175 VanDerWaalsContact CA-O 3.31Å; V1047-V1175 WeakPolarHBondContact CA-O 3.36Å; L1048-V1175 PolarHBondContact N-O 3.23Å; L1048-V1175 PolarHBondContact O-N 3.36Å; V1175-E1177 PolarHBondContact O-N 2.9Å; V1175-P1246 HydrophobicContact CG1-CG 3.88Å; V1175-F1249 HydrophobicContact CG2-CE2 4.39Å
1176L89.2Confident86.1Confident58 Ų5849 Ų4930%0.30424%0.24SC..EExtended strand (participates in β ladder)trans-62.3134.8175.2-17268.5000110.5T1045 V1178T1045-L1176 HydrophobicContact CG2-CD1 3.57Å; L1176-V1178 HydrophobicContact CD2-CG2 4.16Å; L1176-V1178 HydrophobicContact CG-CG2 4.23Å; L1176-V1178 PolarHBondContact O-N 3.09Å
1177E90.7Very high86Confident15 Ų1546.4 Ų46.47%0.0724%0.236CC..  trans-79.3108.9176.3-173.5177.7-163.600110.4R1046 L1048 V1175 F1179 R1243R1046-E1177 HydrophobicContact CB-CB 3.95Å; R1046-E1177 IonicContact CZ-OE2 2.88Å; R1046-E1177 IonicContact NE-OE2 3.83Å; R1046-E1177 PolarHBondContact NE-OE2 2.95Å; R1046-E1177 IonicContact NH2-OE1 3.41Å; R1046-E1177 IonicContact NH2-OE2 2.72Å; R1046-E1177 PolarHBondContact NH2-OE2 3.34Å; R1046-E1177 PolarHBondContact O-N 3.12Å; L1048-E1177 HydrophobicContact CD2-CB 4.03Å; L1048-E1177 HydrophobicContact CD2-CG 3.76Å; L1048-E1177 HydrophobicContact CG-CB 3.96Å; L1048-E1177 HydrophobicContact CG-CG 4.09Å; V1175-E1177 PolarHBondContact O-N 2.9Å; E1177-F1179 HydrophobicContact CG-CD2 4.33Å; E1177-F1179 HydrophobicContact CG-CE2 3.86Å; E1177-R1243 HydrophobicContact CG-CG 4.34Å; E1177-R1243 IonicContact OE1-CZ 3.64Å; E1177-R1243 IonicContact OE1-NE 3.67Å; E1177-R1243 PolarHBondContact OE1-NE 3.31Å; E1177-R1243 IonicContact OE1-NH2 2.75Å
1178V89.4Confident86Confident59 Ų5950 Ų5036%0.35826%0.259SS..BIsolated β-bridgetrans-116.1125.2179.2-1770000110.3L1176 R1243 I1244L1176-V1178 HydrophobicContact CD2-CG2 4.16Å; L1176-V1178 HydrophobicContact CG-CG2 4.23Å; L1176-V1178 PolarHBondContact O-N 3.09Å; V1178-R1243 CarbonylContact O-C 3.55Å; V1178-R1243 VanDerWaalsContact O-CA 3.29Å; V1178-R1243 WeakPolarHBondContact O-CA 3.5Å; V1178-I1244 HydrophobicContact CB-CB 4.35Å; V1178-I1244 HydrophobicContact CG1-CB 4.39Å; V1178-I1244 HydrophobicContact CG1-CD1 4.18Å; V1178-I1244 PolarHBondContact O-N 3.13Å
1179F89.6Confident86.2Confident112 Ų11249.4 Ų49.449%0.49127%0.273SS..  trans-94.2134.3175.4-70.2-113000110E1177 A1181 R1243E1177-F1179 HydrophobicContact CG-CD2 4.33Å; E1177-F1179 HydrophobicContact CG-CE2 3.86Å; F1179-A1181 PolarHBondContact O-N 2.84Å; F1179-R1243 VanDerWaalsContact CE1-NH1 3.28Å; F1179-R1243 VanDerWaalsContact CE1-NH2 3.27Å; F1179-R1243 VanDerWaalsContact CZ-NE 3.27Å; F1179-R1243 VanDerWaalsContact CZ-NH2 3.31Å
1180P88.2Confident86.3Confident9 Ų949.2 Ų49.26%0.05827%0.272CS..  trans-72.1121.3173.130-32.9000110.6S1182 H1185 V1186 L1239 L1242 I1244P1180-S1182 VanDerWaalsContact C-N 3.3Å; P1180-S1182 PolarHBondContact O-N 3.2Å; P1180-H1185 HydrophobicContact CB-CB 4.41Å; P1180-V1186 HydrophobicContact CB-CG1 4.01Å; P1180-V1186 HydrophobicContact CB-CG2 4.14Å; P1180-V1186 HydrophobicContact CG-CG1 4.46Å; P1180-L1239 HydrophobicContact CB-CD1 3.9Å; P1180-L1239 HydrophobicContact CG-CD1 3.62Å; P1180-L1239 HydrophobicContact CG-CG 4.13Å; P1180-L1242 WeakPolarHBondContact CD-O 3.15Å; P1180-L1242 HydrophobicContact CG-CB 4.06Å; P1180-I1244 HydrophobicContact CB-CD1 4.12Å; P1180-I1244 HydrophobicContact CB-CG1 4.17Å
1181A84.4Confident86.6Confident88 Ų8850.7 Ų50.773%0.72728%0.278SS*.SBendtrans-73.9-19.3-178.100000114F1179F1179-A1181 PolarHBondContact O-N 2.84Å
1182S82.1Confident87Confident40 Ų4050.6 Ų50.628%0.2828%0.278SS..SBendtrans-162.6163.6175.167.90000109.8P1180 R1184 H1185P1180-S1182 VanDerWaalsContact C-N 3.3Å; P1180-S1182 PolarHBondContact O-N 3.2Å; S1182-R1184 PolarHBondContact O-N 2.78Å; S1182-H1185 PolarHBondContact N-ND1 3.24Å; S1182-H1185 WeakPolarHBondContact O-CB 3.43Å; S1182-H1185 PolarHBondContact O-N 3.33Å; S1182-H1185 PolarHBondContact O-ND1 3.22Å; S1182-H1185 PolarHBondContact OG-CE1 2.79Å; S1182-H1185 PolarHBondContact OG-ND1 2.73Å
1183I81.1Confident87.5Confident79 Ų7947.4 Ų47.441%0.40526%0.262SS..G310 helixtrans-53.6-27.4176.5-114.8164000113.2H1185 V1186 N1222 V1225I1183-H1185 PolarHBondContact O-N 2.67Å; I1183-V1186 CarbonylContact O-C 3.57Å; I1183-V1186 WeakPolarHBondContact O-CG2 3.11Å; I1183-V1186 PolarHBondContact O-N 2.85Å; I1183-V1186 VanDerWaalsContact O-N 3.14Å; I1183-N1222 WeakPolarHBondContact CD1-O 3.35Å; I1183-V1225 HydrophobicContact CD1-CG2 3.95Å; I1183-V1225 HydrophobicContact CG1-CG2 3.52Å
1184R82.6Confident87.8Confident219 Ų21947.2 Ų47.283%0.82626%0.262SS*.G310 helixtrans-66.3-20.5177.6-60.6-174.4-177.9-168.50.3113.8S1182 V1186S1182-R1184 PolarHBondContact O-N 2.78Å; R1184-V1186 VanDerWaalsContact C-N 3.32Å
1185H83.5Confident87.4Confident90 Ų9048.4 Ų48.442%0.41727%0.271SS..G310 helixtrans-85.2-5.3176.8-62.194.4000113.3P1180 S1182 I1183 P1187P1180-H1185 HydrophobicContact CB-CB 4.41Å; S1182-H1185 PolarHBondContact N-ND1 3.24Å; S1182-H1185 WeakPolarHBondContact O-CB 3.43Å; S1182-H1185 PolarHBondContact O-N 3.33Å; S1182-H1185 PolarHBondContact O-ND1 3.22Å; S1182-H1185 PolarHBondContact OG-CE1 2.79Å; S1182-H1185 PolarHBondContact OG-ND1 2.73Å; I1183-H1185 PolarHBondContact O-N 2.67Å; H1185-P1187 VanDerWaalsContact C-CD 3.46Å
1186V87Confident86.3Confident5 Ų553.2 Ų53.23%0.0329%0.289CS..SBendtrans-130.266.3179.6-87.70000110.3P1180 I1183 R1184 T1190 V1192 V1209 V1225 L1239 I1244P1180-V1186 HydrophobicContact CB-CG1 4.01Å; P1180-V1186 HydrophobicContact CB-CG2 4.14Å; P1180-V1186 HydrophobicContact CG-CG1 4.46Å; I1183-V1186 CarbonylContact O-C 3.57Å; I1183-V1186 WeakPolarHBondContact O-CG2 3.11Å; I1183-V1186 PolarHBondContact O-N 2.85Å; I1183-V1186 VanDerWaalsContact O-N 3.14Å; R1184-V1186 VanDerWaalsContact C-N 3.32Å; V1186-T1190 HydrophobicContact CG1-CG2 4.02Å; V1186-V1192 HydrophobicContact CG1-CG1 3.82Å; V1186-V1209 HydrophobicContact CB-CG2 4.22Å; V1186-V1225 HydrophobicContact CG2-CG2 4.35Å; V1186-L1239 HydrophobicContact CG2-CD1 3.95Å; V1186-I1244 HydrophobicContact CG1-CG1 4.17Å
1187P87.1Confident85.1Confident45 Ų4552.1 Ų52.129%0.29229%0.286SS..  trans-64.3159.4172.128-35.3000111.9H1185 G1189 T1190H1185-P1187 VanDerWaalsContact C-CD 3.46Å; P1187-G1189 PolarHBondContact O-N 3.3Å; P1187-T1190 VanDerWaalsContact CD-OG1 3.23Å; P1187-T1190 WeakPolarHBondContact CD-OG1 3.26Å; P1187-T1190 WeakPolarHBondContact CG-OG1 3.1Å; P1187-T1190 WeakPolarHBondContact O-CB 3.22Å; P1187-T1190 PolarHBondContact O-N 3.21Å; P1187-T1190 PolarHBondContact O-OG1 3.01Å
1188P87.5Confident83.7Confident74 Ų7460 Ų6048%0.48132%0.323SS..THydrogen-bonded Turntrans-51.6137.7172.6-26.535.2000112.4V1209 K1211P1188-V1209 CarbonylContact C-O 3.54Å; P1188-V1209 WeakPolarHBondContact CA-O 3.33Å; P1188-K1211 HydrophobicContact CB-CG 3.85Å; P1188-K1211 HydrophobicContact CG-CG 3.76Å
1189G87.4Confident82.3Confident53 Ų5365 Ų6555%0.54634%0.342SS..THydrogen-bonded Turntrans90-9.7-170.100000114.8P1187 R1191 V1209P1187-G1189 PolarHBondContact O-N 3.3Å; G1189-R1191 PolarHBondContact O-N 3.26Å; G1189-V1209 PolarHBondContact N-O 3.42Å
1190T89.7Confident80.8Confident2 Ų263.6 Ų63.61%0.01234%0.339CS..  trans-70.1131.5179-58.10000111.4V1186 P1187 V1192 T1208 V1209V1186-T1190 HydrophobicContact CG1-CG2 4.02Å; P1187-T1190 VanDerWaalsContact CD-OG1 3.23Å; P1187-T1190 WeakPolarHBondContact CD-OG1 3.26Å; P1187-T1190 WeakPolarHBondContact CG-OG1 3.1Å; P1187-T1190 WeakPolarHBondContact O-CB 3.22Å; P1187-T1190 PolarHBondContact O-N 3.21Å; P1187-T1190 PolarHBondContact O-OG1 3.01Å; T1190-V1192 HydrophobicContact CG2-CG1 4.23Å; T1190-T1208 WeakPolarHBondContact O-CA 3.33Å; T1190-V1209 PolarHBondContact O-N 3.4Å
1191R92.2Very high79.7Confident31 Ų3165.2 Ų65.212%0.11736%0.357CS..EExtended strand (participates in β ladder)trans-74.7131.2172.4-64.9-67.8-75.5155.8-4.5110.6G1189 G1207 T1208 D1230 L1245 F1249G1189-R1191 PolarHBondContact O-N 3.26Å; R1191-G1207 VanDerWaalsContact NH1-C 3.26Å; R1191-G1207 PolarHBondContact NH1-O 3.5Å; R1191-G1207 VanDerWaalsContact NH1-O 3.12Å; R1191-T1208 PolarHBondContact NH1-OG1 2.75Å; R1191-D1230 IonicContact CZ-OD1 2.7Å; R1191-D1230 IonicContact CZ-OD2 3.97Å; R1191-D1230 IonicContact NH1-OD1 3.55Å; R1191-D1230 PolarHBondContact NH1-OD1 3.06Å; R1191-D1230 IonicContact NH1-OD2 3.73Å; R1191-D1230 IonicContact NH2-OD1 3.75Å; R1191-D1230 PolarHBondContact NH2-OD1 2.71Å; R1191-D1230 IonicContact NH2-OD2 3.25Å; R1191-D1230 PolarHBondContact NH2-OD2 3.45Å; R1191-L1245 HydrophobicContact CB-CB 4.12Å; R1191-L1245 PolarHBondContact O-N 2.91Å; R1191-F1249 PolarHBondContact NH2-O 2.82Å
1192V92.8Very high79.2Confident0 Ų062 Ų620%033%0.329CS..EExtended strand (participates in β ladder)trans-141.3166.3-175.1-68.30000110.5V1186 T1190 P1206 G1207 V1209 V1227 L1242 R1243 L1245V1186-V1192 HydrophobicContact CG1-CG1 3.82Å; T1190-V1192 HydrophobicContact CG2-CG1 4.23Å; V1192-P1206 WeakPolarHBondContact O-CA 3.35Å; V1192-G1207 PolarHBondContact N-O 3.44Å; V1192-G1207 PolarHBondContact O-N 3.23Å; V1192-G1207 VanDerWaalsContact O-O 3.06Å; V1192-V1209 HydrophobicContact CG1-CG2 3.81Å; V1192-V1209 HydrophobicContact CG2-CG2 3.97Å; V1192-V1227 HydrophobicContact CG2-CG1 3.72Å; V1192-V1227 HydrophobicContact CG2-CG2 3.95Å; V1192-L1242 HydrophobicContact CB-CD2 3.96Å; V1192-L1242 HydrophobicContact CG1-CD2 4.44Å; V1192-L1242 HydrophobicContact CG2-CD2 3.95Å; V1192-R1243 CarbonylContact C-O 3.58Å; V1192-R1243 WeakPolarHBondContact CA-O 3.12Å; V1192-R1243 WeakPolarHBondContact CB-O 3.49Å; V1192-L1245 WeakPolarHBondContact O-CD1 3.36Å
1193C91.7Very high79.4Confident0 Ų061.9 Ų61.90%033%0.325CS..EExtended strand (participates in β ladder)trans-136.8152.2160.360.80000112.2L1055 L1204 Y1205 L1242 R1243 L1245L1055-C1193 HydrophobicContact CD1-CB 4.02Å; C1193-L1204 HydrophobicContact CB-CB 4.09Å; C1193-Y1205 WeakPolarHBondContact CA-O 3.17Å; C1193-Y1205 WeakPolarHBondContact CB-O 3.5Å; C1193-L1242 CarbonylContact O-C 3.41Å; C1193-R1243 PolarHBondContact N-O 2.67Å; C1193-R1243 PolarHBondContact O-N 3.18Å; C1193-L1245 HydrophobicContact CB-CD1 3.78Å; C1193-L1245 HydrophobicContact CB-CG 4.2Å
1194A90.3Very high79.9Confident0 Ų058.6 Ų58.60%031%0.308CS..EExtended strand (participates in β ladder)trans-150.1160.7-176.600000111.8L1204 Y1205 F1229 V1237 L1242A1194-L1204 CarbonylContact O-C 3.59Å; A1194-L1204 WeakPolarHBondContact O-CA 3.37Å; A1194-Y1205 PolarHBondContact N-O 2.97Å; A1194-Y1205 VanDerWaalsContact N-O 3.11Å; A1194-Y1205 PolarHBondContact O-N 2.98Å; A1194-F1229 HydrophobicContact CB-CE1 4.04Å; A1194-F1229 HydrophobicContact CB-CZ 3.95Å; A1194-V1237 HydrophobicContact CB-CB 4.47Å; A1194-V1237 HydrophobicContact CB-CG1 3.65Å; A1194-V1237 HydrophobicContact CB-CG2 4.16Å; A1194-L1242 HydrophobicContact CB-CD2 3.91Å
1195A81.9Confident80.3Confident27 Ų2750 Ų5022%0.22328%0.276CS..EExtended strand (participates in β ladder)trans-74.7137.9176.900000112.3L1204A1195-L1204 HydrophobicContact CB-CD2 4.19Å
1196W64Low80.7Confident112 Ų11246.3 Ų46.342%0.42426%0.26SS..SBendtrans-78.7-21.4179.2-17666.8000113.8L1200 Y1205 D1233W1196-L1200 HydrophobicContact CE3-CD1 4.39Å; W1196-L1200 HydrophobicContact CZ3-CD1 4.46Å; W1196-Y1205 HydrophobicContact CB-CD2 3.63Å; W1196-Y1205 HydrophobicContact CB-CE2 3.6Å; W1196-Y1205 HydrophobicContact CB-CG 4.35Å; W1196-D1233 PolarHBondContact NE1-OD2 2.75Å
1197S63.6Low80.9Confident35 Ų3546 Ų4625%0.24526%0.258CS..  trans-158.3139.3179.3170.30000111Q1199 L1200 G1201S1197-Q1199 VanDerWaalsContact C-N 3.27Å; S1197-Q1199 PolarHBondContact O-N 2.88Å; S1197-Q1199 PolarHBondContact OG-N 2.87Å; S1197-L1200 CarbonylContact O-C 3.45Å; S1197-L1200 VanDerWaalsContact O-C 3.26Å; S1197-L1200 WeakPolarHBondContact O-CA 3.02Å; S1197-L1200 PolarHBondContact O-N 2.77Å; S1197-G1201 WeakPolarHBondContact O-CA 3.45Å; S1197-G1201 PolarHBondContact O-N 2.94Å
1198E61.5Low81.2Confident181 Ų18145.9 Ų45.985%0.84626%0.256SS*.G310 helixtrans-56.1-37.9173.4-65.3-175.7170.300112.8L1200 G1201E1198-L1200 PolarHBondContact O-N 2.63Å; E1198-G1201 PolarHBondContact O-N 3.06Å
1199Q60.7Low81.4Confident163 Ų16342.6 Ų42.676%0.76224%0.235SC*.G310 helixtrans-68.7-17.1176.5-77.8103.124.900113.4S1197S1197-Q1199 VanDerWaalsContact C-N 3.27Å; S1197-Q1199 PolarHBondContact O-N 2.88Å; S1197-Q1199 PolarHBondContact OG-N 2.87Å
1200L57.6Low81.4Confident83 Ų8342.3 Ų42.344%0.43522%0.223SC..G310 helixtrans-119.319.4179-60.5177.7000112.2W1196 S1197 E1198 V1202 N1203W1196-L1200 HydrophobicContact CE3-CD1 4.39Å; W1196-L1200 HydrophobicContact CZ3-CD1 4.46Å; S1197-L1200 CarbonylContact O-C 3.45Å; S1197-L1200 VanDerWaalsContact O-C 3.26Å; S1197-L1200 WeakPolarHBondContact O-CA 3.02Å; S1197-L1200 PolarHBondContact O-N 2.77Å; E1198-L1200 PolarHBondContact O-N 2.63Å; L1200-V1202 PolarHBondContact O-N 3.19Å; L1200-N1203 PolarHBondContact O-N 2.84Å; L1200-N1203 VanDerWaalsContact O-N 3.13Å
1201G64.7Low80.9Confident42 Ų4249.9 Ų49.943%0.43326%0.255SS..THydrogen-bonded Turntrans-6311.9-16400000118.3S1197 E1198S1197-G1201 WeakPolarHBondContact O-CA 3.45Å; S1197-G1201 PolarHBondContact O-N 2.94Å; E1198-G1201 PolarHBondContact O-N 3.06Å
1202V75Confident79.9Confident21 Ų2149.2 Ų49.213%0.12726%0.257CS..THydrogen-bonded Turntrans-89-27.2172.7175.40000111.9R1056 D1090 E1092 L1200R1056-V1202 HydrophobicContact CG-CG1 3.73Å; R1056-V1202 VanDerWaalsContact NE-CG1 3.26Å; D1090-V1202 VanDerWaalsContact O-CG1 3.26Å; D1090-V1202 WeakPolarHBondContact O-CG1 3.4Å; E1092-V1202 VanDerWaalsContact CA-CG2 3.46Å; E1092-V1202 HydrophobicContact CB-CG2 4.2Å; E1092-V1202 HydrophobicContact CG-CG2 3.75Å; L1200-V1202 PolarHBondContact O-N 3.19Å
1203N86.5Confident78.5Confident37 Ų3754.3 Ų54.320%0.19828%0.284CS..EExtended strand (participates in β ladder)trans-98117.1-177.2-66.8-0.7000109.6Y1054 L1200 Y1205Y1054-N1203 HydrophobicContact CD2-CB 3.7Å; Y1054-N1203 HydrophobicContact CE2-CB 4.32Å; Y1054-N1203 VanDerWaalsContact CE2-CG 3.49Å; Y1054-N1203 WeakPolarHBondContact CE2-OD1 3.29Å; Y1054-N1203 HydrophobicContact CG-CB 4.1Å; L1200-N1203 PolarHBondContact O-N 2.84Å; L1200-N1203 VanDerWaalsContact O-N 3.13Å; N1203-Y1205 HydrophobicContact CB-CE2 3.95Å; N1203-Y1205 WeakPolarHBondContact O-CD2 3.49Å; N1203-Y1205 WeakPolarHBondContact O-CE2 3.19Å
1204L89.9Confident77Confident11 Ų1158.4 Ų58.46%0.05831%0.311CS..EExtended strand (participates in β ladder)trans-97.1136.2176.9-54.4175.4000109.8L1048 Y1054 L1055 C1193 A1194 A1195 R1243L1048-L1204 HydrophobicContact CD1-CD1 4.38Å; L1048-L1204 HydrophobicContact CD2-CD1 3.82Å; Y1054-L1204 CarbonylContact C-O 3.56Å; Y1054-L1204 VanDerWaalsContact CA-O 3.32Å; Y1054-L1204 WeakPolarHBondContact CA-O 3.35Å; Y1054-L1204 WeakPolarHBondContact CB-O 3.43Å; L1055-L1204 HydrophobicContact CB-CB 4.35Å; L1055-L1204 PolarHBondContact N-O 2.93Å; L1055-L1204 PolarHBondContact O-N 2.9Å; C1193-L1204 HydrophobicContact CB-CB 4.09Å; A1194-L1204 CarbonylContact O-C 3.59Å; A1194-L1204 WeakPolarHBondContact O-CA 3.37Å; A1195-L1204 HydrophobicContact CB-CD2 4.19Å; L1204-R1243 HydrophobicContact CD1-CG 3.87Å
1205Y90.9Very high75.3Confident38 Ų3865 Ų6515%0.14935%0.346CS..EExtended strand (participates in β ladder)trans-110.2134.3-177.9-67.4-101.8000109C1193 A1194 W1196 N1203 F1229C1193-Y1205 WeakPolarHBondContact CA-O 3.17Å; C1193-Y1205 WeakPolarHBondContact CB-O 3.5Å; A1194-Y1205 PolarHBondContact N-O 2.97Å; A1194-Y1205 VanDerWaalsContact N-O 3.11Å; A1194-Y1205 PolarHBondContact O-N 2.98Å; W1196-Y1205 HydrophobicContact CB-CD2 3.63Å; W1196-Y1205 HydrophobicContact CB-CE2 3.6Å; W1196-Y1205 HydrophobicContact CB-CG 4.35Å; N1203-Y1205 HydrophobicContact CB-CE2 3.95Å; N1203-Y1205 WeakPolarHBondContact O-CD2 3.49Å; N1203-Y1205 WeakPolarHBondContact O-CE2 3.19Å; Y1205-F1229 WeakPolarHBondContact O-CE1 3.32Å
1206P92.2Very high74.1Confident12 Ų1266.9 Ų66.98%0.07835%0.35CS..EExtended strand (participates in β ladder)trans-73148.8-179.632.1-35.7000111.7L1055 V1192 D1230 L1245 F1249L1055-P1206 HydrophobicContact CD1-CB 4.45Å; V1192-P1206 WeakPolarHBondContact O-CA 3.35Å; P1206-D1230 WeakPolarHBondContact CB-OD2 3.41Å; P1206-D1230 HydrophobicContact CG-CB 4.31Å; P1206-D1230 WeakPolarHBondContact CG-OD2 3.43Å; P1206-D1230 PolarHBondContact O-N 3.3Å; P1206-L1245 HydrophobicContact CB-CD1 3.99Å; P1206-F1249 HydrophobicContact CB-CD1 4.04Å; P1206-F1249 HydrophobicContact CB-CE1 3.77Å; P1206-F1249 HydrophobicContact CG-CE1 4.1Å
1207G91.9Very high73.6Confident0 Ų066.6 Ų66.60%035%0.353CS..EExtended strand (participates in β ladder)trans-167.5-174.9-179.900000112.6R1191 V1192 D1228R1191-G1207 VanDerWaalsContact NH1-C 3.26Å; R1191-G1207 PolarHBondContact NH1-O 3.5Å; R1191-G1207 VanDerWaalsContact NH1-O 3.12Å; V1192-G1207 PolarHBondContact N-O 3.44Å; V1192-G1207 PolarHBondContact O-N 3.23Å; V1192-G1207 VanDerWaalsContact O-O 3.06Å; G1207-D1228 CarbonylContact C-O 3.47Å; G1207-D1228 WeakPolarHBondContact CA-O 3.45Å
1208T93Very high72.8Confident41 Ų4173 Ų7325%0.25238%0.38SS..EExtended strand (participates in β ladder)trans-132.3134.7-175.4-46.80000109.7T1190 R1191 V1227 D1228T1190-T1208 WeakPolarHBondContact O-CA 3.33Å; R1191-T1208 PolarHBondContact NH1-OG1 2.75Å; T1208-V1227 WeakPolarHBondContact O-CA 3.27Å; T1208-D1228 PolarHBondContact N-O 3.42Å; T1208-D1228 PolarHBondContact O-N 3.17Å
1209V91.3Very high72.5Confident5 Ų572.2 Ų72.23%0.0338%0.375CS..EExtended strand (participates in β ladder)trans-68.4132.9174.81790000109.9V1186 P1188 G1189 T1190 V1192 V1225 P1226 V1227V1186-V1209 HydrophobicContact CB-CG2 4.22Å; P1188-V1209 CarbonylContact C-O 3.54Å; P1188-V1209 WeakPolarHBondContact CA-O 3.33Å; G1189-V1209 PolarHBondContact N-O 3.42Å; T1190-V1209 PolarHBondContact O-N 3.4Å; V1192-V1209 HydrophobicContact CG1-CG2 3.81Å; V1192-V1209 HydrophobicContact CG2-CG2 3.97Å; V1209-V1225 HydrophobicContact CB-CG1 4.31Å; V1209-V1225 HydrophobicContact CG1-CG1 3.49Å; V1209-V1225 VanDerWaalsContact CG1-CG1 3.49Å; V1209-V1225 HydrophobicContact CG2-CG1 3.9Å; V1209-P1226 WeakPolarHBondContact CA-O 3.17Å; V1209-V1227 HydrophobicContact CG2-CG2 4.33Å
1210V88.1Confident72.3Confident47 Ų4766.1 Ų66.129%0.28535%0.348SS..  trans-110.6167.4-179.9-169.50000109.9P1226 D1228V1210-P1226 PolarHBondContact N-O 3.02Å; V1210-P1226 WeakPolarHBondContact O-CG 3.48Å; V1210-D1228 HydrophobicContact CG2-CB 3.87Å; V1210-D1228 VanDerWaalsContact CG2-CG 3.46Å; V1210-D1228 WeakPolarHBondContact CG2-OD2 3.43Å
1211K79.9Confident72.4Confident161 Ų16167.8 Ų67.870%0.736%0.357SS*.PPolyproline II helixtrans-74.4126.3163.5-66178.4-177.7177.50107.2P1188P1188-K1211 HydrophobicContact CB-CG 3.85Å; P1188-K1211 HydrophobicContact CG-CG 3.76Å
1212A70.3Confident72.3Confident18 Ų1872.7 Ų72.715%0.14937%0.373CS..PPolyproline II helixtrans-65.7141.5168.200000109.7Q1217 I1220 P1226A1212-Q1217 PolarHBondContact O-NE2 2.65Å; A1212-I1220 HydrophobicContact CB-CD1 3.3Å; A1212-P1226 HydrophobicContact CB-CB 4.36Å; A1212-P1226 HydrophobicContact CB-CG 3.8Å
1213D64.3Low72.3Confident106 Ų10677.3 Ų77.357%0.56740%0.397SS*.PPolyproline II helixtrans-70152.2174.6-74.8-39.6000111.4D1215 E1216 Q1217D1213-D1215 PolarHBondContact O-N 3.43Å; D1213-E1216 HydrophobicContact CB-CG 4.48Å; D1213-E1216 PolarHBondContact O-N 3.04Å; D1213-Q1217 PolarHBondContact O-N 3.39Å
1214P58.5Low72.1Confident87 Ų8776.4 Ų76.457%0.56539%0.394SS*.Hα-helixtrans-59.9-28.6179.623.6-34.2000113.5
1215D56.2Low71.9Confident138 Ų13876.1 Ų76.174%0.73839%0.393SS*.Hα-helixtrans-71.8-34.3174.9-66-23.7000111.7D1213D1213-D1215 PolarHBondContact O-N 3.43Å
1216E55.2Low71.9Confident66 Ų6675 Ų7531%0.30839%0.389SS..Hα-helixtrans-76.9-32.3175.6-67-153.6171.500112.9D1213 Q1218 H1219 I1220 Q1236D1213-E1216 HydrophobicContact CB-CG 4.48Å; D1213-E1216 PolarHBondContact O-N 3.04Å; E1216-Q1218 PolarHBondContact O-N 3.48Å; E1216-H1219 PolarHBondContact O-N 2.65Å; E1216-I1220 HydrophobicContact CB-CD1 4.44Å; E1216-I1220 WeakPolarHBondContact O-CG1 3.43Å; E1216-I1220 PolarHBondContact O-N 3.31Å; E1216-Q1236 PolarHBondContact OE2-NE2 2.85Å
1217Q53.5Low71.8Confident106 Ų10674.4 Ų74.450%0.49539%0.386SS..Hα-helixtrans-53.3-26.9-180-105.7112.651.800113.9A1212 D1213 H1219 I1220A1212-Q1217 PolarHBondContact O-NE2 2.65Å; D1213-Q1217 PolarHBondContact O-N 3.39Å; Q1217-H1219 PolarHBondContact O-N 3.25Å; Q1217-I1220 HydrophobicContact CG-CD1 4.49Å
1218Q48Very low71.8Confident171 Ų17177.8 Ų77.880%0.79940%0.404SS*.THydrogen-bonded Turntrans-69.5-16.2177.6-59.2-17528.900113.7E1216E1216-Q1218 PolarHBondContact O-N 3.48Å
1219H53.7Low71.7Confident163 Ų16376.2 Ų76.276%0.75539%0.394SS*.THydrogen-bonded Turntrans-1241.6-174.8-137.4-58.7000114.3E1216 Q1217 N1221E1216-H1219 PolarHBondContact O-N 2.65Å; Q1217-H1219 PolarHBondContact O-N 3.25Å; H1219-N1221 PolarHBondContact O-N 3.05Å
1220I56.5Low71.5Confident35 Ų3580 Ų8018%0.17941%0.414CS..  trans-73.7120.4176.2-72171.1000109.9A1212 E1216 Q1217A1212-I1220 HydrophobicContact CB-CD1 3.3Å; E1216-I1220 HydrophobicContact CB-CD1 4.44Å; E1216-I1220 WeakPolarHBondContact O-CG1 3.43Å; E1216-I1220 PolarHBondContact O-N 3.31Å; Q1217-I1220 HydrophobicContact CG-CD1 4.49Å
1221N60.7Low71.3Confident118 Ų11881.4 Ų81.463%0.63142%0.42SS*.  trans-64134161.6-62.4-45.4000108.3H1219 D1223 C1224H1219-N1221 PolarHBondContact O-N 3.05Å; N1221-D1223 PolarHBondContact O-N 3.26Å; N1221-C1224 WeakPolarHBondContact O-CB 3.36Å; N1221-C1224 PolarHBondContact O-N 2.96Å
1222N63.6Low71.4Confident145 Ų14577.1 Ų77.178%0.77542%0.421SS*.THydrogen-bonded Turntrans-55.3-14.4-173.2-68.5-18.4000116I1183I1183-N1222 WeakPolarHBondContact CD1-O 3.35Å
1223D73.5Confident72.1Confident119 Ų11979 Ų7964%0.63643%0.428SS*.THydrogen-bonded Turntrans-104.35.7179.8-56.4-46000113.8N1221 L1239N1221-D1223 PolarHBondContact O-N 3.26Å; D1223-L1239 PolarHBondContact O-N 2.93Å
1224C83.4Confident73.1Confident18 Ų1877.7 Ų77.712%0.12242%0.419CS..EExtended strand (participates in β ladder)trans-99.9143.1177.1-73.20000112.3N1221 Q1236 V1237N1221-C1224 WeakPolarHBondContact O-CB 3.36Å; N1221-C1224 PolarHBondContact O-N 2.96Å; C1224-Q1236 HydrophobicContact CB-CB 4.28Å; C1224-V1237 WeakPolarHBondContact CA-O 3.45Å
1225V85.7Confident74.3Confident5 Ų578.6 Ų78.63%0.0341%0.411CS..EExtended strand (participates in β ladder)trans-120.5128.7178.7-177.60000109.8I1183 V1186 V1209 V1227 Q1236 V1237 L1239 L1242I1183-V1225 HydrophobicContact CD1-CG2 3.95Å; I1183-V1225 HydrophobicContact CG1-CG2 3.52Å; V1186-V1225 HydrophobicContact CG2-CG2 4.35Å; V1209-V1225 HydrophobicContact CB-CG1 4.31Å; V1209-V1225 HydrophobicContact CG1-CG1 3.49Å; V1209-V1225 VanDerWaalsContact CG1-CG1 3.49Å; V1209-V1225 HydrophobicContact CG2-CG1 3.9Å; V1225-V1227 HydrophobicContact CG1-CG2 4.32Å; V1225-Q1236 WeakPolarHBondContact O-CA 3.49Å; V1225-V1237 PolarHBondContact N-O 2.63Å; V1225-V1237 PolarHBondContact O-N 2.92Å; V1225-L1239 HydrophobicContact CG2-CD1 4.32Å; V1225-L1242 HydrophobicContact CB-CD1 3.79Å; V1225-L1242 HydrophobicContact CG1-CD1 4.43Å; V1225-L1242 HydrophobicContact CG2-CD1 3.94Å
1226P90Very high75.7Confident13 Ų1375.2 Ų75.28%0.08439%0.391CS..EExtended strand (participates in β ladder)trans-71.5129.5173.132-38000111.2V1209 V1210 A1212V1209-P1226 WeakPolarHBondContact CA-O 3.17Å; V1210-P1226 PolarHBondContact N-O 3.02Å; V1210-P1226 WeakPolarHBondContact O-CG 3.48Å; A1212-P1226 HydrophobicContact CB-CB 4.36Å; A1212-P1226 HydrophobicContact CB-CG 3.8Å
1227V90.5Very high77.2Confident0 Ų072.6 Ų72.60%038%0.379CS..EExtended strand (participates in β ladder)trans-135.7127.5-176.4178.90000110.2V1192 T1208 V1209 V1225 R1235 V1237 L1242V1192-V1227 HydrophobicContact CG2-CG1 3.72Å; V1192-V1227 HydrophobicContact CG2-CG2 3.95Å; T1208-V1227 WeakPolarHBondContact O-CA 3.27Å; V1209-V1227 HydrophobicContact CG2-CG2 4.33Å; V1225-V1227 HydrophobicContact CG1-CG2 4.32Å; V1227-R1235 PolarHBondContact N-O 2.72Å; V1227-R1235 PolarHBondContact O-N 2.92Å; V1227-V1237 HydrophobicContact CB-CG2 4.37Å; V1227-V1237 HydrophobicContact CG2-CG2 4.34Å; V1227-L1242 HydrophobicContact CG2-CD2 4.01Å
1228D91.3Very high78.8Confident72 Ų7270.1 Ų70.139%0.38537%0.373SS..EExtended strand (participates in β ladder)trans-86.3119.1164.2-79.9-4.3000109G1207 T1208 V1210 H1234G1207-D1228 CarbonylContact C-O 3.47Å; G1207-D1228 WeakPolarHBondContact CA-O 3.45Å; T1208-D1228 PolarHBondContact N-O 3.42Å; T1208-D1228 PolarHBondContact O-N 3.17Å; V1210-D1228 HydrophobicContact CG2-CB 3.87Å; V1210-D1228 VanDerWaalsContact CG2-CG 3.46Å; V1210-D1228 WeakPolarHBondContact CG2-OD2 3.43Å; D1228-H1234 IonicContact OD1-CE1 3.73Å; D1228-H1234 IonicContact OD1-CG 2.76Å; D1228-H1234 IonicContact OD1-ND1 2.68Å; D1228-H1234 PolarHBondContact OD1-ND1 2.88Å
1229F91.3Very high80.5Confident7 Ų763.5 Ų63.53%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-80.5151172.6-68.2-84.1000111.5A1194 Y1205 D1231 G1232 D1233 R1235 V1237A1194-F1229 HydrophobicContact CB-CE1 4.04Å; A1194-F1229 HydrophobicContact CB-CZ 3.95Å; Y1205-F1229 WeakPolarHBondContact O-CE1 3.32Å; F1229-D1231 VanDerWaalsContact CB-OD1 3.3Å; F1229-D1231 WeakPolarHBondContact CB-OD1 3.39Å; F1229-D1231 PolarHBondContact O-N 3.31Å; F1229-G1232 PolarHBondContact O-N 3.37Å; F1229-D1233 HydrophobicContact CB-CB 4.38Å; F1229-D1233 HydrophobicContact CD2-CB 4.22Å; F1229-D1233 WeakPolarHBondContact CD2-O 3.46Å; F1229-D1233 PolarHBondContact N-O 3.42Å; F1229-R1235 HydrophobicContact CE2-CB 4.07Å; F1229-R1235 HydrophobicContact CE2-CG 4.05Å; F1229-V1237 HydrophobicContact CE2-CG2 4.43Å; F1229-V1237 HydrophobicContact CZ-CG2 4.16Å
1230D87.9Confident81.9Confident86 Ų8660.3 Ų60.346%0.4634%0.335SS..THydrogen-bonded Turntrans-64.8-7.6-176.7-67.6-8.3000114.2R1191 P1206R1191-D1230 IonicContact CZ-OD1 2.7Å; R1191-D1230 IonicContact CZ-OD2 3.97Å; R1191-D1230 IonicContact NH1-OD1 3.55Å; R1191-D1230 PolarHBondContact NH1-OD1 3.06Å; R1191-D1230 IonicContact NH1-OD2 3.73Å; R1191-D1230 IonicContact NH2-OD1 3.75Å; R1191-D1230 PolarHBondContact NH2-OD1 2.71Å; R1191-D1230 IonicContact NH2-OD2 3.25Å; R1191-D1230 PolarHBondContact NH2-OD2 3.45Å; P1206-D1230 WeakPolarHBondContact CB-OD2 3.41Å; P1206-D1230 HydrophobicContact CG-CB 4.31Å; P1206-D1230 WeakPolarHBondContact CG-OD2 3.43Å; P1206-D1230 PolarHBondContact O-N 3.3Å
1231D84Confident83.3Confident76 Ų7662.2 Ų62.241%0.40635%0.345SS..THydrogen-bonded Turntrans-95.5-4.8172.756.99.5000114.4F1229 D1233F1229-D1231 VanDerWaalsContact CB-OD1 3.3Å; F1229-D1231 WeakPolarHBondContact CB-OD1 3.39Å; F1229-D1231 PolarHBondContact O-N 3.31Å; D1231-D1233 PolarHBondContact OD1-N 2.74Å
1232G81.7Confident84.7Confident70 Ų7056.6 Ų56.672%0.72232%0.315SS*.SBendtrans99.34.2177.100000115.3F1229F1229-G1232 PolarHBondContact O-N 3.37Å
1233D85.5Confident86Confident57 Ų5751.2 Ų51.231%0.30528%0.284SS..  trans-76.3133.2169.7-92.220.2000110.2W1196 F1229 D1231 R1235W1196-D1233 PolarHBondContact NE1-OD2 2.75Å; F1229-D1233 HydrophobicContact CB-CB 4.38Å; F1229-D1233 HydrophobicContact CD2-CB 4.22Å; F1229-D1233 WeakPolarHBondContact CD2-O 3.46Å; F1229-D1233 PolarHBondContact N-O 3.42Å; D1231-D1233 PolarHBondContact OD1-N 2.74Å; D1233-R1235 IonicContact OD2-CZ 2.74Å; D1233-R1235 IonicContact OD2-NE 3.72Å; D1233-R1235 IonicContact OD2-NH2 3.67Å; D1233-R1235 PolarHBondContact OD2-NH2 2.73Å
1234H84.6Confident86.9Confident80 Ų8046.5 Ų46.537%0.3726%0.259SS..EExtended strand (participates in β ladder)trans-103.2134.7167.5-177.588000110.7D1228D1228-H1234 IonicContact OD1-CE1 3.73Å; D1228-H1234 IonicContact OD1-CG 2.76Å; D1228-H1234 IonicContact OD1-ND1 2.68Å; D1228-H1234 PolarHBondContact OD1-ND1 2.88Å
1235R83.2Confident87.2Confident105 Ų10545.8 Ų45.840%0.39625%0.253SS..EExtended strand (participates in β ladder)trans-148.9151.2173.6-56.3-177.6179.5-110.9-8113.5V1227 F1229 D1233 V1237V1227-R1235 PolarHBondContact N-O 2.72Å; V1227-R1235 PolarHBondContact O-N 2.92Å; F1229-R1235 HydrophobicContact CE2-CB 4.07Å; F1229-R1235 HydrophobicContact CE2-CG 4.05Å; D1233-R1235 IonicContact OD2-CZ 2.74Å; D1233-R1235 IonicContact OD2-NE 3.72Å; D1233-R1235 IonicContact OD2-NH2 3.67Å; D1233-R1235 PolarHBondContact OD2-NH2 2.73Å; R1235-V1237 HydrophobicContact CB-CG2 4.33Å
1236Q85.7Confident87.2Confident68 Ų6846.4 Ų46.432%0.31826%0.257SS..EExtended strand (participates in β ladder)trans-83.1119.5161.3-62179.712.800109.6E1216 C1224 V1225E1216-Q1236 PolarHBondContact OE2-NE2 2.85Å; C1224-Q1236 HydrophobicContact CB-CB 4.28Å; V1225-Q1236 WeakPolarHBondContact O-CA 3.49Å
1237V87.2Confident86.7Confident10 Ų1048.4 Ų48.46%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-114.6131.8-175.9-173.60000110.3A1194 C1224 V1225 V1227 F1229 R1235 D1241 L1242A1194-V1237 HydrophobicContact CB-CB 4.47Å; A1194-V1237 HydrophobicContact CB-CG1 3.65Å; A1194-V1237 HydrophobicContact CB-CG2 4.16Å; C1224-V1237 WeakPolarHBondContact CA-O 3.45Å; V1225-V1237 PolarHBondContact N-O 2.63Å; V1225-V1237 PolarHBondContact O-N 2.92Å; V1227-V1237 HydrophobicContact CB-CG2 4.37Å; V1227-V1237 HydrophobicContact CG2-CG2 4.34Å; F1229-V1237 HydrophobicContact CE2-CG2 4.43Å; F1229-V1237 HydrophobicContact CZ-CG2 4.16Å; R1235-V1237 HydrophobicContact CB-CG2 4.33Å; V1237-D1241 HydrophobicContact CG1-CB 4.21Å; V1237-L1242 HydrophobicContact CB-CD1 4.28Å; V1237-L1242 HydrophobicContact CB-CD2 4.21Å; V1237-L1242 HydrophobicContact CB-CG 4.15Å; V1237-L1242 HydrophobicContact CG1-CD1 4.37Å; V1237-L1242 HydrophobicContact CG1-CD2 4.06Å; V1237-L1242 HydrophobicContact CG1-CG 3.8Å
1238P87.1Confident85.9Confident55 Ų5555.4 Ų55.436%0.35730%0.295SS..EExtended strand (participates in β ladder)trans-60.5142.8172.8-22.934.1000112.8T1240 D1241P1238-T1240 PolarHBondContact O-N 3.29Å; P1238-T1240 VanDerWaalsContact O-N 3.09Å; P1238-D1241 PolarHBondContact O-N 3.16Å
1239L82.7Confident85.4Confident31 Ų3152.7 Ų52.716%0.16228%0.28CS..G310 helixtrans-55.6-30.8-178.2-167.371.9000114.1P1180 V1186 D1223 V1225 D1241P1180-L1239 HydrophobicContact CB-CD1 3.9Å; P1180-L1239 HydrophobicContact CG-CD1 3.62Å; P1180-L1239 HydrophobicContact CG-CG 4.13Å; V1186-L1239 HydrophobicContact CG2-CD1 3.95Å; D1223-L1239 PolarHBondContact O-N 2.93Å; V1225-L1239 HydrophobicContact CG2-CD1 4.32Å; L1239-D1241 VanDerWaalsContact C-N 3.26Å; L1239-D1241 PolarHBondContact O-N 2.82Å
1240T83.2Confident84.6Confident97 Ų9754.2 Ų54.260%0.59529%0.29SS*.G310 helixtrans-65.1-27.6178.254.80000113.9P1238 R1243P1238-T1240 PolarHBondContact O-N 3.29Å; P1238-T1240 VanDerWaalsContact O-N 3.09Å; T1240-R1243 PolarHBondContact O-NH1 3.48Å
1241D86.5Confident83.9Confident74 Ų7452 Ų5240%0.39628%0.277SS..G310 helixtrans-101.8-2.2-169.6-67.514.2000111.5V1237 P1238 L1239V1237-D1241 HydrophobicContact CG1-CB 4.21Å; P1238-D1241 PolarHBondContact O-N 3.16Å; L1239-D1241 VanDerWaalsContact C-N 3.26Å; L1239-D1241 PolarHBondContact O-N 2.82Å
1242L89.8Confident83.2Confident0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans-88.1146.6172.8-74.6162.7000112P1180 V1192 C1193 A1194 V1225 V1227 V1237P1180-L1242 WeakPolarHBondContact CD-O 3.15Å; P1180-L1242 HydrophobicContact CG-CB 4.06Å; V1192-L1242 HydrophobicContact CB-CD2 3.96Å; V1192-L1242 HydrophobicContact CG1-CD2 4.44Å; V1192-L1242 HydrophobicContact CG2-CD2 3.95Å; C1193-L1242 CarbonylContact O-C 3.41Å; A1194-L1242 HydrophobicContact CB-CD2 3.91Å; V1225-L1242 HydrophobicContact CB-CD1 3.79Å; V1225-L1242 HydrophobicContact CG1-CD1 4.43Å; V1225-L1242 HydrophobicContact CG2-CD1 3.94Å; V1227-L1242 HydrophobicContact CG2-CD2 4.01Å; V1237-L1242 HydrophobicContact CB-CD1 4.28Å; V1237-L1242 HydrophobicContact CB-CD2 4.21Å; V1237-L1242 HydrophobicContact CB-CG 4.15Å; V1237-L1242 HydrophobicContact CG1-CD1 4.37Å; V1237-L1242 HydrophobicContact CG1-CD2 4.06Å; V1237-L1242 HydrophobicContact CG1-CG 3.8Å
1243R91.2Very high82.4Confident32 Ų3247.6 Ų47.612%0.12124%0.24CC..EExtended strand (participates in β ladder)trans-126.1142.7163.6-54.1-63.1177.6-86.8-8.2109.1L1048 E1177 V1178 F1179 V1192 C1193 L1204 T1240L1048-R1243 HydrophobicContact CD1-CB 3.94Å; L1048-R1243 HydrophobicContact CD1-CG 4.14Å; E1177-R1243 HydrophobicContact CG-CG 4.34Å; E1177-R1243 IonicContact OE1-CZ 3.64Å; E1177-R1243 IonicContact OE1-NE 3.67Å; E1177-R1243 PolarHBondContact OE1-NE 3.31Å; E1177-R1243 IonicContact OE1-NH2 2.75Å; V1178-R1243 CarbonylContact O-C 3.55Å; V1178-R1243 VanDerWaalsContact O-CA 3.29Å; V1178-R1243 WeakPolarHBondContact O-CA 3.5Å; F1179-R1243 VanDerWaalsContact CE1-NH1 3.28Å; F1179-R1243 VanDerWaalsContact CE1-NH2 3.27Å; F1179-R1243 VanDerWaalsContact CZ-NE 3.27Å; F1179-R1243 VanDerWaalsContact CZ-NH2 3.31Å; V1192-R1243 CarbonylContact C-O 3.58Å; V1192-R1243 WeakPolarHBondContact CA-O 3.12Å; V1192-R1243 WeakPolarHBondContact CB-O 3.49Å; C1193-R1243 PolarHBondContact N-O 2.67Å; C1193-R1243 PolarHBondContact O-N 3.18Å; L1204-R1243 HydrophobicContact CD1-CG 3.87Å; T1240-R1243 PolarHBondContact O-NH1 3.48Å
1244I92.1Very high81.5Confident21 Ų2148.8 Ų48.811%0.10824%0.244CC..EExtended strand (participates in β ladder)trans-75.3137.2173.4-57.7178.1000108.5T1028 V1178 P1180 V1186T1028-I1244 HydrophobicContact CG2-CG2 3.89Å; V1178-I1244 HydrophobicContact CB-CB 4.35Å; V1178-I1244 HydrophobicContact CG1-CB 4.39Å; V1178-I1244 HydrophobicContact CG1-CD1 4.18Å; V1178-I1244 PolarHBondContact O-N 3.13Å; P1180-I1244 HydrophobicContact CB-CD1 4.12Å; P1180-I1244 HydrophobicContact CB-CG1 4.17Å; V1186-I1244 HydrophobicContact CG1-CG1 4.17Å
1245L91.1Very high80.6Confident2 Ų246.4 Ų46.41%0.0123%0.234CC..  trans-112.9154.9169.7-69.5-177.8000110.2L1048 L1055 R1191 V1192 C1193 P1206 F1249L1048-L1245 HydrophobicContact CD1-CD2 4.17Å; L1055-L1245 HydrophobicContact CD1-CD1 4.36Å; L1055-L1245 HydrophobicContact CD2-CD2 3.78Å; R1191-L1245 HydrophobicContact CB-CB 4.12Å; R1191-L1245 PolarHBondContact O-N 2.91Å; V1192-L1245 WeakPolarHBondContact O-CD1 3.36Å; C1193-L1245 HydrophobicContact CB-CD1 3.78Å; C1193-L1245 HydrophobicContact CB-CG 4.2Å; P1206-L1245 HydrophobicContact CB-CD1 3.99Å; L1245-F1249 HydrophobicContact CB-CB 4.17Å; L1245-F1249 HydrophobicContact CB-CD2 4.32Å; L1245-F1249 HydrophobicContact CB-CG 4.32Å; L1245-F1249 HydrophobicContact CD1-CB 4.35Å; L1245-F1249 HydrophobicContact CD1-CD1 3.92Å; L1245-F1249 HydrophobicContact CD1-CD2 3.81Å; L1245-F1249 HydrophobicContact CD1-CE1 4.21Å; L1245-F1249 HydrophobicContact CD1-CE2 4.12Å; L1245-F1249 HydrophobicContact CD1-CG 3.74Å; L1245-F1249 HydrophobicContact CD1-CZ 4.32Å; L1245-F1249 HydrophobicContact CD2-CD2 3.99Å; L1245-F1249 HydrophobicContact CD2-CE2 4.19Å; L1245-F1249 HydrophobicContact CG-CD2 4.28Å; L1245-F1249 HydrophobicContact CG-CG 4.48Å
1246P84.7Confident79.6Confident18 Ų1844 Ų4412%0.11723%0.228CC..  trans-56.1145.5168.1-24.233.5000111.5I1031 V1175 Y1248 F1249I1031-P1246 WeakPolarHBondContact O-CB 3.42Å; I1031-P1246 WeakPolarHBondContact O-CG 3.47Å; V1175-P1246 HydrophobicContact CG1-CG 3.88Å; P1246-Y1248 PolarHBondContact O-N 3.13Å; P1246-F1249 WeakPolarHBondContact O-CB 3.46Å; P1246-F1249 PolarHBondContact O-N 3.33Å
1247D79.3Confident78.4Confident55 Ų5544.5 Ų44.529%0.29423%0.233SC..THydrogen-bonded Turntrans-58.6-38.2-178.6-66.7-7.7000112.1R1025 F1249R1025-D1247 IonicContact CZ-OD1 2.64Å; R1025-D1247 IonicContact CZ-OD2 3.46Å; R1025-D1247 VanDerWaalsContact NH1-CG 3.32Å; R1025-D1247 IonicContact NH1-OD1 2.67Å; R1025-D1247 PolarHBondContact NH1-OD1 2.98Å; R1025-D1247 IonicContact NH1-OD2 3.33Å; R1025-D1247 PolarHBondContact NH1-OD2 2.98Å; R1025-D1247 IonicContact NH2-OD1 2.7Å; R1025-D1247 PolarHBondContact NH2-OD1 2.94Å; R1025-D1247 IonicContact NH2-OD2 3.62Å; D1247-F1249 PolarHBondContact O-N 2.85Å
1248Y74Confident77Confident148 Ų14849.9 Ų49.958%0.5826%0.26SS*.THydrogen-bonded Turntrans-84.727.7177.8-51.2-67.5000112.9R1032 P1246 T1250R1032-Y1248 HydrophobicContact CG-CD2 4.14Å; P1246-Y1248 PolarHBondContact O-N 3.13Å; Y1248-T1250 PolarHBondContact O-N 2.94Å; Y1248-T1250 PolarHBondContact O-OG1 3.28Å; Y1248-T1250 VanDerWaalsContact O-OG1 3.06Å
1249F81.9Confident75.6Confident15 Ų1550.6 Ų50.67%0.06626%0.263CS..  trans-66.7114.9177.1-175.6-83000112.2I1050 L1055 V1175 R1191 P1206 L1245 P1246 D1247I1050-F1249 HydrophobicContact CD1-CE2 3.75Å; I1050-F1249 HydrophobicContact CD1-CZ 4.02Å; I1050-F1249 HydrophobicContact CG1-CE2 4.06Å; I1050-F1249 HydrophobicContact CG1-CZ 4.15Å; L1055-F1249 HydrophobicContact CD1-CE1 4.48Å; L1055-F1249 HydrophobicContact CD1-CE2 4.44Å; L1055-F1249 HydrophobicContact CD1-CZ 3.88Å; L1055-F1249 HydrophobicContact CD2-CE2 3.7Å; L1055-F1249 HydrophobicContact CD2-CZ 3.92Å; L1055-F1249 HydrophobicContact CG-CE2 4.38Å; L1055-F1249 HydrophobicContact CG-CZ 4.09Å; V1175-F1249 HydrophobicContact CG2-CE2 4.39Å; R1191-F1249 PolarHBondContact NH2-O 2.82Å; P1206-F1249 HydrophobicContact CB-CD1 4.04Å; P1206-F1249 HydrophobicContact CB-CE1 3.77Å; P1206-F1249 HydrophobicContact CG-CE1 4.1Å; L1245-F1249 HydrophobicContact CB-CB 4.17Å; L1245-F1249 HydrophobicContact CB-CD2 4.32Å; L1245-F1249 HydrophobicContact CB-CG 4.32Å; L1245-F1249 HydrophobicContact CD1-CB 4.35Å; L1245-F1249 HydrophobicContact CD1-CD1 3.92Å; L1245-F1249 HydrophobicContact CD1-CD2 3.81Å; L1245-F1249 HydrophobicContact CD1-CE1 4.21Å; L1245-F1249 HydrophobicContact CD1-CE2 4.12Å; L1245-F1249 HydrophobicContact CD1-CG 3.74Å; L1245-F1249 HydrophobicContact CD1-CZ 4.32Å; L1245-F1249 HydrophobicContact CD2-CD2 3.99Å; L1245-F1249 HydrophobicContact CD2-CE2 4.19Å; L1245-F1249 HydrophobicContact CG-CD2 4.28Å; L1245-F1249 HydrophobicContact CG-CG 4.48Å; P1246-F1249 WeakPolarHBondContact O-CB 3.46Å; P1246-F1249 PolarHBondContact O-N 3.33Å; D1247-F1249 PolarHBondContact O-N 2.85Å
1250T73.3Confident74Confident39 Ų3951.8 Ų51.824%0.23928%0.283CS..  trans-116.7142.1178.8-3.10000109.9R1033 Y1248 E1254 I1258R1033-T1250 PolarHBondContact NH1-O 2.89Å; R1033-T1250 PolarHBondContact NH1-OG1 2.84Å; R1033-T1250 PolarHBondContact NH2-O 2.85Å; Y1248-T1250 PolarHBondContact O-N 2.94Å; Y1248-T1250 PolarHBondContact O-OG1 3.28Å; Y1248-T1250 VanDerWaalsContact O-OG1 3.06Å; T1250-E1254 HydrophobicContact CG2-CB 3.74Å; T1250-E1254 HydrophobicContact CG2-CG 4.48Å; T1250-E1254 WeakPolarHBondContact CG2-OE2 3.25Å; T1250-I1258 HydrophobicContact CG2-CD1 4.2Å
1251N73.1Confident72.4Confident38 Ų3851.9 Ų51.920%0.20328%0.277CS..  trans-75168178.463.854.8000112.6C1253 E1254 L1255N1251-C1253 PolarHBondContact O-N 3.13Å; N1251-C1253 WeakPolarHBondContact OD1-CB 3.35Å; N1251-C1253 PolarHBondContact OD1-N 2.72Å; N1251-E1254 PolarHBondContact N-OE2 2.67Å; N1251-E1254 PolarHBondContact ND2-OE1 3.38Å; N1251-E1254 PolarHBondContact ND2-OE2 2.94Å; N1251-E1254 PolarHBondContact O-N 3.49Å; N1251-E1254 PolarHBondContact OD1-N 3.18Å; N1251-L1255 PolarHBondContact O-N 2.77Å
1252L69.3Low70.5Confident14 Ų1455 Ų557%0.07329%0.294CS..Hα-helixtrans-63.1-33.4-176.5-163.673.5000112I1050 Q1173 L1255 I1256 L1267I1050-L1252 HydrophobicContact CG2-CB 3.93Å; Q1173-L1252 HydrophobicContact CG-CD1 3.99Å; L1252-L1255 PolarHBondContact O-N 2.91Å; L1252-I1256 HydrophobicContact CG-CD1 4.48Å; L1252-I1256 WeakPolarHBondContact O-CD1 3.2Å; L1252-I1256 VanDerWaalsContact O-CG1 3.31Å; L1252-I1256 WeakPolarHBondContact O-CG1 3.37Å; L1252-I1256 PolarHBondContact O-N 3.12Å; L1252-L1267 HydrophobicContact CD1-CD1 4.14Å; L1252-L1267 HydrophobicContact CD1-CD2 4.33Å
1253C64.1Low68.5Low40 Ų4059.3 Ų59.327%0.2732%0.317SS..Hα-helixtrans-65.9-45.8177-59.20000111.3N1251 L1255 I1256 N1257N1251-C1253 PolarHBondContact O-N 3.13Å; N1251-C1253 WeakPolarHBondContact OD1-CB 3.35Å; N1251-C1253 PolarHBondContact OD1-N 2.72Å; C1253-L1255 VanDerWaalsContact C-N 3.34Å; C1253-I1256 PolarHBondContact O-N 2.81Å; C1253-N1257 PolarHBondContact O-N 2.89Å; C1253-N1257 PolarHBondContact O-ND2 2.76Å
1254E67.7Low66.4Low83 Ų8363 Ų6339%0.38834%0.338SS..Hα-helixtrans-61.7-40.6173.8-77.1147.7-15900111.8T1250 N1251 I1256 N1257 I1258T1250-E1254 HydrophobicContact CG2-CB 3.74Å; T1250-E1254 HydrophobicContact CG2-CG 4.48Å; T1250-E1254 WeakPolarHBondContact CG2-OE2 3.25Å; N1251-E1254 PolarHBondContact N-OE2 2.67Å; N1251-E1254 PolarHBondContact ND2-OE1 3.38Å; N1251-E1254 PolarHBondContact ND2-OE2 2.94Å; N1251-E1254 PolarHBondContact O-N 3.49Å; N1251-E1254 PolarHBondContact OD1-N 3.18Å; E1254-I1256 PolarHBondContact O-N 2.95Å; E1254-N1257 WeakPolarHBondContact O-CB 3.45Å; E1254-N1257 PolarHBondContact O-N 2.78Å; E1254-I1258 WeakPolarHBondContact O-CD1 3.38Å; E1254-I1258 VanDerWaalsContact O-CG1 3.25Å; E1254-I1258 WeakPolarHBondContact O-CG1 3.17Å; E1254-I1258 PolarHBondContact O-N 2.73Å
1255L64.8Low64.3Low30 Ų3068.7 Ų68.716%0.15737%0.369CS..Hα-helixtrans-60.3-44.8175.8-17164.4000111.5Q1172 N1251 L1252 C1253 N1257 I1258 T1259Q1172-L1255 HydrophobicContact CB-CD2 4.37Å; N1251-L1255 PolarHBondContact O-N 2.77Å; L1252-L1255 PolarHBondContact O-N 2.91Å; C1253-L1255 VanDerWaalsContact C-N 3.34Å; L1255-N1257 PolarHBondContact O-N 3.49Å; L1255-I1258 PolarHBondContact O-N 3.05Å; L1255-T1259 HydrophobicContact CD1-CG2 4.41Å; L1255-T1259 WeakPolarHBondContact O-CG2 3.11Å; L1255-T1259 PolarHBondContact O-N 3.33Å; L1255-T1259 PolarHBondContact O-OG1 2.88Å
1256I63.3Low62.3Low55 Ų5570.5 Ų70.528%0.28238%0.381SS..Hα-helixtrans-58.5-47.6173.4-67.9160.8000110.6L1252 C1253 E1254 I1258 T1259 G1260 L1267L1252-I1256 HydrophobicContact CG-CD1 4.48Å; L1252-I1256 WeakPolarHBondContact O-CD1 3.2Å; L1252-I1256 VanDerWaalsContact O-CG1 3.31Å; L1252-I1256 WeakPolarHBondContact O-CG1 3.37Å; L1252-I1256 PolarHBondContact O-N 3.12Å; C1253-I1256 PolarHBondContact O-N 2.81Å; E1254-I1256 PolarHBondContact O-N 2.95Å; I1256-I1258 VanDerWaalsContact C-N 3.33Å; I1256-I1258 PolarHBondContact O-N 2.79Å; I1256-T1259 PolarHBondContact O-N 2.89Å; I1256-T1259 PolarHBondContact O-OG1 3.3Å; I1256-T1259 VanDerWaalsContact O-OG1 3.13Å; I1256-G1260 PolarHBondContact O-N 2.91Å; I1256-L1267 HydrophobicContact CD1-CD1 4.3Å; I1256-L1267 HydrophobicContact CG1-CD1 3.61Å
1257N59.9Low60.7Low78 Ų7870.1 Ų70.142%0.41738%0.378SS..Hα-helixtrans-60-39.1178.1-73.3-68.9000112.9C1253 E1254 L1255 R1510C1253-N1257 PolarHBondContact O-N 2.89Å; C1253-N1257 PolarHBondContact O-ND2 2.76Å; E1254-N1257 WeakPolarHBondContact O-CB 3.45Å; E1254-N1257 PolarHBondContact O-N 2.78Å; L1255-N1257 PolarHBondContact O-N 3.49Å; N1257-R1510 PolarHBondContact ND2-NH2 2.83Å; N1257-R1510 PolarHBondContact OD1-NE 2.95Å; N1257-R1510 PolarHBondContact OD1-NH2 3.25Å
1258I58.6Low59.3Low123 Ų12370.9 Ų70.963%0.63139%0.385SS*.Hα-helixtrans-73-42.3179.1-67.6161.1000111T1250 E1254 L1255 I1256 G1260T1250-I1258 HydrophobicContact CG2-CD1 4.2Å; E1254-I1258 WeakPolarHBondContact O-CD1 3.38Å; E1254-I1258 VanDerWaalsContact O-CG1 3.25Å; E1254-I1258 WeakPolarHBondContact O-CG1 3.17Å; E1254-I1258 PolarHBondContact O-N 2.73Å; L1255-I1258 PolarHBondContact O-N 3.05Å; I1256-I1258 VanDerWaalsContact C-N 3.33Å; I1256-I1258 PolarHBondContact O-N 2.79Å; I1258-G1260 PolarHBondContact O-N 2.87Å
1259T56.4Low57.8Low69 Ų6965.9 Ų65.942%0.42337%0.37SS..Hα-helixtrans-70.3-18.7-177.454.10000114L1255 I1256 E1261L1255-T1259 HydrophobicContact CD1-CG2 4.41Å; L1255-T1259 WeakPolarHBondContact O-CG2 3.11Å; L1255-T1259 PolarHBondContact O-N 3.33Å; L1255-T1259 PolarHBondContact O-OG1 2.88Å; I1256-T1259 PolarHBondContact O-N 2.89Å; I1256-T1259 PolarHBondContact O-OG1 3.3Å; I1256-T1259 VanDerWaalsContact O-OG1 3.13Å; T1259-E1261 PolarHBondContact O-N 3.11Å
1260G49.6Very low55.8Low56 Ų5668.6 Ų68.658%0.57739%0.39SS*.  trans65.9-9.6175.700000115.5I1256 I1258 N1262I1256-G1260 PolarHBondContact O-N 2.91Å; I1258-G1260 PolarHBondContact O-N 2.87Å; G1260-N1262 PolarHBondContact O-N 2.75Å
1261E49.2Very low54.1Low100 Ų10072.1 Ų72.147%0.46741%0.407SS..  trans-66.5116.4176.7-69.5-164.5-162.100110.2T1259 N1263T1259-E1261 PolarHBondContact O-N 3.11Å; E1261-N1263 HydrophobicContact CB-CB 4.17Å; E1261-N1263 PolarHBondContact O-N 3.36Å; E1261-N1263 PolarHBondContact OE2-ND2 2.87Å
1262N48.2Very low51.9Low140 Ų14076.1 Ų76.175%0.74943%0.427SS*.  trans-63.26.4169.4-66-38.6000113.4G1260 I1264G1260-N1262 PolarHBondContact O-N 2.75Å; N1262-I1264 PolarHBondContact O-N 2.91Å
1263N46.1Very low50Low89 Ų8978.4 Ų78.448%0.47644%0.444SS..  trans-75.157.8174.5-65.9-38.8000112E1261 N1265 C1266E1261-N1263 HydrophobicContact CB-CB 4.17Å; E1261-N1263 PolarHBondContact O-N 3.36Å; E1261-N1263 PolarHBondContact OE2-ND2 2.87Å; N1263-N1265 PolarHBondContact O-N 3.12Å; N1263-C1266 HydrophobicContact CB-CB 4.08Å; N1263-C1266 PolarHBondContact O-N 2.91Å; N1263-C1266 PolarHBondContact O-SG 3.01Å
1264I48.4Very low48.4Very low111 Ų11181.7 Ų81.757%0.56947%0.467SS*.Hα-helixtrans-49.6-30.1173.3-62.2169.4000111.4N1262 C1266 T1268N1262-I1264 PolarHBondContact O-N 2.91Å; I1264-C1266 PolarHBondContact O-N 3.46Å; I1264-T1268 PolarHBondContact O-OG1 3.41Å
1265N48.3Very low46.6Very low140 Ų14083.8 Ų83.875%0.74948%0.481SS*.Hα-helixtrans-74.1-17.4179.3-62.1-26.2000114.9N1263N1263-N1265 PolarHBondContact O-N 3.12Å
1266C48.4Very low44.6Very low40 Ų4093.1 Ų93.127%0.2752%0.516SS..Hα-helixtrans-77.2-36.3-177.379.60000111.9W1168 Q1169 N1263 I1264W1168-C1266 HydrophobicContact CH2-CB 3.85Å; W1168-C1266 VanDerWaalsContact CH2-O 3.24Å; W1168-C1266 WeakPolarHBondContact CH2-O 3.25Å; Q1169-C1266 PolarHBondContact NE2-O 3.44Å; N1263-C1266 HydrophobicContact CB-CB 4.08Å; N1263-C1266 PolarHBondContact O-N 2.91Å; N1263-C1266 PolarHBondContact O-SG 3.01Å; I1264-C1266 PolarHBondContact O-N 3.46Å
1267L50.5Low42.8Very low9 Ų998.1 Ų98.15%0.04754%0.543CS..Hα-helixtrans-91.7-4.5174.6-70.1172.5000113.6W1168 Q1172 Q1173 L1252 I1256 P1269W1168-L1267 HydrophobicContact CZ3-CD2 4.47Å; Q1172-L1267 HydrophobicContact CB-CD2 4.13Å; Q1173-L1267 HydrophobicContact CG-CD2 3.93Å; Q1173-L1267 VanDerWaalsContact NE2-CA 3.31Å; Q1173-L1267 VanDerWaalsContact NE2-CD2 3.28Å; Q1173-L1267 PolarHBondContact NE2-O 2.9Å; L1252-L1267 HydrophobicContact CD1-CD1 4.14Å; L1252-L1267 HydrophobicContact CD1-CD2 4.33Å; I1256-L1267 HydrophobicContact CD1-CD1 4.3Å; I1256-L1267 HydrophobicContact CG1-CD1 3.61Å; L1267-P1269 WeakPolarHBondContact O-CD 3.25Å
1268T49.7Very low41.3Very low72 Ų72100.1 Ų100.144%0.44256%0.562SS.*SBendtrans-73.9122.6171.5-60.40000109.2I1264 C1270I1264-T1268 PolarHBondContact O-OG1 3.41Å; T1268-C1270 PolarHBondContact O-N 2.88Å
1269P43.6Very low39.6Very low43 Ų43102.5 Ų102.528%0.27958%0.576SS.*  trans-62.9139.5-179.323.9-33.3000111.1L1163 L1165 L1267 L1271L1163-P1269 HydrophobicContact CD1-CB 3.6Å; L1163-P1269 HydrophobicContact CD1-CG 4.29Å; L1163-P1269 HydrophobicContact CG-CB 4.42Å; L1165-P1269 HydrophobicContact CD2-CB 4.39Å; L1267-P1269 WeakPolarHBondContact O-CD 3.25Å; P1269-L1271 HydrophobicContact CG-CG 4.5Å; P1269-L1271 PolarHBondContact O-N 2.88Å
1270C39.6Very low37.9Very low71 Ų71109.8 Ų109.848%0.4860%0.595SS.*  trans-69.878.1173.4-80.40000110.7T1268 I1272T1268-C1270 PolarHBondContact O-N 2.88Å; C1270-I1272 HydrophobicContact CB-CG1 4.31Å; C1270-I1272 PolarHBondContact O-N 3.22Å
1271L37Very low36.9Very low113 Ų113116.1 Ų116.159%0.59261%0.609SS**  trans-71.277.3166.6-63.5-177.7000108.9L1163 P1269 S1273L1163-L1271 HydrophobicContact CD1-CD2 4.37Å; P1269-L1271 HydrophobicContact CG-CG 4.5Å; P1269-L1271 PolarHBondContact O-N 2.88Å; L1271-S1273 PolarHBondContact O-N 3.32Å
1272I27.9Very low35.6Very low123 Ų123118 Ų11863%0.63162%0.623SS**  trans-63.698.2-179.1-60.1175.1000109.5C1270C1270-I1272 HydrophobicContact CB-CG1 4.31Å; C1270-I1272 PolarHBondContact O-N 3.22Å
1273S29.2Very low34.6Very low62 Ų62116.4 Ų116.443%0.43462%0.622SS.*  trans-67.1134.2145.6-163.80000107.2L1271 D1275L1271-S1273 PolarHBondContact O-N 3.32Å; S1273-D1275 WeakPolarHBondContact CB-OD2 3.47Å; S1273-D1275 PolarHBondContact O-N 3.4Å; S1273-D1275 PolarHBondContact OG-OD2 3.42Å
1274S30.1Very low33.6Very low108 Ų108119.4 Ų119.476%0.75564%0.639SS**THydrogen-bonded Turntrans-74.629.3-163.2-173.70000114.7
1275D30.4Very low32.5Very low127 Ų127122 Ų12268%0.67965%0.652SS**THydrogen-bonded Turntrans-990.9-165.1-54.8-57.2000113S1273 L1277S1273-D1275 WeakPolarHBondContact CB-OD2 3.47Å; S1273-D1275 PolarHBondContact O-N 3.4Å; S1273-D1275 PolarHBondContact OG-OD2 3.42Å; D1275-L1277 PolarHBondContact O-N 3.49Å
1276Y23Very low31.4Very low226 Ų226121.6 Ų121.689%0.88665%0.65SS**SBendtrans-75.332175-129.9-81.8000114.3
1277L25Very low30.3Very low161 Ų161126.4 Ų126.484%0.84367%0.673SS**SBendtrans-151.866.7173.7-76.3-176.5000111.7D1275D1275-L1277 PolarHBondContact O-N 3.49Å
1278S28.1Very low29.2Very low119 Ų119133.6 Ų133.683%0.83271%0.711SS**  trans-170.874.4155.4-80.90000112.5
1279L22.9Very low28.1Very low173 Ų173138.3 Ų138.391%0.90673%0.734SS**  trans-95131150.2-143.478.7000107.1
1280R20.9Very low27.4Very low223 Ų223139.2 Ų139.284%0.84275%0.751SS**  trans112.2103.1-176.4-66.8161-173.2-109.7-3.1113.8
1281H27.8Very low26.8Very low188 Ų188146.1 Ų146.187%0.8777%0.773SS**  -158.4118.5112.2-109.3-64.2000110.2
1282D22.8Very low26.5Very low141 Ų141148 Ų14875%0.75478%0.784SS**  trans-64.8144170.7-39.6-86.6000110.5
1283S27.9Very low26.6Very low105 Ų105150.3 Ų150.373%0.73480%0.797SS**  trans-174.810914049.80000111.4I1285S1283-I1285 PolarHBondContact O-N 2.93Å
1284N23.4Very low26.6Very low153 Ų153149.8 Ų149.882%0.81880%0.802SS**  trans0.1109.1150.9-56.3-6.6000115.9
1285I26Very low26.5Very low166 Ų166153.9 Ų153.985%0.85181%0.806SS**  trans-112.6107.5152.7-65.3-179.8000106S1283S1283-I1285 PolarHBondContact O-N 2.93Å
1286N26.3Very low26.3Very low130 Ų130157.6 Ų157.670%0.69582%0.816SS**  trans-64.5143.4178.6-76.9-7.2000111.4
1287N24.6Very low26.5Very low142 Ų142152.4 Ų152.476%0.75981%0.808SS**  trans0.7113.2153.1-59.6-5000116.3
1288N27.8Very low26.7Very low160 Ų160149.6 Ų149.686%0.85680%0.802SS**  trans-129.2105.1144.4-83.8-51.3000107.4G1290N1288-G1290 PolarHBondContact O-N 3.03Å
1289N26.2Very low26.4Very low171 Ų171155 Ų15591%0.91480%0.804SS**  trans-69.297.1171.6-78.7-12.6000108.7
1290G28.5Very low26.6Very low62 Ų62153.9 Ų153.964%0.63980%0.797SS**  trans-128.9112171.200000109.5N1288 D1292N1288-G1290 PolarHBondContact O-N 3.03Å; G1290-D1292 VanDerWaalsContact C-N 3.3Å; G1290-D1292 PolarHBondContact O-N 3.16Å
1291K26.8Very low26.8Very low216 Ų216152.8 Ų152.894%0.93979%0.793SS**  trans-67.587.4170.8-78.8179.3173177.30109.4
1292D31.2Very low26.6Very low153 Ų153154 Ų15482%0.81879%0.79SS**  trans-119.5109.9163.6-95.8-38.2000109.3G1290 G1294G1290-D1292 VanDerWaalsContact C-N 3.3Å; G1290-D1292 PolarHBondContact O-N 3.16Å; D1292-G1294 PolarHBondContact O-N 2.98Å
1293N28.8Very low26.8Very low170 Ų170155.4 Ų155.491%0.90979%0.792SS**  trans-72.258.2176.8-77-26.5000111.6K1295N1293-K1295 VanDerWaalsContact C-N 3.27Å; N1293-K1295 PolarHBondContact O-N 3.36Å
1294G29.6Very low26.6Very low52 Ų52154.4 Ų154.454%0.53679%0.785SS.*  trans-77.470.2174.400000111.6D1292 F1296D1292-G1294 PolarHBondContact O-N 2.98Å; G1294-F1296 WeakPolarHBondContact O-CD2 3.45Å; G1294-F1296 PolarHBondContact O-N 3.49Å
1295K29.4Very low26.8Very low194 Ų194154.6 Ų154.684%0.84379%0.786SS**  trans-53106.9163.8-89.9-177175.5175.30107.7N1293 V1297N1293-K1295 VanDerWaalsContact C-N 3.27Å; N1293-K1295 PolarHBondContact O-N 3.36Å; K1295-V1297 HydrophobicContact CB-CG2 4.34Å; K1295-V1297 PolarHBondContact O-N 3.14Å
1296F24.3Very low27.1Very low205 Ų205154.6 Ų154.690%0.89979%0.786SS**  trans-69.869.1169.3-86.4-89.7000109.1G1294 S1298G1294-F1296 WeakPolarHBondContact O-CD2 3.45Å; G1294-F1296 PolarHBondContact O-N 3.49Å; F1296-S1298 PolarHBondContact O-N 3.26Å
1297V28.8Very low27.2Very low116 Ų116155.3 Ų155.370%0.70379%0.79SS**  trans-6298.5160-1800000105.4K1295 R1299K1295-V1297 HydrophobicContact CB-CG2 4.34Å; K1295-V1297 PolarHBondContact O-N 3.14Å; V1297-R1299 VanDerWaalsContact C-N 3.29Å; V1297-R1299 PolarHBondContact O-N 2.95Å
1298S28.7Very low27.2Very low102 Ų102157.1 Ų157.171%0.71379%0.794SS**  trans-50.598.6169.5-76.70000107.7F1296 I1300F1296-S1298 PolarHBondContact O-N 3.26Å; S1298-I1300 PolarHBondContact O-N 3.04Å
1299R22.2Very low27Very low233 Ų233157.4 Ų157.488%0.87980%0.795SS**  trans-74.871.4-171.9-168.4-177.1-64.9160.90.5108.8V1297 R1301V1297-R1299 VanDerWaalsContact C-N 3.29Å; V1297-R1299 PolarHBondContact O-N 2.95Å; R1299-R1301 PolarHBondContact O-N 2.67Å
1300I26.5Very low26.9Very low149 Ų149154.7 Ų154.776%0.76479%0.785SS**  trans-54.5107.1164.8-65.4173.6000104.8S1298 R1302S1298-I1300 PolarHBondContact O-N 3.04Å; I1300-R1302 VanDerWaalsContact C-N 3.29Å; I1300-R1302 PolarHBondContact O-N 2.84Å
1301R25.4Very low26.7Very low200 Ų200156.7 Ų156.776%0.75579%0.79SS**  trans-67.991.7-174.3-176.7177.9-70.3169-2.5107.8R1299 H1303R1299-R1301 PolarHBondContact O-N 2.67Å; R1301-H1303 WeakPolarHBondContact CD-NE2 3.23Å; R1301-H1303 PolarHBondContact O-CD2 3.13Å; R1301-H1303 PolarHBondContact O-N 3.38Å
1302R23.4Very low26.5Very low213 Ų213157.9 Ų157.980%0.80479%0.788SS**  trans-56.9108.1167-65-173.1-175.9-178.21.8106.6I1300 S1304I1300-R1302 VanDerWaalsContact C-N 3.29Å; I1300-R1302 PolarHBondContact O-N 2.84Å; R1302-S1304 PolarHBondContact O-N 3.46Å; R1302-S1304 VanDerWaalsContact O-N 3.09Å
1303H25.9Very low26.2Very low171 Ų171155.4 Ų155.479%0.79278%0.783SS**  trans-80.579.7165.8-81.1-82.9000106.9R1301R1301-H1303 WeakPolarHBondContact CD-NE2 3.23Å; R1301-H1303 PolarHBondContact O-CD2 3.13Å; R1301-H1303 PolarHBondContact O-N 3.38Å
1304S24Very low25.9Very low84 Ų84158.3 Ų158.359%0.58778%0.783SS**  trans-136.854.1176.960.80000109.3R1302R1302-S1304 PolarHBondContact O-N 3.46Å; R1302-S1304 VanDerWaalsContact O-N 3.09Å
1305D27.6Very low25.7Very low158 Ų158164 Ų16485%0.84580%0.795SS**  trans-150.791.1173.4-76.5-49.5000108.1
1306L32.2Very low25.4Very low165 Ų165159.7 Ų159.786%0.86479%0.789SS**  trans-151.5133.2145.2-165.963.6000109.1
1307D28.5Very low25.3Very low146 Ų146161.6 Ų161.678%0.78179%0.791SS**  trans-72.1166.2-159.3-55.3-83.8000115.6N1309D1307-N1309 PolarHBondContact O-N 3.18Å
1308H25.2Very low25.1Very low180 Ų180161 Ų16183%0.83379%0.791SS**  trans-46.1124.3162.8-59.5-31.9000111.9
1309N24.4Very low24.9Very low165 Ų165164.9 Ų164.988%0.88280%0.798SS**  trans-133.694.5144.1-112.3-39.7000110.2D1307D1307-N1309 PolarHBondContact O-N 3.18Å
1310T22.7Very low24.9Very low114 Ų114158.4 Ų158.470%0.69979%0.789SS**  trans-25.7130.8157.2-53.60000114.1
1311S23.9Very low24.8Very low105 Ų105156.4 Ų156.473%0.73478%0.784SS**  trans47.7103.5152-54.60000118.7
1312R24.6Very low24.7Very low241 Ų241152.5 Ų152.591%0.90979%0.787SS**  trans-145.2109.8130.2-112.8163.3-165.2-108.4-0.2111Y1314R1312-Y1314 PolarHBondContact O-N 3.12Å
1313S23.3Very low25.1Very low100 Ų100147.8 Ų147.870%0.69978%0.784SS**  trans-60.3121.7168.5370000110H1315S1313-H1315 VanDerWaalsContact C-N 3.28Å; S1313-H1315 PolarHBondContact O-N 3.27Å
1314Y23.2Very low25.1Very low232 Ų232147.7 Ų147.791%0.9179%0.788SS**  trans-79.290.7147.3-80-82.4000106.9R1312R1312-Y1314 PolarHBondContact O-N 3.12Å
1315H25.5Very low25.3Very low171 Ų171151.8 Ų151.879%0.79280%0.798SS**  trans-66.7147.6155.1-100.724.7000109.1S1313 W1317S1313-H1315 VanDerWaalsContact C-N 3.28Å; S1313-H1315 PolarHBondContact O-N 3.27Å; H1315-W1317 PolarHBondContact O-N 3.12Å
1316S23.8Very low25.3Very low104 Ų104151.4 Ų151.473%0.72780%0.796SS**  trans-52.8136.8178-176.40000111.3S1318S1316-S1318 PolarHBondContact O-N 3.46Å
1317W21Very low24.9Very low245 Ų245149.8 Ų149.893%0.92879%0.793SS**  trans-77.780.6163.4-141.3-23.9000107.5H1315 Q1319H1315-W1317 PolarHBondContact O-N 3.12Å; W1317-Q1319 PolarHBondContact O-N 3.42Å
1318S24.4Very low24.8Very low103 Ų103151.5 Ų151.572%0.7280%0.798SS**PPolyproline II helixtrans-68.1121.1159.734.80000107.8S1316S1316-S1318 PolarHBondContact O-N 3.46Å
1319Q24.4Very low24.7Very low184 Ų184147.4 Ų147.486%0.8679%0.79SS**PPolyproline II helixtrans-70.3132.8173-69.6177.42.400109W1317W1317-Q1319 PolarHBondContact O-N 3.42Å
1320S23Very low24.7Very low97 Ų97147.1 Ų147.168%0.67879%0.788SS**PPolyproline II helixtrans-66.5172.3154.167.50000108.6
1321T24.4Very low24.6Very low107 Ų107147.2 Ų147.266%0.65679%0.791SS**  cis-169.9149.420-13.70000106.4
1322S22.5Very low24.6Very low118 Ų118147.5 Ų147.583%0.82579%0.793SS**  trans-94.1113.1147.1-60.20000107.4
1323P31.8Very low24.8Very low114 Ų114141.8 Ų141.874%0.7479%0.788SS**PPolyproline II helixtrans-79.8120.3174.4-8.326.2000109.8
1324L27.5Very low24.9Very low169 Ų169147.4 Ų147.489%0.88579%0.794SS**PPolyproline II helixtrans-88.7131.7159.3-84.6169.4000109
1325H26.7Very low25Very low170 Ų170142.5 Ų142.579%0.78778%0.78SS**PPolyproline II helixtrans-59.3133.9147.9-85.1-112.5000107.1
1326D27.3Very low25Very low149 Ų149140.6 Ų140.680%0.79778%0.776SS**  -157.3154.761.6-92.4-42.5000113.4
1327T24.6Very low25Very low131 Ų131140.5 Ų140.580%0.80477%0.771SS**  trans-113.9110.9176.850.80000112
1328M26.3Very low25.2Very low182 Ų182135.5 Ų135.590%0.89776%0.763SS**  trans-131.4101.5153.4-72.9-66.9173.800106.2
1329S23Very low25.4Very low94 Ų94139 Ų13966%0.65777%0.772SS**  71.8115.875.2-167.90000113
1330L25.4Very low25.4Very low160 Ų160137.3 Ų137.384%0.83877%0.767SS**  trans125.2104.7150.4-74.2142.9000115.9
1331C20.3Very low25.6Very low115 Ų115139.2 Ų139.278%0.77777%0.768SS**  trans-83.4130.6160.1-171.20000109
1332S22.9Very low25.7Very low111 Ų111140.6 Ų140.678%0.77677%0.772SS**  trans-168.8102.4161.5-84.90000112.3
1333P29.7Very low25.8Very low122 Ų122139.2 Ų139.279%0.79276%0.762SS**  trans-92.8131.916233.4-27.8000110.5
1334R24.7Very low25.6Very low218 Ų218142.4 Ų142.482%0.82376%0.764SS**  trans-152.6124.8-179-171165.1-173.6-179.83.4114.9
1335M25.1Very low25.4Very low128 Ų128142.5 Ų142.563%0.63176%0.758SS**  trans74.2131.1153.9-67.9-82.3-177.700121.7
1336N26.2Very low25.2Very low131 Ų131142.7 Ų142.770%0.70176%0.757SS**  trans67.9147136-66.3-5.9000119.2
1337T24.8Very low25.2Very low102 Ų102144.5 Ų144.563%0.62676%0.758SS**  cis-165.4162.32.59.80000110.4
1338N24.3Very low25.3Very low141 Ų141143.2 Ų143.275%0.75475%0.75SS**  trans62.6112.1154.2-54.9-20.4000119.6
1339L28.9Very low25.2Very low175 Ų175143.6 Ų143.692%0.91675%0.749SS**  -172.5155.399.8-97.3163.6000113
1340M24.7Very low25.6Very low150 Ų150148.9 Ų148.974%0.73976%0.761SS**  trans-83.6161.8-159.2-104.4156.460.700116.9
1341L26.8Very low25.5Very low137 Ų137148.8 Ų148.872%0.71776%0.761SS**  trans70.2139149.4-66.6164.8000118.2
1342D26.3Very low26Very low135 Ų135148.6 Ų148.672%0.72276%0.761SS**  cis-160161.2-7.8-149.9-11.2000113.2
1343S24.2Very low26.2Very low90 Ų90150.8 Ų150.863%0.62976%0.764SS**  trans74.6106.9149.773.20000123.8
1344K27.6Very low26Very low181 Ų181154.1 Ų154.179%0.78777%0.766SS**  98.6107.7120.2-74-176.6179.2175.60123.8
1345F23.1Very low26.1Very low171 Ų171151 Ų15175%0.7577%0.765SS**  trans58.8118.6144.2-61.5-76.9000120.7
1346F23.2Very low26Very low173 Ų173150 Ų15076%0.75977%0.766SS**  cis78.8116.846.4-89-80000117.7T1348F1346-T1348 HydrophobicContact CD1-CG2 4.05Å; F1346-T1348 HydrophobicContact CE1-CG2 4.33Å
1347F27.4Very low26Very low188 Ų188152 Ų15283%0.82577%0.771SS**  trans164.180.6132.5-91-65.6000109.3
1348T26.4Very low25.8Very low104 Ų104157.6 Ų157.664%0.63878%0.78SS**  57.5111.994.365.80000117.4F1346F1346-T1348 HydrophobicContact CD1-CG2 4.05Å; F1346-T1348 HydrophobicContact CE1-CG2 4.33Å
1349E23.9Very low26Very low189 Ų189158.6 Ų158.688%0.88378%0.784SS**  trans-63.9157.4165.4-54.8162.811700112.9
1350K30.8Very low25.7Very low206 Ų206158.9 Ų158.990%0.89678%0.778SS**  trans-140.6135155.3-84.3-170.5177.9172.50112.6
1351N24.7Very low25.7Very low157 Ų157156.1 Ų156.184%0.8477%0.774SS**  trans-69.7149.5177.1-61.6-72.4000112.9
1352S30.2Very low25.6Very low111 Ų111156 Ų15678%0.77677%0.774SS**  171.4132.1107.348.30000115.4
1353N26.2Very low25.4Very low157 Ų157160 Ų16084%0.8478%0.778SS**  trans4.6134.8147.7-49.1-37.4000119.7
1354K26.7Very low25.6Very low192 Ų192161.7 Ų161.784%0.83579%0.785SS**  146.5141.799.7-161.9177.4-175.3-179.70114
1355L25.5Very low25.5Very low153 Ų153163.7 Ų163.780%0.80179%0.788SS**  trans92.4138.8153.6-141.963.9000120.2
1356T23.8Very low25.7Very low106 Ų106162.9 Ų162.965%0.6578%0.784SS**  trans-95156-176.448.50000112.9
1357H26.6Very low25.8Very low174 Ų174160.8 Ų160.881%0.80678%0.781SS**  trans151.8107.2144.5-83.9-68.5000108
1358R20.9Very low25.7Very low219 Ų219157 Ų15783%0.82678%0.778SS**  64.189.671.6-165.8-171.7-163.9168.77.5114.9
1359I27.3Very low25.9Very low162 Ų162160.1 Ų160.183%0.83179%0.785SS**  trans-165.5115.3146.3-85.7132.5000103.9
1360K22.6Very low25.8Very low182 Ų182158.3 Ų158.379%0.79178%0.781SS**  63.198.968.3-85.9-160.6171.2-167.90116.1
1361S25.5Very low25.4Very low92 Ų92153.2 Ų153.264%0.64377%0.771SS**  trans53.7123.2137.861.10000120.3
1362N23.8Very low25.3Very low134 Ų134150.9 Ų150.972%0.71777%0.767SS**  -180148.194.9-93.7-49000114.3
1363R22Very low25Very low219 Ų219150.9 Ų150.983%0.82677%0.767SS**  trans28.4132.5143.1-59.2173.1171.9179.2-4.9119.8
1364T28.7Very low24.9Very low125 Ų125148.9 Ų148.977%0.76777%0.765SS**  178.5137.698.537.60000113.2
1365R26.7Very low25Very low224 Ų224143.9 Ų143.985%0.84575%0.754SS**  trans60.7151.9143.3-75.9179.9165.5168.2-3.7118.3
1366K26.5Very low24.9Very low154 Ų154144.8 Ų144.867%0.6776%0.76SS**  cis-156.3140.38-123.5-178.4174-173.10110.5
1367D24.9Very low24.9Very low129 Ų129150.3 Ų150.369%0.6977%0.769SS**  trans51.7139.1136-51.6-13000125
1368S26.2Very low24.8Very low109 Ų109148.5 Ų148.576%0.76277%0.77SS**  trans84.1155.2150.877.20000119.9
1369Q29.8Very low24.9Very low168 Ų168146.5 Ų146.579%0.78577%0.772SS**  trans69.569-166.6-45.4-56.6-10.700113.8
1370L23.1Very low24.7Very low152 Ų152147.1 Ų147.180%0.79677%0.772SS**  58.5111.281.6-78.7166.6000116.2
1371S22.7Very low24.7Very low98 Ų98144.2 Ų144.269%0.68577%0.773SS**  trans61.1125.3140.761.60000122.1
1372S22.5Very low24.6Very low109 Ų109145.1 Ų145.176%0.76278%0.775SS**  trans106128.8130.776.30000119.7
1373S23.2Very low24.6Very low111 Ų111145.1 Ų145.178%0.77678%0.779SS**  trans70.381144.1-56.40000119.9
1374S23.7Very low24.8Very low115 Ų115140.9 Ų140.980%0.80477%0.773SS**  -1.8162.4120.1-159.50000120
1375S28.6Very low24.5Very low86 Ų86139.7 Ų139.760%0.60177%0.77SS**  trans72.5106-172740000112.3R1377S1375-R1377 VanDerWaalsContact C-N 3.33Å
1376N24.2Very low24.3Very low173 Ų173136.2 Ų136.293%0.92577%0.767SS**  cis47.850.638.3-78.8-2.8000112
1377R24.4Very low24.2Very low222 Ų222137.3 Ų137.384%0.83878%0.778SS**  trans-90.2117.9148.5-81.6-170.6172.7-165.4-2.8109.1S1375 M1379S1375-R1377 VanDerWaalsContact C-N 3.33Å; R1377-M1379 PolarHBondContact O-N 3.32Å
1378T23.6Very low24Very low135 Ų135135.5 Ų135.583%0.82878%0.776SS**  trans-44.3132.6155360000109.8E1380T1378-E1380 PolarHBondContact O-N 3.21Å
1379M23.9Very low24.4Very low178 Ų178136.1 Ų136.188%0.87778%0.777SS**  trans-61.597.4172.9-79.1-81.5-176.300109.7R1377R1377-M1379 PolarHBondContact O-N 3.32Å
1380E21.4Very low24.1Very low175 Ų175134.1 Ų134.182%0.81878%0.777SS**  trans-64.9142.7154.1-156.8166.5-157.200107.9T1378 T1382T1378-E1380 PolarHBondContact O-N 3.21Å; E1380-T1382 PolarHBondContact O-N 3.21Å; E1380-T1382 VanDerWaalsContact O-N 3.09Å
1381C23.6Very low24.2Very low120 Ų120135 Ų13581%0.81178%0.777SS**  trans-69.2111.9-165.143.30000113V1383C1381-V1383 PolarHBondContact O-N 2.7Å
1382T23.5Very low24.2Very low111 Ų111135.5 Ų135.568%0.68178%0.775SS**  trans-48.5103.4151.2-23.90000110.2E1380E1380-T1382 PolarHBondContact O-N 3.21Å; E1380-T1382 VanDerWaalsContact O-N 3.09Å
1383V23.7Very low24.1Very low134 Ų134136.6 Ų136.681%0.81278%0.778SS**  trans-146.1107.9132.2-175.30000109.1C1381 S1385C1381-V1383 PolarHBondContact O-N 2.7Å; V1383-S1385 PolarHBondContact O-N 3.32Å
1384N25.6Very low24Very low130 Ų130135.8 Ų135.870%0.69577%0.772SS**  trans-15.9120.7154.4-53.1-18000113.9
1385S22.5Very low24.2Very low100 Ų100135.2 Ų135.270%0.69976%0.764SS**  56.8104.684.2-55.10000114.4V1383V1383-S1385 PolarHBondContact O-N 3.32Å
1386L22.5Very low24.2Very low152 Ų152133.8 Ų133.880%0.79676%0.763SS**  trans61.690.5134.3-57.5167.9000118.1
1387I23.9Very low24.3Very low176 Ų176130.2 Ų130.290%0.90376%0.758SS**  trans-127.6125.5130.8-60.7-175.9000108.1
1388S22.4Very low24.4Very low91 Ų91126 Ų12664%0.63676%0.757SS**  trans-90.7-173-172.8-36.80000111.3
1389P34.9Very low24.5Very low122 Ų122125.1 Ų125.179%0.79276%0.756SS**  -115.4155.5-120.727.2-6.8000114.4
1390T23.4Very low24.6Very low127 Ų127123.1 Ų123.178%0.77975%0.753SS**  trans-120.7111.9166.651.80000112.1
1391H23.4Very low24.9Very low170 Ų170123.4 Ų123.479%0.78776%0.757SS**  trans69.2141.6135.7-82.4-95.8000122.1
1392T22.6Very low25.2Very low108 Ų108121.5 Ų121.566%0.66375%0.745SS**  trans76.695.7145.445.10000119.4
1393T21.1Very low25.3Very low133 Ų133122.2 Ų122.282%0.81674%0.744SS**  58.8144.9118.156.30000119.5
1394S22.1Very low25.4Very low94 Ų94126.6 Ų126.666%0.65775%0.746SS**  cis-178.8172.4-6.8179.10000106.4
1395T26.6Very low25.7Very low102 Ų102124.9 Ų124.963%0.62674%0.744SS**  trans72.4140.3170.575.50000116.9P24P24-T1395 WeakPolarHBondContact CB-OG1 3.43Å
1396G29.2Very low26.3Very low57 Ų57125 Ų12559%0.58874%0.743SS**  trans13282.6-179.500000111.9
1397A25Very low26.6Very low98 Ų98123.1 Ų123.181%0.8174%0.742SS**  trans-73.5135.7-169.400000114.2
1398T26.7Very low27Very low134 Ų134120 Ų12082%0.82273%0.733SS**  trans-68.8137.7139.648.80000109.4
1399S26Very low27.4Very low116 Ų116123.5 Ų123.581%0.81174%0.744SS**  -157.1112129.8-155.90000111.2
1400V27.6Very low27.4Very low135 Ų135122.8 Ų122.882%0.81874%0.739SS**  trans-64.1157152-147.40000107.8S1402V1400-S1402 PolarHBondContact O-N 2.76Å
1401M27.1Very low27.9Very low181 Ų181121.9 Ų121.989%0.89274%0.738SS**SBendtrans-69.8124.4171.9-70.7-179.515200110.7
1402S28.6Very low28.2Very low80 Ų80120.6 Ų120.656%0.55974%0.736SS**  -179.6159.8125.7-98.60000112V1400V1400-S1402 PolarHBondContact O-N 2.76Å
1403L25.6Very low28.4Very low126 Ų126123.7 Ų123.766%0.6674%0.743SS**  trans-96.7135.4-159.6-75139.5000114.6T1683L1403-T1683 HydrophobicContact CD1-CG2 4Å
1404R27.1Very low28.6Very low227 Ų227123.2 Ų123.286%0.85774%0.74SS**  50.8127.3123.2-160173.4-177.2159.54.7117.6
1405S30.7Very low29.1Very low93 Ų93124 Ų12465%0.6574%0.743SS**  cis172.1-167.81353.10000110.8
1406P36.3Very low29.2Very low104 Ų104125 Ų12568%0.67575%0.748SS**  -140.8166.2-55.937.8-19.4000117.8
1407S29.2Very low29.1Very low111 Ų111127.8 Ų127.878%0.77675%0.754SS**  trans73.8165.5146.881.30000120.4
1408P32.3Very low29.3Very low110 Ų110130.5 Ų130.571%0.71475%0.754SS**  cis-142.9164.8-2.543.3-24.8000119.9
1409L29.6Very low29.3Very low166 Ų166129.2 Ų129.287%0.86975%0.75SS**  trans79.7169.9142-105.877.4000123.8
1410P35.9Very low29.4Very low107 Ų107126.6 Ų126.670%0.69574%0.742SS**  -135.3-162.8-115.546.4-26.7000118.6
1411S34Very low29.4Very low107 Ų107129.3 Ų129.375%0.74874%0.743SS**  trans99154.9162.585.20000118.8
1412L29.3Very low29.2Very low143 Ų143126.4 Ų126.475%0.74973%0.731SS**  cis-162.8163.6-19.1-135.7100.8000113.8
1413Q26.8Very low29.2Very low174 Ų174130.7 Ų130.781%0.81374%0.742SS**  trans70.8171150.4-112.8165.1-13.400125.3
1414T25.6Very low29.2Very low123 Ų123131.4 Ų131.476%0.75575%0.745SS**  trans-127.7-154.5-157.557.70000111.6
1415P32.9Very low29.2Very low110 Ų110124.5 Ų124.571%0.71473%0.731SS**  cis-135.8-160.4-25.826.9-0.8000115
1416V28.4Very low29.1Very low122 Ų122126.5 Ų126.574%0.73974%0.735SS**  trans109.398.7147.2-169.20000122.2
1417T26.4Very low28.7Very low116 Ų116127.6 Ų127.671%0.71274%0.735SS**  trans1.2150.5139590000125.1
1418I28.9Very low28.6Very low155 Ų155130.8 Ų130.880%0.79574%0.735SS**  172.1137.3108-88.5176.3000115.8
1419S27.6Very low28.3Very low107 Ų107135.3 Ų135.375%0.74874%0.739SS**  trans-2.6152.8165.672.50000126.4
1420G28.4Very low28Very low62 Ų62135.5 Ų135.564%0.63974%0.737SS**  150.9116.610500000121.9
1421F26.6Very low27.6Very low191 Ų191135.8 Ų135.884%0.83874%0.742SS**  trans59.1157.4143-70.4-100.1000121.4
1422N24Very low27Very low120 Ų120138.9 Ų138.964%0.64275%0.745SS**  cis-175.1176.9-40.7-123.9-28.5000109.1
1423H28.4Very low26.8Very low171 Ų171137.8 Ų137.879%0.79275%0.748SS**  trans76.7146.4170.7-70.9-80.7000118.8
1424I24.4Very low26.6Very low141 Ų141135.6 Ų135.672%0.72375%0.752SS**  175.6157-65.7-163.9149.7000108.3
1425S28.4Very low26.5Very low82 Ų82136.6 Ų136.657%0.57375%0.753SS**  trans86.9111.9153.8-72.40000123.4
1426N28Very low26.1Very low134 Ų134138.5 Ų138.572%0.71776%0.757SS**  70.1151.5121-57.819.4000119.8
1427D27.4Very low26Very low128 Ų128139 Ų13968%0.68476%0.755SS**  cis-171.7169.4-21.8-99.9-35.1000108.5
1428K27.9Very low26Very low177 Ų177140.3 Ų140.377%0.7776%0.758SS**  trans97.4116.3150.8-58.7-157.3177.5171.10121.8
1429Y24.8Very low26.2Very low206 Ų206140.9 Ų140.981%0.80876%0.762SS**  trans71.598.8131.2-81.8-101.5000121.5
1430M23.8Very low26.6Very low169 Ų169142.9 Ų142.983%0.83377%0.765SS**  19.4122.8113.5-58-83.794.600117.9
1431S26.8Very low26.8Very low114 Ų114146.6 Ų146.680%0.79777%0.77SS**  -177.2154.6100.8-153.10000114.5
1432E23Very low27Very low171 Ų171143.3 Ų143.380%0.79976%0.761SS**  trans-38.2132.4-178.7-62.6168.213900121.3
1433C23.4Very low27.3Very low120 Ų120144.3 Ų144.381%0.81177%0.766SS**  36.4117.4124.7-56.30000121.9
1434S22.9Very low27.1Very low128 Ų128142.8 Ų142.890%0.89576%0.764SS**  trans-160.6157.2144.5-92.80000115
1435N23.5Very low27.5Very low145 Ų145141.6 Ų141.678%0.77576%0.764SS**  trans-84152.2-175.2-57.6-58.7000113.7
1436N25.9Very low27.7Very low150 Ų150143.9 Ų143.980%0.80277%0.77SS**  158128.7110.3-88.5-36000116.1
1437N26.2Very low27.6Very low133 Ų133143.5 Ų143.571%0.71177%0.767SS**  trans41.8129.6135.9-95.5-8.8000124.7
1438N25.6Very low27.8Very low142 Ų142145 Ų14576%0.75977%0.77SS**  trans58120.4136.6-69.8-12000121.6
1439N33.8Very low27.9Very low167 Ų167142.7 Ų142.789%0.89377%0.766SS**  -157.1144.4117.1-121.6-25.2000112.3
1440N35Very low28Very low150 Ų150138.8 Ų138.880%0.80276%0.759SS**  trans-157.2126.3173.2-151.411.1000110.1
1441N32.6Very low28.3Very low140 Ų140136.7 Ų136.775%0.74975%0.75SS**  trans161.1150.2176.3-92.8-16.4000106.7
1442N30.3Very low28.3Very low122 Ų122137.5 Ų137.565%0.65275%0.746SS**  cis-167.71774.5-124.2-19.5000110.7
1443N30.8Very low28.6Very low140 Ų140135.4 Ų135.475%0.74974%0.74SS**  trans77.6156158.7-53-33.1000119.2
1444N25.7Very low28.8Very low140 Ų140135.3 Ų135.375%0.74974%0.736SS**  cis-176.3-179.3-40.6-136.7-5.4000108
1445T32.1Very low29.1Very low115 Ų115137.6 Ų137.671%0.70674%0.737SS**  trans70.4149.1168.4640000117.7
1446D31.9Very low29.1Very low131 Ų131139.2 Ų139.270%0.70174%0.74SS**  cis-163.3147.3-14.2-98.6-21.1000112.8
1447N25.6Very low29.1Very low125 Ų125141.1 Ų141.167%0.66874%0.741SS**  trans38.7157.4144.4-60.1-37.3000127.5
1448H33.1Very low29.1Very low159 Ų159140.3 Ų140.374%0.73674%0.74SS**  trans87.7116.7153.7-68.2-52.6000120.1
1449N28.9Very low28.9Very low130 Ų130139.7 Ų139.770%0.69574%0.736SS**  82.4144.193.9-76.761.9000114.8
1450D27.3Very low28.6Very low123 Ų123142.2 Ų142.266%0.65873%0.734SS**  cis-169-178.1-11.1-134.8-40.8000113.6
1451I30.2Very low28.5Very low125 Ų125140.5 Ų140.564%0.64173%0.732SS**  trans66.4120.4144.9-72.8163.2000122.5
1452N27.5Very low28.3Very low132 Ų132141.3 Ų141.371%0.70674%0.735SS**  trans46.6163131.7-5310.4000122.6
1453D27.6Very low28.1Very low126 Ų126141.7 Ų141.767%0.67474%0.737SS**  cis-162.1168.6-8.5-124-42.4000112.8
1454T28.1Very low27.8Very low119 Ų119141.7 Ų141.773%0.7374%0.737SS**  trans56.3125.3153.755.70000123.6
1455L30.3Very low27.6Very low176 Ų176143.1 Ų143.192%0.92174%0.739SS**  -178133.9116.1-98.6172.9000112.6
1456E22.7Very low27.3Very low178 Ų178145.4 Ų145.483%0.83275%0.746SS**  trans-106.9155.1175.9-58.2177.211700112.4
1457K25.8Very low26.8Very low191 Ų191143.2 Ų143.283%0.8374%0.741SS**  168.8145.7124.1-99.1175.5177.7176.40116.7
1458V26.6Very low26.7Very low115 Ų115145.6 Ų145.670%0.69775%0.748SS**  trans70.9113.8150.2173.60000117.4
1459I22.1Very low26.2Very low129 Ų129147.1 Ų147.166%0.66276%0.755SS**  80.2127.555.4-64.3166.6000111.5
1460Y26.7Very low26.2Very low220 Ų220150.6 Ų150.686%0.86377%0.765SS**  cis-149.8176.710.6-107.7-28.2000112.1
1461P33.5Very low26.1Very low115 Ų115150.6 Ų150.675%0.74777%0.769SS**  trans-107.8166-177.641.2-35.5000116.6
1462L27.7Very low25.8Very low157 Ų157148.5 Ų148.582%0.82277%0.771SS**  trans-155.2118.3165-163.963000116.7
1463N25.3Very low25.8Very low130 Ų130149.9 Ų149.970%0.69578%0.778SS**  trans24.5139.3145.2-62.8-6.5000126.9
1464N24.8Very low25.8Very low140 Ų140151.3 Ų151.375%0.74979%0.786SS**  trans72.7101.4130.7-64.9-1.1000124.6
1465H21.6Very low25.8Very low170 Ų170152.8 Ų152.879%0.78779%0.788SS**  51.392.9103.8-138.3-56.9000121.2
1466L25.4Very low25.4Very low162 Ų162148.8 Ų148.885%0.84878%0.775SS**  trans-145.3128.4146.5-70.3178000105.4
1467S21.9Very low25.6Very low86 Ų86147.8 Ų147.860%0.60177%0.773SS**  82.6123.458.5-61.50000113.9
1468E23.6Very low25.5Very low174 Ų174143.1 Ų143.181%0.81377%0.765SS**  trans70.991.3158.3-72.1157177.900120.4
1469E23Very low25.4Very low191 Ų191142.1 Ų142.189%0.89376%0.763SS**  37.987.4115.8-159.9155.8-152.900118
1470F29.1Very low25.5Very low203 Ų203142.8 Ų142.889%0.8977%0.773SS**  trans-91.6138.3164.4-109.9-95.7000112
1471T24.2Very low25.4Very low123 Ų123139 Ų13976%0.75577%0.767SS**  trans-79.1151-179.848.10000113.8
1472A24.3Very low24.9Very low81 Ų81137.7 Ų137.767%0.66977%0.765SS**  trans55.294.9147.300000118.7
1473D28.5Very low24.7Very low162 Ų162136.2 Ų136.287%0.86676%0.763SS**  trans-116.5104.7147.5-98-38.5000109.8I1475D1473-I1475 PolarHBondContact O-N 3.47Å
1474N27.3Very low24.9Very low155 Ų155136 Ų13683%0.82977%0.767SS**  trans-75.297.9174.3-74.6-43.7000110.1S1476N1474-S1476 PolarHBondContact O-N 2.78Å
1475I27.4Very low24.9Very low150 Ų150135.6 Ų135.677%0.76976%0.764SS**  trans-8983.6165.5-57.3-177.4000108.6D1473D1473-I1475 PolarHBondContact O-N 3.47Å
1476S23.1Very low25.1Very low93 Ų93133.8 Ų133.865%0.6577%0.77SS**  trans-66.7126.9172.7-176.60000110.9N1474 S1478N1474-S1476 PolarHBondContact O-N 2.78Å; S1476-S1478 PolarHBondContact OG-OG 3.44Å
1477I26.1Very low25.7Very low157 Ų157130.5 Ų130.581%0.80576%0.761SS**  trans-12772.3161.4-52.2-178.8000108.3
1478S23.6Very low26.7Very low93 Ų93133.8 Ų133.865%0.6577%0.772SS**  trans-54.5151.9143.6-53.30000109.1S1476S1476-S1478 PolarHBondContact OG-OG 3.44Å
1479S24Very low27.8Very low94 Ų94131.2 Ų131.266%0.65776%0.76SS**  cis-168.1140.63.241.40000109
1480T23.9Very low28.8Very low143 Ų143127.8 Ų127.888%0.87776%0.756SS**  trans-141.390.1146.7-55.40000107.6A1482T1480-A1482 PolarHBondContact O-N 3.49Å
1481I24.5Very low30.2Very low141 Ų141120.3 Ų120.372%0.72373%0.725SS**  trans-79112.3172.8-58.6171.9000106.8T1483I1481-T1483 HydrophobicContact CG2-CG2 3.6Å
1482A23.7Very low32.7Very low87 Ų87117.1 Ų117.172%0.71971%0.707SS**  trans-97.3106.9155.900000106.5T1480 T1484T1480-A1482 PolarHBondContact O-N 3.49Å; A1482-T1484 PolarHBondContact O-N 3.47Å; A1482-T1484 VanDerWaalsContact O-N 3.14Å
1483T23.7Very low35.7Very low126 Ų126114.6 Ų114.677%0.77368%0.681SS**  trans-73.795.8-179.545.80000110.9I1481I1481-T1483 HydrophobicContact CG2-CG2 3.6Å
1484T28.9Very low38.3Very low126 Ų126112.2 Ų112.277%0.77366%0.664SS**  trans-146.6108.8161.856.10000110.4A1482A1482-T1484 PolarHBondContact O-N 3.47Å; A1482-T1484 VanDerWaalsContact O-N 3.14Å
1485D25.4Very low41Very low131 Ų131106.5 Ų106.570%0.70164%0.635SS**  trans39.6100.9168.7-73.4-39.2000119.8S1487D1485-S1487 VanDerWaalsContact C-N 3.29Å; D1485-S1487 PolarHBondContact O-N 2.99Å
1486S25.7Very low43.5Very low131 Ų131106.2 Ų106.292%0.91663%0.625SS**THydrogen-bonded Turntrans-71.277.8156.250.80000112
1487S38.5Very low46.2Very low94 Ų94105.8 Ų105.866%0.65761%0.613SS**THydrogen-bonded Turntrans-147.88.9158.362.50000114.3D1485 E1489D1485-S1487 VanDerWaalsContact C-N 3.29Å; D1485-S1487 PolarHBondContact O-N 2.99Å; S1487-E1489 PolarHBondContact O-N 3.35Å
1488N41.9Very low48.6Very low154 Ų154104.4 Ų104.482%0.82460%0.601SS**  trans-76.358164.8-75.2-59.9000110.9C1490N1488-C1490 PolarHBondContact O-N 2.8Å
1489E47Very low50.7Low120 Ų120104.1 Ų104.156%0.56159%0.588SS**  trans-48.5134.7154.6-65.7-169.6146.300107.8S1487 L1491S1487-E1489 PolarHBondContact O-N 3.35Å; E1489-L1491 HydrophobicContact CB-CD2 3.86Å; E1489-L1491 PolarHBondContact O-N 3.38Å
1490C44.3Very low52.3Low119 Ų119106.5 Ų106.580%0.80459%0.587SS**  trans-75.779.7-178.2-163.30000108.3N1488 S1492N1488-C1490 PolarHBondContact O-N 2.8Å; C1490-S1492 PolarHBondContact O-N 2.7Å
1491L57.7Low54Low47 Ų47106.2 Ų106.225%0.24657%0.57CS.*  trans-63.279.1-178.1-55.4-174.3000109.7E1489 W1493 V1516E1489-L1491 HydrophobicContact CB-CD2 3.86Å; E1489-L1491 PolarHBondContact O-N 3.38Å; L1491-W1493 PolarHBondContact O-N 2.74Å; L1491-V1516 HydrophobicContact CD2-CG2 4.06Å
1492S76.7Confident55.7Low55 Ų55108.5 Ų108.539%0.38557%0.569SS.*PPolyproline II helixtrans-73.3122.7175.752.80000108.4C1490 D1515C1490-S1492 PolarHBondContact O-N 2.7Å; S1492-D1515 VanDerWaalsContact CB-OD2 3.29Å; S1492-D1515 WeakPolarHBondContact CB-OD2 3.27Å; S1492-D1515 VanDerWaalsContact O-CG 3.29Å; S1492-D1515 PolarHBondContact O-N 2.99Å; S1492-D1515 WeakPolarHBondContact OG-CB 3.46Å; S1492-D1515 PolarHBondContact OG-OD2 3.33Å
1493W87.7Confident57.3Low28 Ų28110.9 Ų110.911%0.10656%0.563CS.*EExtended strand (participates in β ladder)trans-102.9126.3176.1-72.686.3000108.9L1491 I1512 I1513 R1514 L1519 V1521 I1553 A1591 I1594L1491-W1493 PolarHBondContact O-N 2.74Å; W1493-I1512 HydrophobicContact CD2-CD1 4.19Å; W1493-I1512 HydrophobicContact CE3-CB 4.06Å; W1493-I1512 HydrophobicContact CE3-CD1 3.59Å; W1493-I1512 HydrophobicContact CE3-CG1 3.66Å; W1493-I1512 HydrophobicContact CZ3-CD1 3.9Å; W1493-I1512 HydrophobicContact CZ3-CG1 3.81Å; W1493-I1513 CarbonylContact C-O 3.26Å; W1493-I1513 WeakPolarHBondContact CA-O 3.45Å; W1493-R1514 HydrophobicContact CD2-CB 3.98Å; W1493-R1514 HydrophobicContact CD2-CG 4.47Å; W1493-R1514 HydrophobicContact CE3-CB 3.85Å; W1493-R1514 HydrophobicContact CH2-CB 3.85Å; W1493-R1514 HydrophobicContact CZ2-CB 3.95Å; W1493-R1514 HydrophobicContact CZ2-CG 4.26Å; W1493-R1514 HydrophobicContact CZ3-CB 3.78Å; W1493-L1519 HydrophobicContact CH2-CD2 4.1Å; W1493-L1519 HydrophobicContact CH2-CG 4.42Å; W1493-V1521 HydrophobicContact CH2-CG2 3.84Å; W1493-V1521 HydrophobicContact CZ3-CB 4.42Å; W1493-V1521 HydrophobicContact CZ3-CG2 3.93Å; W1493-I1553 HydrophobicContact CB-CD1 3.93Å; W1493-I1553 VanDerWaalsContact O-CD1 3.27Å; W1493-I1553 WeakPolarHBondContact O-CD1 3.44Å; W1493-A1591 HydrophobicContact CB-CB 4Å; W1493-A1591 HydrophobicContact CD2-CB 3.95Å; W1493-A1591 VanDerWaalsContact CE2-O 3.3Å; W1493-A1591 HydrophobicContact CG-CB 3.59Å; W1493-A1591 VanDerWaalsContact NE1-C 3.31Å; W1493-A1591 PolarHBondContact NE1-O 2.88Å; W1493-A1591 VanDerWaalsContact NE1-O 3.1Å; W1493-I1594 HydrophobicContact CH2-CB 4.12Å; W1493-I1594 HydrophobicContact CH2-CD1 4.29Å; W1493-I1594 HydrophobicContact CH2-CG2 4.08Å; W1493-I1594 HydrophobicContact CZ2-CB 3.79Å; W1493-I1594 HydrophobicContact CZ2-CD1 4.4Å; W1493-I1594 HydrophobicContact CZ2-CG2 4.18Å
1494Q83.3Confident59.1Low112 Ų112113 Ų11352%0.52357%0.565SS.*EExtended strand (participates in β ladder)trans-103.9148174-69.1-174.738.800111Y1496 I1512 I1513 D1515Q1494-Y1496 PolarHBondContact O-N 3.1Å; Q1494-Y1496 VanDerWaalsContact O-N 3.13Å; Q1494-I1512 WeakPolarHBondContact O-CA 3.43Å; Q1494-I1513 HydrophobicContact CB-CG2 3.97Å; Q1494-I1513 PolarHBondContact N-O 3.01Å; Q1494-I1513 PolarHBondContact O-N 3.1Å; Q1494-D1515 WeakPolarHBondContact CG-OD1 3.34Å; Q1494-D1515 WeakPolarHBondContact CG-OD2 3.39Å; Q1494-D1515 PolarHBondContact NE2-OD1 3.27Å; Q1494-D1515 PolarHBondContact NE2-OD2 3.4Å
1495V83.6Confident60.8Low35 Ų35109.6 Ų109.621%0.21255%0.554CS.*EExtended strand (participates in β ladder)trans-8099.6175.5-175.50000109.4K1498 C1509 I1553V1495-K1498 HydrophobicContact CB-CG 4.41Å; V1495-K1498 HydrophobicContact CG1-CD 4.21Å; V1495-K1498 HydrophobicContact CG1-CG 3.41Å; V1495-K1498 VanDerWaalsContact CG1-CG 3.41Å; V1495-C1509 HydrophobicContact CG1-CB 3.76Å; V1495-C1509 WeakPolarHBondContact CG1-SG 3.35Å; V1495-I1553 HydrophobicContact CG2-CD1 3.68Å; V1495-I1553 HydrophobicContact CG2-CG1 4.3Å
1496Y80.7Confident62.8Low145 Ų145104.9 Ų104.957%0.56953%0.531SS*.EExtended strand (participates in β ladder)trans-68.1-53.9178.6-172.2-90.3000111.6Q1494 S1511 I1513 I1520Q1494-Y1496 PolarHBondContact O-N 3.1Å; Q1494-Y1496 VanDerWaalsContact O-N 3.13Å; Y1496-S1511 WeakPolarHBondContact CD1-OG 3.24Å; Y1496-S1511 PolarHBondContact N-O 2.85Å; Y1496-I1513 HydrophobicContact CD2-CB 4.06Å; Y1496-I1513 HydrophobicContact CD2-CD1 4.08Å; Y1496-I1513 HydrophobicContact CD2-CG2 4.04Å; Y1496-I1513 HydrophobicContact CE2-CD1 4.35Å; Y1496-I1513 HydrophobicContact CG-CB 4.47Å; Y1496-I1520 HydrophobicContact CD2-CD1 4.46Å; Y1496-I1520 HydrophobicContact CE2-CD1 4.1Å
1497E78.6Confident65.3Low84 Ų8499.2 Ų99.239%0.39349%0.491SS..EExtended strand (participates in β ladder)trans-124.4122.2178.7-166.8-173.9168.800111C1509 R1510 S1511E1497-C1509 CarbonylContact O-C 3.5Å; E1497-C1509 WeakPolarHBondContact O-CA 3.23Å; E1497-R1510 HydrophobicContact CB-CB 4.06Å; E1497-R1510 HydrophobicContact CG-CB 3.92Å; E1497-R1510 HydrophobicContact CG-CG 4.39Å; E1497-R1510 PolarHBondContact O-N 3.27Å; E1497-R1510 WeakPolarHBondContact OE2-CG 3.36Å; E1497-S1511 WeakPolarHBondContact CB-OG 3.21Å; E1497-S1511 PolarHBondContact N-O 3.12Å; E1497-S1511 VanDerWaalsContact N-O 3.13Å; E1497-S1511 PolarHBondContact N-OG 2.94Å; E1497-S1511 PolarHBondContact O-N 2.87Å
1498K76.6Confident67.5Low127 Ų12796.3 Ų96.355%0.55247%0.466SS*.EExtended strand (participates in β ladder)trans-93.8137.6175.5-72171-175.41670109.8V1495 K1500V1495-K1498 HydrophobicContact CB-CG 4.41Å; V1495-K1498 HydrophobicContact CG1-CD 4.21Å; V1495-K1498 HydrophobicContact CG1-CG 3.41Å; V1495-K1498 VanDerWaalsContact CG1-CG 3.41Å; K1498-K1500 PolarHBondContact O-N 3.11Å
1499F68.6Low69.6Low88 Ų8889 Ų8939%0.38643%0.427SS..EExtended strand (participates in β ladder)trans-61.4140.1165.9-82.7-82.6000109.7R1501 Y1508 C1509 R1510F1499-R1501 PolarHBondContact O-N 2.81Å; F1499-R1501 VanDerWaalsContact O-N 3.12Å; F1499-Y1508 PolarHBondContact N-O 3Å; F1499-C1509 VanDerWaalsContact CD2-C 3.42Å; F1499-C1509 VanDerWaalsContact CE2-O 3.25Å; F1499-C1509 WeakPolarHBondContact CE2-O 3.27Å; F1499-R1510 HydrophobicContact CD2-CB 4.21Å; F1499-R1510 HydrophobicContact CE2-CB 4.08Å; F1499-R1510 HydrophobicContact CZ-CB 4.31Å
1500K56.7Low71.5Confident144 Ų14486.4 Ų86.463%0.62641%0.412SS*.EExtended strand (participates in β ladder)trans-62.6-16.7176.8-67.6-174.2176.6-174.50113.4D1052 K1498D1052-K1500 IonicContact OD1-NZ 3.04Å; D1052-K1500 PolarHBondContact OD1-NZ 3.36Å; D1052-K1500 IonicContact OD2-NZ 3.28Å; D1052-K1500 PolarHBondContact OD2-NZ 3.14Å; K1498-K1500 PolarHBondContact O-N 3.11Å
1501R60.6Low73.7Confident136 Ų13680.7 Ų80.751%0.51337%0.373SS..EExtended strand (participates in β ladder)trans-113.3141.1-178.1-64177.5178.6166.3-7.9111T1053 F1499T1053-R1501 PolarHBondContact OG1-NH2 2.76Å; F1499-R1501 PolarHBondContact O-N 2.81Å; F1499-R1501 VanDerWaalsContact O-N 3.12Å
1502R60Low75.4Confident189 Ų18978.5 Ų78.571%0.71336%0.362SS*.EExtended strand (participates in β ladder)trans-97.9132.4162-64.4-173.3-177.497.3-0.6108.3T1507R1502-T1507 PolarHBondContact NE-OG1 2.97Å
1503K57.8Low76.1Confident138 Ų13877.7 Ų77.760%0.635%0.353SS*.EExtended strand (participates in β ladder)trans-112131.3173.7-177.2175.5179.8-1800107.3G1505 C1506 Y1508K1503-G1505 PolarHBondContact O-N 2.8Å; K1503-G1505 VanDerWaalsContact O-N 3.1Å; K1503-C1506 PolarHBondContact O-N 2.83Å; K1503-C1506 VanDerWaalsContact O-N 3.11Å; K1503-Y1508 HydrophobicContact CB-CD2 4.09Å; K1503-Y1508 HydrophobicContact CB-CE2 3.85Å
1504Q60.2Low76.3Confident171 Ų17177.5 Ų77.580%0.79935%0.352SS*.THydrogen-bonded Turntrans53.828.8179.9-61.4172.9-3.600115.5C1506Q1504-C1506 PolarHBondContact O-N 3.36Å; Q1504-C1506 VanDerWaalsContact O-N 3.16Å
1505G64.9Low76.3Confident53 Ų5375.2 Ų75.255%0.54634%0.343SS..THydrogen-bonded Turntrans79.4-19.8-177.200000114.9K1503K1503-G1505 PolarHBondContact O-N 2.8Å; K1503-G1505 VanDerWaalsContact O-N 3.1Å
1506C68.2Low76.3Confident33 Ų3377.3 Ų77.322%0.22336%0.356CS..EExtended strand (participates in β ladder)trans-64.9142.2171-65.30000111.1K1503 Q1504 Y1508K1503-C1506 PolarHBondContact O-N 2.83Å; K1503-C1506 VanDerWaalsContact O-N 3.11Å; Q1504-C1506 PolarHBondContact O-N 3.36Å; Q1504-C1506 VanDerWaalsContact O-N 3.16Å; C1506-Y1508 HydrophobicContact CB-CD2 4.41Å; C1506-Y1508 HydrophobicContact CB-CE2 3.79Å
1507T77.9Confident76.5Confident12 Ų1274.6 Ų74.67%0.07435%0.351CS..EExtended strand (participates in β ladder)trans-97.4114.7175.4-63.10000109.1R1502 W1546R1502-T1507 PolarHBondContact NE-OG1 2.97Å; T1507-W1546 HydrophobicContact CG2-CE3 4.33Å; T1507-W1546 PolarHBondContact O-N 3.46Å
1508Y84.1Confident76.8Confident33 Ų3372.4 Ų72.413%0.12935%0.351CS..EExtended strand (participates in β ladder)trans-90.4142.6-178.1-78.2-73000112F1499 K1503 C1506 E1543 I1544 R1545F1499-Y1508 PolarHBondContact N-O 3Å; K1503-Y1508 HydrophobicContact CB-CD2 4.09Å; K1503-Y1508 HydrophobicContact CB-CE2 3.85Å; C1506-Y1508 HydrophobicContact CB-CD2 4.41Å; C1506-Y1508 HydrophobicContact CB-CE2 3.79Å; Y1508-E1543 HydrophobicContact CD1-CG 3.93Å; Y1508-E1543 HydrophobicContact CE1-CG 3.46Å; Y1508-E1543 VanDerWaalsContact CE1-CG 3.46Å; Y1508-E1543 WeakPolarHBondContact CE1-OE1 3.47Å; Y1508-E1543 PolarHBondContact OH-OE1 3.5Å; Y1508-I1544 WeakPolarHBondContact CD1-O 3.48Å; Y1508-R1545 HydrophobicContact CD1-CB 3.98Å; Y1508-R1545 HydrophobicContact CE1-CB 3.62Å
1509C85.9Confident77.5Confident0 Ų067.9 Ų67.90%033%0.333CS..EExtended strand (participates in β ladder)trans-117.9135.6-177.7-49.30000109.4V1495 E1497 F1499 I1512 I1544V1495-C1509 HydrophobicContact CG1-CB 3.76Å; V1495-C1509 WeakPolarHBondContact CG1-SG 3.35Å; E1497-C1509 CarbonylContact O-C 3.5Å; E1497-C1509 WeakPolarHBondContact O-CA 3.23Å; F1499-C1509 VanDerWaalsContact CD2-C 3.42Å; F1499-C1509 VanDerWaalsContact CE2-O 3.25Å; F1499-C1509 WeakPolarHBondContact CE2-O 3.27Å; C1509-I1512 HydrophobicContact CB-CG2 4.3Å; C1509-I1544 HydrophobicContact CB-CB 4.04Å; C1509-I1544 HydrophobicContact CB-CG2 3.77Å; C1509-I1544 PolarHBondContact N-O 2.81Å
1510R87.7Confident78.6Confident65 Ų6566.2 Ų66.225%0.24533%0.328CS..EExtended strand (participates in β ladder)trans-84.7-34.3176.1-178.359.4169.3175-0.5111N1257 E1497 F1499 V1523N1257-R1510 PolarHBondContact ND2-NH2 2.83Å; N1257-R1510 PolarHBondContact OD1-NE 2.95Å; N1257-R1510 PolarHBondContact OD1-NH2 3.25Å; E1497-R1510 HydrophobicContact CB-CB 4.06Å; E1497-R1510 HydrophobicContact CG-CB 3.92Å; E1497-R1510 HydrophobicContact CG-CG 4.39Å; E1497-R1510 PolarHBondContact O-N 3.27Å; E1497-R1510 WeakPolarHBondContact OE2-CG 3.36Å; F1499-R1510 HydrophobicContact CD2-CB 4.21Å; F1499-R1510 HydrophobicContact CE2-CB 4.08Å; F1499-R1510 HydrophobicContact CZ-CB 4.31Å; R1510-V1523 PolarHBondContact O-N 2.9Å
1511S91Very high80.3Confident0 Ų059.4 Ų59.40%030%0.298CS..EExtended strand (participates in β ladder)trans-151.6160.5171.268.90000112.1Y1496 E1497 V1521Y1496-S1511 WeakPolarHBondContact CD1-OG 3.24Å; Y1496-S1511 PolarHBondContact N-O 2.85Å; E1497-S1511 WeakPolarHBondContact CB-OG 3.21Å; E1497-S1511 PolarHBondContact N-O 3.12Å; E1497-S1511 VanDerWaalsContact N-O 3.13Å; E1497-S1511 PolarHBondContact N-OG 2.94Å; E1497-S1511 PolarHBondContact O-N 2.87Å; S1511-V1521 CarbonylContact C-O 3.58Å; S1511-V1521 WeakPolarHBondContact CA-O 3.2Å; S1511-V1521 VanDerWaalsContact CB-O 3.27Å; S1511-V1521 WeakPolarHBondContact CB-O 3.43Å
1512I92.4Very high81.8Confident0 Ų057 Ų570%029%0.291CS..EExtended strand (participates in β ladder)trans-129.8153.5176.357.4178.9000109.1W1493 Q1494 C1509 I1520 V1521 I1544 I1553 V1555 A1591 I1594W1493-I1512 HydrophobicContact CD2-CD1 4.19Å; W1493-I1512 HydrophobicContact CE3-CB 4.06Å; W1493-I1512 HydrophobicContact CE3-CD1 3.59Å; W1493-I1512 HydrophobicContact CE3-CG1 3.66Å; W1493-I1512 HydrophobicContact CZ3-CD1 3.9Å; W1493-I1512 HydrophobicContact CZ3-CG1 3.81Å; Q1494-I1512 WeakPolarHBondContact O-CA 3.43Å; C1509-I1512 HydrophobicContact CB-CG2 4.3Å; I1512-I1520 WeakPolarHBondContact O-CA 3.5Å; I1512-V1521 HydrophobicContact CG1-CB 4.07Å; I1512-V1521 PolarHBondContact N-O 2.77Å; I1512-V1521 PolarHBondContact O-N 2.92Å; I1512-I1544 HydrophobicContact CD1-CD1 4.42Å; I1512-I1544 HydrophobicContact CD1-CG2 4.44Å; I1512-I1544 HydrophobicContact CG1-CD1 4.22Å; I1512-I1544 HydrophobicContact CG2-CD1 4.43Å; I1512-I1544 HydrophobicContact CG2-CG2 3.78Å; I1512-I1553 HydrophobicContact CD1-CG2 4.2Å; I1512-I1553 HydrophobicContact CG2-CD1 4.05Å; I1512-I1553 HydrophobicContact CG2-CG2 4.03Å; I1512-V1555 HydrophobicContact CD1-CG2 4.12Å; I1512-A1591 HydrophobicContact CD1-CB 3.95Å; I1512-I1594 HydrophobicContact CD1-CD1 4.28Å
1513I91.9Very high83.2Confident39 Ų3949.6 Ų49.620%0.227%0.267CS..EExtended strand (participates in β ladder)trans-123.1139.9175.6-169.7167.2000108.7W1493 Q1494 Y1496 G1518 L1519 I1520W1493-I1513 CarbonylContact C-O 3.26Å; W1493-I1513 WeakPolarHBondContact CA-O 3.45Å; Q1494-I1513 HydrophobicContact CB-CG2 3.97Å; Q1494-I1513 PolarHBondContact N-O 3.01Å; Q1494-I1513 PolarHBondContact O-N 3.1Å; Y1496-I1513 HydrophobicContact CD2-CB 4.06Å; Y1496-I1513 HydrophobicContact CD2-CD1 4.08Å; Y1496-I1513 HydrophobicContact CD2-CG2 4.04Å; Y1496-I1513 HydrophobicContact CE2-CD1 4.35Å; Y1496-I1513 HydrophobicContact CG-CB 4.47Å; I1513-G1518 WeakPolarHBondContact CG1-O 3.47Å; I1513-L1519 WeakPolarHBondContact CA-O 3.33Å; I1513-I1520 HydrophobicContact CB-CG1 4.27Å; I1513-I1520 HydrophobicContact CD1-CD1 4.24Å; I1513-I1520 HydrophobicContact CD1-CG1 3.84Å; I1513-I1520 HydrophobicContact CG1-CG1 3.89Å
1514R90.7Very high84.7Confident24 Ų2445 Ų459%0.09126%0.258CS..EExtended strand (participates in β ladder)trans-89.4134.6171.1-177.1160.967.7-174.14.1109.3W1493 D1517 G1518 L1519 I1594 K1595W1493-R1514 HydrophobicContact CD2-CB 3.98Å; W1493-R1514 HydrophobicContact CD2-CG 4.47Å; W1493-R1514 HydrophobicContact CE3-CB 3.85Å; W1493-R1514 HydrophobicContact CH2-CB 3.85Å; W1493-R1514 HydrophobicContact CZ2-CB 3.95Å; W1493-R1514 HydrophobicContact CZ2-CG 4.26Å; W1493-R1514 HydrophobicContact CZ3-CB 3.78Å; R1514-D1517 WeakPolarHBondContact CB-OD1 3.38Å; R1514-D1517 WeakPolarHBondContact CG-OD1 3.42Å; R1514-D1517 IonicContact CZ-OD1 3.45Å; R1514-D1517 IonicContact CZ-OD2 3.21Å; R1514-D1517 VanDerWaalsContact NE-CG 3.34Å; R1514-D1517 IonicContact NE-OD1 2.67Å; R1514-D1517 PolarHBondContact NE-OD1 2.7Å; R1514-D1517 IonicContact NE-OD2 3.25Å; R1514-D1517 PolarHBondContact NE-OD2 2.98Å; R1514-D1517 IonicContact NH2-OD1 3.31Å; R1514-D1517 IonicContact NH2-OD2 3.33Å; R1514-D1517 PolarHBondContact NH2-OD2 2.84Å; R1514-G1518 WeakPolarHBondContact O-CA 3.24Å; R1514-G1518 PolarHBondContact O-N 2.78Å; R1514-L1519 HydrophobicContact CB-CB 4.23Å; R1514-L1519 PolarHBondContact N-O 3.09Å; R1514-I1594 PolarHBondContact NH1-O 3.15Å; R1514-K1595 PolarHBondContact NH1-O 2.87Å; R1514-K1595 PolarHBondContact NH2-O 2.88Å
1515D84.2Confident86.3Confident64 Ų6437.7 Ų37.734%0.34223%0.225SC..THydrogen-bonded Turntrans-76.3-23.3-171.4-65.1-24000113.8S1492 Q1494S1492-D1515 VanDerWaalsContact CB-OD2 3.29Å; S1492-D1515 WeakPolarHBondContact CB-OD2 3.27Å; S1492-D1515 VanDerWaalsContact O-CG 3.29Å; S1492-D1515 PolarHBondContact O-N 2.99Å; S1492-D1515 WeakPolarHBondContact OG-CB 3.46Å; S1492-D1515 PolarHBondContact OG-OD2 3.33Å; Q1494-D1515 WeakPolarHBondContact CG-OD1 3.34Å; Q1494-D1515 WeakPolarHBondContact CG-OD2 3.39Å; Q1494-D1515 PolarHBondContact NE2-OD1 3.27Å; Q1494-D1515 PolarHBondContact NE2-OD2 3.4Å
1516V83.4Confident87.6Confident79 Ų7936.2 Ų36.248%0.47921%0.206SC..THydrogen-bonded Turntrans-74.6-49.8-174.5-177.60000111.7L1491L1491-V1516 HydrophobicContact CD2-CG2 4.06Å
1517D85.9Confident88.8Confident87 Ų8734.6 Ų34.647%0.46520%0.195SC..THydrogen-bonded Turntrans-117.5-1.8-173.467.1-25.7000113.4R1514 L1519R1514-D1517 WeakPolarHBondContact CB-OD1 3.38Å; R1514-D1517 WeakPolarHBondContact CG-OD1 3.42Å; R1514-D1517 IonicContact CZ-OD1 3.45Å; R1514-D1517 IonicContact CZ-OD2 3.21Å; R1514-D1517 VanDerWaalsContact NE-CG 3.34Å; R1514-D1517 IonicContact NE-OD1 2.67Å; R1514-D1517 PolarHBondContact NE-OD1 2.7Å; R1514-D1517 IonicContact NE-OD2 3.25Å; R1514-D1517 PolarHBondContact NE-OD2 2.98Å; R1514-D1517 IonicContact NH2-OD1 3.31Å; R1514-D1517 IonicContact NH2-OD2 3.33Å; R1514-D1517 PolarHBondContact NH2-OD2 2.84Å; D1517-L1519 VanDerWaalsContact C-N 3.27Å; D1517-L1519 PolarHBondContact O-N 2.67Å; D1517-L1519 WeakPolarHBondContact OD1-CB 3.25Å; D1517-L1519 PolarHBondContact OD1-N 3Å; D1517-L1519 VanDerWaalsContact OD1-N 3.12Å; D1517-L1519 VanDerWaalsContact OD2-CB 3.25Å; D1517-L1519 WeakPolarHBondContact OD2-CB 3.42Å
1518G84.9Confident89.4Confident38 Ų3834.8 Ų34.839%0.39220%0.195SC..  trans7213.5-17600000114.7I1513 R1514 I1520I1513-G1518 WeakPolarHBondContact CG1-O 3.47Å; R1514-G1518 WeakPolarHBondContact O-CA 3.24Å; R1514-G1518 PolarHBondContact O-N 2.78Å; G1518-I1520 WeakPolarHBondContact O-CG1 3.41Å; G1518-I1520 PolarHBondContact O-N 2.64Å; G1518-I1520 VanDerWaalsContact O-N 3.09Å
1519L90.5Very high89.7Confident32 Ų3233.3 Ų33.317%0.16819%0.189CC..  trans-60.5114.8-176.9174.665.7000111.7W1493 I1513 R1514 D1517 V1521 I1594 R1597W1493-L1519 HydrophobicContact CH2-CD2 4.1Å; W1493-L1519 HydrophobicContact CH2-CG 4.42Å; I1513-L1519 WeakPolarHBondContact CA-O 3.33Å; R1514-L1519 HydrophobicContact CB-CB 4.23Å; R1514-L1519 PolarHBondContact N-O 3.09Å; D1517-L1519 VanDerWaalsContact C-N 3.27Å; D1517-L1519 PolarHBondContact O-N 2.67Å; D1517-L1519 WeakPolarHBondContact OD1-CB 3.25Å; D1517-L1519 PolarHBondContact OD1-N 3Å; D1517-L1519 VanDerWaalsContact OD1-N 3.12Å; D1517-L1519 VanDerWaalsContact OD2-CB 3.25Å; D1517-L1519 WeakPolarHBondContact OD2-CB 3.42Å; L1519-V1521 HydrophobicContact CD2-CG2 4.34Å; L1519-V1521 HydrophobicContact CG-CG2 4.15Å; L1519-I1594 HydrophobicContact CD2-CG2 4.47Å; L1519-R1597 HydrophobicContact CD1-CB 4.2Å
1520I91.1Very high89.7Confident54 Ų5433.9 Ų33.928%0.27720%0.196SC..EExtended strand (participates in β ladder)trans-93.3121.9176.1-55.7178.7000110.2Y1496 I1512 I1513 G1518 K1522Y1496-I1520 HydrophobicContact CD2-CD1 4.46Å; Y1496-I1520 HydrophobicContact CE2-CD1 4.1Å; I1512-I1520 WeakPolarHBondContact O-CA 3.5Å; I1513-I1520 HydrophobicContact CB-CG1 4.27Å; I1513-I1520 HydrophobicContact CD1-CD1 4.24Å; I1513-I1520 HydrophobicContact CD1-CG1 3.84Å; I1513-I1520 HydrophobicContact CG1-CG1 3.89Å; G1518-I1520 WeakPolarHBondContact O-CG1 3.41Å; G1518-I1520 PolarHBondContact O-N 2.64Å; G1518-I1520 VanDerWaalsContact O-N 3.09Å; I1520-K1522 HydrophobicContact CG2-CG 4.4Å
1521V92.3Very high89.1Confident0 Ų033.7 Ų33.70%020%0.204CC..EExtended strand (participates in β ladder)trans-114.6127.3174.7179.50000109.7W1493 S1511 I1512 L1519 V1527 V1541 I1594W1493-V1521 HydrophobicContact CH2-CG2 3.84Å; W1493-V1521 HydrophobicContact CZ3-CB 4.42Å; W1493-V1521 HydrophobicContact CZ3-CG2 3.93Å; S1511-V1521 CarbonylContact C-O 3.58Å; S1511-V1521 WeakPolarHBondContact CA-O 3.2Å; S1511-V1521 VanDerWaalsContact CB-O 3.27Å; S1511-V1521 WeakPolarHBondContact CB-O 3.43Å; I1512-V1521 HydrophobicContact CG1-CB 4.07Å; I1512-V1521 PolarHBondContact N-O 2.77Å; I1512-V1521 PolarHBondContact O-N 2.92Å; L1519-V1521 HydrophobicContact CD2-CG2 4.34Å; L1519-V1521 HydrophobicContact CG-CG2 4.15Å; V1521-V1527 HydrophobicContact CG1-CG1 3.78Å; V1521-V1527 HydrophobicContact CG2-CG1 4.31Å; V1521-V1541 HydrophobicContact CG1-CG2 3.97Å; V1521-I1594 HydrophobicContact CG1-CD1 4.32Å; V1521-I1594 HydrophobicContact CG2-CD1 4.43Å; V1521-I1594 HydrophobicContact CG2-CG2 4.23Å
1522K92.4Very high88Confident85 Ų8537.2 Ų37.237%0.3724%0.241SC..EExtended strand (participates in β ladder)trans-108.9157.2178.2-51.2-167.1176.9-176.30111.4I1520 G1524 D1525I1520-K1522 HydrophobicContact CG2-CG 4.4Å; K1522-G1524 PolarHBondContact O-N 2.93Å; K1522-D1525 WeakPolarHBondContact CA-OD2 3.38Å; K1522-D1525 WeakPolarHBondContact CB-OD2 3.38Å; K1522-D1525 PolarHBondContact N-OD2 2.78Å; K1522-D1525 WeakPolarHBondContact O-CB 3Å; K1522-D1525 PolarHBondContact O-N 2.86Å; K1522-D1525 VanDerWaalsContact O-N 3.12Å
1523V90.6Very high87Confident34 Ų3446.9 Ų46.921%0.20628%0.277CS..THydrogen-bonded Turntrans-61.1126.1167.4174.70000109.8R1510 K1542 I1544R1510-V1523 PolarHBondContact O-N 2.9Å; V1523-K1542 WeakPolarHBondContact CG1-O 3.29Å; V1523-I1544 HydrophobicContact CG2-CB 4.49Å; V1523-I1544 HydrophobicContact CG2-CD1 3.97Å; V1523-I1544 HydrophobicContact CG2-CG1 3.91Å
1524G89Confident86.1Confident41 Ų4151.7 Ų51.742%0.42330%0.304SS..THydrogen-bonded Turntrans98.8-4.6-17400000114.6K1522 V1541K1522-G1524 PolarHBondContact O-N 2.93Å; G1524-V1541 PolarHBondContact N-O 2.77Å
1525D93.1Very high85.7Confident19 Ų1954.6 Ų54.610%0.10232%0.318CS..  trans-79.6139.8175.4-72.1-29.7000111.8K1522 V1527 V1541 R1597K1522-D1525 WeakPolarHBondContact CA-OD2 3.38Å; K1522-D1525 WeakPolarHBondContact CB-OD2 3.38Å; K1522-D1525 PolarHBondContact N-OD2 2.78Å; K1522-D1525 WeakPolarHBondContact O-CB 3Å; K1522-D1525 PolarHBondContact O-N 2.86Å; K1522-D1525 VanDerWaalsContact O-N 3.12Å; D1525-V1527 HydrophobicContact CB-CG1 4.34Å; D1525-V1541 PolarHBondContact O-N 3.3Å; D1525-R1597 IonicContact OD1-CZ 3.09Å; D1525-R1597 VanDerWaalsContact OD1-CZ 3.27Å; D1525-R1597 IonicContact OD1-NE 3.85Å; D1525-R1597 PolarHBondContact OD1-NE 2.82Å; D1525-R1597 IonicContact OD1-NH2 3.96Å; D1525-R1597 PolarHBondContact OD1-NH2 3.22Å; D1525-R1597 IonicContact OD2-CZ 3.1Å; D1525-R1597 IonicContact OD2-NE 3.45Å; D1525-R1597 PolarHBondContact OD2-NE 3.3Å; D1525-R1597 IonicContact OD2-NH2 3.5Å
1526C92.8Very high85.7Confident21 Ų2155.2 Ų55.214%0.14232%0.321CS..EExtended strand (participates in β ladder)trans-80.3130.9165.8-52.70000109.3G1539 Y1560 I1598 I1600C1526-G1539 WeakPolarHBondContact CA-O 3.41Å; C1526-Y1560 HydrophobicContact CB-CE2 4.38Å; C1526-Y1560 PolarHBondContact SG-OH 2.86Å; C1526-I1598 HydrophobicContact CB-CG2 4.1Å; C1526-I1598 WeakPolarHBondContact CB-O 3.37Å; C1526-I1598 PolarHBondContact O-N 2.89Å; C1526-I1598 VanDerWaalsContact O-O 3.13Å; C1526-I1600 HydrophobicContact CB-CD1 3.74Å; C1526-I1600 HydrophobicContact CB-CG1 3.94Å
1527V92.5Very high86.1Confident0 Ų055.5 Ų55.50%031%0.314CS..EExtended strand (participates in β ladder)trans-137.3158.6-178.1-55.40000111.2V1521 D1525 F1529 G1539 V1541 I1594 R1596V1521-V1527 HydrophobicContact CG1-CG1 3.78Å; V1521-V1527 HydrophobicContact CG2-CG1 4.31Å; D1525-V1527 HydrophobicContact CB-CG1 4.34Å; V1527-F1529 HydrophobicContact CG2-CD2 3.93Å; V1527-F1529 HydrophobicContact CG2-CE1 4.17Å; V1527-F1529 HydrophobicContact CG2-CE2 3.27Å; V1527-F1529 HydrophobicContact CG2-CZ 3.4Å; V1527-F1529 VanDerWaalsContact CG2-CZ 3.4Å; V1527-G1539 PolarHBondContact N-O 3.04Å; V1527-G1539 PolarHBondContact O-N 3.32Å; V1527-G1539 VanDerWaalsContact O-N 3.1Å; V1527-V1541 HydrophobicContact CG1-CG2 4.09Å; V1527-V1541 HydrophobicContact CG2-CG2 3.68Å; V1527-I1594 HydrophobicContact CB-CG2 4.07Å; V1527-I1594 HydrophobicContact CG1-CG2 4.42Å; V1527-I1594 HydrophobicContact CG2-CG1 4.17Å; V1527-I1594 HydrophobicContact CG2-CG2 4.28Å; V1527-R1596 WeakPolarHBondContact CA-O 3.47Å
1528Q90.6Very high86.3Confident15 Ų1551.8 Ų51.87%0.0729%0.294CS..EExtended strand (participates in β ladder)trans-94.7124.3175.2-168.2-178.5-46.300109.6I1536 L1538 K1595 R1596Q1528-I1536 VanDerWaalsContact CD-CG2 3.45Å; Q1528-I1536 HydrophobicContact CG-CG2 3.41Å; Q1528-I1536 VanDerWaalsContact CG-CG2 3.41Å; Q1528-L1538 HydrophobicContact CB-CD2 4.26Å; Q1528-L1538 HydrophobicContact CG-CD2 4.2Å; Q1528-K1595 PolarHBondContact O-N 3.28Å; Q1528-R1596 HydrophobicContact CB-CG 4.02Å; Q1528-R1596 PolarHBondContact N-O 2.96Å; Q1528-R1596 VanDerWaalsContact OE1-CZ 3.27Å
1529F91.9Very high86.7Confident2 Ų250 Ų501%0.00928%0.275CS..EExtended strand (participates in β ladder)trans-102.6138.7175.5-65.4-89.4000110.9V1527 Y1537 V1541 V1555 A1557 W1559 N1589 C1593 I1594V1527-F1529 HydrophobicContact CG2-CD2 3.93Å; V1527-F1529 HydrophobicContact CG2-CE1 4.17Å; V1527-F1529 HydrophobicContact CG2-CE2 3.27Å; V1527-F1529 HydrophobicContact CG2-CZ 3.4Å; V1527-F1529 VanDerWaalsContact CG2-CZ 3.4Å; F1529-Y1537 PolarHBondContact N-O 2.91Å; F1529-Y1537 PolarHBondContact O-N 3.46Å; F1529-V1541 HydrophobicContact CZ-CG2 4.4Å; F1529-V1555 HydrophobicContact CE1-CG1 4.43Å; F1529-V1555 HydrophobicContact CZ-CG1 4.29Å; F1529-A1557 HydrophobicContact CD2-CB 4.46Å; F1529-A1557 HydrophobicContact CE1-CB 4.36Å; F1529-A1557 HydrophobicContact CE2-CB 3.62Å; F1529-A1557 HydrophobicContact CZ-CB 3.57Å; F1529-W1559 HydrophobicContact CB-CH2 3.88Å; F1529-W1559 HydrophobicContact CB-CZ3 3.91Å; F1529-W1559 HydrophobicContact CD1-CH2 4.48Å; F1529-W1559 HydrophobicContact CD2-CE3 4.44Å; F1529-W1559 AromaticContact CD2-CH2 3.89Å; F1529-W1559 HydrophobicContact CD2-CH2 3.89Å; F1529-W1559 AromaticContact CD2-CZ3 3.47Å; F1529-W1559 HydrophobicContact CD2-CZ3 3.47Å; F1529-W1559 VanDerWaalsContact CD2-CZ3 3.47Å; F1529-W1559 HydrophobicContact CE2-CZ3 4.18Å; F1529-W1559 AromaticContact CG-CH2 3.84Å; F1529-W1559 HydrophobicContact CG-CH2 3.84Å; F1529-W1559 AromaticContact CG-CZ3 3.85Å; F1529-W1559 HydrophobicContact CG-CZ3 3.85Å; F1529-N1589 HydrophobicContact CD1-CB 4.4Å; F1529-N1589 HydrophobicContact CE1-CB 4.25Å; F1529-C1593 CarbonylContact C-O 3.54Å; F1529-C1593 VanDerWaalsContact CA-O 3.24Å; F1529-C1593 WeakPolarHBondContact CA-O 3.44Å; F1529-C1593 HydrophobicContact CD1-CB 4.06Å; F1529-I1594 HydrophobicContact CD1-CG1 4.07Å; F1529-I1594 HydrophobicContact CE1-CD1 4.47Å; F1529-I1594 HydrophobicContact CE1-CG1 3.65Å; F1529-I1594 HydrophobicContact CZ-CG1 4.29Å
1530G85.9Confident86.8Confident13 Ų1350.6 Ų50.613%0.13428%0.277CS..EExtended strand (participates in β ladder)trans-98.9131.9168.500000111.5G1532 C1593G1530-G1532 VanDerWaalsContact C-N 3.3Å; G1530-C1593 PolarHBondContact N-O 3.12Å
1531S74.9Confident87Confident60 Ų6048 Ų4842%0.4226%0.264SS..  trans-76.3-17.5174153.30000112.9E1535S1531-E1535 PolarHBondContact N-O 3.05Å; S1531-E1535 PolarHBondContact OG-OE2 3.16Å; S1531-E1535 VanDerWaalsContact OG-OE2 3.06Å
1532G66.4Low87Confident75 Ų7552.1 Ų52.177%0.77328%0.282SS*.SBendtrans91.7-7.3-171.800000113.6G1530G1530-G1532 VanDerWaalsContact C-N 3.3Å
1533R71.4Confident87Confident202 Ų20251.6 Ų51.676%0.76228%0.281SS*.SBendtrans-107.740.5176.1-66-176.9172.4154.9-2.4113.2E1535R1533-E1535 PolarHBondContact O-N 3.13Å
1534N73.7Confident87Confident141 Ų14150 Ų5075%0.75427%0.271SS*.SBendtrans55.5-10.6-168.7-69.4-0.9000116.8
1535E81.5Confident87Confident84 Ų8449.5 Ų49.539%0.39326%0.257SS..  trans-66.1141.8173.8-66.2162.315500112.4S1531 R1533 Y1537S1531-E1535 PolarHBondContact N-O 3.05Å; S1531-E1535 PolarHBondContact OG-OE2 3.16Å; S1531-E1535 VanDerWaalsContact OG-OE2 3.06Å; R1533-E1535 PolarHBondContact O-N 3.13Å; E1535-Y1537 HydrophobicContact CB-CD2 4.49Å; E1535-Y1537 HydrophobicContact CB-CE2 3.68Å
1536I85.8Confident86.4Confident78 Ų7852.7 Ų52.740%0.427%0.267SS..EExtended strand (participates in β ladder)trans-123.2121-173.1-74166.4000108.9Q1528Q1528-I1536 VanDerWaalsContact CD-CG2 3.45Å; Q1528-I1536 HydrophobicContact CG-CG2 3.41Å; Q1528-I1536 VanDerWaalsContact CG-CG2 3.41Å
1537Y90.3Very high85.9Confident84 Ų8453 Ų5333%0.32927%0.267SS..EExtended strand (participates in β ladder)trans-115.3143178.6-64-83.2000110.5F1529 E1535 W1559F1529-Y1537 PolarHBondContact N-O 2.91Å; F1529-Y1537 PolarHBondContact O-N 3.46Å; E1535-Y1537 HydrophobicContact CB-CD2 4.49Å; E1535-Y1537 HydrophobicContact CB-CE2 3.68Å; Y1537-W1559 VanDerWaalsContact CB-CZ3 3.45Å; Y1537-W1559 HydrophobicContact CG-CZ3 4.47Å
1538L91.2Very high85Confident9 Ų959 Ų595%0.04730%0.295CS..EExtended strand (participates in β ladder)trans-106.3132.8179.6-65.2175.6000109.6Q1528 Y1560 L1580 I1598 Y1715Q1528-L1538 HydrophobicContact CB-CD2 4.26Å; Q1528-L1538 HydrophobicContact CG-CD2 4.2Å; L1538-Y1560 HydrophobicContact CB-CD2 4.2Å; L1538-Y1560 PolarHBondContact O-N 3.22Å; L1538-L1580 HydrophobicContact CD1-CD1 3.65Å; L1538-L1580 HydrophobicContact CD1-CD2 4.2Å; L1538-I1598 HydrophobicContact CD2-CG2 4.3Å; L1538-Y1715 HydrophobicContact CD1-CD1 4.12Å; L1538-Y1715 HydrophobicContact CD1-CD2 4.18Å; L1538-Y1715 HydrophobicContact CD1-CE1 3.95Å; L1538-Y1715 HydrophobicContact CD1-CE2 4.01Å; L1538-Y1715 HydrophobicContact CD1-CG 4.24Å
1539G92.4Very high84.3Confident0 Ų067.5 Ų67.50%033%0.331CS..EExtended strand (participates in β ladder)trans-152.6156.1178.600000113.9C1526 V1527 A1558C1526-G1539 WeakPolarHBondContact CA-O 3.41Å; V1527-G1539 PolarHBondContact N-O 3.04Å; V1527-G1539 PolarHBondContact O-N 3.32Å; V1527-G1539 VanDerWaalsContact O-N 3.1Å; G1539-A1558 CarbonylContact C-O 3.56Å; G1539-A1558 WeakPolarHBondContact CA-O 3.46Å
1540E94Very high83.5Confident45 Ų4574.6 Ų74.621%0.2136%0.358CS..EExtended strand (participates in β ladder)trans-93129.5171.5-163.1-161.9131.100109.9K1542 A1557 A1558 Y1560E1540-K1542 VanDerWaalsContact CD-CE 3.49Å; E1540-K1542 PolarHBondContact O-N 2.98Å; E1540-K1542 VanDerWaalsContact O-N 3.15Å; E1540-K1542 WeakPolarHBondContact OE1-CE 3.43Å; E1540-K1542 IonicContact OE1-NZ 4Å; E1540-K1542 PolarHBondContact OE1-NZ 2.97Å; E1540-K1542 WeakPolarHBondContact OE2-CE 3.5Å; E1540-K1542 IonicContact OE2-NZ 2.85Å; E1540-K1542 PolarHBondContact OE2-NZ 2.94Å; E1540-A1557 WeakPolarHBondContact O-CA 3.41Å; E1540-A1558 PolarHBondContact N-O 2.89Å; E1540-A1558 PolarHBondContact O-N 3.12Å; E1540-Y1560 HydrophobicContact CB-CE2 4.09Å
1541V94.3Very high83Confident0 Ų080 Ų800%038%0.384CS..EExtended strand (participates in β ladder)trans-73.9104.1177.6176.40000110.1V1521 G1524 D1525 V1527 F1529 I1544 V1555V1521-V1541 HydrophobicContact CG1-CG2 3.97Å; G1524-V1541 PolarHBondContact N-O 2.77Å; D1525-V1541 PolarHBondContact O-N 3.3Å; V1527-V1541 HydrophobicContact CG1-CG2 4.09Å; V1527-V1541 HydrophobicContact CG2-CG2 3.68Å; F1529-V1541 HydrophobicContact CZ-CG2 4.4Å; V1541-I1544 HydrophobicContact CG1-CD1 3.95Å; V1541-I1544 HydrophobicContact CG1-CG1 3.6Å; V1541-V1555 HydrophobicContact CB-CG1 4.29Å; V1541-V1555 HydrophobicContact CG1-CG1 3.65Å; V1541-V1555 HydrophobicContact CG2-CG1 3.85Å
1542K92.9Very high83.3Confident86 Ų8678.8 Ų78.837%0.37438%0.375SS..EExtended strand (participates in β ladder)trans-86.1-34.6-179-65.1-60.8-179.2-176.50113.8V1523 E1540 V1556 A1558V1523-K1542 WeakPolarHBondContact CG1-O 3.29Å; E1540-K1542 VanDerWaalsContact CD-CE 3.49Å; E1540-K1542 PolarHBondContact O-N 2.98Å; E1540-K1542 VanDerWaalsContact O-N 3.15Å; E1540-K1542 WeakPolarHBondContact OE1-CE 3.43Å; E1540-K1542 IonicContact OE1-NZ 4Å; E1540-K1542 PolarHBondContact OE1-NZ 2.97Å; E1540-K1542 WeakPolarHBondContact OE2-CE 3.5Å; E1540-K1542 IonicContact OE2-NZ 2.85Å; E1540-K1542 PolarHBondContact OE2-NZ 2.94Å; K1542-V1556 PolarHBondContact N-O 3.09Å; K1542-A1558 HydrophobicContact CD-CB 4.25Å; K1542-A1558 HydrophobicContact CG-CB 3.65Å
1543E91.1Very high84.4Confident75 Ų7575.8 Ų75.835%0.3534%0.341SS..EExtended strand (participates in β ladder)trans-152.6140.2-175-178.8171.5129.400109.9Y1508 V1556Y1508-E1543 HydrophobicContact CD1-CG 3.93Å; Y1508-E1543 HydrophobicContact CE1-CG 3.46Å; Y1508-E1543 VanDerWaalsContact CE1-CG 3.46Å; Y1508-E1543 WeakPolarHBondContact CE1-OE1 3.47Å; Y1508-E1543 PolarHBondContact OH-OE1 3.5Å; E1543-V1556 HydrophobicContact CB-CB 3.93Å; E1543-V1556 HydrophobicContact CB-CG2 3.84Å; E1543-V1556 HydrophobicContact CG-CG2 4.27Å; E1543-V1556 PolarHBondContact N-O 3.43Å; E1543-V1556 PolarHBondContact O-N 3.07Å
1544I91.7Very high85.3Confident1 Ų166.2 Ų66.21%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-124.1123174.5-52.3170.3000108.4Y1508 C1509 I1512 V1523 V1541 I1553 V1555Y1508-I1544 WeakPolarHBondContact CD1-O 3.48Å; C1509-I1544 HydrophobicContact CB-CB 4.04Å; C1509-I1544 HydrophobicContact CB-CG2 3.77Å; C1509-I1544 PolarHBondContact N-O 2.81Å; I1512-I1544 HydrophobicContact CD1-CD1 4.42Å; I1512-I1544 HydrophobicContact CD1-CG2 4.44Å; I1512-I1544 HydrophobicContact CG1-CD1 4.22Å; I1512-I1544 HydrophobicContact CG2-CD1 4.43Å; I1512-I1544 HydrophobicContact CG2-CG2 3.78Å; V1523-I1544 HydrophobicContact CG2-CB 4.49Å; V1523-I1544 HydrophobicContact CG2-CD1 3.97Å; V1523-I1544 HydrophobicContact CG2-CG1 3.91Å; V1541-I1544 HydrophobicContact CG1-CD1 3.95Å; V1541-I1544 HydrophobicContact CG1-CG1 3.6Å; I1544-I1553 HydrophobicContact CG2-CG2 3.7Å; I1544-V1555 HydrophobicContact CG2-CG2 4.41Å
1545R87.6Confident86.2Confident30 Ų3059.5 Ų59.511%0.11327%0.269CS..EExtended strand (participates in β ladder)trans-132.4134.1-175.167.5-166.3-158.375.8-2.8111.7Y1508 E1547 I1554 E1588Y1508-R1545 HydrophobicContact CD1-CB 3.98Å; Y1508-R1545 HydrophobicContact CE1-CB 3.62Å; R1545-E1547 IonicContact CZ-OE2 3.17Å; R1545-E1547 IonicContact NH1-OE2 3.93Å; R1545-E1547 PolarHBondContact NH1-OE2 3.36Å; R1545-E1547 IonicContact NH2-OE2 2.8Å; R1545-I1554 HydrophobicContact CG-CB 3.87Å; R1545-I1554 HydrophobicContact CG-CG2 4.18Å; R1545-I1554 PolarHBondContact N-O 2.93Å; R1545-I1554 PolarHBondContact O-N 3.04Å; R1545-E1588 IonicContact CZ-OE1 3.16Å; R1545-E1588 IonicContact CZ-OE2 2.8Å; R1545-E1588 IonicContact NE-OE1 2.74Å; R1545-E1588 PolarHBondContact NE-OE1 2.79Å; R1545-E1588 IonicContact NE-OE2 3.3Å; R1545-E1588 IonicContact NH2-OE1 3.02Å; R1545-E1588 PolarHBondContact NH2-OE1 3.46Å; R1545-E1588 IonicContact NH2-OE2 3.39Å; R1545-E1588 PolarHBondContact NH2-OE2 3.34Å
1546W82Confident86.7Confident86 Ų8656.4 Ų56.433%0.32626%0.256SS..EExtended strand (participates in β ladder)trans-86.5114.9171.6178.844.4000109.6T1507 Q1548T1507-W1546 HydrophobicContact CG2-CE3 4.33Å; T1507-W1546 PolarHBondContact O-N 3.46Å; W1546-Q1548 HydrophobicContact CZ3-CG 4.48Å
1547E81.3Confident87.1Confident28 Ų2852.7 Ų52.713%0.13124%0.237CC..EExtended strand (participates in β ladder)trans-93.9105.9-178.8-179.357.1-121.200109.9R1545 K1549 R1550 N1551 S1552 I1554R1545-E1547 IonicContact CZ-OE2 3.17Å; R1545-E1547 IonicContact NH1-OE2 3.93Å; R1545-E1547 PolarHBondContact NH1-OE2 3.36Å; R1545-E1547 IonicContact NH2-OE2 2.8Å; E1547-K1549 HydrophobicContact CG-CB 4.34Å; E1547-K1549 PolarHBondContact O-N 2.77Å; E1547-K1549 WeakPolarHBondContact OE1-CB 3.26Å; E1547-K1549 WeakPolarHBondContact OE1-CD 3.29Å; E1547-K1549 WeakPolarHBondContact OE1-CG 3.07Å; E1547-K1549 PolarHBondContact OE1-N 2.64Å; E1547-R1550 HydrophobicContact CG-CB 4.47Å; E1547-R1550 HydrophobicContact CG-CG 4.43Å; E1547-R1550 PolarHBondContact O-N 3.09Å; E1547-N1551 PolarHBondContact O-N 3.18Å; E1547-S1552 PolarHBondContact N-O 2.86Å; E1547-S1552 PolarHBondContact O-N 3.47Å; E1547-I1554 HydrophobicContact CB-CG1 3.8Å
1548Q73.9Confident87.3Confident125 Ų12549.1 Ų49.158%0.58423%0.225SC*.THydrogen-bonded Turntrans-60.9-30.8-176.2-67.9179.2-800112.8W1546 N1551W1546-Q1548 HydrophobicContact CZ3-CG 4.48Å; Q1548-N1551 PolarHBondContact O-N 3.33Å
1549K76.6Confident87.4Confident193 Ų19349.9 Ų49.984%0.83923%0.227SC*.THydrogen-bonded Turntrans-67.5-35.9-178.5-64.2173.2-173.31670113.5E1547E1547-K1549 HydrophobicContact CG-CB 4.34Å; E1547-K1549 PolarHBondContact O-N 2.77Å; E1547-K1549 WeakPolarHBondContact OE1-CB 3.26Å; E1547-K1549 WeakPolarHBondContact OE1-CD 3.29Å; E1547-K1549 WeakPolarHBondContact OE1-CG 3.07Å; E1547-K1549 PolarHBondContact OE1-N 2.64Å
1550R73.8Confident87.4Confident152 Ų15250.6 Ų50.657%0.57423%0.23SC*.THydrogen-bonded Turntrans-95.8-8.2177.8-64.8-174.7-174.9153.53.4112.6E1547 S1552E1547-R1550 HydrophobicContact CG-CB 4.47Å; E1547-R1550 HydrophobicContact CG-CG 4.43Å; E1547-R1550 PolarHBondContact O-N 3.09Å; R1550-S1552 PolarHBondContact O-N 3.45Å
1551N75.6Confident87.3Confident126 Ų12650.7 Ų50.767%0.67423%0.229SC*.THydrogen-bonded Turntrans47.935.9-167.2-167.346.3000112.9E1547 Q1548E1547-N1551 PolarHBondContact O-N 3.18Å; Q1548-N1551 PolarHBondContact O-N 3.33Å
1552S82.6Confident86.9Confident34 Ų3455.3 Ų55.324%0.23825%0.25CS..EExtended strand (participates in β ladder)trans-130.5157.5-173.3-173.80000110.9E1547 R1550E1547-S1552 PolarHBondContact N-O 2.86Å; E1547-S1552 PolarHBondContact O-N 3.47Å; R1550-S1552 PolarHBondContact O-N 3.45Å
1553I88.9Confident86.5Confident12 Ų1252.1 Ų52.16%0.06224%0.238CC..EExtended strand (participates in β ladder)trans-89.9123.1176.6-61.8-179.7000108W1493 V1495 I1512 I1544 V1555 A1591W1493-I1553 HydrophobicContact CB-CD1 3.93Å; W1493-I1553 VanDerWaalsContact O-CD1 3.27Å; W1493-I1553 WeakPolarHBondContact O-CD1 3.44Å; V1495-I1553 HydrophobicContact CG2-CD1 3.68Å; V1495-I1553 HydrophobicContact CG2-CG1 4.3Å; I1512-I1553 HydrophobicContact CD1-CG2 4.2Å; I1512-I1553 HydrophobicContact CG2-CD1 4.05Å; I1512-I1553 HydrophobicContact CG2-CG2 4.03Å; I1544-I1553 HydrophobicContact CG2-CG2 3.7Å; I1553-V1555 HydrophobicContact CG2-CG2 4.49Å; I1553-A1591 HydrophobicContact CB-CB 3.91Å; I1553-A1591 HydrophobicContact CG2-CB 3.87Å; I1553-A1591 PolarHBondContact O-N 3.04Å
1554I89.2Confident86.1Confident1 Ų154.4 Ų54.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-105136.4177.7-56.7-57.6000108.9R1545 E1547 E1588 N1589 E1590R1545-I1554 HydrophobicContact CG-CB 3.87Å; R1545-I1554 HydrophobicContact CG-CG2 4.18Å; R1545-I1554 PolarHBondContact N-O 2.93Å; R1545-I1554 PolarHBondContact O-N 3.04Å; E1547-I1554 HydrophobicContact CB-CG1 3.8Å; I1554-E1588 HydrophobicContact CG2-CB 3.81Å; I1554-E1588 HydrophobicContact CG2-CG 4.38Å; I1554-N1589 CarbonylContact C-O 3.58Å; I1554-N1589 WeakPolarHBondContact CA-O 3.31Å; I1554-E1590 HydrophobicContact CD1-CG 4.03Å
1555V92.5Very high85.8Confident0 Ų058.1 Ų58.10%027%0.27CS..EExtended strand (participates in β ladder)trans-122.6119.3-176.9-177.50000107.8I1512 F1529 V1541 I1544 I1553 A1557 N1589 A1591 I1594I1512-V1555 HydrophobicContact CD1-CG2 4.12Å; F1529-V1555 HydrophobicContact CE1-CG1 4.43Å; F1529-V1555 HydrophobicContact CZ-CG1 4.29Å; V1541-V1555 HydrophobicContact CB-CG1 4.29Å; V1541-V1555 HydrophobicContact CG1-CG1 3.65Å; V1541-V1555 HydrophobicContact CG2-CG1 3.85Å; I1544-V1555 HydrophobicContact CG2-CG2 4.41Å; I1553-V1555 HydrophobicContact CG2-CG2 4.49Å; V1555-A1557 PolarHBondContact O-N 3.34Å; V1555-N1589 PolarHBondContact N-O 2.89Å; V1555-N1589 PolarHBondContact O-N 3.17Å; V1555-A1591 HydrophobicContact CG2-CB 4.02Å; V1555-I1594 HydrophobicContact CG1-CD1 4.42Å; V1555-I1594 HydrophobicContact CG2-CD1 4.12Å
1556V93.4Very high85.5Confident19 Ų1956.7 Ų56.712%0.11526%0.264CS..EExtended strand (participates in β ladder)trans-85.5110.1174-170.30000108.2K1542 E1543 K1586 D1587 E1588K1542-V1556 PolarHBondContact N-O 3.09Å; E1543-V1556 HydrophobicContact CB-CB 3.93Å; E1543-V1556 HydrophobicContact CB-CG2 3.84Å; E1543-V1556 HydrophobicContact CG-CG2 4.27Å; E1543-V1556 PolarHBondContact N-O 3.43Å; E1543-V1556 PolarHBondContact O-N 3.07Å; V1556-K1586 HydrophobicContact CG1-CB 4.24Å; V1556-D1587 WeakPolarHBondContact CA-O 3.43Å; V1556-E1588 HydrophobicContact CG2-CG 4.4Å
1557A93.7Very high85.5Confident0 Ų054.1 Ų54.10%026%0.264CS..EExtended strand (participates in β ladder)trans-92.7140.7177.100000109.8F1529 E1540 V1555 W1559 K1586 D1587F1529-A1557 HydrophobicContact CD2-CB 4.46Å; F1529-A1557 HydrophobicContact CE1-CB 4.36Å; F1529-A1557 HydrophobicContact CE2-CB 3.62Å; F1529-A1557 HydrophobicContact CZ-CB 3.57Å; E1540-A1557 WeakPolarHBondContact O-CA 3.41Å; V1555-A1557 PolarHBondContact O-N 3.34Å; A1557-W1559 HydrophobicContact CB-CD2 4.48Å; A1557-W1559 HydrophobicContact CB-CH2 4.42Å; A1557-W1559 HydrophobicContact CB-CZ2 4.38Å; A1557-W1559 HydrophobicContact CB-CZ3 4.49Å; A1557-K1586 WeakPolarHBondContact O-CA 3.41Å; A1557-D1587 PolarHBondContact N-O 2.84Å; A1557-D1587 PolarHBondContact O-N 2.84Å; A1557-D1587 VanDerWaalsContact O-N 3.16Å
1558A93.7Very high85.4Confident9 Ų961.5 Ų61.57%0.07430%0.296CS..EExtended strand (participates in β ladder)trans-101.8123.816000000108.6G1539 E1540 K1542 H1585 K1586G1539-A1558 CarbonylContact C-O 3.56Å; G1539-A1558 WeakPolarHBondContact CA-O 3.46Å; E1540-A1558 PolarHBondContact N-O 2.89Å; E1540-A1558 PolarHBondContact O-N 3.12Å; K1542-A1558 HydrophobicContact CD-CB 4.25Å; K1542-A1558 HydrophobicContact CG-CB 3.65Å; A1558-H1585 WeakPolarHBondContact CA-O 3.16Å; A1558-K1586 HydrophobicContact CB-CG 4.06Å
1559W94.1Very high85.7Confident25 Ų2557.6 Ų57.610%0.09528%0.279CS..EExtended strand (participates in β ladder)trans-83.8139.1-166.9-65.2118.2000113.8F1529 Y1537 A1557 Y1561 T1583 H1585 D1587 N1589F1529-W1559 HydrophobicContact CB-CH2 3.88Å; F1529-W1559 HydrophobicContact CB-CZ3 3.91Å; F1529-W1559 HydrophobicContact CD1-CH2 4.48Å; F1529-W1559 HydrophobicContact CD2-CE3 4.44Å; F1529-W1559 AromaticContact CD2-CH2 3.89Å; F1529-W1559 HydrophobicContact CD2-CH2 3.89Å; F1529-W1559 AromaticContact CD2-CZ3 3.47Å; F1529-W1559 HydrophobicContact CD2-CZ3 3.47Å; F1529-W1559 VanDerWaalsContact CD2-CZ3 3.47Å; F1529-W1559 HydrophobicContact CE2-CZ3 4.18Å; F1529-W1559 AromaticContact CG-CH2 3.84Å; F1529-W1559 HydrophobicContact CG-CH2 3.84Å; F1529-W1559 AromaticContact CG-CZ3 3.85Å; F1529-W1559 HydrophobicContact CG-CZ3 3.85Å; Y1537-W1559 VanDerWaalsContact CB-CZ3 3.45Å; Y1537-W1559 HydrophobicContact CG-CZ3 4.47Å; A1557-W1559 HydrophobicContact CB-CD2 4.48Å; A1557-W1559 HydrophobicContact CB-CH2 4.42Å; A1557-W1559 HydrophobicContact CB-CZ2 4.38Å; A1557-W1559 HydrophobicContact CB-CZ3 4.49Å; W1559-Y1561 HydrophobicContact CB-CD2 4.28Å; W1559-Y1561 HydrophobicContact CB-CE2 3.91Å; W1559-T1583 PolarHBondContact O-N 2.94Å; W1559-T1583 PolarHBondContact O-OG1 3.25Å; W1559-H1585 AromaticContact CD1-CE1 3.75Å; W1559-H1585 AromaticContact CD1-CG 3.8Å; W1559-H1585 AromaticContact CD1-ND1 3.42Å; W1559-H1585 PolarHBondContact N-O 2.8Å; W1559-H1585 VanDerWaalsContact N-O 3.11Å; W1559-D1587 HydrophobicContact CZ2-CB 4.39Å; W1559-D1587 PolarHBondContact NE1-OD2 2.7Å; W1559-N1589 VanDerWaalsContact CZ2-ND2 3.33Å; W1559-N1589 WeakPolarHBondContact CZ2-ND2 3.43Å
1560Y93.2Very high85.9Confident16 Ų1648.4 Ų48.46%0.06324%0.239CC..EExtended strand (participates in β ladder)trans-94.2130.3164.7-62.7-72.6000109.7C1526 L1538 E1540 L1580 F1581 T1582 I1600 I1717C1526-Y1560 HydrophobicContact CB-CE2 4.38Å; C1526-Y1560 PolarHBondContact SG-OH 2.86Å; L1538-Y1560 HydrophobicContact CB-CD2 4.2Å; L1538-Y1560 PolarHBondContact O-N 3.22Å; E1540-Y1560 HydrophobicContact CB-CE2 4.09Å; Y1560-L1580 HydrophobicContact CG-CD1 4.38Å; Y1560-F1581 CarbonylContact C-O 3.59Å; Y1560-F1581 VanDerWaalsContact CA-O 3.31Å; Y1560-F1581 WeakPolarHBondContact CA-O 3.33Å; Y1560-T1582 HydrophobicContact CD1-CG2 4Å; Y1560-T1582 HydrophobicContact CE1-CG2 3.6Å; Y1560-I1600 HydrophobicContact CD2-CD1 3.79Å; Y1560-I1600 HydrophobicContact CE2-CD1 3.6Å; Y1560-I1600 HydrophobicContact CG-CD1 4.48Å; Y1560-I1717 HydrophobicContact CE1-CD1 3.98Å; Y1560-I1717 HydrophobicContact CE1-CG1 4.01Å
1561Y90.1Very high86.2Confident47 Ų4746.5 Ų46.518%0.18424%0.237CC..EExtended strand (participates in β ladder)trans-100140.7178.8-82.3-120.1000110.2W1559 E1565 L1580 F1581 T1583 H1585 Y1721 P1723W1559-Y1561 HydrophobicContact CB-CD2 4.28Å; W1559-Y1561 HydrophobicContact CB-CE2 3.91Å; Y1561-E1565 WeakPolarHBondContact CA-OE2 3.24Å; Y1561-E1565 HydrophobicContact CD1-CB 3.72Å; Y1561-E1565 HydrophobicContact CG-CB 4.48Å; Y1561-L1580 WeakPolarHBondContact O-CA 3.18Å; Y1561-F1581 PolarHBondContact N-O 2.84Å; Y1561-F1581 PolarHBondContact O-N 2.74Å; Y1561-T1583 HydrophobicContact CD2-CG2 3.29Å; Y1561-T1583 HydrophobicContact CE2-CG2 3.75Å; Y1561-T1583 HydrophobicContact CG-CG2 3.87Å; Y1561-H1585 HydrophobicContact CE2-CB 4.39Å; Y1561-H1585 AromaticContact CE2-ND1 3.99Å; Y1561-H1585 AromaticContact CZ-ND1 3.92Å; Y1561-H1585 PolarHBondContact OH-ND1 2.83Å; Y1561-Y1721 HydrophobicContact CD1-CD1 4.3Å; Y1561-Y1721 HydrophobicContact CD1-CE1 4.08Å; Y1561-Y1721 HydrophobicContact CG-CD1 4.36Å; Y1561-P1723 HydrophobicContact CE1-CG 4.46Å; Y1561-P1723 HydrophobicContact CE2-CG 4.4Å
1562Q86.6Confident86.3Confident96 Ų9644.8 Ų44.845%0.44923%0.227SC..PPolyproline II helixtrans-75160.4173.6-59.8-170.210.300111.1L1564 E1565 A1566 L1580Q1562-L1564 VanDerWaalsContact C-N 3.26Å; Q1562-L1564 PolarHBondContact O-N 2.82Å; Q1562-E1565 HydrophobicContact CB-CG 4.2Å; Q1562-E1565 PolarHBondContact N-OE2 3.47Å; Q1562-E1565 PolarHBondContact O-N 2.8Å; Q1562-A1566 PolarHBondContact O-N 3.3Å; Q1562-A1566 VanDerWaalsContact O-N 3.17Å; Q1562-L1580 HydrophobicContact CG-CD2 4.28Å
1563P84.4Confident86.2Confident19 Ų1943.2 Ų43.212%0.12322%0.216CC..THydrogen-bonded Turntrans-56.8-37.3-178-28.338.4000113.7E1565 A1566 G1570 V1573 A1579P1563-E1565 VanDerWaalsContact C-N 3.33Å; P1563-E1565 PolarHBondContact O-N 3.48Å; P1563-A1566 PolarHBondContact O-N 3.29Å; P1563-G1570 WeakPolarHBondContact CB-O 3.13Å; P1563-G1570 CarbonylContact O-C 3.56Å; P1563-G1570 VanDerWaalsContact O-C 3.26Å; P1563-G1570 WeakPolarHBondContact O-CA 3.23Å; P1563-V1573 HydrophobicContact CB-CG2 4.18Å; P1563-V1573 HydrophobicContact CG-CG2 4.32Å; P1563-A1579 VanDerWaalsContact CD-O 3.29Å; P1563-A1579 WeakPolarHBondContact CD-O 3.33Å; P1563-A1579 HydrophobicContact CG-CB 3.88Å; P1563-A1579 WeakPolarHBondContact CG-O 3.01Å
1564L82.4Confident85.5Confident123 Ų12347 Ų4764%0.64423%0.234SC*.THydrogen-bonded Turntrans-68.8-29.6178-170.663.2000113Q1562Q1562-L1564 VanDerWaalsContact C-N 3.26Å; Q1562-L1564 PolarHBondContact O-N 2.82Å
1565E85.8Confident84.8Confident79 Ų7954.5 Ų54.537%0.36927%0.274SS..THydrogen-bonded Turntrans-81-21.6177.9-55.4175.5137.100112.3Y1561 Q1562 P1563 G1567 Y1721Y1561-E1565 WeakPolarHBondContact CA-OE2 3.24Å; Y1561-E1565 HydrophobicContact CD1-CB 3.72Å; Y1561-E1565 HydrophobicContact CG-CB 4.48Å; Q1562-E1565 HydrophobicContact CB-CG 4.2Å; Q1562-E1565 PolarHBondContact N-OE2 3.47Å; Q1562-E1565 PolarHBondContact O-N 2.8Å; P1563-E1565 VanDerWaalsContact C-N 3.33Å; P1563-E1565 PolarHBondContact O-N 3.48Å; E1565-G1567 PolarHBondContact O-N 2.97Å; E1565-Y1721 PolarHBondContact O-OH 3.43Å
1566A82.5Confident84.2Confident0 Ų056.2 Ų56.20%028%0.282CS..THydrogen-bonded Turntrans-83.514.2179.200000114.1Q1562 P1563 G1570 F1581 Y1721Q1562-A1566 PolarHBondContact O-N 3.3Å; Q1562-A1566 VanDerWaalsContact O-N 3.17Å; P1563-A1566 PolarHBondContact O-N 3.29Å; A1566-G1570 PolarHBondContact O-N 2.89Å; A1566-F1581 HydrophobicContact CB-CD2 3.58Å; A1566-F1581 HydrophobicContact CB-CE2 3.89Å; A1566-F1581 HydrophobicContact CB-CG 4.13Å; A1566-Y1721 HydrophobicContact CB-CD1 4.31Å; A1566-Y1721 HydrophobicContact CB-CD2 3.96Å; A1566-Y1721 HydrophobicContact CB-CE1 4.39Å; A1566-Y1721 HydrophobicContact CB-CE2 4.06Å; A1566-Y1721 HydrophobicContact CB-CG 4.1Å; A1566-Y1721 VanDerWaalsContact O-CE2 3.31Å; A1566-Y1721 WeakPolarHBondContact O-CE2 3.29Å
1567G80.4Confident83.5Confident32 Ų3263.6 Ų63.633%0.3331%0.313SS..Hα-helixtrans68.1-154172.900000114.2E1565 D1569 G1570 Q1571E1565-G1567 PolarHBondContact O-N 2.97Å; G1567-D1569 VanDerWaalsContact C-N 3.3Å; G1567-D1569 PolarHBondContact O-N 2.86Å; G1567-G1570 PolarHBondContact O-N 2.92Å; G1567-G1570 VanDerWaalsContact O-N 3.12Å; G1567-Q1571 PolarHBondContact O-N 3.44Å
1568K80.3Confident82.9Confident184 Ų18464.2 Ų64.280%0.832%0.32SS*.Hα-helixtrans-60.8-37.1-175-66.9-177.5179-179.30113.3
1569D80Confident82.6Confident43 Ų4364 Ų6423%0.2332%0.318CS..Hα-helixtrans-66.7-44.4175.7-71.8-5000110.3G1567 Q1571 L1572 Q1727 V1728 W1731G1567-D1569 VanDerWaalsContact C-N 3.3Å; G1567-D1569 PolarHBondContact O-N 2.86Å; D1569-Q1571 VanDerWaalsContact C-N 3.32Å; D1569-Q1571 PolarHBondContact O-N 3.16Å; D1569-L1572 WeakPolarHBondContact O-CB 3.5Å; D1569-L1572 WeakPolarHBondContact O-CG 3.14Å; D1569-L1572 PolarHBondContact O-N 3.47Å; D1569-Q1727 WeakPolarHBondContact OD2-CG 3.47Å; D1569-V1728 HydrophobicContact CB-CB 4.06Å; D1569-V1728 HydrophobicContact CB-CG2 3.6Å; D1569-V1728 PolarHBondContact OD2-N 2.92Å; D1569-W1731 HydrophobicContact CB-CZ2 4.23Å; D1569-W1731 VanDerWaalsContact O-CH2 3.29Å; D1569-W1731 WeakPolarHBondContact O-CH2 3.47Å
1570G79.6Confident82.4Confident0 Ų063 Ų630%031%0.314CS..Hα-helixtrans-63.1-34.2177.600000114P1563 A1566 G1567 L1572 V1573P1563-G1570 WeakPolarHBondContact CB-O 3.13Å; P1563-G1570 CarbonylContact O-C 3.56Å; P1563-G1570 VanDerWaalsContact O-C 3.26Å; P1563-G1570 WeakPolarHBondContact O-CA 3.23Å; A1566-G1570 PolarHBondContact O-N 2.89Å; G1567-G1570 PolarHBondContact O-N 2.92Å; G1567-G1570 VanDerWaalsContact O-N 3.12Å; G1570-L1572 PolarHBondContact O-N 3.25Å; G1570-L1572 VanDerWaalsContact O-N 3.12Å; G1570-V1573 VanDerWaalsContact O-CG2 3.29Å; G1570-V1573 WeakPolarHBondContact O-CG2 3.45Å; G1570-V1573 PolarHBondContact O-N 3.11Å
1571Q80.6Confident82.2Confident112 Ų11262.2 Ų62.252%0.52331%0.311SS..Hα-helixtrans-59.4-24.4177.6-172.2158.84200113.4G1567 D1569 V1573 Q1574G1567-Q1571 PolarHBondContact O-N 3.44Å; D1569-Q1571 VanDerWaalsContact C-N 3.32Å; D1569-Q1571 PolarHBondContact O-N 3.16Å; Q1571-V1573 PolarHBondContact O-N 2.88Å; Q1571-V1573 VanDerWaalsContact O-N 3.16Å; Q1571-Q1574 WeakPolarHBondContact O-CB 3.35Å; Q1571-Q1574 PolarHBondContact O-N 2.9Å; Q1571-Q1574 VanDerWaalsContact O-N 3.13Å
1572L78.3Confident82.2Confident90 Ų9061.8 Ų61.847%0.47131%0.313SS..THydrogen-bonded Turntrans-63.2-17.6175.3-58.2176.2000114.1D1569 G1570 W1731 L1739 L1741D1569-L1572 WeakPolarHBondContact O-CB 3.5Å; D1569-L1572 WeakPolarHBondContact O-CG 3.14Å; D1569-L1572 PolarHBondContact O-N 3.47Å; G1570-L1572 PolarHBondContact O-N 3.25Å; G1570-L1572 VanDerWaalsContact O-N 3.12Å; L1572-W1731 HydrophobicContact CD1-CZ2 4.49Å; L1572-L1739 WeakPolarHBondContact O-CD2 3.44Å; L1572-L1741 HydrophobicContact CD1-CD2 4.32Å
1573V81Confident82.2Confident0 Ų058 Ų580%030%0.296CS..THydrogen-bonded Turntrans-11815.9175.6-62.90000113P1563 G1570 Q1571 D1575 I1576 A1579 F1581 W1731 L1739P1563-V1573 HydrophobicContact CB-CG2 4.18Å; P1563-V1573 HydrophobicContact CG-CG2 4.32Å; G1570-V1573 VanDerWaalsContact O-CG2 3.29Å; G1570-V1573 WeakPolarHBondContact O-CG2 3.45Å; G1570-V1573 PolarHBondContact O-N 3.11Å; Q1571-V1573 PolarHBondContact O-N 2.88Å; Q1571-V1573 VanDerWaalsContact O-N 3.16Å; V1573-D1575 PolarHBondContact O-N 2.82Å; V1573-I1576 HydrophobicContact CB-CB 4.48Å; V1573-I1576 HydrophobicContact CB-CD1 4.2Å; V1573-I1576 HydrophobicContact CB-CG1 4.41Å; V1573-I1576 HydrophobicContact CG1-CD1 4Å; V1573-I1576 PolarHBondContact O-N 2.93Å; V1573-A1579 HydrophobicContact CB-CB 4.35Å; V1573-A1579 HydrophobicContact CG2-CB 4.07Å; V1573-F1581 HydrophobicContact CG2-CE2 3.75Å; V1573-F1581 HydrophobicContact CG2-CZ 3.64Å; V1573-W1731 HydrophobicContact CG1-CH2 4.23Å; V1573-W1731 HydrophobicContact CG1-CZ3 3.68Å; V1573-W1731 HydrophobicContact CG2-CZ3 4.22Å; V1573-L1739 HydrophobicContact CG1-CD1 3.54Å; V1573-L1739 HydrophobicContact CG1-CD2 4.3Å; V1573-L1739 HydrophobicContact CG1-CG 4.47Å
1574Q73.2Confident82.2Confident93 Ų9363.7 Ų63.744%0.43532%0.321SS..THydrogen-bonded Turntrans-59.5-36.1178.3-176.4171.74.400112.1Q1571 I1576Q1571-Q1574 WeakPolarHBondContact O-CB 3.35Å; Q1571-Q1574 PolarHBondContact O-N 2.9Å; Q1571-Q1574 VanDerWaalsContact O-N 3.13Å; Q1574-I1576 PolarHBondContact O-N 2.84Å
1575D75.7Confident82.5Confident158 Ų15861 Ų6185%0.84531%0.306SS*.THydrogen-bonded Turntrans-71.8-13.3178.6-55.6-29.4000113V1573 K1577V1573-D1575 PolarHBondContact O-N 2.82Å; D1575-K1577 PolarHBondContact O-N 3.43Å
1576I78.6Confident82.7Confident35 Ų3563.3 Ų63.318%0.17932%0.315CS..SBendtrans-95.892.9-176.3-48.4-176.9000109.6V1573 Q1574 G1578 A1579 Y1604 F1716 L1735V1573-I1576 HydrophobicContact CB-CB 4.48Å; V1573-I1576 HydrophobicContact CB-CD1 4.2Å; V1573-I1576 HydrophobicContact CB-CG1 4.41Å; V1573-I1576 HydrophobicContact CG1-CD1 4Å; V1573-I1576 PolarHBondContact O-N 2.93Å; Q1574-I1576 PolarHBondContact O-N 2.84Å; I1576-G1578 PolarHBondContact O-N 2.85Å; I1576-A1579 WeakPolarHBondContact O-CB 3.28Å; I1576-A1579 PolarHBondContact O-N 2.78Å; I1576-Y1604 HydrophobicContact CG2-CE2 3.9Å; I1576-F1716 HydrophobicContact CG2-CE1 3.96Å; I1576-F1716 HydrophobicContact CG2-CZ 3.68Å; I1576-L1735 HydrophobicContact CD1-CD2 3.4Å
1577K78.9Confident83.1Confident175 Ų17566.4 Ų66.476%0.76133%0.331SS*.THydrogen-bonded Turntrans-52.7129.2179.1-171171.5-177.1173.30111.4D1575 F1607D1575-K1577 PolarHBondContact O-N 3.43Å; K1577-F1607 WeakPolarHBondContact O-CZ 3.32Å
1578G81.4Confident83.6Confident13 Ų1369.6 Ų69.613%0.13434%0.337CS..THydrogen-bonded Turntrans94.2-4.6178.400000115.6I1576 Y1715 F1716I1576-G1578 PolarHBondContact O-N 2.85Å; G1578-Y1715 CarbonylContact O-C 3.54Å; G1578-Y1715 VanDerWaalsContact O-CA 3.25Å; G1578-Y1715 WeakPolarHBondContact O-CA 3.37Å; G1578-F1716 PolarHBondContact O-N 3.48Å
1579A86.4Confident84.1Confident4 Ų462.4 Ų62.43%0.03331%0.308CS..EExtended strand (participates in β ladder)trans-63.8131.7177.100000112.7P1563 V1573 I1576 F1716 A1718P1563-A1579 VanDerWaalsContact CD-O 3.29Å; P1563-A1579 WeakPolarHBondContact CD-O 3.33Å; P1563-A1579 HydrophobicContact CG-CB 3.88Å; P1563-A1579 WeakPolarHBondContact CG-O 3.01Å; V1573-A1579 HydrophobicContact CB-CB 4.35Å; V1573-A1579 HydrophobicContact CG2-CB 4.07Å; I1576-A1579 WeakPolarHBondContact O-CB 3.28Å; I1576-A1579 PolarHBondContact O-N 2.78Å; A1579-F1716 VanDerWaalsContact CA-CZ 3.4Å; A1579-F1716 HydrophobicContact CB-CE1 4.17Å; A1579-F1716 HydrophobicContact CB-CE2 3.87Å; A1579-F1716 HydrophobicContact CB-CZ 3.48Å; A1579-F1716 VanDerWaalsContact CB-CZ 3.48Å; A1579-A1718 HydrophobicContact CB-CB 4.19Å
1580L90.2Very high84.6Confident3 Ų362.9 Ų62.92%0.01631%0.309CS..EExtended strand (participates in β ladder)trans-136.4150.1173.6-65.5176.6000111.7L1538 Y1560 Y1561 Q1562 I1600 Y1715 F1716 I1717 A1718L1538-L1580 HydrophobicContact CD1-CD1 3.65Å; L1538-L1580 HydrophobicContact CD1-CD2 4.2Å; Y1560-L1580 HydrophobicContact CG-CD1 4.38Å; Y1561-L1580 WeakPolarHBondContact O-CA 3.18Å; Q1562-L1580 HydrophobicContact CG-CD2 4.28Å; L1580-I1600 HydrophobicContact CD1-CD1 4.02Å; L1580-I1600 HydrophobicContact CD1-CG2 4.44Å; L1580-Y1715 HydrophobicContact CD1-CD1 3.82Å; L1580-Y1715 HydrophobicContact CD1-CG 3.84Å; L1580-Y1715 HydrophobicContact CD2-CD1 4.25Å; L1580-Y1715 HydrophobicContact CG-CD1 3.97Å; L1580-Y1715 HydrophobicContact CG-CG 4.41Å; L1580-F1716 PolarHBondContact N-O 2.72Å; L1580-I1717 CarbonylContact O-C 3.32Å; L1580-I1717 WeakPolarHBondContact O-CA 3.37Å; L1580-A1718 PolarHBondContact O-N 3.28Å
1581F90.1Very high85Confident0 Ų063 Ų630%031%0.309CS..EExtended strand (participates in β ladder)trans-107.7130.3175.5-67.8-85.8000111.8Y1560 Y1561 A1566 V1573 A1718 V1728 W1731Y1560-F1581 CarbonylContact C-O 3.59Å; Y1560-F1581 VanDerWaalsContact CA-O 3.31Å; Y1560-F1581 WeakPolarHBondContact CA-O 3.33Å; Y1561-F1581 PolarHBondContact N-O 2.84Å; Y1561-F1581 PolarHBondContact O-N 2.74Å; A1566-F1581 HydrophobicContact CB-CD2 3.58Å; A1566-F1581 HydrophobicContact CB-CE2 3.89Å; A1566-F1581 HydrophobicContact CB-CG 4.13Å; V1573-F1581 HydrophobicContact CG2-CE2 3.75Å; V1573-F1581 HydrophobicContact CG2-CZ 3.64Å; F1581-A1718 HydrophobicContact CD1-CB 4.48Å; F1581-A1718 HydrophobicContact CE1-CB 4.07Å; F1581-A1718 HydrophobicContact CE2-CB 4.48Å; F1581-A1718 HydrophobicContact CZ-CB 4.08Å; F1581-V1728 HydrophobicContact CD1-CG1 4.34Å; F1581-V1728 HydrophobicContact CD1-CG2 3.98Å; F1581-V1728 HydrophobicContact CE1-CB 4.49Å; F1581-V1728 HydrophobicContact CE1-CG1 3.99Å; F1581-V1728 HydrophobicContact CE1-CG2 3.59Å; F1581-V1728 HydrophobicContact CZ-CG2 4.13Å; F1581-W1731 HydrophobicContact CE1-CE3 4.19Å; F1581-W1731 HydrophobicContact CE1-CH2 4.01Å; F1581-W1731 AromaticContact CE1-CZ3 3.74Å; F1581-W1731 HydrophobicContact CE1-CZ3 3.74Å; F1581-W1731 HydrophobicContact CZ-CE3 4.49Å; F1581-W1731 AromaticContact CZ-CH2 3.75Å; F1581-W1731 HydrophobicContact CZ-CH2 3.75Å; F1581-W1731 AromaticContact CZ-CZ3 3.62Å; F1581-W1731 HydrophobicContact CZ-CZ3 3.62Å
1582T90.2Very high85.2Confident39 Ų3963.6 Ų63.624%0.23931%0.31CS..EExtended strand (participates in β ladder)trans-72143.6168.250.50000110.6Y1560 I1717 G1719 K1720 Y1721Y1560-T1582 HydrophobicContact CD1-CG2 4Å; Y1560-T1582 HydrophobicContact CE1-CG2 3.6Å; T1582-I1717 HydrophobicContact CG2-CD1 3.79Å; T1582-I1717 HydrophobicContact CG2-CG1 4.11Å; T1582-I1717 HydrophobicContact CG2-CG2 3.72Å; T1582-G1719 PolarHBondContact N-O 3.19Å; T1582-G1719 PolarHBondContact OG1-O 3.16Å; T1582-K1720 CarbonylContact O-C 3.52Å; T1582-K1720 WeakPolarHBondContact O-CA 3.3Å; T1582-K1720 WeakPolarHBondContact OG1-CA 3.48Å; T1582-Y1721 PolarHBondContact O-N 3.24Å
1583T86.9Confident85.8Confident15 Ų1560.9 Ų60.99%0.09230%0.298CS..EExtended strand (participates in β ladder)trans-131.1168.4176.368.80000112.1W1559 Y1561 H1585 Y1721 P1723W1559-T1583 PolarHBondContact O-N 2.94Å; W1559-T1583 PolarHBondContact O-OG1 3.25Å; Y1561-T1583 HydrophobicContact CD2-CG2 3.29Å; Y1561-T1583 HydrophobicContact CE2-CG2 3.75Å; Y1561-T1583 HydrophobicContact CG-CG2 3.87Å; T1583-H1585 VanDerWaalsContact C-N 3.29Å; T1583-H1585 WeakPolarHBondContact OG1-CB 3.16Å; T1583-H1585 PolarHBondContact OG1-N 2.83Å; T1583-Y1721 HydrophobicContact CG2-CD1 3.91Å; T1583-P1723 HydrophobicContact CG2-CG 3.92Å
1584E84.5Confident86.2Confident139 Ų13961 Ų6165%0.6530%0.299SS*.EExtended strand (participates in β ladder)trans-85.9-3168.6-59.8-165.4169.900112.9K1586 K1720E1584-K1586 PolarHBondContact O-N 2.96Å; E1584-K1720 WeakPolarHBondContact OE1-CE 3.45Å; E1584-K1720 IonicContact OE1-NZ 3.37Å; E1584-K1720 PolarHBondContact OE1-NZ 2.89Å
1585H88.4Confident86.9Confident68 Ų6861.2 Ų61.232%0.31530%0.299SS..EExtended strand (participates in β ladder)trans-67.4123.6179.5-172.2-155.2000110.2A1558 W1559 Y1561 T1583 D1587A1558-H1585 WeakPolarHBondContact CA-O 3.16Å; W1559-H1585 AromaticContact CD1-CE1 3.75Å; W1559-H1585 AromaticContact CD1-CG 3.8Å; W1559-H1585 AromaticContact CD1-ND1 3.42Å; W1559-H1585 PolarHBondContact N-O 2.8Å; W1559-H1585 VanDerWaalsContact N-O 3.11Å; Y1561-H1585 HydrophobicContact CE2-CB 4.39Å; Y1561-H1585 AromaticContact CE2-ND1 3.99Å; Y1561-H1585 AromaticContact CZ-ND1 3.92Å; Y1561-H1585 PolarHBondContact OH-ND1 2.83Å; T1583-H1585 VanDerWaalsContact C-N 3.29Å; T1583-H1585 WeakPolarHBondContact OG1-CB 3.16Å; T1583-H1585 PolarHBondContact OG1-N 2.83Å; H1585-D1587 IonicContact CE1-OD2 2.66Å; H1585-D1587 PolarHBondContact CE1-OD2 2.81Å; H1585-D1587 IonicContact NE2-OD1 3.43Å; H1585-D1587 IonicContact NE2-OD2 3.7Å; H1585-D1587 PolarHBondContact NE2-OD2 3.21Å
1586K90.3Very high87.5Confident127 Ų12759.3 Ų59.355%0.55228%0.279SS*.EExtended strand (participates in β ladder)trans-135.9128-178.8-66.1173.6-171.6169.80111.2V1556 A1557 A1558 E1584V1556-K1586 HydrophobicContact CG1-CB 4.24Å; A1557-K1586 WeakPolarHBondContact O-CA 3.41Å; A1558-K1586 HydrophobicContact CB-CG 4.06Å; E1584-K1586 PolarHBondContact O-N 2.96Å
1587D91.1Very high88Confident65 Ų6564 Ų6435%0.34830%0.295SS..EExtended strand (participates in β ladder)trans-123.6152.7178.3-72.5-43.4000112.8V1556 A1557 W1559 H1585 N1589V1556-D1587 WeakPolarHBondContact CA-O 3.43Å; A1557-D1587 PolarHBondContact N-O 2.84Å; A1557-D1587 PolarHBondContact O-N 2.84Å; A1557-D1587 VanDerWaalsContact O-N 3.16Å; W1559-D1587 HydrophobicContact CZ2-CB 4.39Å; W1559-D1587 PolarHBondContact NE1-OD2 2.7Å; H1585-D1587 IonicContact CE1-OD2 2.66Å; H1585-D1587 PolarHBondContact CE1-OD2 2.81Å; H1585-D1587 IonicContact NE2-OD1 3.43Å; H1585-D1587 IonicContact NE2-OD2 3.7Å; H1585-D1587 PolarHBondContact NE2-OD2 3.21Å; D1587-N1589 PolarHBondContact O-ND2 2.83Å
1588E90.8Very high88.5Confident99 Ų9956.3 Ų56.346%0.46326%0.262SS..EExtended strand (participates in β ladder)trans-90.7104.5172.5-60.6-157.9143.600111R1545 I1554 V1556R1545-E1588 IonicContact CZ-OE1 3.16Å; R1545-E1588 IonicContact CZ-OE2 2.8Å; R1545-E1588 IonicContact NE-OE1 2.74Å; R1545-E1588 PolarHBondContact NE-OE1 2.79Å; R1545-E1588 IonicContact NE-OE2 3.3Å; R1545-E1588 IonicContact NH2-OE1 3.02Å; R1545-E1588 PolarHBondContact NH2-OE1 3.46Å; R1545-E1588 IonicContact NH2-OE2 3.39Å; R1545-E1588 PolarHBondContact NH2-OE2 3.34Å; I1554-E1588 HydrophobicContact CG2-CB 3.81Å; I1554-E1588 HydrophobicContact CG2-CG 4.38Å; V1556-E1588 HydrophobicContact CG2-CG 4.4Å
1589N90.6Very high88.8Confident33 Ų3359.8 Ų59.818%0.17627%0.273CS..EExtended strand (participates in β ladder)trans-103.8158179-64-74.8000111.2F1529 I1554 V1555 W1559 D1587F1529-N1589 HydrophobicContact CD1-CB 4.4Å; F1529-N1589 HydrophobicContact CE1-CB 4.25Å; I1554-N1589 CarbonylContact C-O 3.58Å; I1554-N1589 WeakPolarHBondContact CA-O 3.31Å; V1555-N1589 PolarHBondContact N-O 2.89Å; V1555-N1589 PolarHBondContact O-N 3.17Å; W1559-N1589 VanDerWaalsContact CZ2-ND2 3.33Å; W1559-N1589 WeakPolarHBondContact CZ2-ND2 3.43Å; D1587-N1589 PolarHBondContact O-ND2 2.83Å
1590E89.1Confident88.9Confident53 Ų5360.5 Ų60.525%0.24828%0.276CS..EExtended strand (participates in β ladder)trans-80.1145.1169.6-62.5-169.2163.100110I1554 K1592 C1593I1554-E1590 HydrophobicContact CD1-CG 4.03Å; E1590-K1592 HydrophobicContact CB-CD 4.4Å; E1590-K1592 HydrophobicContact CB-CG 4.08Å; E1590-K1592 PolarHBondContact O-N 3.41Å; E1590-K1592 VanDerWaalsContact O-N 3.09Å; E1590-K1592 WeakPolarHBondContact OE2-CD 3.31Å; E1590-K1592 WeakPolarHBondContact OE2-CE 3.5Å; E1590-K1592 IonicContact OE2-NZ 3.31Å; E1590-K1592 PolarHBondContact OE2-NZ 3.42Å; E1590-C1593 VanDerWaalsContact O-CB 3.28Å; E1590-C1593 WeakPolarHBondContact O-CB 3.35Å; E1590-C1593 PolarHBondContact O-N 2.98Å
1591A88.2Confident88.7Confident2 Ų260.3 Ų60.32%0.01728%0.276CS..G310 helixtrans-56.3-31.1-178.600000113.2W1493 I1512 I1553 V1555 C1593 I1594W1493-A1591 HydrophobicContact CB-CB 4Å; W1493-A1591 HydrophobicContact CD2-CB 3.95Å; W1493-A1591 VanDerWaalsContact CE2-O 3.3Å; W1493-A1591 HydrophobicContact CG-CB 3.59Å; W1493-A1591 VanDerWaalsContact NE1-C 3.31Å; W1493-A1591 PolarHBondContact NE1-O 2.88Å; W1493-A1591 VanDerWaalsContact NE1-O 3.1Å; I1512-A1591 HydrophobicContact CD1-CB 3.95Å; I1553-A1591 HydrophobicContact CB-CB 3.91Å; I1553-A1591 HydrophobicContact CG2-CB 3.87Å; I1553-A1591 PolarHBondContact O-N 3.04Å; V1555-A1591 HydrophobicContact CG2-CB 4.02Å; A1591-C1593 PolarHBondContact O-N 2.84Å; A1591-C1593 VanDerWaalsContact O-N 3.11Å; A1591-I1594 WeakPolarHBondContact O-CB 3.46Å; A1591-I1594 PolarHBondContact O-N 3.12Å
1592K85.5Confident88.5Confident125 Ų12568.3 Ų68.354%0.54331%0.31SS..G310 helixtrans-57.8-22.1174.980.2-170.3-168.2-156.50114.2E1590 I1594E1590-K1592 HydrophobicContact CB-CD 4.4Å; E1590-K1592 HydrophobicContact CB-CG 4.08Å; E1590-K1592 PolarHBondContact O-N 3.41Å; E1590-K1592 VanDerWaalsContact O-N 3.09Å; E1590-K1592 WeakPolarHBondContact OE2-CD 3.31Å; E1590-K1592 WeakPolarHBondContact OE2-CE 3.5Å; E1590-K1592 IonicContact OE2-NZ 3.31Å; E1590-K1592 PolarHBondContact OE2-NZ 3.42Å; K1592-I1594 PolarHBondContact O-N 2.78Å
1593C89.7Confident88.3Confident33 Ų3368.3 Ų68.322%0.22331%0.312CS..G310 helixtrans-71.3-17.4176.5-62.40000112.2F1529 G1530 E1590 A1591 K1595F1529-C1593 CarbonylContact C-O 3.54Å; F1529-C1593 VanDerWaalsContact CA-O 3.24Å; F1529-C1593 WeakPolarHBondContact CA-O 3.44Å; F1529-C1593 HydrophobicContact CD1-CB 4.06Å; G1530-C1593 PolarHBondContact N-O 3.12Å; E1590-C1593 VanDerWaalsContact O-CB 3.28Å; E1590-C1593 WeakPolarHBondContact O-CB 3.35Å; E1590-C1593 PolarHBondContact O-N 2.98Å; A1591-C1593 PolarHBondContact O-N 2.84Å; A1591-C1593 VanDerWaalsContact O-N 3.11Å; C1593-K1595 PolarHBondContact O-N 3.28Å
1594I90.8Very high88.1Confident1 Ų169.7 Ų69.71%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-73.9118.4178-59.8165.8000109.6W1493 I1512 R1514 L1519 V1521 V1527 F1529 V1555 A1591 K1592W1493-I1594 HydrophobicContact CH2-CB 4.12Å; W1493-I1594 HydrophobicContact CH2-CD1 4.29Å; W1493-I1594 HydrophobicContact CH2-CG2 4.08Å; W1493-I1594 HydrophobicContact CZ2-CB 3.79Å; W1493-I1594 HydrophobicContact CZ2-CD1 4.4Å; W1493-I1594 HydrophobicContact CZ2-CG2 4.18Å; I1512-I1594 HydrophobicContact CD1-CD1 4.28Å; R1514-I1594 PolarHBondContact NH1-O 3.15Å; L1519-I1594 HydrophobicContact CD2-CG2 4.47Å; V1521-I1594 HydrophobicContact CG1-CD1 4.32Å; V1521-I1594 HydrophobicContact CG2-CD1 4.43Å; V1521-I1594 HydrophobicContact CG2-CG2 4.23Å; V1527-I1594 HydrophobicContact CB-CG2 4.07Å; V1527-I1594 HydrophobicContact CG1-CG2 4.42Å; V1527-I1594 HydrophobicContact CG2-CG1 4.17Å; V1527-I1594 HydrophobicContact CG2-CG2 4.28Å; F1529-I1594 HydrophobicContact CD1-CG1 4.07Å; F1529-I1594 HydrophobicContact CE1-CD1 4.47Å; F1529-I1594 HydrophobicContact CE1-CG1 3.65Å; F1529-I1594 HydrophobicContact CZ-CG1 4.29Å; V1555-I1594 HydrophobicContact CG1-CD1 4.42Å; V1555-I1594 HydrophobicContact CG2-CD1 4.12Å; A1591-I1594 WeakPolarHBondContact O-CB 3.46Å; A1591-I1594 PolarHBondContact O-N 3.12Å; K1592-I1594 PolarHBondContact O-N 2.78Å
1595K87.3Confident87.9Confident99 Ų9964 Ų6443%0.4330%0.295SS..EExtended strand (participates in β ladder)trans-82-57172.6-72.6-161.2170.3-164.50111.9R1514 Q1528 C1593R1514-K1595 PolarHBondContact NH1-O 2.87Å; R1514-K1595 PolarHBondContact NH2-O 2.88Å; Q1528-K1595 PolarHBondContact O-N 3.28Å; C1593-K1595 PolarHBondContact O-N 3.28Å
1596R88.7Confident87.7Confident118 Ų11863.8 Ų63.845%0.44529%0.294SS..EExtended strand (participates in β ladder)trans-155.2165.3-176.763.5177.1-178.7130.33.2112.5V1527 Q1528V1527-R1596 WeakPolarHBondContact CA-O 3.47Å; Q1528-R1596 HydrophobicContact CB-CG 4.02Å; Q1528-R1596 PolarHBondContact N-O 2.96Å; Q1528-R1596 VanDerWaalsContact OE1-CZ 3.27Å
1597R89.7Confident87.3Confident133 Ų13358.1 Ų58.150%0.50227%0.269SS..EExtended strand (participates in β ladder)trans-85.2148.6170.8-172.9178-178.5-159.24.3110.5L1519 D1525L1519-R1597 HydrophobicContact CD1-CB 4.2Å; D1525-R1597 IonicContact OD1-CZ 3.09Å; D1525-R1597 VanDerWaalsContact OD1-CZ 3.27Å; D1525-R1597 IonicContact OD1-NE 3.85Å; D1525-R1597 PolarHBondContact OD1-NE 2.82Å; D1525-R1597 IonicContact OD1-NH2 3.96Å; D1525-R1597 PolarHBondContact OD1-NH2 3.22Å; D1525-R1597 IonicContact OD2-CZ 3.1Å; D1525-R1597 IonicContact OD2-NE 3.45Å; D1525-R1597 PolarHBondContact OD2-NE 3.3Å; D1525-R1597 IonicContact OD2-NH2 3.5Å
1598I88.8Confident86.7Confident14 Ų1457.1 Ų57.17%0.07226%0.264CS..  trans-141150179.5-163.2163.4000112.3C1526 L1538 I1600 Y1715C1526-I1598 HydrophobicContact CB-CG2 4.1Å; C1526-I1598 WeakPolarHBondContact CB-O 3.37Å; C1526-I1598 PolarHBondContact O-N 2.89Å; C1526-I1598 VanDerWaalsContact O-O 3.13Å; L1538-I1598 HydrophobicContact CD2-CG2 4.3Å; I1598-I1600 HydrophobicContact CG2-CD1 4.3Å; I1598-I1600 HydrophobicContact CG2-CG1 4.16Å; I1598-Y1715 HydrophobicContact CD1-CD2 3.72Å; I1598-Y1715 HydrophobicContact CD1-CE2 3.5Å
1599K87Confident85.9Confident86 Ų8658.8 Ų58.837%0.37427%0.271SS..  trans-95.8122.2173.5-70.5-178.5178.91750110.5S1710 N1711 Y1713K1599-S1710 WeakPolarHBondContact CD-O 3.42Å; K1599-S1710 WeakPolarHBondContact CE-O 3.34Å; K1599-S1710 PolarHBondContact NZ-O 2.85Å; K1599-N1711 PolarHBondContact NZ-OD1 3.24Å; K1599-N1711 VanDerWaalsContact NZ-OD1 3.13Å; K1599-Y1713 HydrophobicContact CB-CD1 3.93Å; K1599-Y1713 HydrophobicContact CB-CE1 4.07Å
1600I88.2Confident84.7Confident18 Ų1858 Ų589%0.09227%0.271CS..EExtended strand (participates in β ladder)trans-117130.1175.4-53.7-177.7000108C1526 Y1560 L1580 I1598 Y1715 I1717C1526-I1600 HydrophobicContact CB-CD1 3.74Å; C1526-I1600 HydrophobicContact CB-CG1 3.94Å; Y1560-I1600 HydrophobicContact CD2-CD1 3.79Å; Y1560-I1600 HydrophobicContact CE2-CD1 3.6Å; Y1560-I1600 HydrophobicContact CG-CD1 4.48Å; L1580-I1600 HydrophobicContact CD1-CD1 4.02Å; L1580-I1600 HydrophobicContact CD1-CG2 4.44Å; I1598-I1600 HydrophobicContact CG2-CD1 4.3Å; I1598-I1600 HydrophobicContact CG2-CG1 4.16Å; I1600-Y1715 WeakPolarHBondContact CA-O 3.34Å; I1600-I1717 HydrophobicContact CG2-CG1 4.2Å
1601A86.4Confident83.5Confident0 Ų059.7 Ų59.70%028%0.276CS..EExtended strand (participates in β ladder)trans-72.9143.7177.100000110.9S1603 Q1606 F1607 Y1713 Y1715 F1716 I1717A1601-S1603 VanDerWaalsContact C-N 3.31Å; A1601-S1603 PolarHBondContact O-N 2.79Å; A1601-Q1606 HydrophobicContact CB-CB 4.17Å; A1601-Q1606 HydrophobicContact CB-CG 4.14Å; A1601-F1607 HydrophobicContact CB-CB 3.88Å; A1601-Y1713 HydrophobicContact CB-CD1 3.87Å; A1601-Y1713 HydrophobicContact CB-CD2 4.15Å; A1601-Y1713 HydrophobicContact CB-CE1 4.39Å; A1601-Y1713 HydrophobicContact CB-CG 3.74Å; A1601-Y1713 VanDerWaalsContact N-CD1 3.34Å; A1601-Y1715 PolarHBondContact N-O 2.73Å; A1601-F1716 HydrophobicContact CB-CB 3.86Å; A1601-F1716 WeakPolarHBondContact O-CA 3.47Å; A1601-I1717 PolarHBondContact O-N 3.01Å
1602K85.6Confident82.1Confident168 Ų16866.9 Ų66.973%0.7330%0.304SS*.SBendtrans-77.2-18.1-176.5-66.2-177.8179.41790113.9Q1606K1602-Q1606 VanDerWaalsContact N-OE1 3.14Å
1603S86.2Confident80.6Confident39 Ų3967.4 Ų67.427%0.27331%0.308SS..SBendtrans-151.2165-178.358.80000110.1A1601 Q1606 F1607 D1732A1601-S1603 VanDerWaalsContact C-N 3.31Å; A1601-S1603 PolarHBondContact O-N 2.79Å; S1603-Q1606 PolarHBondContact O-N 3.44Å; S1603-F1607 PolarHBondContact O-N 3.38Å; S1603-D1732 VanDerWaalsContact CA-OD2 3.25Å; S1603-D1732 WeakPolarHBondContact CA-OD2 3.24Å; S1603-D1732 WeakPolarHBondContact CB-OD2 3.5Å
1604Y83.4Confident78.8Confident43 Ų4372.4 Ų72.417%0.16933%0.326CS..Hα-helixtrans-63.2-43.8177.4-177.8-108.9000112.7I1576 Q1606 F1607 I1608 F1716 D1732 E1734 L1735 I1738I1576-Y1604 HydrophobicContact CG2-CE2 3.9Å; Y1604-Q1606 VanDerWaalsContact C-N 3.28Å; Y1604-Q1606 PolarHBondContact O-N 3.39Å; Y1604-F1607 WeakPolarHBondContact O-CB 3.39Å; Y1604-F1607 PolarHBondContact O-N 3.14Å; Y1604-I1608 HydrophobicContact CD1-CG1 3.98Å; Y1604-I1608 HydrophobicContact CD2-CG1 4.27Å; Y1604-I1608 HydrophobicContact CE1-CD1 4.18Å; Y1604-I1608 HydrophobicContact CE1-CG1 3.58Å; Y1604-I1608 HydrophobicContact CE2-CD1 3.97Å; Y1604-I1608 HydrophobicContact CE2-CG1 3.9Å; Y1604-I1608 HydrophobicContact CG-CG1 4.32Å; Y1604-I1608 WeakPolarHBondContact O-CG1 3.34Å; Y1604-I1608 PolarHBondContact O-N 3.04Å; Y1604-F1716 HydrophobicContact CD2-CD1 4.37Å; Y1604-F1716 HydrophobicContact CD2-CD2 4.25Å; Y1604-F1716 AromaticContact CD2-CE1 3.94Å; Y1604-F1716 HydrophobicContact CD2-CE1 3.94Å; Y1604-F1716 AromaticContact CD2-CE2 3.89Å; Y1604-F1716 HydrophobicContact CD2-CE2 3.89Å; Y1604-F1716 AromaticContact CD2-CZ 3.68Å; Y1604-F1716 HydrophobicContact CD2-CZ 3.68Å; Y1604-F1716 HydrophobicContact CE2-CE1 4.25Å; Y1604-F1716 HydrophobicContact CE2-CZ 4.14Å; Y1604-D1732 PolarHBondContact N-OD2 3.48Å; Y1604-D1732 VanDerWaalsContact N-OD2 3.16Å; Y1604-E1734 HydrophobicContact CD1-CB 4.34Å; Y1604-L1735 HydrophobicContact CD1-CG 4.16Å; Y1604-L1735 HydrophobicContact CD2-CD1 3.88Å; Y1604-L1735 HydrophobicContact CD2-CD2 4.02Å; Y1604-L1735 HydrophobicContact CD2-CG 3.91Å; Y1604-L1735 HydrophobicContact CE2-CD2 4.15Å; Y1604-L1735 HydrophobicContact CG-CD1 3.92Å; Y1604-L1735 HydrophobicContact CG-CD2 4.19Å; Y1604-L1735 HydrophobicContact CG-CG 3.69Å; Y1604-I1738 HydrophobicContact CD1-CD1 4.01Å; Y1604-I1738 HydrophobicContact CE1-CD1 3.41Å; Y1604-I1738 VanDerWaalsContact CE1-CD1 3.41Å
1605G81.1Confident76.9Confident21 Ų2178.3 Ų78.322%0.21636%0.357CS..Hα-helixtrans-58.4-36.3177.700000114.1F1607 I1608 Q1609 E1734G1605-F1607 VanDerWaalsContact C-N 3.33Å; G1605-F1607 PolarHBondContact O-N 3.47Å; G1605-I1608 PolarHBondContact O-N 2.75Å; G1605-Q1609 WeakPolarHBondContact O-CB 3.39Å; G1605-Q1609 PolarHBondContact O-N 3.29Å; G1605-E1734 WeakPolarHBondContact CA-OE2 3.47Å; G1605-E1734 PolarHBondContact N-OE2 2.93Å
1606Q82.3Confident74.9Confident63 Ų6382.3 Ų82.329%0.29437%0.374SS..Hα-helixtrans-69-31.8176.7-177.8170.633.700112.5A1601 K1602 S1603 Y1604 G1610 Y1713A1601-Q1606 HydrophobicContact CB-CB 4.17Å; A1601-Q1606 HydrophobicContact CB-CG 4.14Å; K1602-Q1606 VanDerWaalsContact N-OE1 3.14Å; S1603-Q1606 PolarHBondContact O-N 3.44Å; Y1604-Q1606 VanDerWaalsContact C-N 3.28Å; Y1604-Q1606 PolarHBondContact O-N 3.39Å; Q1606-G1610 PolarHBondContact O-N 2.68Å; Q1606-Y1713 HydrophobicContact CG-CD2 4.31Å; Q1606-Y1713 HydrophobicContact CG-CE2 3.79Å; Q1606-Y1713 PolarHBondContact NE2-OH 2.8Å; Q1606-Y1713 VanDerWaalsContact NE2-OH 3.16Å
1607F83.2Confident72.6Confident8 Ų879.7 Ų79.74%0.03538%0.384CS..Hα-helixtrans-71.8-47.3174.2171.9-97000111.6K1577 A1601 S1603 Y1604 G1605 Q1609 G1610 Y1611 Y1713 F1716K1577-F1607 WeakPolarHBondContact O-CZ 3.32Å; A1601-F1607 HydrophobicContact CB-CB 3.88Å; S1603-F1607 PolarHBondContact O-N 3.38Å; Y1604-F1607 WeakPolarHBondContact O-CB 3.39Å; Y1604-F1607 PolarHBondContact O-N 3.14Å; G1605-F1607 VanDerWaalsContact C-N 3.33Å; G1605-F1607 PolarHBondContact O-N 3.47Å; F1607-Q1609 VanDerWaalsContact C-N 3.31Å; F1607-Q1609 PolarHBondContact O-N 3.22Å; F1607-G1610 WeakPolarHBondContact O-CA 3.34Å; F1607-G1610 PolarHBondContact O-N 3.16Å; F1607-Y1611 HydrophobicContact CD1-CD2 4.19Å; F1607-Y1611 HydrophobicContact CD1-CE2 4.27Å; F1607-Y1611 HydrophobicContact CD2-CD2 4.34Å; F1607-Y1611 HydrophobicContact CD2-CE2 4.01Å; F1607-Y1611 AromaticContact CE1-CD2 3.94Å; F1607-Y1611 HydrophobicContact CE1-CD2 3.94Å; F1607-Y1611 AromaticContact CE1-CE2 3.68Å; F1607-Y1611 HydrophobicContact CE1-CE2 3.68Å; F1607-Y1611 HydrophobicContact CE2-CD2 4.12Å; F1607-Y1611 AromaticContact CE2-CE2 3.38Å; F1607-Y1611 HydrophobicContact CE2-CE2 3.38Å; F1607-Y1611 HydrophobicContact CG-CD2 4.39Å; F1607-Y1611 HydrophobicContact CG-CE2 4.43Å; F1607-Y1611 AromaticContact CZ-CD2 3.92Å; F1607-Y1611 HydrophobicContact CZ-CD2 3.92Å; F1607-Y1611 AromaticContact CZ-CE2 3.19Å; F1607-Y1611 HydrophobicContact CZ-CE2 3.19Å; F1607-Y1611 AromaticContact CZ-CZ 3.69Å; F1607-Y1611 PolarHBondContact O-N 3.4Å; F1607-Y1713 WeakPolarHBondContact CD2-O 3.25Å; F1607-Y1713 VanDerWaalsContact CE2-O 3.31Å; F1607-Y1713 WeakPolarHBondContact CE2-O 3.45Å; F1607-F1716 HydrophobicContact CB-CB 3.69Å; F1607-F1716 HydrophobicContact CB-CD1 4.03Å; F1607-F1716 HydrophobicContact CB-CG 4.11Å; F1607-F1716 AromaticContact CD1-CD1 3.53Å; F1607-F1716 HydrophobicContact CD1-CD1 3.53Å; F1607-F1716 AromaticContact CD1-CE1 3.96Å; F1607-F1716 HydrophobicContact CD1-CE1 3.96Å; F1607-F1716 HydrophobicContact CD1-CG 4.39Å; F1607-F1716 HydrophobicContact CD2-CB 4.08Å; F1607-F1716 AromaticContact CD2-CD1 3.69Å; F1607-F1716 HydrophobicContact CD2-CD1 3.69Å; F1607-F1716 HydrophobicContact CD2-CG 4.35Å; F1607-F1716 AromaticContact CE1-CD1 3.73Å; F1607-F1716 HydrophobicContact CE1-CD1 3.73Å; F1607-F1716 AromaticContact CE1-CE1 3.85Å; F1607-F1716 HydrophobicContact CE1-CE1 3.85Å; F1607-F1716 AromaticContact CE2-CD1 3.86Å; F1607-F1716 HydrophobicContact CE2-CD1 3.86Å; F1607-F1716 HydrophobicContact CG-CB 3.99Å; F1607-F1716 AromaticContact CG-CD1 3.5Å; F1607-F1716 HydrophobicContact CG-CD1 3.5Å; F1607-F1716 VanDerWaalsContact CG-CD1 3.5Å; F1607-F1716 HydrophobicContact CG-CE1 4.38Å; F1607-F1716 HydrophobicContact CG-CG 4.08Å; F1607-F1716 AromaticContact CZ-CD1 3.87Å; F1607-F1716 HydrophobicContact CZ-CD1 3.87Å; F1607-F1716 HydrophobicContact CZ-CE1 4.15Å
1608I79.1Confident70.2Confident44 Ų4481.7 Ų81.723%0.22640%0.396CS..Hα-helixtrans-62.3-37.6177.9-68.4-61000112.1Y1604 G1605 G1610 Y1611 Y1612Y1604-I1608 HydrophobicContact CD1-CG1 3.98Å; Y1604-I1608 HydrophobicContact CD2-CG1 4.27Å; Y1604-I1608 HydrophobicContact CE1-CD1 4.18Å; Y1604-I1608 HydrophobicContact CE1-CG1 3.58Å; Y1604-I1608 HydrophobicContact CE2-CD1 3.97Å; Y1604-I1608 HydrophobicContact CE2-CG1 3.9Å; Y1604-I1608 HydrophobicContact CG-CG1 4.32Å; Y1604-I1608 WeakPolarHBondContact O-CG1 3.34Å; Y1604-I1608 PolarHBondContact O-N 3.04Å; G1605-I1608 PolarHBondContact O-N 2.75Å; I1608-G1610 VanDerWaalsContact C-N 3.3Å; I1608-G1610 PolarHBondContact O-N 3.11Å; I1608-Y1611 PolarHBondContact O-N 3.1Å; I1608-Y1611 VanDerWaalsContact O-N 3.17Å; I1608-Y1612 HydrophobicContact CG2-CD2 3.52Å; I1608-Y1612 HydrophobicContact CG2-CE2 3.32Å; I1608-Y1612 WeakPolarHBondContact O-CD2 3.29Å; I1608-Y1612 PolarHBondContact O-N 2.76Å
1609Q73.8Confident67.5Low134 Ų13488.3 Ų88.363%0.62643%0.432SS*.Hα-helixtrans-58.1-41.9171.8-172.6173.910.300111.9G1605 F1607 E1613G1605-Q1609 WeakPolarHBondContact O-CB 3.39Å; G1605-Q1609 PolarHBondContact O-N 3.29Å; F1607-Q1609 VanDerWaalsContact C-N 3.31Å; F1607-Q1609 PolarHBondContact O-N 3.22Å; Q1609-E1613 WeakPolarHBondContact O-CG 3.47Å; Q1609-E1613 PolarHBondContact O-N 2.74Å
1610G64.5Low65Low17 Ų1789.9 Ų89.918%0.17545%0.451CS..Hα-helixtrans-68.4-29.4175.900000114.3Q1606 F1607 I1608Q1606-G1610 PolarHBondContact O-N 2.68Å; F1607-G1610 WeakPolarHBondContact O-CA 3.34Å; F1607-G1610 PolarHBondContact O-N 3.16Å; I1608-G1610 VanDerWaalsContact C-N 3.3Å; I1608-G1610 PolarHBondContact O-N 3.11Å
1611Y65Low62.4Low87 Ų8797.2 Ų97.234%0.34149%0.49SS..Hα-helixtrans-73.9-42.2175.8-94.9-105.3000112.9F1607 I1608 E1613 K1614 F1712F1607-Y1611 HydrophobicContact CD1-CD2 4.19Å; F1607-Y1611 HydrophobicContact CD1-CE2 4.27Å; F1607-Y1611 HydrophobicContact CD2-CD2 4.34Å; F1607-Y1611 HydrophobicContact CD2-CE2 4.01Å; F1607-Y1611 AromaticContact CE1-CD2 3.94Å; F1607-Y1611 HydrophobicContact CE1-CD2 3.94Å; F1607-Y1611 AromaticContact CE1-CE2 3.68Å; F1607-Y1611 HydrophobicContact CE1-CE2 3.68Å; F1607-Y1611 HydrophobicContact CE2-CD2 4.12Å; F1607-Y1611 AromaticContact CE2-CE2 3.38Å; F1607-Y1611 HydrophobicContact CE2-CE2 3.38Å; F1607-Y1611 HydrophobicContact CG-CD2 4.39Å; F1607-Y1611 HydrophobicContact CG-CE2 4.43Å; F1607-Y1611 AromaticContact CZ-CD2 3.92Å; F1607-Y1611 HydrophobicContact CZ-CD2 3.92Å; F1607-Y1611 AromaticContact CZ-CE2 3.19Å; F1607-Y1611 HydrophobicContact CZ-CE2 3.19Å; F1607-Y1611 AromaticContact CZ-CZ 3.69Å; F1607-Y1611 PolarHBondContact O-N 3.4Å; I1608-Y1611 PolarHBondContact O-N 3.1Å; I1608-Y1611 VanDerWaalsContact O-N 3.17Å; Y1611-E1613 PolarHBondContact O-N 2.8Å; Y1611-K1614 WeakPolarHBondContact O-CB 3.38Å; Y1611-K1614 PolarHBondContact O-N 2.8Å; Y1611-K1614 VanDerWaalsContact O-N 3.17Å; Y1611-F1712 HydrophobicContact CD1-CE2 4.45Å; Y1611-F1712 HydrophobicContact CD1-CZ 4.49Å; Y1611-F1712 AromaticContact CD2-CE2 3.58Å; Y1611-F1712 HydrophobicContact CD2-CE2 3.58Å; Y1611-F1712 AromaticContact CD2-CZ 3.82Å; Y1611-F1712 HydrophobicContact CD2-CZ 3.82Å; Y1611-F1712 HydrophobicContact CE1-CE2 4.48Å; Y1611-F1712 HydrophobicContact CE1-CZ 4.08Å; Y1611-F1712 HydrophobicContact CE2-CE1 4.3Å; Y1611-F1712 AromaticContact CE2-CE2 3.58Å; Y1611-F1712 HydrophobicContact CE2-CE2 3.58Å; Y1611-F1712 AromaticContact CE2-CZ 3.29Å; Y1611-F1712 HydrophobicContact CE2-CZ 3.29Å; Y1611-F1712 HydrophobicContact CG-CE2 4.04Å; Y1611-F1712 HydrophobicContact CG-CZ 4.39Å; Y1611-F1712 AromaticContact CZ-CZ 3.47Å; Y1611-F1712 VanDerWaalsContact CZ-CZ 3.47Å
1612Y57.2Low59.5Low154 Ų154106.2 Ų106.260%0.60453%0.532SS*.Hα-helixtrans-72-27.6-177.7-77.7-59.3000114I1608 K1614 L1615 K1616I1608-Y1612 HydrophobicContact CG2-CD2 3.52Å; I1608-Y1612 HydrophobicContact CG2-CE2 3.32Å; I1608-Y1612 WeakPolarHBondContact O-CD2 3.29Å; I1608-Y1612 PolarHBondContact O-N 2.76Å; Y1612-K1614 PolarHBondContact O-N 2.87Å; Y1612-L1615 HydrophobicContact CD1-CD1 4.21Å; Y1612-L1615 HydrophobicContact CE1-CD1 4.45Å; Y1612-L1615 PolarHBondContact O-N 3.06Å; Y1612-K1616 PolarHBondContact O-N 3.37Å
1613E55.5Low56.8Low136 Ų136103.3 Ų103.364%0.63653%0.533SS*.Hα-helixtrans-56.9-38.2168.8-70.5-76.4137.400111.2Q1609 Y1611 L1615 K1616Q1609-E1613 WeakPolarHBondContact O-CG 3.47Å; Q1609-E1613 PolarHBondContact O-N 2.74Å; Y1611-E1613 PolarHBondContact O-N 2.8Å; E1613-L1615 VanDerWaalsContact C-N 3.3Å; E1613-L1615 PolarHBondContact O-N 3.23Å; E1613-K1616 PolarHBondContact O-N 3.39Å
1614K50.2Low53.9Low137 Ų137108.3 Ų108.360%0.59656%0.556SS**Hα-helixtrans-67.6-25.6179.9-164.3168.9-174.6169.90113.7Y1611 Y1612Y1611-K1614 WeakPolarHBondContact O-CB 3.38Å; Y1611-K1614 PolarHBondContact O-N 2.8Å; Y1611-K1614 VanDerWaalsContact O-N 3.17Å; Y1612-K1614 PolarHBondContact O-N 2.87Å
1615L52.2Low51Low126 Ų126116 Ų11666%0.6659%0.593SS**Hα-helixtrans-82.4-23.4176.9-81.2170.5000113.5Y1612 E1613 G1617Y1612-L1615 HydrophobicContact CD1-CD1 4.21Å; Y1612-L1615 HydrophobicContact CE1-CD1 4.45Å; Y1612-L1615 PolarHBondContact O-N 3.06Å; E1613-L1615 VanDerWaalsContact C-N 3.3Å; E1613-L1615 PolarHBondContact O-N 3.23Å; L1615-G1617 VanDerWaalsContact C-N 3.32Å
1616K45.5Very low48.4Very low182 Ų182121.1 Ų121.179%0.79162%0.621SS**Hα-helixtrans-79.8-11.1177.4-74.5-169.8174-174.80114.3Y1612 E1613Y1612-K1616 PolarHBondContact O-N 3.37Å; E1613-K1616 PolarHBondContact O-N 3.39Å
1617G39.7Very low45.5Very low64 Ų64127.5 Ų127.566%0.6665%0.651SS**THydrogen-bonded Turntrans-9322.4179.900000115.4L1615L1615-G1617 VanDerWaalsContact C-N 3.32Å
1618K38.9Very low42.8Very low174 Ų174132.8 Ų132.876%0.75769%0.689SS**SBendtrans-115.6102.9171.9-72.2-166173.9-166.60109.2
1619D33.4Very low40.2Very low153 Ų153136.7 Ų136.782%0.81871%0.71SS**  trans-66.1134.2-177.6-64.8-48.4000111.9
1620P34.6Very low37.9Very low119 Ų119138 Ų13877%0.77371%0.714SS**  trans-73.8136.8171.6-14.530.2000111.6E1622P1620-E1622 PolarHBondContact O-N 2.76Å
1621L32.2Very low36.2Very low173 Ų173145.4 Ų145.491%0.90675%0.749SS**  trans-64.7112.4175.7-76.9154000111.6
1622E25.5Very low34.1Very low189 Ų189149.5 Ų149.588%0.88377%0.774SS**  trans-72.5122.5161.7-76.7-175.312400110P1620P1620-E1622 PolarHBondContact O-N 2.76Å
1623S28.7Very low32.7Very low107 Ų107145.8 Ų145.875%0.74878%0.782SS**  trans-131.378.7169.368.50000111.5
1624N25.3Very low31Very low143 Ų143147.6 Ų147.677%0.76579%0.791SS**  trans40.399.7143.6-58.5-30.3000118.3T1626N1624-T1626 PolarHBondContact O-N 3.3Å
1625Q23.3Very low29.7Very low204 Ų204149.1 Ų149.195%0.95380%0.804SS**  trans-73.199158-72.9176.1-13.600110.2
1626T25.4Very low28.3Very low130 Ų130148.7 Ų148.780%0.79881%0.807SS**  trans-83.7112.8163.534.70000110.7N1624N1624-T1626 PolarHBondContact O-N 3.3Å
1627Q21.7Very low27.3Very low197 Ų197145.8 Ų145.892%0.92181%0.807SS**  trans-69.6120.8178.7-165.1168.91700110.4
1628S28.2Very low26.5Very low118 Ų118150.1 Ų150.183%0.82582%0.815SS**  trans-132.9143.1172.259.70000111.5
1629D23.5Very low25.7Very low127 Ų127151.3 Ų151.368%0.67982%0.82SS**  trans-89.7145.2-160.1-101.2-42.3000114.6
1630K26.4Very low25.3Very low162 Ų162151.3 Ų151.370%0.70482%0.82SS**  trans41.7111.4139.2-55.8171.9-172.484.60118.2
1631N27.4Very low24.8Very low172 Ų172151.5 Ų151.592%0.9282%0.819SS**  -147.9129.6125.6-116.5-34.5000111.9
1632M22.5Very low24.4Very low173 Ų173151.4 Ų151.485%0.85281%0.814SS**  trans-90.7126.5180-80.6-87.9-73.200109.9
1633G25.9Very low24.2Very low76 Ų76150.8 Ų150.878%0.78481%0.811SS**  trans-12989.2172.600000110.2
1634E21.1Very low24Very low174 Ų174152.5 Ų152.581%0.81381%0.81SS**  trans-79118.9-177.5-173.7176.4176.100110.8
1635L23.2Very low23.8Very low168 Ų168152.4 Ų152.488%0.8881%0.81SS**  trans-127.7133.7171.9-86.2168.3000110.6
1636T22.4Very low23.8Very low118 Ų118150 Ų15072%0.72480%0.803SS**PPolyproline II helixtrans-77.9141.7-161490000114.5
1637P23.8Very low23.6Very low121 Ų121152.3 Ų152.379%0.78681%0.805SS**PPolyproline II helixtrans-89.2130.5179.333.2-32.1000113.3
1638N22.7Very low23.7Very low154 Ų154150 Ų15082%0.82480%0.797SS**PPolyproline II helixtrans-77.5143.4172.7-73.4-25.5000111.8
1639K22.1Very low23.4Very low199 Ų199154.7 Ų154.787%0.86580%0.797SS**  trans-105.5119.4171.2-70174.7176.9174.20108.5
1640D25.9Very low23.3Very low153 Ų153157.6 Ų157.682%0.81881%0.806SS**  trans-127.6125.9163.8-82.8-53.4000112.4
1641T23.5Very low23.1Very low123 Ų123155.8 Ų155.876%0.75581%0.814SS**  trans-53.3135.8173.1-22.20000113.4
1642E24.7Very low22.8Very low171 Ų171155.4 Ų155.480%0.79981%0.811SS**  173.4135.1106.4-95.6177.3-171.700113.3
1643Q21.4Very low22.7Very low177 Ų177153.9 Ų153.983%0.82781%0.812SS**  trans-97.5127.7169.9-73.6177.6-34.800109.3
1644I22.9Very low22.4Very low142 Ų142156.3 Ų156.373%0.72882%0.816SS**  trans-119.6101.3163.9-61.7179.8000108.3L1646I1644-L1646 HydrophobicContact CG2-CD1 4.47Å
1645N21.2Very low22.5Very low141 Ų141153 Ų15375%0.75481%0.813SS**  trans-80131.3168.1-80.6-43.6000109.6
1646L24.1Very low22.3Very low155 Ų155150.8 Ų150.881%0.81281%0.811SS**  trans-133.286.7166.1-97.3161.1000108.8I1644I1644-L1646 HydrophobicContact CG2-CD1 4.47Å
1647E21.5Very low22.4Very low178 Ų178153.1 Ų153.183%0.83282%0.819SS**  trans-67143.7163-61.6177.2122.300109.8
1648I22.8Very low22.2Very low147 Ų147151.5 Ų151.575%0.75482%0.815SS**  trans-165.3121145.1-104.4149.8000112.1
1649R23.2Very low22Very low217 Ų217150 Ų15082%0.81982%0.816SS**  trans60.1101.4149.1-63.8179175.5162.8-0.4121.3
1650E20.6Very low22Very low188 Ų188146.3 Ų146.388%0.87981%0.811SS**  12.5126.6112.9-56.8-179.2141.500118.6
1651S22.9Very low21.6Very low125 Ų125145 Ų14587%0.87481%0.814SS**  -161.7144.5122.841.10000112.1
1652L20.3Very low21.7Very low164 Ų164147.2 Ų147.286%0.85982%0.815SS**  trans-82.1148-179.4-62.7151.7000110.4
1653T21.4Very low21.4Very low141 Ų141142.7 Ų142.787%0.86580%0.802SS**  173.1136.2113.331.10000112
1654S19.9Very low21.5Very low126 Ų126141.4 Ų141.488%0.88180%0.8SS**  trans-94123.1169.546.10000110.4
1655S22.8Very low21.4Very low105 Ų105143.9 Ų143.973%0.73481%0.805SS**  trans-146.9104.8163.855.60000111.6L1657S1655-L1657 PolarHBondContact O-N 2.95Å
1656S19.3Very low21.4Very low122 Ų122145 Ų14585%0.85380%0.8SS**  trans-72.2109.5166.6151.10000109.1
1657L22.5Very low21.5Very low167 Ų167143.4 Ų143.487%0.87480%0.799SS**  trans-135.1143.5161.2-78.5177.4000110.5S1655S1655-L1657 PolarHBondContact O-N 2.95Å
1658A20Very low21.4Very low86 Ų86139.6 Ų139.671%0.71179%0.792SS**  trans-83.7144.8-169.200000113.4
1659S20Very low21.6Very low122 Ų122139.5 Ų139.585%0.85380%0.798SS**  trans41.983.2138.5-53.80000118.3
1660T20.2Very low21.7Very low122 Ų122136 Ų13675%0.74880%0.796SS**  trans-118.8111.4150.134.40000110.4H1662T1660-H1662 PolarHBondContact O-N 3.34Å
1661S19.5Very low21.7Very low125 Ų125135.2 Ų135.287%0.87479%0.792SS**  trans-73.9104173.950.70000110.4
1662H23.5Very low21.9Very low170 Ų170135.8 Ų135.879%0.78779%0.785SS**  trans-104.1127165.7-84.3-65.4000111T1660T1660-H1662 PolarHBondContact O-N 3.34Å
1663S19.9Very low22.2Very low76 Ų76135.4 Ų135.453%0.53178%0.784SS.*  trans-94.4123.7176.1173.40000109.9L46L46-S1663 WeakPolarHBondContact CD1-OG 3.46Å
1664I23.1Very low22.3Very low150 Ų150134.9 Ų134.977%0.76978%0.781SS**  trans-137.8112.9171.1-61.3-175.3000111.1
1665K21.4Very low22.8Very low194 Ų194136.4 Ų136.484%0.84378%0.779SS**  trans23.8127.6148.1-69-178.8172.4-179.60121.5
1666Y21.5Very low22.9Very low165 Ų165140.3 Ų140.365%0.64779%0.786SS**  trans-71.2151.2152.3-67.2-95.5000113L47L47-Y1666 HydrophobicContact CD1-CE2 4.17Å; L47-Y1666 WeakPolarHBondContact CD2-OH 3.08Å; L47-Y1666 WeakPolarHBondContact CG-OH 3.31Å
1667P24.4Very low23.3Very low122 Ų122140.1 Ų140.179%0.79278%0.781SS**  trans-104.8133.4159.933.1-23000113.5
1668S20.9Very low23.5Very low98 Ų98137.5 Ų137.569%0.68577%0.774SS**  trans-7134.5162.3-147.60000120.9
1669V25.5Very low23.5Very low144 Ų144143 Ų14387%0.87378%0.782SS**  trans-117.1135.7145.8174.60000107.2
1670N25.6Very low23.7Very low145 Ų145144.1 Ų144.178%0.77578%0.778SS**  trans-79.6161.4-171.7-81.7-7.1000114.1
1671E22.1Very low23.7Very low170 Ų170146.6 Ų146.679%0.79478%0.781SS**  trans-78.6175.7-173.6-54.7172.5133.300114.1
1672N26.5Very low24Very low138 Ų138148 Ų14874%0.73878%0.777SS**  trans83.694.1163.4-49-42.4000117
1673D25.8Very low24Very low155 Ų155144.5 Ų144.583%0.82977%0.768SS**  -157.7128.991.9-105.7-23.5000113.1
1674T24.9Very low24.2Very low131 Ų131145.7 Ų145.780%0.80477%0.774SS**  trans-81117.8169.3340000110.8
1675N29.4Very low24.2Very low158 Ų158146.2 Ų146.285%0.84578%0.778SS**  trans-151121.7151.4-89.4-53.9000109.8
1676Q25.7Very low24.3Very low186 Ų186142 Ų14287%0.86977%0.765SS**PPolyproline II helixtrans-73.4147175.2-82-170.11.600111.1
1677P27.6Very low24.6Very low118 Ų118141.7 Ų141.777%0.76677%0.774SS**PPolyproline II helixtrans-70.5140.2-175.828.6-35.2000112.2K1679P1677-K1679 PolarHBondContact O-N 3.48Å
1678P25.9Very low24.7Very low112 Ų112142.3 Ų142.373%0.72777%0.771SS**PPolyproline II helixtrans-74.9126.8-177.829.3-34000112.2L1680P1678-L1680 PolarHBondContact O-N 3.01Å; P1678-L1680 VanDerWaalsContact O-N 3.13Å
1679K21.3Very low25.1Very low201 Ų201145.5 Ų145.587%0.87478%0.78SS**  trans-7199.4161.8-91.4-177.6172.91770109.5P1677 Q1681P1677-K1679 PolarHBondContact O-N 3.48Å; K1679-Q1681 PolarHBondContact O-N 3.42Å
1680L23.2Very low25.1Very low146 Ų146145.8 Ų145.876%0.76478%0.777SS**  trans-85.1100163.7-76.8167.9000109.5P1678P1678-L1680 PolarHBondContact O-N 3.01Å; P1678-L1680 VanDerWaalsContact O-N 3.13Å
1681Q21.1Very low25.3Very low175 Ų175146.3 Ų146.382%0.81878%0.78SS**  trans-83.1113.4159.3-73.4-178.8-18.400107.9K1679K1679-Q1681 PolarHBondContact O-N 3.42Å
1682I25.5Very low25.3Very low153 Ų153147.6 Ų147.679%0.78579%0.786SS**  trans-109.3111.3164.3-62.1178.2000105.9
1683T23.6Very low25.4Very low97 Ų97148.3 Ų148.360%0.59579%0.788SS**PPolyproline II helixtrans-76.8147.1179.522.60000111.5L1403L1403-T1683 HydrophobicContact CD1-CG2 4Å
1684P23.6Very low25.3Very low101 Ų101145.3 Ų145.366%0.65678%0.779SS**PPolyproline II helixtrans-76.1140178.88.56.4000110.8
1685N23.3Very low25.4Very low162 Ų162143.5 Ų143.587%0.86677%0.772SS**PPolyproline II helixtrans-90.7116.5172.2-116.73.9000109
1686N22.5Very low25.4Very low105 Ų105142.1 Ų142.156%0.56177%0.765SS**PPolyproline II helixtrans-73134161.2-84.610.7000108.9
1687N27.9Very low25.6Very low158 Ų158140.1 Ų140.185%0.84576%0.76SS**  trans-145.6110.5153.2-106.2-12.4000107
1688D26.5Very low25.7Very low135 Ų135140.8 Ų140.872%0.72276%0.757SS**  trans-67.6134.4176.9-53.1-67.4000110
1689N29.7Very low25.9Very low165 Ų165143.8 Ų143.888%0.88276%0.762SS**  trans-147.2112.1154.6-97.6-35000108.1
1690N25.3Very low26.3Very low150 Ų150143 Ų14380%0.80276%0.761SS**  trans-67131.9178.7-53.6-51.9000109.8
1691N29.8Very low26.9Very low157 Ų157143.1 Ų143.184%0.8476%0.762SS**  trans-146.8110.4151.3-96.5-23000107.6I1693N1691-I1693 PolarHBondContact O-N 3.46Å
1692E23Very low27.4Very low197 Ų197141.5 Ų141.592%0.92176%0.759SS**  trans-69.2109.6168-64.6170.8127.900108.4
1693I27.5Very low27.7Very low152 Ų152142 Ų14278%0.77976%0.763SS**  trans-132.1137.4156.8-61-175.7000107.2N1691N1691-I1693 PolarHBondContact O-N 3.46Å
1694S24.8Very low28.4Very low92 Ų92142.3 Ų142.364%0.64377%0.765SS**  trans-54.2134.7-170.841.60000114.6D1696S1694-D1696 PolarHBondContact O-N 2.66Å; S1694-D1696 VanDerWaalsContact O-N 3.16Å
1695S25.5Very low28.9Very low94 Ų94144.5 Ų144.566%0.65777%0.771SS**  trans-70.592.6159.450.70000110D1697S1695-D1697 VanDerWaalsContact C-N 3.27Å; S1695-D1697 PolarHBondContact O-N 3.39Å
1696D29.3Very low29.5Very low129 Ų129142.3 Ų142.369%0.6976%0.76SS**  trans-82.577158-86.4-37.4000108.3S1694 N1698S1694-D1696 PolarHBondContact O-N 2.66Å; S1694-D1696 VanDerWaalsContact O-N 3.16Å; D1696-N1698 PolarHBondContact O-N 3Å
1697D30.8Very low30.3Very low144 Ų144143.7 Ų143.777%0.7777%0.767SS**  trans-75.369.4172.5-66.9-32.4000109.8S1695 E1699S1695-D1697 VanDerWaalsContact C-N 3.27Å; S1695-D1697 PolarHBondContact O-N 3.39Å; D1697-E1699 PolarHBondContact O-N 3.32Å
1698N28.6Very low30.8Very low131 Ų131143.7 Ų143.770%0.70177%0.767SS**  trans-90.772.6165.2-65.6-65.8000108.9D1696D1696-N1698 PolarHBondContact O-N 3Å
1699E31.8Very low31.4Very low176 Ų176142.7 Ų142.782%0.82276%0.762SS**  trans-86.7110161.9-75.3-164.215000109.1D1697 D1701D1697-E1699 PolarHBondContact O-N 3.32Å; E1699-D1701 VanDerWaalsContact C-N 3.33Å; E1699-D1701 PolarHBondContact O-N 3.13Å
1700E29.7Very low32.4Very low185 Ų185138.1 Ų138.186%0.86474%0.743SS**  trans-73.877.5-179.7-60.7174.1136.500110.6D1702E1700-D1702 VanDerWaalsContact C-N 3.29Å; E1700-D1702 PolarHBondContact O-N 3.46Å
1701D34.7Very low33.7Very low147 Ų147136.9 Ų136.979%0.78674%0.736SS**  trans-74.675.8177.1-99.5-20.6000112.1E1699 D1703E1699-D1701 VanDerWaalsContact C-N 3.33Å; E1699-D1701 PolarHBondContact O-N 3.13Å; D1701-D1703 PolarHBondContact O-N 3.31Å
1702D32.9Very low35.5Very low142 Ų142131.2 Ų131.276%0.75970%0.704SS**  trans20.468.7155.3-77.7-37.8000117.8E1700 V1704E1700-D1702 VanDerWaalsContact C-N 3.29Å; E1700-D1702 PolarHBondContact O-N 3.46Å; D1702-V1704 HydrophobicContact CB-CG2 4.25Å; D1702-V1704 PolarHBondContact O-N 2.92Å
1703D31.9Very low38Very low162 Ų162124.4 Ų124.487%0.86667%0.67SS**  trans-72.156.4159.9-91.3-30.8000110.5D1701 D1705D1701-D1703 PolarHBondContact O-N 3.31Å; D1703-D1705 PolarHBondContact O-N 2.92Å
1704V36.5Very low40.4Very low104 Ų104122 Ų12263%0.6366%0.656SS**  trans-83.197.9172.9-176.20000108.5D1702 D1706D1702-V1704 HydrophobicContact CB-CG2 4.25Å; D1702-V1704 PolarHBondContact O-N 2.92Å; V1704-D1706 PolarHBondContact O-N 3.48Å
1705D34.7Very low43.4Very low148 Ų148121 Ų12179%0.79164%0.638SS**  trans-60.869.4171.8-82-42.6000112.5D1703 D1707D1703-D1705 PolarHBondContact O-N 2.92Å; D1705-D1707 PolarHBondContact O-N 3.33Å
1706D37.2Very low46.5Very low116 Ų116116.5 Ų116.562%0.6261%0.607SS**  trans-79.643.5-178.8-15921.1000112.6V1704 N1708V1704-D1706 PolarHBondContact O-N 3.48Å; D1706-N1708 PolarHBondContact O-N 3.49Å
1707D39.3Very low49.4Very low133 Ų133112 Ų11271%0.71158%0.582SS**G310 helixtrans-72.3-7176-123.4-2.8000112D1705 N1709D1705-D1707 PolarHBondContact O-N 3.33Å; D1707-N1709 PolarHBondContact O-N 2.81Å
1708N36.4Very low52.1Low159 Ų159105.1 Ų105.185%0.8555%0.545SS*.G310 helixtrans-83.41.4-175.3-83-45.5000115.9D1706D1706-N1708 PolarHBondContact O-N 3.49Å
1709N39.2Very low54.9Low113 Ų11399.2 Ų99.260%0.60452%0.516SS*.G310 helixtrans-13737170.6-152.1-8000114.5D1707 N1711D1707-N1709 PolarHBondContact O-N 2.81Å; N1709-N1711 PolarHBondContact O-N 3.19Å
1710S50.8Low57.6Low70 Ų7093.9 Ų93.949%0.4949%0.49SS..THydrogen-bonded Turntrans-66.619.5-171.2-163.40000116.5K1599K1599-S1710 WeakPolarHBondContact CD-O 3.42Å; K1599-S1710 WeakPolarHBondContact CE-O 3.34Å; K1599-S1710 PolarHBondContact NZ-O 2.85Å
1711N52.5Low60.5Low123 Ų12385.5 Ų85.566%0.65845%0.45SS*.THydrogen-bonded Turntrans-931.8171.3-14331.5000114.4K1599 N1709K1599-N1711 PolarHBondContact NZ-OD1 3.24Å; K1599-N1711 VanDerWaalsContact NZ-OD1 3.13Å; N1709-N1711 PolarHBondContact O-N 3.19Å
1712F67.8Low62.9Low39 Ų3980.1 Ų80.117%0.17142%0.422CS..  trans-82.3137.6179-178.4-108.8000113.2Y1611 H1714Y1611-F1712 HydrophobicContact CD1-CE2 4.45Å; Y1611-F1712 HydrophobicContact CD1-CZ 4.49Å; Y1611-F1712 AromaticContact CD2-CE2 3.58Å; Y1611-F1712 HydrophobicContact CD2-CE2 3.58Å; Y1611-F1712 AromaticContact CD2-CZ 3.82Å; Y1611-F1712 HydrophobicContact CD2-CZ 3.82Å; Y1611-F1712 HydrophobicContact CE1-CE2 4.48Å; Y1611-F1712 HydrophobicContact CE1-CZ 4.08Å; Y1611-F1712 HydrophobicContact CE2-CE1 4.3Å; Y1611-F1712 AromaticContact CE2-CE2 3.58Å; Y1611-F1712 HydrophobicContact CE2-CE2 3.58Å; Y1611-F1712 AromaticContact CE2-CZ 3.29Å; Y1611-F1712 HydrophobicContact CE2-CZ 3.29Å; Y1611-F1712 HydrophobicContact CG-CE2 4.04Å; Y1611-F1712 HydrophobicContact CG-CZ 4.39Å; Y1611-F1712 AromaticContact CZ-CZ 3.47Å; Y1611-F1712 VanDerWaalsContact CZ-CZ 3.47Å; F1712-H1714 AromaticContact CD1-CE1 3.66Å; F1712-H1714 AromaticContact CD1-ND1 3.84Å; F1712-H1714 AromaticContact CD1-NE2 3.85Å
1713Y77Confident65.1Low53 Ų5375.1 Ų75.121%0.20840%0.397CS..  trans-92.9115175.9-67.7-73.9000110.6K1599 A1601 Q1606 F1607K1599-Y1713 HydrophobicContact CB-CD1 3.93Å; K1599-Y1713 HydrophobicContact CB-CE1 4.07Å; A1601-Y1713 HydrophobicContact CB-CD1 3.87Å; A1601-Y1713 HydrophobicContact CB-CD2 4.15Å; A1601-Y1713 HydrophobicContact CB-CE1 4.39Å; A1601-Y1713 HydrophobicContact CB-CG 3.74Å; A1601-Y1713 VanDerWaalsContact N-CD1 3.34Å; Q1606-Y1713 HydrophobicContact CG-CD2 4.31Å; Q1606-Y1713 HydrophobicContact CG-CE2 3.79Å; Q1606-Y1713 PolarHBondContact NE2-OH 2.8Å; Q1606-Y1713 VanDerWaalsContact NE2-OH 3.16Å; F1607-Y1713 WeakPolarHBondContact CD2-O 3.25Å; F1607-Y1713 VanDerWaalsContact CE2-O 3.31Å; F1607-Y1713 WeakPolarHBondContact CE2-O 3.45Å
1714H77.6Confident67.5Low102 Ų10274 Ų7447%0.47240%0.396SS..SBendtrans-80.9-21.2178.1-71.583.2000113.5F1712F1712-H1714 AromaticContact CD1-CE1 3.66Å; F1712-H1714 AromaticContact CD1-ND1 3.84Å; F1712-H1714 AromaticContact CD1-NE2 3.85Å
1715Y87.7Confident69.6Low71 Ų7177.4 Ų77.428%0.27840%0.397SS..EExtended strand (participates in β ladder)trans-141.9161.1-177.1-59.6-87.5000110.9L1538 G1578 L1580 I1598 I1600 A1601L1538-Y1715 HydrophobicContact CD1-CD1 4.12Å; L1538-Y1715 HydrophobicContact CD1-CD2 4.18Å; L1538-Y1715 HydrophobicContact CD1-CE1 3.95Å; L1538-Y1715 HydrophobicContact CD1-CE2 4.01Å; L1538-Y1715 HydrophobicContact CD1-CG 4.24Å; G1578-Y1715 CarbonylContact O-C 3.54Å; G1578-Y1715 VanDerWaalsContact O-CA 3.25Å; G1578-Y1715 WeakPolarHBondContact O-CA 3.37Å; L1580-Y1715 HydrophobicContact CD1-CD1 3.82Å; L1580-Y1715 HydrophobicContact CD1-CG 3.84Å; L1580-Y1715 HydrophobicContact CD2-CD1 4.25Å; L1580-Y1715 HydrophobicContact CG-CD1 3.97Å; L1580-Y1715 HydrophobicContact CG-CG 4.41Å; I1598-Y1715 HydrophobicContact CD1-CD2 3.72Å; I1598-Y1715 HydrophobicContact CD1-CE2 3.5Å; I1600-Y1715 WeakPolarHBondContact CA-O 3.34Å; A1601-Y1715 PolarHBondContact N-O 2.73Å
1716F89.5Confident71.8Confident0 Ų077.2 Ų77.20%039%0.392CS..EExtended strand (participates in β ladder)trans-143.7156.6176.469.1-95.7000112.5I1576 G1578 A1579 L1580 A1601 Y1604 F1607 A1718 L1735I1576-F1716 HydrophobicContact CG2-CE1 3.96Å; I1576-F1716 HydrophobicContact CG2-CZ 3.68Å; G1578-F1716 PolarHBondContact O-N 3.48Å; A1579-F1716 VanDerWaalsContact CA-CZ 3.4Å; A1579-F1716 HydrophobicContact CB-CE1 4.17Å; A1579-F1716 HydrophobicContact CB-CE2 3.87Å; A1579-F1716 HydrophobicContact CB-CZ 3.48Å; A1579-F1716 VanDerWaalsContact CB-CZ 3.48Å; L1580-F1716 PolarHBondContact N-O 2.72Å; A1601-F1716 HydrophobicContact CB-CB 3.86Å; A1601-F1716 WeakPolarHBondContact O-CA 3.47Å; Y1604-F1716 HydrophobicContact CD2-CD1 4.37Å; Y1604-F1716 HydrophobicContact CD2-CD2 4.25Å; Y1604-F1716 AromaticContact CD2-CE1 3.94Å; Y1604-F1716 HydrophobicContact CD2-CE1 3.94Å; Y1604-F1716 AromaticContact CD2-CE2 3.89Å; Y1604-F1716 HydrophobicContact CD2-CE2 3.89Å; Y1604-F1716 AromaticContact CD2-CZ 3.68Å; Y1604-F1716 HydrophobicContact CD2-CZ 3.68Å; Y1604-F1716 HydrophobicContact CE2-CE1 4.25Å; Y1604-F1716 HydrophobicContact CE2-CZ 4.14Å; F1607-F1716 HydrophobicContact CB-CB 3.69Å; F1607-F1716 HydrophobicContact CB-CD1 4.03Å; F1607-F1716 HydrophobicContact CB-CG 4.11Å; F1607-F1716 AromaticContact CD1-CD1 3.53Å; F1607-F1716 HydrophobicContact CD1-CD1 3.53Å; F1607-F1716 AromaticContact CD1-CE1 3.96Å; F1607-F1716 HydrophobicContact CD1-CE1 3.96Å; F1607-F1716 HydrophobicContact CD1-CG 4.39Å; F1607-F1716 HydrophobicContact CD2-CB 4.08Å; F1607-F1716 AromaticContact CD2-CD1 3.69Å; F1607-F1716 HydrophobicContact CD2-CD1 3.69Å; F1607-F1716 HydrophobicContact CD2-CG 4.35Å; F1607-F1716 AromaticContact CE1-CD1 3.73Å; F1607-F1716 HydrophobicContact CE1-CD1 3.73Å; F1607-F1716 AromaticContact CE1-CE1 3.85Å; F1607-F1716 HydrophobicContact CE1-CE1 3.85Å; F1607-F1716 AromaticContact CE2-CD1 3.86Å; F1607-F1716 HydrophobicContact CE2-CD1 3.86Å; F1607-F1716 HydrophobicContact CG-CB 3.99Å; F1607-F1716 AromaticContact CG-CD1 3.5Å; F1607-F1716 HydrophobicContact CG-CD1 3.5Å; F1607-F1716 VanDerWaalsContact CG-CD1 3.5Å; F1607-F1716 HydrophobicContact CG-CE1 4.38Å; F1607-F1716 HydrophobicContact CG-CG 4.08Å; F1607-F1716 AromaticContact CZ-CD1 3.87Å; F1607-F1716 HydrophobicContact CZ-CD1 3.87Å; F1607-F1716 HydrophobicContact CZ-CE1 4.15Å; F1716-A1718 HydrophobicContact CD2-CB 4.42Å; F1716-A1718 HydrophobicContact CE2-CB 3.81Å; F1716-A1718 PolarHBondContact O-N 2.92Å; F1716-L1735 HydrophobicContact CD2-CD1 4.2Å; F1716-L1735 HydrophobicContact CE2-CD1 3.36Å; F1716-L1735 HydrophobicContact CZ-CD1 4.02Å
1717I90.2Very high73.9Confident33 Ų3374.8 Ų74.817%0.16938%0.377CS..EExtended strand (participates in β ladder)trans-83.2110.2175.8-59.9170.2000109.7Y1560 L1580 T1582 I1600 A1601Y1560-I1717 HydrophobicContact CE1-CD1 3.98Å; Y1560-I1717 HydrophobicContact CE1-CG1 4.01Å; L1580-I1717 CarbonylContact O-C 3.32Å; L1580-I1717 WeakPolarHBondContact O-CA 3.37Å; T1582-I1717 HydrophobicContact CG2-CD1 3.79Å; T1582-I1717 HydrophobicContact CG2-CG1 4.11Å; T1582-I1717 HydrophobicContact CG2-CG2 3.72Å; I1600-I1717 HydrophobicContact CG2-CG1 4.2Å; A1601-I1717 PolarHBondContact O-N 3.01Å
1718A87.5Confident76.1Confident0 Ų068.8 Ų68.80%035%0.345CS..EExtended strand (participates in β ladder)trans-80.4-22.3176.700000113.2A1579 L1580 F1581 F1716 D1732 L1735A1579-A1718 HydrophobicContact CB-CB 4.19Å; L1580-A1718 PolarHBondContact O-N 3.28Å; F1581-A1718 HydrophobicContact CD1-CB 4.48Å; F1581-A1718 HydrophobicContact CE1-CB 4.07Å; F1581-A1718 HydrophobicContact CE2-CB 4.48Å; F1581-A1718 HydrophobicContact CZ-CB 4.08Å; F1716-A1718 HydrophobicContact CD2-CB 4.42Å; F1716-A1718 HydrophobicContact CE2-CB 3.81Å; F1716-A1718 PolarHBondContact O-N 2.92Å; A1718-D1732 WeakPolarHBondContact O-CB 3.3Å; A1718-D1732 PolarHBondContact O-N 3.44Å; A1718-L1735 HydrophobicContact CB-CD1 4.08Å
1719G88.7Confident78.2Confident8 Ų864.3 Ų64.38%0.08232%0.32CS..EExtended strand (participates in β ladder)trans170.5-167.8-178.700000114.7T1582 T1730T1582-G1719 PolarHBondContact N-O 3.19Å; T1582-G1719 PolarHBondContact OG1-O 3.16Å; G1719-T1730 CarbonylContact C-O 3.5Å; G1719-T1730 WeakPolarHBondContact CA-O 3.34Å
1720K88.8Confident80.4Confident63 Ų6362.9 Ų62.927%0.27432%0.316SS..EExtended strand (participates in β ladder)trans-113.3124171.5-172-174.6176.7-1720109.6T1582 E1584 L1729 T1730T1582-K1720 CarbonylContact O-C 3.52Å; T1582-K1720 WeakPolarHBondContact O-CA 3.3Å; T1582-K1720 WeakPolarHBondContact OG1-CA 3.48Å; E1584-K1720 WeakPolarHBondContact OE1-CE 3.45Å; E1584-K1720 IonicContact OE1-NZ 3.37Å; E1584-K1720 PolarHBondContact OE1-NZ 2.89Å; K1720-L1729 HydrophobicContact CD-CD1 4.11Å; K1720-L1729 HydrophobicContact CG-CD1 4.41Å; K1720-L1729 PolarHBondContact O-N 3.27Å; K1720-T1730 VanDerWaalsContact CB-OG1 3.32Å; K1720-T1730 WeakPolarHBondContact CB-OG1 3.11Å; K1720-T1730 PolarHBondContact N-O 3.31Å; K1720-T1730 PolarHBondContact O-N 3.27Å
1721Y89.3Confident82Confident9 Ų962.2 Ų62.24%0.03530%0.303CS..EExtended strand (participates in β ladder)trans-109143.8179.2174.7-114000110.6Y1561 E1565 A1566 T1582 T1583 P1723 Q1727 V1728Y1561-Y1721 HydrophobicContact CD1-CD1 4.3Å; Y1561-Y1721 HydrophobicContact CD1-CE1 4.08Å; Y1561-Y1721 HydrophobicContact CG-CD1 4.36Å; E1565-Y1721 PolarHBondContact O-OH 3.43Å; A1566-Y1721 HydrophobicContact CB-CD1 4.31Å; A1566-Y1721 HydrophobicContact CB-CD2 3.96Å; A1566-Y1721 HydrophobicContact CB-CE1 4.39Å; A1566-Y1721 HydrophobicContact CB-CE2 4.06Å; A1566-Y1721 HydrophobicContact CB-CG 4.1Å; A1566-Y1721 VanDerWaalsContact O-CE2 3.31Å; A1566-Y1721 WeakPolarHBondContact O-CE2 3.29Å; T1582-Y1721 PolarHBondContact O-N 3.24Å; T1583-Y1721 HydrophobicContact CG2-CD1 3.91Å; Y1721-P1723 HydrophobicContact CD1-CG 3.94Å; Y1721-P1723 HydrophobicContact CE1-CB 4.07Å; Y1721-P1723 HydrophobicContact CE1-CG 3.95Å; Y1721-Q1727 WeakPolarHBondContact CD2-O 3.36Å; Y1721-V1728 HydrophobicContact CD2-CG2 4.07Å
1722D85Confident83.6Confident34 Ų3457.5 Ų57.518%0.18228%0.277CS..EExtended strand (participates in β ladder)trans-107.8104171.3-179.7-16.9000109V1724 R1725 Q1726 Q1727 L1729D1722-V1724 PolarHBondContact O-N 3Å; D1722-V1724 WeakPolarHBondContact OD1-CA 3.35Å; D1722-V1724 WeakPolarHBondContact OD1-CB 3.44Å; D1722-V1724 PolarHBondContact OD1-N 2.98Å; D1722-R1725 HydrophobicContact CB-CB 4.12Å; D1722-R1725 PolarHBondContact O-N 3.43Å; D1722-R1725 PolarHBondContact OD1-N 3.28Å; D1722-R1725 VanDerWaalsContact OD1-N 3.16Å; D1722-R1725 WeakPolarHBondContact OD2-CD 3.34Å; D1722-R1725 WeakPolarHBondContact OD2-CG 3.31Å; D1722-R1725 IonicContact OD2-NE 3.3Å; D1722-R1725 PolarHBondContact OD2-NE 2.99Å; D1722-Q1726 WeakPolarHBondContact O-CA 3.44Å; D1722-Q1726 PolarHBondContact O-N 3.31Å; D1722-Q1727 PolarHBondContact N-O 2.9Å; D1722-Q1727 PolarHBondContact O-N 2.88Å; D1722-L1729 HydrophobicContact CB-CD1 4Å; D1722-L1729 HydrophobicContact CB-CD2 4.02Å; D1722-L1729 HydrophobicContact CB-CG 3.89Å
1723P78.9Confident84.2Confident38 Ų3860.4 Ų60.425%0.24730%0.299CS..THydrogen-bonded Turntrans-61.7-25.1179.6-24.434.6000114.4Y1561 T1583 Y1721Y1561-P1723 HydrophobicContact CE1-CG 4.46Å; Y1561-P1723 HydrophobicContact CE2-CG 4.4Å; T1583-P1723 HydrophobicContact CG2-CG 3.92Å; Y1721-P1723 HydrophobicContact CD1-CG 3.94Å; Y1721-P1723 HydrophobicContact CE1-CB 4.07Å; Y1721-P1723 HydrophobicContact CE1-CG 3.95Å
1724V82.7Confident84.2Confident139 Ų13962.2 Ų62.284%0.84231%0.309SS*.THydrogen-bonded Turntrans-78-36.9-179.7-175.60000110.5D1722D1722-V1724 PolarHBondContact O-N 3Å; D1722-V1724 WeakPolarHBondContact OD1-CA 3.35Å; D1722-V1724 WeakPolarHBondContact OD1-CB 3.44Å; D1722-V1724 PolarHBondContact OD1-N 2.98Å
1725R80.7Confident84.3Confident175 Ų17557.4 Ų57.466%0.6629%0.287SS*.THydrogen-bonded Turntrans-85.7-13175.2-67.7-179.4-175.7-106.1-1.1113.9D1722 Q1727D1722-R1725 HydrophobicContact CB-CB 4.12Å; D1722-R1725 PolarHBondContact O-N 3.43Å; D1722-R1725 PolarHBondContact OD1-N 3.28Å; D1722-R1725 VanDerWaalsContact OD1-N 3.16Å; D1722-R1725 WeakPolarHBondContact OD2-CD 3.34Å; D1722-R1725 WeakPolarHBondContact OD2-CG 3.31Å; D1722-R1725 IonicContact OD2-NE 3.3Å; D1722-R1725 PolarHBondContact OD2-NE 2.99Å; R1725-Q1727 HydrophobicContact CB-CB 4.28Å; R1725-Q1727 PolarHBondContact O-N 3.2Å
1726Q80.6Confident83.8Confident144 Ų14454.4 Ų54.467%0.67328%0.277SS*.THydrogen-bonded Turntrans50.539.1-170.1-60.5-176.3-11.100112.6D1722D1722-Q1726 WeakPolarHBondContact O-CA 3.44Å; D1722-Q1726 PolarHBondContact O-N 3.31Å
1727Q81.8Confident83.2Confident64 Ų6461.1 Ų61.130%0.29931%0.306SS..EExtended strand (participates in β ladder)trans-134.8143.4-176.6-159.6-17822.500111.4D1569 Y1721 D1722 R1725 L1729D1569-Q1727 WeakPolarHBondContact OD2-CG 3.47Å; Y1721-Q1727 WeakPolarHBondContact CD2-O 3.36Å; D1722-Q1727 PolarHBondContact N-O 2.9Å; D1722-Q1727 PolarHBondContact O-N 2.88Å; R1725-Q1727 HydrophobicContact CB-CB 4.28Å; R1725-Q1727 PolarHBondContact O-N 3.2Å; Q1727-L1729 PolarHBondContact O-N 3.4Å
1728V84.7Confident82.5Confident8 Ų864.1 Ų64.15%0.04832%0.321CS..EExtended strand (participates in β ladder)trans-75.8121.5168.2178.10000109.1D1569 F1581 Y1721 W1731D1569-V1728 HydrophobicContact CB-CB 4.06Å; D1569-V1728 HydrophobicContact CB-CG2 3.6Å; D1569-V1728 PolarHBondContact OD2-N 2.92Å; F1581-V1728 HydrophobicContact CD1-CG1 4.34Å; F1581-V1728 HydrophobicContact CD1-CG2 3.98Å; F1581-V1728 HydrophobicContact CE1-CB 4.49Å; F1581-V1728 HydrophobicContact CE1-CG1 3.99Å; F1581-V1728 HydrophobicContact CE1-CG2 3.59Å; F1581-V1728 HydrophobicContact CZ-CG2 4.13Å; Y1721-V1728 HydrophobicContact CD2-CG2 4.07Å; V1728-W1731 HydrophobicContact CB-CZ2 4Å; V1728-W1731 HydrophobicContact CG1-CD2 3.88Å; V1728-W1731 HydrophobicContact CG1-CG 4.12Å; V1728-W1731 HydrophobicContact CG1-CZ2 4.02Å; V1728-W1731 HydrophobicContact CG2-CH2 4.36Å; V1728-W1731 HydrophobicContact CG2-CZ2 3.97Å
1729L81.5Confident81.8Confident64 Ų6466.4 Ų66.434%0.33533%0.333SS..EExtended strand (participates in β ladder)trans-78.2-43-179.5-63.4-179.9000112K1720 D1722 Q1727K1720-L1729 HydrophobicContact CD-CD1 4.11Å; K1720-L1729 HydrophobicContact CG-CD1 4.41Å; K1720-L1729 PolarHBondContact O-N 3.27Å; D1722-L1729 HydrophobicContact CB-CD1 4Å; D1722-L1729 HydrophobicContact CB-CD2 4.02Å; D1722-L1729 HydrophobicContact CB-CG 3.89Å; Q1727-L1729 PolarHBondContact O-N 3.4Å
1730T84.1Confident80.8Confident83 Ų8372.9 Ų72.951%0.50937%0.366SS..EExtended strand (participates in β ladder)trans-147135.5-176.257.80000110.3G1719 K1720G1719-T1730 CarbonylContact C-O 3.5Å; G1719-T1730 WeakPolarHBondContact CA-O 3.34Å; K1720-T1730 VanDerWaalsContact CB-OG1 3.32Å; K1720-T1730 WeakPolarHBondContact CB-OG1 3.11Å; K1720-T1730 PolarHBondContact N-O 3.31Å; K1720-T1730 PolarHBondContact O-N 3.27Å
1731W85.3Confident79.7Confident57 Ų5772.4 Ų72.422%0.21637%0.366CS..EExtended strand (participates in β ladder)trans-99.5153.1176.2-69.992.6000111.7D1569 L1572 V1573 F1581 V1728 A1736 L1739 L1741D1569-W1731 HydrophobicContact CB-CZ2 4.23Å; D1569-W1731 VanDerWaalsContact O-CH2 3.29Å; D1569-W1731 WeakPolarHBondContact O-CH2 3.47Å; L1572-W1731 HydrophobicContact CD1-CZ2 4.49Å; V1573-W1731 HydrophobicContact CG1-CH2 4.23Å; V1573-W1731 HydrophobicContact CG1-CZ3 3.68Å; V1573-W1731 HydrophobicContact CG2-CZ3 4.22Å; F1581-W1731 HydrophobicContact CE1-CE3 4.19Å; F1581-W1731 HydrophobicContact CE1-CH2 4.01Å; F1581-W1731 AromaticContact CE1-CZ3 3.74Å; F1581-W1731 HydrophobicContact CE1-CZ3 3.74Å; F1581-W1731 HydrophobicContact CZ-CE3 4.49Å; F1581-W1731 AromaticContact CZ-CH2 3.75Å; F1581-W1731 HydrophobicContact CZ-CH2 3.75Å; F1581-W1731 AromaticContact CZ-CZ3 3.62Å; F1581-W1731 HydrophobicContact CZ-CZ3 3.62Å; V1728-W1731 HydrophobicContact CB-CZ2 4Å; V1728-W1731 HydrophobicContact CG1-CD2 3.88Å; V1728-W1731 HydrophobicContact CG1-CG 4.12Å; V1728-W1731 HydrophobicContact CG1-CZ2 4.02Å; V1728-W1731 HydrophobicContact CG2-CH2 4.36Å; V1728-W1731 HydrophobicContact CG2-CZ2 3.97Å; W1731-A1736 HydrophobicContact CB-CB 4.06Å; W1731-L1739 HydrophobicContact CE3-CD1 4.31Å; W1731-L1739 HydrophobicContact CZ3-CD1 4.1Å; W1731-L1741 HydrophobicContact CD2-CD1 3.75Å; W1731-L1741 HydrophobicContact CE3-CD1 4.35Å; W1731-L1741 HydrophobicContact CG-CD1 3.94Å; W1731-L1741 HydrophobicContact CZ2-CD1 4.14Å
1732D86Confident77.9Confident23 Ų2380.5 Ų80.512%0.12340%0.401CS..  trans-57.2141.2164.6174.1-76.4000110.5S1603 Y1604 A1718 E1734 L1735 A1736S1603-D1732 VanDerWaalsContact CA-OD2 3.25Å; S1603-D1732 WeakPolarHBondContact CA-OD2 3.24Å; S1603-D1732 WeakPolarHBondContact CB-OD2 3.5Å; Y1604-D1732 PolarHBondContact N-OD2 3.48Å; Y1604-D1732 VanDerWaalsContact N-OD2 3.16Å; A1718-D1732 WeakPolarHBondContact O-CB 3.3Å; A1718-D1732 PolarHBondContact O-N 3.44Å; D1732-E1734 VanDerWaalsContact C-N 3.32Å; D1732-E1734 PolarHBondContact O-N 2.89Å; D1732-E1734 PolarHBondContact OD1-N 3.25Å; D1732-L1735 HydrophobicContact CB-CB 4.22Å; D1732-L1735 HydrophobicContact CB-CD1 4.2Å; D1732-L1735 PolarHBondContact OD1-N 3.41Å; D1732-L1735 VanDerWaalsContact OD1-N 3.13Å; D1732-A1736 VanDerWaalsContact O-CB 3.26Å; D1732-A1736 WeakPolarHBondContact O-CB 3.36Å; D1732-A1736 PolarHBondContact O-N 3.33Å
1733T79.6Confident76.1Confident101 Ų10184 Ų8462%0.6242%0.424SS*.THydrogen-bonded Turntrans-72.9-21.8-169.3-59.10000113.7K1737T1733-K1737 WeakPolarHBondContact O-CD 3.48Å; T1733-K1737 WeakPolarHBondContact O-CE 3.31Å; T1733-K1737 WeakPolarHBondContact O-CG 3.38Å
1734E77.1Confident74.4Confident91 Ų9189.9 Ų89.943%0.42545%0.448SS..THydrogen-bonded Turntrans-89.2-42.3176.6-66.8177.3179.200110.4Y1604 G1605 D1732 A1736 K1737 I1738Y1604-E1734 HydrophobicContact CD1-CB 4.34Å; G1605-E1734 WeakPolarHBondContact CA-OE2 3.47Å; G1605-E1734 PolarHBondContact N-OE2 2.93Å; D1732-E1734 VanDerWaalsContact C-N 3.32Å; D1732-E1734 PolarHBondContact O-N 2.89Å; D1732-E1734 PolarHBondContact OD1-N 3.25Å; E1734-A1736 PolarHBondContact O-N 3.36Å; E1734-K1737 WeakPolarHBondContact O-CB 3.5Å; E1734-K1737 PolarHBondContact O-N 3.38Å; E1734-I1738 WeakPolarHBondContact O-CG1 3.11Å; E1734-I1738 PolarHBondContact O-N 3.09Å; E1734-I1738 VanDerWaalsContact O-N 3.12Å
1735L79.6Confident72.2Confident0 Ų092.4 Ų92.40%045%0.448CS..Hα-helixtrans-61.6-41.4172.6-84162.6000113.2I1576 Y1604 F1716 A1718 D1732 K1737 I1738 L1739I1576-L1735 HydrophobicContact CD1-CD2 3.4Å; Y1604-L1735 HydrophobicContact CD1-CG 4.16Å; Y1604-L1735 HydrophobicContact CD2-CD1 3.88Å; Y1604-L1735 HydrophobicContact CD2-CD2 4.02Å; Y1604-L1735 HydrophobicContact CD2-CG 3.91Å; Y1604-L1735 HydrophobicContact CE2-CD2 4.15Å; Y1604-L1735 HydrophobicContact CG-CD1 3.92Å; Y1604-L1735 HydrophobicContact CG-CD2 4.19Å; Y1604-L1735 HydrophobicContact CG-CG 3.69Å; F1716-L1735 HydrophobicContact CD2-CD1 4.2Å; F1716-L1735 HydrophobicContact CE2-CD1 3.36Å; F1716-L1735 HydrophobicContact CZ-CD1 4.02Å; A1718-L1735 HydrophobicContact CB-CD1 4.08Å; D1732-L1735 HydrophobicContact CB-CB 4.22Å; D1732-L1735 HydrophobicContact CB-CD1 4.2Å; D1732-L1735 PolarHBondContact OD1-N 3.41Å; D1732-L1735 VanDerWaalsContact OD1-N 3.13Å; L1735-K1737 PolarHBondContact O-N 3.03Å; L1735-I1738 PolarHBondContact O-N 3.49Å; L1735-I1738 VanDerWaalsContact O-N 3.12Å; L1735-L1739 WeakPolarHBondContact O-CB 3.21Å; L1735-L1739 VanDerWaalsContact O-CG 3.31Å; L1735-L1739 WeakPolarHBondContact O-CG 3.4Å; L1735-L1739 PolarHBondContact O-N 3.37Å
1736A78.3Confident69.9Low8 Ų891 Ų917%0.06645%0.453CS..Hα-helixtrans-58.8-32.9176.700000112.5W1731 D1732 E1734 N1740 L1741W1731-A1736 HydrophobicContact CB-CB 4.06Å; D1732-A1736 VanDerWaalsContact O-CB 3.26Å; D1732-A1736 WeakPolarHBondContact O-CB 3.36Å; D1732-A1736 PolarHBondContact O-N 3.33Å; E1734-A1736 PolarHBondContact O-N 3.36Å; A1736-N1740 PolarHBondContact O-N 3.05Å; A1736-L1741 HydrophobicContact CB-CB 4.48Å; A1736-L1741 PolarHBondContact O-N 3.24Å
1737K77.4Confident67.7Low142 Ų14295.8 Ų95.862%0.61747%0.465SS*.Hα-helixtrans-71.6-46.1174.3-65.2166.6-172170.50111.4T1733 E1734 L1735 L1739 N1740T1733-K1737 WeakPolarHBondContact O-CD 3.48Å; T1733-K1737 WeakPolarHBondContact O-CE 3.31Å; T1733-K1737 WeakPolarHBondContact O-CG 3.38Å; E1734-K1737 WeakPolarHBondContact O-CB 3.5Å; E1734-K1737 PolarHBondContact O-N 3.38Å; L1735-K1737 PolarHBondContact O-N 3.03Å; K1737-L1739 VanDerWaalsContact C-N 3.33Å; K1737-L1739 PolarHBondContact O-N 3.47Å; K1737-N1740 PolarHBondContact O-N 3.45Å; K1737-N1740 VanDerWaalsContact O-N 3.12Å
1738I74.4Confident67Low95 Ų9597.4 Ų97.449%0.48747%0.473SS..Hα-helixtrans-61.1-43.1-179.9-66.6165.2000110.9Y1604 E1734 L1735 N1740Y1604-I1738 HydrophobicContact CD1-CD1 4.01Å; Y1604-I1738 HydrophobicContact CE1-CD1 3.41Å; Y1604-I1738 VanDerWaalsContact CE1-CD1 3.41Å; E1734-I1738 WeakPolarHBondContact O-CG1 3.11Å; E1734-I1738 PolarHBondContact O-N 3.09Å; E1734-I1738 VanDerWaalsContact O-N 3.12Å; L1735-I1738 PolarHBondContact O-N 3.49Å; L1735-I1738 VanDerWaalsContact O-N 3.12Å; I1738-N1740 PolarHBondContact O-N 3.37Å
1739L73Confident66.1Low48 Ų48102.1 Ų102.125%0.25150%0.496SS..THydrogen-bonded Turntrans-77.62.1178.7-61.5169.1000113.7L1572 V1573 W1731 L1735 K1737 L1741L1572-L1739 WeakPolarHBondContact O-CD2 3.44Å; V1573-L1739 HydrophobicContact CG1-CD1 3.54Å; V1573-L1739 HydrophobicContact CG1-CD2 4.3Å; V1573-L1739 HydrophobicContact CG1-CG 4.47Å; W1731-L1739 HydrophobicContact CE3-CD1 4.31Å; W1731-L1739 HydrophobicContact CZ3-CD1 4.1Å; L1735-L1739 WeakPolarHBondContact O-CB 3.21Å; L1735-L1739 VanDerWaalsContact O-CG 3.31Å; L1735-L1739 WeakPolarHBondContact O-CG 3.4Å; L1735-L1739 PolarHBondContact O-N 3.37Å; K1737-L1739 VanDerWaalsContact C-N 3.33Å; K1737-L1739 PolarHBondContact O-N 3.47Å; L1739-L1741 HydrophobicContact CB-CD1 3.95Å; L1739-L1741 HydrophobicContact CB-CG 3.76Å; L1739-L1741 HydrophobicContact CD1-CD1 3.81Å; L1739-L1741 PolarHBondContact O-N 3.36Å; L1739-L1741 VanDerWaalsContact O-N 3.07Å
1740N67.5Low65.2Low145 Ų145104.2 Ų104.278%0.77551%0.505SS*.THydrogen-bonded Turntrans50.728.4-172.8-70.9-62.5000114.2A1736 K1737 I1738 K1742A1736-N1740 PolarHBondContact O-N 3.05Å; K1737-N1740 PolarHBondContact O-N 3.45Å; K1737-N1740 VanDerWaalsContact O-N 3.12Å; I1738-N1740 PolarHBondContact O-N 3.37Å; N1740-K1742 PolarHBondContact O-N 3.06Å
1741L66.7Low64.1Low52 Ų52105.4 Ų105.427%0.27250%0.504SS..  trans-71.1116.6179.2-69.9173.1000109.1L1572 W1731 A1736 L1739 T1743L1572-L1741 HydrophobicContact CD1-CD2 4.32Å; W1731-L1741 HydrophobicContact CD2-CD1 3.75Å; W1731-L1741 HydrophobicContact CE3-CD1 4.35Å; W1731-L1741 HydrophobicContact CG-CD1 3.94Å; W1731-L1741 HydrophobicContact CZ2-CD1 4.14Å; A1736-L1741 HydrophobicContact CB-CB 4.48Å; A1736-L1741 PolarHBondContact O-N 3.24Å; L1739-L1741 HydrophobicContact CB-CD1 3.95Å; L1739-L1741 HydrophobicContact CB-CG 3.76Å; L1739-L1741 HydrophobicContact CD1-CD1 3.81Å; L1739-L1741 PolarHBondContact O-N 3.36Å; L1739-L1741 VanDerWaalsContact O-N 3.07Å; L1741-T1743 PolarHBondContact O-N 3.48Å
1742K50.5Low62.8Low179 Ų179108.4 Ų108.478%0.77852%0.522SS*.  trans-59.2110.5170-73.5-179.4179.7175.10108.3N1740 H1744N1740-K1742 PolarHBondContact O-N 3.06Å; K1742-H1744 VanDerWaalsContact C-N 3.31Å; K1742-H1744 PolarHBondContact O-CD2 2.91Å; K1742-H1744 VanDerWaalsContact O-CD2 3.3Å; K1742-H1744 PolarHBondContact O-N 3.13Å
1743T46.8Very low61.2Low107 Ų107114.1 Ų114.166%0.65655%0.549SS*.  trans-62.495.1170.3560000108.2L1741 K1745L1741-T1743 PolarHBondContact O-N 3.48Å; T1743-K1745 VanDerWaalsContact C-N 3.32Å; T1743-K1745 PolarHBondContact O-N 3.11Å
1744H43.3Very low59.9Low162 Ų162115.1 Ų115.175%0.7554%0.544SS*.  trans-65.993.2175.5-81.3-87000108.7K1742 N1746K1742-H1744 VanDerWaalsContact C-N 3.31Å; K1742-H1744 PolarHBondContact O-CD2 2.91Å; K1742-H1744 VanDerWaalsContact O-CD2 3.3Å; K1742-H1744 PolarHBondContact O-N 3.13Å; H1744-N1746 PolarHBondContact O-N 2.9Å
1745K38.1Very low58.6Low193 Ų193116.9 Ų116.984%0.83955%0.553SS**  trans-66.58.9175.3-79.7-171.5171.8-175.90114.3T1743T1743-K1745 VanDerWaalsContact C-N 3.32Å; T1743-K1745 PolarHBondContact O-N 3.11Å
1746N31.1Very low56.8Low146 Ų146126.7 Ų126.778%0.78160%0.599SS**  trans-121.783.8178.7-66.3-0000109.5H1744H1744-N1746 PolarHBondContact O-N 2.9Å
1747R34.9Very low54.9Low243 Ų243137.5 Ų137.592%0.91765%0.648SS**  trans-149.80156.9-99-166.8177179.3-0.6109

Retrieved 1,747 of 1,747 residues in 721.3 ms (Link to these results)