A0A3Q0KN41_SCHMA Loading...

Nuclear hormone receptor nor-1/nor-2, putative

AlphaFold DB , UniProt , Accession A0A3Q0KN41, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,548 aa.

>A0A3Q0KN41_SCHMA|A0A3Q0KN41
MAIPITFQSLHETTNSGLMIHSCDIHDTFDSHIPSIPSNHHYYHEVGHIDGSDSMNTNGLFPEWSLKLSSKQDVYVKSNSEDTTNYTDPLFLSTNLELNYPKLSYTTECNSEQEISSSLLPDCLSKGLSELVNKLNNDNTDHGIPNQSECYESNELSNCLTTIPSTLNIFTSFTNSEVNNKVNSLNSSNCYPSLSHKSHSDHLYSPISTKYNDHTSSHSSNLTNESLNISKMFNLDHYETMKPSFNDKDLIHEGTLQLQTSFEKVKNFTTNKKLLHNDEYTEPSVSLSAEEIVKRHIIHSYTNKNDEQDKVVSFLNYPTSSIVSYDHLTTTLLNHTSWIHKDETSSSSSFKRNQSLSTLKQSRLKRKIDDPYSSYTINHGTRNPCRQLSNMNQNFIQEGKHCITDTTNKPYTLHTTHNGLQSIPESYFIDFTHDHPLNQSDHLCIKEIEQKIKCSLPCCLSYSNEMAYNTPMNCIETPSIINNQSSYLSHRSIPLDDWDKTIEKSTFNYDISSSSMNHLERIESANNDYSIYTTHEPLNFTPSFDYYIHPMAQRYSSTCSNDEYHNSNNSNGDNKSIISSTFHQEPQQICHRNNTTNNNSSNTLDYLNINPLTYFSSNLFPSTDINDKFKMNSSHLTAKQAFLIRNYLHGDNHKNFTKITHIHDELFNISNKSSSSSTIMTTNEDTTATTTTTTHTTNNDPSIHSILNNETILPIEHNSNSNTMNSNNSNITNSNGNSNNINNDLCLNEFDNFLHLTPSNCNCIIDCKGDVDDDGDYYVTVKDNNNALNDYKGNTNKLFQKKFPPKSSLYNPLDIENKSSCYGDKSTTTTTTILCNKLNYNNYNDTILLNNNKSNTIIHNIDSYHCLNGIESLNEKHIKLYNEHNKCLSPSLLSSSSSSSHSSSSYLTGNHSTPTPISIPSTSSSTSSSSTLSLSSTSTPSIISSKVSNYNLNDLNSITINEIDCHQLCLVCGDNAACQHYGVRTCEGCKGFFKRTIQKNAQYVCLQAKNCVVDKRRRNRCQYCRFQKCLKVGMVKEVVRRDSLKGRRGRLSSKARCQLNEHGGLTNCYSDGSINKNLLPLHSFLHKRNSISPNYTSINGKRYSGSNIQLNNSNRTNSCTVNSTVTLLSMLSRAYEMVGPRIHPVIVNHDNSFIQSHECSKKHDVSNGEVGDSLQTSPDDTQIDEQYTTKFCSILEESMNELKHYAELVPGFMNLSMNDREIMLNLHFLDLLSFRLAWRVAMETEVTTHLNYAPTLFIENHSDNCTKLNQIIHDNTLIDKTHDISSSMKMTPITTTMVTTTSAVTKTDTSSNYENIYAPTINNWNPQNHSEIECYKTNYLLNNSSSKNHQKQIEFVFENGKSMSYYELLKSGFGNWANQIQQLSNQLKLLIQDDYNAIWGLAALILVNYKSINYLTPLTNSSEVYSLHHRFVEMLKSHCCSSTQHINLTTNTQSSLLLDSTHTTNNIISSIHNNPSRKINKLIPNDHITSTSLLRNDSTYFSKVFQQKDVIHEMTREYLIQPLQRLYEMDPNTYIWLKDIIEIMKLSD
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(Predicted Aligned Error values between residue pairs)
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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
1M30.4Very low29.3Very low239 Ų239142.9 Ų142.9100%1.17778%0.776SS**  089.20-57.6167.2-168.500105.3
2A29.3Very low29.2Very low88 Ų88143.2 Ų143.273%0.72777%0.768SS**  70.8102.678.300000109.7
3I29.4Very low29Very low160 Ų160140.5 Ų140.582%0.82176%0.76SS**  cis64119.328.8-53177.4000109.2
4P31.5Very low29.3Very low119 Ų119139.5 Ų139.577%0.77376%0.762SS**  -137.8168.660.740.2-23.5000119.8
5I31.2Very low29.3Very low144 Ų144139.7 Ų139.774%0.73876%0.762SS**  trans-111140.9163.4-59.7165.5000107.1F7I5-F7 HydrophobicContact CG2-CD2 4.28Å
6T30Very low29.2Very low127 Ų127137.9 Ų137.978%0.77976%0.762SS**  trans-141.6125.7157.249.60000107.3
7F26.9Very low29.2Very low172 Ų172134.1 Ų134.175%0.75476%0.762SS**  58.5142.659.7-79.3-108.7000114.3I5I5-F7 HydrophobicContact CG2-CD2 4.28Å
8Q26.6Very low28.9Very low119 Ų119131.4 Ų131.456%0.55674%0.744SS**  cis-174152.7-29.5-166.3171.19.400107.4E1333Q8-E1333 PolarHBondContact NE2-OE1 2.82Å
9S29.3Very low28.7Very low116 Ų116130.7 Ų130.781%0.81174%0.736SS**  trans163.4139.7136.658.60000112.6
10L28.2Very low28.7Very low111 Ų111130.1 Ų130.158%0.58173%0.729SS**  trans-103154.2171-66.487.4000112
11H30.2Very low28.6Very low177 Ų177131.6 Ų131.682%0.81973%0.73SS**  trans-166.4114.6148.2-109.4-68.3000105.9
12E27.8Very low28.4Very low146 Ų146125.4 Ų125.468%0.68271%0.71SS**  cis73.4103.225.7-153.4-173.4-101.700114.9
13T26.9Very low28.1Very low108 Ų108126 Ų12666%0.66371%0.708SS**  179.2167114.330.70000112.5
14T33.4Very low27.9Very low127 Ų127124.2 Ų124.278%0.77970%0.7SS**  trans85.6138.2166.976.10000120
15N29.2Very low27.9Very low143 Ų143124.9 Ų124.977%0.76570%0.696SS**  cis-160.6144.5-46.6-127.2-21.7000113.9
16S26.8Very low27.6Very low110 Ų110126.1 Ų126.177%0.76970%0.698SS**  trans51.8133.7148.165.90000123
17G28.7Very low27.4Very low73 Ų73124.4 Ų124.475%0.75369%0.685SS**  trans130.489.6164.500000113.2
18L25Very low27.4Very low86 Ų86122.1 Ų122.145%0.4569%0.685SS.*  cis70.288.126.9-149.9-176.6000113.7P1484L18-P1484 HydrophobicContact CD1-CB 3.73Å; L18-P1484 HydrophobicContact CD2-CB 3.81Å; L18-P1484 HydrophobicContact CG-CB 4.34Å
19M25.5Very low27.4Very low118 Ų118123.6 Ų123.658%0.58169%0.689SS**  trans174.5154.1137.6-105.1-171.2174.900117.4
20I28.8Very low27.4Very low119 Ų119124.7 Ų124.761%0.6169%0.686SS**  trans73.887.5148.1-64.8160.6000119
21H24.8Very low27.4Very low162 Ų162122.8 Ų122.875%0.7568%0.682SS**  16.3108107.1-143.6-81.6000118.3
22S27.3Very low27.4Very low108 Ų108121.7 Ų121.776%0.75568%0.677SS**  trans-146.5112.4152.7-68.70000110.8
23C23.2Very low27.3Very low101 Ų101121.6 Ų121.668%0.68268%0.68SS**  trans-81172.8148.6-71.30000108.6
24D25.7Very low27.6Very low122 Ų122121.7 Ų121.765%0.65268%0.683SS**  trans67.3120.5176.7-51.8-31.2000114.1
25I30.5Very low27.4Very low133 Ų133120.4 Ų120.468%0.68268%0.678SS**  64.495.856.9-54.3166.5000110.9
26H25Very low27.4Very low170 Ų170120.6 Ų120.679%0.78768%0.678SS**  -155.6116.3123.1-100-66.3000104.8
27D26.4Very low27.5Very low92 Ų92121 Ų12149%0.49268%0.678SS.*  79.4157.385-86.1-56000112.3F29D27-F29 VanDerWaalsContact OD1-CD2 3.28Å; D27-F29 WeakPolarHBondContact OD1-CD2 3.48Å; D27-F29 WeakPolarHBondContact OD1-CE2 3.39Å
28T27Very low27.5Very low123 Ų123122.7 Ų122.776%0.75568%0.679SS**  cis-115.516022.445.20000114.4
29F26.1Very low27.5Very low150 Ų150124.8 Ų124.866%0.65869%0.69SS**  26.6130.493.1-56.3-119.7000112.7D27D27-F29 VanDerWaalsContact OD1-CD2 3.28Å; D27-F29 WeakPolarHBondContact OD1-CD2 3.48Å; D27-F29 WeakPolarHBondContact OD1-CE2 3.39Å
30D29.7Very low27.6Very low139 Ų139126 Ų12674%0.74369%0.694SS**  cis-119.6150.739-83.7-57000114
31S26.6Very low27.4Very low72 Ų72126.2 Ų126.250%0.50369%0.692SS.*  68.6153.454109.30000112.3
32H30.2Very low27.4Very low154 Ų154126 Ų12671%0.71369%0.686SS**  cis-158170.417.3-133.4-19.7000110.8
33I26.7Very low27.4Very low143 Ų143129.1 Ų129.173%0.73368%0.682SS**  trans74.2144.4146.5-78.3163.6000117.1
34P33.2Very low27.5Very low111 Ų111129.8 Ų129.872%0.72168%0.675SS**  -134.6-145.4-125.545-29.2000112.8
35S28.4Very low27.5Very low99 Ų99131 Ų13169%0.69268%0.677SS**  trans131.1156.4133.273.30000116.6
36I29Very low27.3Very low148 Ų148130.1 Ų130.176%0.75968%0.678SS**  trans71.3116.1165.9-52.5-178.6000117.7
37P30.3Very low27.5Very low117 Ų117125.1 Ų125.176%0.7667%0.672SS**  trans-93.2156.916437.2-32.8000112.7
38S29.1Very low27.6Very low110 Ų110128.3 Ų128.377%0.76968%0.683SS**  trans-154116.1154.5-69.50000107.2
39N24.2Very low27.7Very low129 Ų129129.1 Ų129.169%0.6968%0.682SS**  58.5126.677.5-91.11.3000115.1
40H26.9Very low27.8Very low143 Ų143129.5 Ų129.566%0.66269%0.69SS**  trans72.8143141.8-65.4-18.9000118.3
41H25Very low27.8Very low124 Ų124125 Ų12557%0.57468%0.677SS**  cis-172.2-162.8-16.2-131.3-36.1000110.1
42Y26Very low27.8Very low159 Ų159127.2 Ų127.262%0.62469%0.692SS**  trans34.3128.3142.7-63.4-52.8000120
43Y25.8Very low27.7Very low173 Ų173126.8 Ų126.868%0.67870%0.696SS**  cis-173.1-173.1-1.6-140-168.3000112.7
44H26.4Very low27.7Very low115 Ų115124.4 Ų124.453%0.53269%0.691SS.*  trans19.3149.6137.1-74.1-141.8000120.8
45E24.9Very low27.4Very low147 Ų147127 Ų12769%0.68770%0.696SS**  cis-167.6-170.50.1-121.7177.3147.200112.3
46V27.2Very low27.3Very low115 Ų115127.8 Ų127.870%0.69769%0.692SS**  trans13.6134143.8-177.90000118.2
47G29.2Very low27.2Very low64 Ų64125.9 Ų125.966%0.6669%0.688SS**  cis146.8-176.51.100000112.6
48H28.4Very low27.2Very low160 Ų160127.5 Ų127.574%0.74169%0.69SS**  trans66.8140.3162.7-75.3-67.5000121.4
49I28.2Very low27.1Very low140 Ų140125.6 Ų125.672%0.71869%0.688SS**  54.4125.6128.4-60.9169.3000117.6
50D29.3Very low27.4Very low157 Ų157128 Ų12884%0.8470%0.7SS**  cis-170.7-167.4-20.4-120.2-60.3000106.1
51G28.8Very low27.3Very low45 Ų45130.7 Ų130.746%0.46471%0.71SS.*  cis143.2134.1-1.300000111.2
52S27.2Very low27.9Very low118 Ų118129.2 Ų129.283%0.82571%0.711SS**  trans65.2151.6177.979.60000116.3
53D26.8Very low27.8Very low146 Ų146128.7 Ų128.778%0.78171%0.714SS**  cis-163.6169.2-19.9-125.1-47.3000113.8
54S27.6Very low27.7Very low92 Ų92130.7 Ų130.764%0.64372%0.721SS**  trans71.8130.8151.988.50000118.7
55M26.3Very low27.7Very low167 Ų167131.2 Ų131.282%0.82374%0.738SS**  93.8148.979-80.3-165-174.500114
56N26.9Very low27.6Very low114 Ų114132 Ų13261%0.6175%0.745SS**  cis-160.6159-13.1-130.7-17.9000111.8
57T27Very low27.7Very low109 Ų109136 Ų13667%0.66975%0.754SS**  trans61.3162.4151.158.30000119
58N29.5Very low27.4Very low151 Ų151140.3 Ų140.381%0.80776%0.761SS**  cis-143155.311.2-100.9-50.4000111.9
59G27.6Very low27.3Very low70 Ų70137.6 Ų137.672%0.72276%0.76SS**  trans73.1146.7147.300000119.4
60L29.8Very low27Very low179 Ų179135.9 Ų135.994%0.93776%0.76SS**  cis-146.4161-1.9-95.4155.6000110.9
61F25.2Very low26.9Very low200 Ų200136.5 Ų136.588%0.87776%0.755SS**  trans-83.6-175171.7-93.6-85.1000111.3
62P37.3Very low26.8Very low93 Ų93140.4 Ų140.460%0.60476%0.762SS**  cis-134.9175.4-16.226.6-3.5000115.2
63E24.6Very low26.7Very low147 Ų147141.7 Ų141.769%0.68776%0.759SS**  trans46.7155.8137.4-66.6177.8133.400122.7
64W23.9Very low26.8Very low215 Ų215140.8 Ų140.881%0.81476%0.759SS**  cis-142.2153.7-2.7-92-42.1000109.8
65S26Very low26.8Very low127 Ų127145.3 Ų145.389%0.88876%0.763SS**  trans-171.1126.3130.2-89.70000112.8
66L23.8Very low26.7Very low162 Ų162144.4 Ų144.485%0.84877%0.767SS**  trans-83.8144.4169.2-79.8158.1000110.5
67K27.7Very low26.7Very low201 Ų201145.9 Ų145.987%0.87477%0.767SS**  trans-140.854.2154.3-140.1168.1-169.71740113.1S69K67-S69 PolarHBondContact O-N 3.28Å
68L23.6Very low26.6Very low154 Ų154144.7 Ų144.781%0.80676%0.764SS**  trans-77.994.3159.9-133.7171.6000107.3S70L68-S70 PolarHBondContact O-N 3.5Å
69S25.8Very low26.3Very low102 Ų102145 Ų14571%0.71377%0.766SS**  trans-87.687.9-175.6-1790000111.6K67K67-S69 PolarHBondContact O-N 3.28Å
70S22.2Very low26Very low104 Ų104146 Ų14673%0.72776%0.762SS**  trans-113.8105156.4570000109.1L68L68-S70 PolarHBondContact O-N 3.5Å
71K27.3Very low25.8Very low171 Ų171145.5 Ų145.574%0.74375%0.754SS**  trans-137.7148.1167.9-79.4-172.6148.7-130.90106.4
72Q27.8Very low25.7Very low127 Ų127142.9 Ų142.959%0.59375%0.749SS**  cis-151.4136.9-14.5-104.8170.3-80.800104.5
73D24Very low25.1Very low144 Ų144143.8 Ų143.877%0.7775%0.754SS**  50100.584.4-56.7-42.6000114.1
74V29.1Very low25.3Very low128 Ų128142.2 Ų142.278%0.77675%0.754SS**  trans-141.497.5161.4178.70000109.4
75Y26.9Very low25.3Very low186 Ų186138.3 Ų138.373%0.72975%0.749SS**  trans63.6162.2157-76.7-103.3000116.2K77Y75-K77 HydrophobicContact CD1-CB 3.83Å; Y75-K77 HydrophobicContact CE1-CB 3.76Å; Y75-K77 HydrophobicContact CE1-CD 3.99Å; Y75-K77 HydrophobicContact CE1-CG 4.44Å
76V25.2Very low25.4Very low149 Ų149142.1 Ų142.190%0.90375%0.746SS**  cis-97.7158.820.8179.20000114
77K27.2Very low25.8Very low144 Ų144140.1 Ų140.163%0.62674%0.74SS**  trans-123.1136.9-175.7-160.3-167-178.8-172.50109.2Y75Y75-K77 HydrophobicContact CD1-CB 3.83Å; Y75-K77 HydrophobicContact CE1-CB 3.76Å; Y75-K77 HydrophobicContact CE1-CD 3.99Å; Y75-K77 HydrophobicContact CE1-CG 4.44Å
78S24.8Very low25.6Very low85 Ų85137.3 Ų137.359%0.59474%0.735SS**  trans45119.4149.960.30000121.3
79N22.5Very low26Very low158 Ų158135.9 Ų135.985%0.84573%0.734SS**  35.6145.8120.6-47.522.1000121.5
80S22.2Very low25.9Very low91 Ų91138.2 Ų138.264%0.63674%0.738SS**  trans-65.9176147.263.70000111.2
81E24Very low26.2Very low167 Ų167142.5 Ų142.578%0.7874%0.744SS**  cis-160.1150.98-141.2147.4-93.500106.1
82D24.8Very low26.3Very low145 Ų145141.4 Ų141.478%0.77575%0.746SS**  trans-172.8122.9141.4-109.3-24.8000114.1
83T24.9Very low26.1Very low113 Ų113139.6 Ų139.669%0.69375%0.747SS**  trans65.8137.6145.460.40000123.7
84T28Very low26.3Very low113 Ų113139.2 Ų139.269%0.69375%0.75SS**  trans69.9103.5146.848.10000121.5
85N24.4Very low26.2Very low134 Ų134139.8 Ų139.872%0.71775%0.749SS**  45.4111.8116.7-46.1-10.6000118.9
86Y28.2Very low26.4Very low207 Ų207138.2 Ų138.281%0.81275%0.752SS**  -179.3124.492.6-108.8-86.7000112.8
87T30.7Very low26.4Very low119 Ų119138.8 Ų138.873%0.7375%0.745SS**  trans37.8124.9146.2570000122.6
88D24.1Very low26.5Very low143 Ų143138.4 Ų138.477%0.76575%0.749SS**  trans-59169.6146.1-56.9-73.7000112.1
89P33Very low26.7Very low123 Ų123141.2 Ų141.280%0.79976%0.757SS**  -139.5139.496.636-23.7000115.7
90L23.4Very low26.8Very low151 Ų151144.3 Ų144.379%0.79176%0.759SS**  trans-74.6145163.5-73.4158.3000111.7
91F28.6Very low27.7Very low195 Ų195145.2 Ų145.286%0.85576%0.762SS**  trans-174.8150.4149.1-89.8-49.1000108.9
92L27.7Very low27.7Very low148 Ų148145.4 Ų145.478%0.77576%0.761SS**  cis-146.6159.9-2.7-149.8141.3000109.6
93S23.9Very low27.7Very low88 Ų88146.5 Ų146.562%0.61577%0.765SS**  trans-99.3159.6-171.255.20000116.2
94T28.8Very low27.7Very low137 Ų137146 Ų14684%0.8477%0.766SS**  trans-137.8103.5151.253.80000113.1
95N26.5Very low27.6Very low140 Ų140150.7 Ų150.775%0.74977%0.773SS**  trans21129.5143.5-48.5-12.1000120.7
96L30.9Very low27.7Very low152 Ų152150.8 Ų150.880%0.79678%0.779SS**  -168.9136.7101.5-100.9145.3000112.5
97E26.7Very low27.7Very low162 Ų162147.1 Ų147.176%0.75778%0.778SS**  trans12.1134.3146.4-72.7172179.100120.3
98L29.5Very low27.5Very low136 Ų136150.9 Ų150.971%0.71279%0.787SS**  cis-145.5153.46.5-70.6106.1000113.5
99N27.5Very low27.4Very low143 Ų143149.6 Ų149.677%0.76579%0.788SS**  trans33.3113.4145.7-51.2-9.7000119.4
100Y25.7Very low27Very low223 Ų223151.2 Ų151.288%0.87579%0.79SS**  cis71.1156.710.3-80-42.3000116.8
101P40Very low27.2Very low110 Ų110148.6 Ų148.671%0.71478%0.784SS**  -146-158.8-75.536.6-12.4000115.9
102K23.8Very low27.1Very low172 Ų172147.3 Ų147.375%0.74878%0.781SS**  trans-61.6142.7154.9-63.3178.6178.3-179.10111.5
103L25.7Very low27.1Very low167 Ų167147.6 Ų147.687%0.87478%0.778SS**  165.5161.6119.3-101.6129.4000110.8
104S25.6Very low27.3Very low102 Ų102150 Ų15071%0.71378%0.78SS**  trans-143.8139.5-177.658.30000111.8
105Y25.4Very low27.6Very low213 Ų213150 Ų15084%0.83577%0.773SS**  trans-151.9147.6162.7-111.8-74.1000111.8
106T26.8Very low27.5Very low136 Ų136148.4 Ų148.483%0.83477%0.773SS**  trans49.4118.216648.10000119.1
107T28.1Very low27.4Very low129 Ų129145.9 Ų145.979%0.79177%0.768SS**  trans-115.2135.8163.351.20000110.6
108E26.2Very low27.4Very low199 Ų199143 Ų14393%0.9377%0.766SS**  trans-120.1152.4135.1-78.1-163.6145.200107.9
109C22.3Very low27.3Very low115 Ų115143.7 Ų143.778%0.77777%0.769SS**  trans-86.8140.7-154.1-57.60000114.5
110N25Very low27.1Very low157 Ų157143.7 Ų143.784%0.8477%0.769SS**  -162.1152.3123.9-96.6-38.9000112
111S26.8Very low27.5Very low96 Ų96137.6 Ų137.667%0.67176%0.757SS**  trans48.2107.7164.754.80000120.1
112E26.2Very low26.9Very low168 Ų168139.9 Ų139.979%0.78576%0.763SS**  72.5116.1129.3-65166.1179.600121.2
113Q28.7Very low27Very low155 Ų155137.1 Ų137.172%0.72476%0.764SS**  trans59.8136.3142.8-59.6176.2-80.300119.1
114E28.3Very low27.1Very low139 Ų139136.8 Ų136.865%0.6576%0.762SS**  cis-162.9159.12.3-121.4164.6-149.200110.9
115I33.3Very low27.3Very low136 Ų136137 Ų13770%0.69776%0.763SS**  trans5891.8154.6-58159.7000116.8
116S25.1Very low27.4Very low106 Ų106136.7 Ų136.774%0.74177%0.767SS**  44.7136.685.673.90000116.2
117S29.6Very low27.5Very low99 Ų99133.7 Ų133.769%0.69276%0.763SS**  cis-161.3148.819.848.20000108.8
118S26.4Very low27.6Very low102 Ų102135.5 Ų135.571%0.71377%0.767SS**  62.1143.852.982.10000114.6
119L27.5Very low27.6Very low150 Ų150129.9 Ų129.979%0.78575%0.749SS**  cis-165.1179.6-11.7-117.8172.7000111.2
120L22Very low28.4Very low144 Ų144133.6 Ų133.675%0.75476%0.755SS**  trans-149.3154.7163-126.797.4000106.6
121P36Very low28.4Very low95 Ų95131 Ų13162%0.61774%0.741SS**  cis-137.4-155.1-19.635.3-12.3000112.6
122D26.1Very low28.4Very low158 Ų158133.6 Ų133.685%0.84575%0.752SS**  trans79.1158.1150.2-64.5-14000122.4
123C26.4Very low28.5Very low114 Ų114132.2 Ų132.277%0.7775%0.75SS**  trans-108.2137.8-162.8-800000114.5
124L27.9Very low28.5Very low160 Ų160133.1 Ų133.184%0.83875%0.752SS**  trans38.9131.4130.7-62.8167.7000119.2
125S28.9Very low28.5Very low106 Ų106133.2 Ų133.274%0.74176%0.756SS**  cis-165.4156.67.8450000111.9
126K27.3Very low28.2Very low207 Ų207134.5 Ų134.590%0.976%0.764SS**  trans-81.8143.6158.7-81.4-174174.8-179.20109.6
127G29.8Very low28.5Very low73 Ų73136.7 Ų136.775%0.75377%0.768SS**  trans-76.4136.2168.100000112.1
128L29Very low28.3Very low167 Ų167138.8 Ų138.887%0.87477%0.771SS**  trans46.8107.2148.3-75.1158.9000119.5
129S27.2Very low28.5Very low81 Ų81141 Ų14157%0.56678%0.775SS**  trans72.4140.4142-100.40000118.4L131S129-L131 VanDerWaalsContact C-N 3.29Å
130E39.7Very low28.7Very low192 Ų192140.9 Ų140.990%0.89778%0.78SS**  cis56.936.523.2-150.8173.9-164.500112.7
131L24.4Very low29Very low103 Ų103140.5 Ų140.554%0.53978%0.779SS.*  trans-15238.4167.2-134.9137.5000112.6S129 N133 K134S129-L131 VanDerWaalsContact C-N 3.29Å; L131-N133 WeakPolarHBondContact CD2-O 3.5Å; L131-N133 CarbonylContact O-C 3.55Å; L131-K134 WeakPolarHBondContact CD2-O 3.42Å
132V26.2Very low28.5Very low150 Ų150144.5 Ų144.591%0.90979%0.789SS**  trans-97.581140-177.60000103.6
133N28.9Very low28.7Very low139 Ų139140.6 Ų140.674%0.74379%0.787SS**SBend-99136.357.5-63.6-64.2000117.6L131L131-N133 WeakPolarHBondContact CD2-O 3.5Å; L131-N133 CarbonylContact O-C 3.55Å
134K29.6Very low28.8Very low175 Ų175143.1 Ų143.176%0.76179%0.79SS**SBendtrans71.286.9168-59.4-174.6177.7-176.20116.7L131L131-K134 WeakPolarHBondContact CD2-O 3.42Å
135L27.6Very low29Very low141 Ų141140.4 Ų140.474%0.73878%0.783SS**  -161.7119.461.3-84.3162.1000111
136N27.4Very low29Very low163 Ų163142.3 Ų142.387%0.87278%0.784SS**SBendtrans-15781.6150-130.7-9.5000108.2
137N30Very low28.8Very low152 Ų152140.9 Ų140.981%0.81378%0.781SS**  trans-177.867.4163.7-98.4-14.5000108.7N139N137-N139 PolarHBondContact O-N 3.44Å
138D25.9Very low28.7Very low143 Ų143142.4 Ų142.477%0.76578%0.78SS**  trans-71.3110.8155.8-72.3-45.2000107.5
139N29.9Very low28.7Very low148 Ų148142.8 Ų142.879%0.79178%0.778SS**  trans-174.682.9164.2-99.2-44.5000110.7N137N137-N139 PolarHBondContact O-N 3.44Å
140T33.5Very low28.5Very low147 Ų147144.4 Ų144.490%0.90279%0.787SS**  -175.2130.9118.621.10000111.5
141D27.3Very low28Very low137 Ų137145.2 Ų145.273%0.73378%0.784SS**  trans-76.5160.6179-85.8-55.4000114.5
142H26.7Very low28.2Very low179 Ų179148.5 Ų148.583%0.82980%0.796SS**  trans45.4113.5147.1-57.7-29.2000120.3
143G28.9Very low28.4Very low76 Ų76145.5 Ų145.578%0.78478%0.782SS**  trans-132.14.6-175.700000119.6
144I28Very low28.5Very low166 Ų166146 Ų14685%0.85178%0.784SS**  trans70.2151170.1-67.4174.2000116.3
145P32.5Very low28.5Very low104 Ų104145.3 Ų145.368%0.67578%0.784SS**  trans-114.6173.5-170.842.4-32.3000115.4
146N29.2Very low28.6Very low145 Ų145145.1 Ų145.178%0.77578%0.783SS**  trans-165.3129147.6-87.1-36.4000107.3
147Q24.1Very low28.5Very low178 Ų178141.9 Ų141.983%0.83277%0.773SS**  71.499.564.5-71.5-162.35.100115.6
148S27.8Very low28.4Very low105 Ų105142 Ų14273%0.73477%0.774SS**  trans-179.7152.9134.232.30000111.5
149E28.9Very low28.3Very low175 Ų175140.9 Ų140.982%0.81878%0.776SS**  trans29.3117.2159.9-68.5128.7-129.100120.2
150C22.7Very low28Very low114 Ų114140.5 Ų140.577%0.7777%0.773SS**  66.7107.552.3-56.50000115.5
151Y28.2Very low27.6Very low210 Ų210139.1 Ų139.182%0.82477%0.765SS**  177.5141.1120.2-110-89.1000110.7
152E29.2Very low27.5Very low171 Ų171138.9 Ų138.980%0.79977%0.769SS**  trans56.4145.4162.8-74.8158.2-151.700119.9
153S31Very low27.6Very low88 Ų88137.9 Ų137.962%0.61577%0.767SS**  cis-165.7141.8-11.655.10000111.6
154N29.9Very low28Very low148 Ų148139.3 Ų139.379%0.79176%0.763SS**  trans62.7154.5152.7-55.31000120.4
155E29.6Very low27.9Very low161 Ų161135.9 Ų135.975%0.75275%0.754SS**  cis-158.8177.1-31.7-109.3-157.1141.500110.5
156L29.6Very low27.6Very low137 Ų137136.9 Ų136.972%0.71776%0.758SS**  trans-21.2143.6171.8-77.769.3000118.6
157S26.6Very low27.5Very low96 Ų96136.9 Ų136.967%0.67176%0.758SS**  cis97.9133.438.288.10000115.5
158N27.5Very low27.6Very low155 Ų155133.3 Ų133.383%0.82974%0.744SS**  trans8.2122.2165.5-63.4-10.5000120
159C23Very low27.9Very low119 Ų119136 Ų13680%0.80475%0.748SS**  176.6165.9118.5-102.80000115.4
160L23.9Very low27.8Very low139 Ų139134.6 Ų134.673%0.72874%0.74SS**  trans25.1125.2149.7-87.772.9000122.5
161T24.4Very low27.9Very low118 Ų118134 Ų13472%0.72473%0.733SS**  49.6165.5129.564.10000123.3
162T25.8Very low27.9Very low133 Ų133128.5 Ų128.582%0.81673%0.725SS**  trans7992.515820.30000120.2
163I30Very low27.7Very low157 Ų157129.3 Ų129.381%0.80573%0.726SS**  trans-42.2153.2131.1-71.7162.1000110.7
164P35.3Very low27.4Very low107 Ų107130 Ų13070%0.69573%0.727SS**  cis-141.6-165.427.728.8-2.4000117.6
165S26.1Very low27.1Very low94 Ų94129.7 Ų129.766%0.65773%0.726SS**  trans75.4121149.545.60000118.7
166T26.4Very low26.9Very low125 Ų125126.7 Ų126.777%0.76772%0.722SS**  cis72.4114.948.570.40000115.4
167L28.2Very low26.6Very low145 Ų145128.8 Ų128.876%0.75973%0.728SS**  -177145.6121.7-121.168.4000113.6
168N26.2Very low26.5Very low103 Ų103130 Ų13055%0.55173%0.731SS**  trans37.9140.2140.9-61.3-8.2000123.1F170N168-F170 HydrophobicContact CB-CD2 4.05Å; N168-F170 HydrophobicContact CB-CE2 4.31Å; N168-F170 WeakPolarHBondContact ND2-CE2 3.2Å
169I32.9Very low26.3Very low160 Ų160129 Ų12982%0.82173%0.726SS**  -163.6116.9102.3-96.6153.1000107.9
170F26.7Very low26.5Very low146 Ų146130.3 Ų130.364%0.6473%0.725SS**  68.5134.277.3-89-122.5000113.1N168N168-F170 HydrophobicContact CB-CD2 4.05Å; N168-F170 HydrophobicContact CB-CE2 4.31Å; N168-F170 WeakPolarHBondContact ND2-CE2 3.2Å
171T25.8Very low26.9Very low103 Ų103131.5 Ų131.563%0.63272%0.724SS**  cis-170178.9-7.48.80000109.1
172S26.8Very low27.4Very low94 Ų94131.2 Ų131.266%0.65772%0.722SS**  trans72.9145.2148.965.30000119.2
173F25.3Very low27.7Very low187 Ų187131.8 Ų131.882%0.8272%0.72SS**  cis-158.3152.8-12-116.1-42000112.1
174T24.5Very low27.8Very low103 Ų103129 Ų12963%0.63272%0.715SS**  trans55.5122.4148.552.70000122.9
175N24.3Very low27.5Very low142 Ų142129.7 Ų129.776%0.75971%0.712SS**  92.9132.9124.7-65.42.4000122.7
176S25.4Very low27.5Very low97 Ų97131.4 Ų131.468%0.67871%0.714SS**  trans55.595.9143.4620000120
177E24.6Very low27.5Very low181 Ų181130.8 Ų130.885%0.84671%0.714SS**  57.6126.9110.3-70-176.2137.900121.7
178V23.1Very low27.3Very low122 Ų122129.2 Ų129.274%0.73972%0.716SS**  trans83.295.7144.8179.10000119.4
179N23.4Very low27.2Very low134 Ų134131.2 Ų131.272%0.71773%0.726SS**  trans63.1119132.4-64.9-21.9000123.5
180N28.3Very low26.7Very low146 Ų146129.2 Ų129.278%0.78173%0.726SS**  56.6113.9128.7-64.4-9.4000121.6
181K32.2Very low27.2Very low164 Ų164133.3 Ų133.371%0.71374%0.738SS**  trans-162.8147.7145.8-109.7169.9-175170.90108.2
182V33.8Very low27.3Very low112 Ų112134 Ų13468%0.67974%0.744SS**SBendcis-135.7146.31.5-134.60000105.6
183N32.5Very low27.3Very low146 Ų146134.8 Ų134.878%0.78175%0.75SS**SBendcis-128.7155.618.7-51.3-52.5000109.8
184S31.2Very low27.4Very low98 Ų98134.2 Ų134.269%0.68576%0.755SS**SBendcis-179.3139.1-14.146.90000106.8
185L29.6Very low27.6Very low121 Ų121133.7 Ų133.763%0.63476%0.755SS**  cis-154.7129.8-3.1-98.4154.5000106.9
186N26.3Very low27.8Very low130 Ų130135.5 Ų135.570%0.69576%0.759SS**  trans56.2130.5164.3-59.72.3000120.2
187S26Very low28.1Very low112 Ų112140.4 Ų140.478%0.78377%0.768SS**  trans67.7135.5155.265.20000120.4
188S24.9Very low28.3Very low113 Ų113136.4 Ų136.479%0.7976%0.76SS**  trans69.7153.1172.379.20000118.6
189N23.1Very low28.4Very low144 Ų144139 Ų13977%0.7776%0.764SS**  trans17.2129156.2-59.3-8.6000122
190C22.4Very low28.4Very low119 Ų119137.7 Ų137.780%0.80477%0.765SS**  trans71.4164.4137.6-66.20000121.4
191Y36.8Very low28.2Very low231 Ų231137.6 Ų137.691%0.90676%0.764SS**  trans-54.1141.5168.5-66.9-102.5000113.5
192P29Very low28Very low117 Ų117136.9 Ų136.976%0.7676%0.763SS**  trans-147.8169.7137.633.7-15.8000114.5
193S27.5Very low27.5Very low111 Ų111136.9 Ų136.978%0.77676%0.759SS**  cis-170.6139.5-32.857.70000110.7
194L25.6Very low27.2Very low176 Ų176137.2 Ų137.292%0.92175%0.75SS**SBendtrans-159.6119.5163-98171000106.2
195S29Very low27.5Very low92 Ų92136.8 Ų136.864%0.64375%0.747SS**SBendcis-153.3141.4-5.358.40000111
196H28.7Very low27.5Very low180 Ų180136 Ų13683%0.83375%0.749SS**  trans55.681.9165.4-64.8-71.4000119.6
197K31.3Very low27.5Very low200 Ų200137.2 Ų137.287%0.8775%0.754SS**  trans161.192.6134.9-89.8165.9-178.4-177.50108.4
198S29.3Very low27.6Very low97 Ų97136.6 Ų136.668%0.67875%0.75SS**  cis65.4129.345.288.40000114.3
199H25Very low27.8Very low177 Ų177136.6 Ų136.682%0.81975%0.745SS**  cis-169.9128.6-14.6-117.5-67.3000106.2
200S22.9Very low28.1Very low105 Ų105136.4 Ų136.473%0.73474%0.738SS**SBendtrans61154.2-166.312.40000114
201D24.1Very low28.5Very low144 Ų144139.8 Ų139.877%0.7774%0.735SS**SBendtrans58.8174.1175.3-49.8-35.6000117.8
202H28.4Very low28.2Very low149 Ų149133.8 Ų133.869%0.6972%0.718SS**  trans42.1112.3156.1-66.5-59.5000122.4
203L24.4Very low28.1Very low113 Ų113132.6 Ų132.659%0.59271%0.706SS**  53.1140.5113.3-67.2174.9000122.1
204Y26.1Very low28.3Very low152 Ų152135 Ų13560%0.59670%0.704SS**  trans72.6137.4156.6-81.9-134.4000114.9
205S36.2Very low28.4Very low89 Ų89132 Ų13262%0.62269%0.693SS**  cis69155.733.899.20000114.8
206P30.7Very low28.2Very low104 Ų104133.2 Ų133.268%0.67570%0.702SS**SBendtrans-136.2128.2152.333.6-18.7000113.4
207I25.6Very low28.1Very low157 Ų157129.2 Ų129.281%0.80569%0.694SS**SBendtrans68.8118.2155.5-51159.4000113.9
208S27.8Very low27.9Very low98 Ų98127.8 Ų127.869%0.68569%0.69SS**SBendcis-157.6146.87.442.50000108.5
209T30.3Very low27.8Very low114 Ų114127.2 Ų127.270%0.69969%0.686SS**  cis-165139.38.28.50000110.7
210K29.2Very low28.3Very low140 Ų140124 Ų12461%0.60968%0.683SS**  trans49.8142.3136.8-68174.7171.2-174.20120.5
211Y30.4Very low28.5Very low190 Ų190126.5 Ų126.575%0.74569%0.689SS**  cis-149.3150.218.1-121.3-60.8000112.8
212N29.7Very low29.3Very low105 Ų105127.4 Ų127.456%0.56169%0.693SS**  trans-29.8158.5171.3-64.266.4000118.6
213D28.7Very low29.1Very low92 Ų92126.6 Ų126.649%0.49270%0.698SS.*  cis-152-162.5-6.7-97.7-21.1000108.7
214H31Very low29.1Very low161 Ų161128.6 Ų128.675%0.74571%0.71SS**  cis-161.7162.739.6-79.9-68.6000109.4
215T27.5Very low29.1Very low112 Ų112129.1 Ų129.169%0.68772%0.718SS**  cis78.9126.929.371.80000116
216S25.1Very low28.6Very low118 Ų118129.8 Ų129.883%0.82572%0.722SS**  cis-157-175.92.365.50000113.9
217S26.5Very low28.3Very low96 Ų96132 Ų13267%0.67173%0.728SS**  trans-91.1-171.8171.145.80000111.8
218H27.6Very low28.2Very low170 Ų170131.4 Ų131.479%0.78773%0.726SS**  cis-161.9172.832.5-136.6-77.9000115.2
219S26.2Very low28.1Very low86 Ų86134.2 Ų134.260%0.60173%0.732SS**  trans-24.7133.4175.652.90000124.3
220S36.7Very low28Very low108 Ų108133.3 Ų133.376%0.75573%0.73SS**  trans57134.9135.666.40000123.5
221N26.2Very low27.9Very low158 Ų158135.5 Ų135.585%0.84574%0.739SS**  trans67.492.5167.1-73.88.9000118.1
222L41.1Very low27.7Very low163 Ų163133 Ų13385%0.85374%0.736SS**  trans-39.5142.9152.5-50.9100.8000113.1
223T24.6Very low27.7Very low132 Ų132136 Ų13681%0.8175%0.745SS**  -177.7126.8102.326.70000111.7
224N23.5Very low27.7Very low155 Ų155136.9 Ų136.983%0.82975%0.749SS**  trans-167.2121.9152.8-106.99.7000105.4
225E25.5Very low27.3Very low164 Ų164136.4 Ų136.477%0.76675%0.751SS**SBendcis-140.5175.7-4.6-72-179.896.400109.8
226S27.7Very low27.2Very low103 Ų103137.1 Ų137.172%0.7275%0.751SS**  trans42.9104.9159.5580000118
227L23Very low27.2Very low151 Ų151138.5 Ų138.579%0.79174%0.744SS**  37.3126.286.3-83.482.5000115.5
228N23.5Very low27.1Very low143 Ų143142.5 Ų142.577%0.76575%0.746SS**  trans51.3112.1152.7-68.4-26.3000118.5
229I27Very low27Very low158 Ų158141.6 Ų141.681%0.8174%0.742SS**  178.7144.9111.1-92.9154.2000110.5
230S27.5Very low27.1Very low95 Ų95142.3 Ų142.366%0.66474%0.743SS**  trans69.2135.8171.1-70.60000116.1
231K26.8Very low26.5Very low185 Ų185144.7 Ų144.780%0.80474%0.744SS**  6613351.8-63.4174.7178.6-177.90111.1
232M25.8Very low26.5Very low138 Ų138146.3 Ų146.368%0.6874%0.743SS**  cis-153.1158.27.4-102.9134.860.200106.4
233F30.2Very low26Very low168 Ų168143.5 Ų143.574%0.73774%0.735SS**  cis-146.2160.115.4-100.8-64000111.6
234N28.2Very low25.9Very low110 Ų110141.7 Ų141.759%0.58873%0.728SS**  trans17.6137.4150.7-65.834.8000120.7D236N234-D236 PolarHBondContact ND2-OD2 2.58Å
235L23.2Very low26Very low151 Ų151143.5 Ų143.579%0.79173%0.729SS**  cis61.584.67.8-138-173.9000115.5
236D26Very low26Very low128 Ų128141.5 Ų141.568%0.68472%0.723SS**  trans-152.8134.9143.4-81.8-54.4000106.5N234N234-D236 PolarHBondContact ND2-OD2 2.58Å
237H23.7Very low26.1Very low147 Ų147142 Ų14268%0.68172%0.718SS**  86.6148.855.9-111.556.8000114.4
238Y25.8Very low26.3Very low179 Ų179142.9 Ų142.970%0.70272%0.715SS**  trans69.9111.7-173.9-69-87.2000115
239E24.8Very low26.4Very low152 Ų152142.1 Ų142.171%0.7171%0.711SS**  83.6143.272.5-79.3-175.3-164.800112.4
240T28Very low26.3Very low100 Ų100142 Ų14261%0.61371%0.712SS**  cis-157.2157.819.3-11.90000112.8
241M25.4Very low26.4Very low159 Ų159144.9 Ų144.978%0.78372%0.718SS**  trans61.6140.6163.6-50.5-56.5178.600118.1
242K24.3Very low26.3Very low191 Ų191144.1 Ų144.183%0.8372%0.717SS**  cis73.3149.630.7-71.4-168.9174.2-178.90115.6
243P30.8Very low26.3Very low105 Ų105146.4 Ų146.468%0.68273%0.726SS**  cis-144.3173-33.439-20.8000115.9
244S22.9Very low26.1Very low94 Ų94141.6 Ų141.666%0.65772%0.724SS**  trans55.8121.914063.20000124.7
245F26Very low26.2Very low192 Ų192142.7 Ų142.784%0.84274%0.735SS**  trans74128.1132.5-83.5-107.7000122.8
246N26.2Very low26.5Very low123 Ų123143.4 Ų143.466%0.65874%0.739SS**  trans64.4149.6151.8-69.135.3000118.9
247D27.9Very low26.6Very low113 Ų113145.8 Ų145.860%0.60475%0.746SS**  cis-160.2149.1-8.9-121.4-30.7000108.5
248K27.6Very low26.8Very low169 Ų169145.8 Ų145.874%0.73575%0.75SS**  trans65.4149.7159.6-65.2169.5-170.9171.90117.6
249D27Very low26.9Very low128 Ų128144.9 Ų144.968%0.68475%0.752SS**  cis-151.2149.8-5.1-105-32.4000110.2
250L24.4Very low27.1Very low155 Ų155143 Ų14381%0.81275%0.751SS**  trans66.2158.3166.9-8674.3000120.8
251I28.5Very low26.9Very low156 Ų156143.2 Ų143.280%0.876%0.757SS**  trans81.695.6168.3-46.9-171000118.9
252H24.8Very low26.9Very low168 Ų168145.4 Ų145.478%0.77876%0.762SS**  trans56.2140.1131.3-115.4-91.4000124.5
253E26Very low26.9Very low186 Ų186145.6 Ų145.687%0.86977%0.766SS**  trans71132.4163.4-56-140.3135.600120.8
254G27.2Very low26.6Very low68 Ų68150 Ų15070%0.70177%0.774SS**  trans132.1120.4178.500000112
255T29.4Very low26.7Very low132 Ų132151.6 Ų151.681%0.8178%0.78SS**  cis-159.5168.4-5.8-24.70000110.4
256L30.5Very low26.7Very low167 Ų167151.7 Ų151.787%0.87478%0.78SS**  trans73133.1170.6-93.672.3000118.5
257Q28.3Very low26.7Very low178 Ų178152.2 Ų152.283%0.83278%0.783SS**  trans-92.3178.8179.6-57.2161.5-50.700111.2
258L26.8Very low26.6Very low146 Ų146156.5 Ų156.576%0.76480%0.796SS**  trans79.591.9158.6-64.1168.8000118.8
259Q27.3Very low26.5Very low161 Ų161154.6 Ų154.675%0.75280%0.799SS**  109.2135.8106.1-163.8167.1-2.200118.5
260T29.2Very low26.6Very low113 Ų113153.9 Ų153.969%0.69380%0.799SS**  trans65.596.7165.234.50000120.3
261S23.6Very low26.8Very low104 Ų104153.4 Ų153.473%0.72780%0.797SS**  60.2149.2114.5-50.70000122.8
262F27.2Very low26.7Very low205 Ų205154.7 Ų154.790%0.89980%0.797SS**  trans75.482.7170.1-75.3-82.8000118.5
263E22.7Very low26.9Very low194 Ų194155.5 Ų155.591%0.90780%0.798SS**  trans-97.1116.1141.2-84.3-147.7136.400110.9
264K24.6Very low27Very low199 Ų199153.4 Ų153.487%0.86579%0.792SS**  trans-178.4148.5140.6-104.3168.7-176.9178.20109.9
265V25.4Very low27.1Very low126 Ų126156.2 Ų156.276%0.76479%0.791SS**  trans68.684173.1-165.40000116.9
266K27.2Very low27.1Very low194 Ų194157.4 Ų157.484%0.84379%0.787SS**  -166.7108.8113.8-108.5165.5-174171.90115
267N24.9Very low27Very low135 Ų135154.9 Ų154.972%0.72277%0.774SS**  trans9.4136.2135.5-50.6-6.7000118.7
268F26.6Very low27Very low203 Ų203153.2 Ų153.289%0.8977%0.771SS**  -147.4137125.7-121.1-74.2000113.4
269T25.1Very low27Very low128 Ų128152.8 Ų152.879%0.78577%0.765SS**  trans-108.3121.7177.9290000111.7
270T29.3Very low27Very low113 Ų113154 Ų15469%0.69376%0.764SS**  trans-154.8136164.330.60000106.9
271N28.3Very low26.8Very low145 Ų145154.1 Ų154.178%0.77577%0.765SS**  cis-123.215020.3-54.7-70.5000109.4
272K26Very low26.9Very low184 Ų184157.7 Ų157.780%0.877%0.77SS**  cis59.49610.2-161.7172.2-172.7174.20117.4
273K29.1Very low27Very low184 Ų184153.7 Ų153.780%0.877%0.765SS**  trans161.2138149-90.9170.5177.8179.90106.8
274L28.3Very low27Very low142 Ų142149.5 Ų149.574%0.74376%0.757SS**  cis-154.9178.2-1.9-92.3153.5000106.6
275L29.2Very low27.1Very low127 Ų127146.3 Ų146.367%0.66575%0.754SS**  cis-157.9140.315.3-153.9122.1000108.6
276H29.5Very low27Very low157 Ų157144.3 Ų144.373%0.72775%0.745SS**  trans33134.2163.5-63-50.7000122
277N28.9Very low26.8Very low114 Ų114143 Ų14361%0.6175%0.746SS**  cis-145.4-136.31.3-140.244.9000111.2
278D27Very low26.8Very low144 Ų144141.6 Ų141.677%0.7775%0.748SS**  cis-154.5-179.57.9-132.9-18.2000114.6
279E27.8Very low26.8Very low137 Ų137136.5 Ų136.564%0.6474%0.743SS**  trans-97.7167.9-174.8-77.6173.1-177.900114.4
280Y27.3Very low26.8Very low187 Ų187139.7 Ų139.773%0.73375%0.749SS**  cis-161.6155.20.2-119-37.4000114
281T25.7Very low26.5Very low115 Ų115143 Ų14371%0.70676%0.757SS**  trans42.9130.1150.951.70000126
282E24.7Very low26.3Very low179 Ų179143.8 Ų143.884%0.83676%0.759SS**  17.7161.6105.7-79.2-170.4-167.600121.5
283P30Very low26.3Very low120 Ų120140.5 Ų140.578%0.77975%0.754SS**  cis-146.7-154.733.445-22.9000117.3
284S23.1Very low26.2Very low106 Ų106140.5 Ų140.574%0.74175%0.754SS**  trans-106.2-147.7-174.762.50000114
285V25.2Very low26.1Very low132 Ų132144.9 Ų144.980%0.876%0.761SS**  trans83.2133175.3179.40000115.1
286S23.6Very low25.9Very low85 Ų85146.5 Ų146.559%0.59476%0.764SS**  cis-174.9160.6-13.3590000113.5
287L24.2Very low25.7Very low165 Ų165146.1 Ų146.186%0.86477%0.766SS**  trans63.8157.4144.7-73.7164.1000118.7
288S24.7Very low25.5Very low107 Ų107148 Ų14875%0.74878%0.775SS**  cis-157.2146-1.747.80000111.7
289A25.6Very low25.3Very low95 Ų95148.4 Ų148.479%0.78577%0.772SS**  trans-164.2130.4144.200000111.6
290E25.2Very low25.2Very low196 Ų196146 Ų14692%0.91677%0.77SS**  trans46104.3157.2-59.8-173.5137.300120.7
291E22.2Very low25Very low183 Ų183147 Ų14786%0.85577%0.774SS**  trans-72.6-170.8149.6-60.6174.387.900111.5
292I25.6Very low25Very low160 Ų160146.5 Ų146.582%0.82177%0.771SS**  trans110.2130.5155.9-58.6169.5000116.7
293V26.4Very low24.9Very low115 Ų115145.1 Ų145.170%0.69777%0.769SS**  trans79.896.8163.7161.20000120
294K25.8Very low24.9Very low185 Ų185148.8 Ų148.880%0.80477%0.773SS**  trans69.8117.4135.4-62.1179.8-174.11750121.3
295R25.7Very low24.9Very low234 Ų234150.7 Ų150.788%0.88378%0.775SS**SBendtrans-69.3131.1136.5-81.3-178.6173.1166-1.9110.7
296H25.3Very low25Very low160 Ų160152 Ų15274%0.74178%0.777SS**  trans73.3162.9142.1-72.459.1000120.8
297I26.2Very low25.1Very low149 Ų149156.3 Ų156.376%0.76479%0.788SS**  trans76.6123.4-173.5-54175.1000110.9
298I23.5Very low25.1Very low154 Ų154156.9 Ų156.979%0.7979%0.786SS**  cis-84.4111.931.4-54.9179.3000115.1S300I298-S300 WeakPolarHBondContact CG2-OG 3.33Å
299H24.7Very low25.2Very low153 Ų153157.1 Ų157.171%0.70878%0.779SS**  trans-106.3123142.8-154.4-74.5000104.9
300S24.8Very low25.2Very low86 Ų86160.6 Ų160.660%0.60178%0.776SS**  trans-140.2123.2170.652.70000107.3I298I298-S300 WeakPolarHBondContact CG2-OG 3.33Å
301Y23.3Very low25.2Very low207 Ų207157.3 Ų157.381%0.81277%0.77SS**PPolyproline II helixcis-100.6135.218.9-86.8-106.7000115.4
302T25.4Very low25.5Very low105 Ų105154.1 Ų154.164%0.64476%0.763SS**PPolyproline II helixtrans-79.2131.814149.70000108K304T302-K304 PolarHBondContact O-N 3.12Å
303N23.3Very low25.6Very low150 Ų150151 Ų15180%0.80276%0.755SS**PPolyproline II helixtrans-65.1126.9163.8-84.9-3.8000109.4
304K28.8Very low25.6Very low197 Ų197154 Ų15486%0.85776%0.759SS**  trans-119.3140.4145.9-89.5-167.2170.8-172.30107.5T302T302-K304 PolarHBondContact O-N 3.12Å
305N23.7Very low25.5Very low147 Ų147151.8 Ų151.879%0.78676%0.755SS**  trans-74.1143.8-178.8-44.6-36.2000109.2
306D26.4Very low25.6Very low159 Ų159147.2 Ų147.285%0.8575%0.748SS**  trans-122.2169141.3-84.8-46.6000108.7
307E26.8Very low25.6Very low175 Ų175149 Ų14982%0.81875%0.75SS**  trans-67139.2-157.6-66.5167.6144.200113.6
308Q23.2Very low25.9Very low177 Ų177147.6 Ų147.683%0.82775%0.75SS**  34.3109.4101.7-55.5-174.63.300112.4
309D26.6Very low25.9Very low113 Ų113146.3 Ų146.360%0.60475%0.75SS**  -167160.578.6-126.7-15000115
310K26.6Very low26Very low167 Ų167144.3 Ų144.373%0.72675%0.753SS**  trans32140.6141.1-68.3165.8-17186.90119.8
311V25.7Very low25.9Very low127 Ų127145.7 Ų145.777%0.7776%0.763SS**  cis-175.51507.1116.30000105.5
312V27.6Very low26.1Very low117 Ų117143.9 Ų143.971%0.70977%0.765SS**  -168.2114.476.7-178.20000111.2
313S27Very low26.2Very low94 Ų94145.2 Ų145.266%0.65777%0.773SS**  trans64.1170.2149.291.30000120.3
314F26.6Very low26.2Very low179 Ų179143 Ų14379%0.78577%0.769SS**  cis-143.1162.5-5-117.9-46.1000110.8
315L25Very low26Very low137 Ų137144 Ų14472%0.71777%0.769SS**  trans-27.1157.8165.9-62.6162.1000117.1
316N28Very low26.1Very low139 Ų139143 Ų14374%0.74376%0.764SS**  cis-161.615924.5-138.6-9.6000115.5
317Y23.8Very low26.2Very low196 Ų196143.3 Ų143.377%0.76976%0.76SS**  trans-81.3164.6153.6-103.4-90.8000109.1
318P32.5Very low26Very low120 Ų120141.4 Ų141.478%0.77975%0.754SS**  -151147.793.937.5-19000116.9
319T23.6Very low26.2Very low127 Ų127138.3 Ų138.378%0.77975%0.748SS**  trans-84.1143.2149.449.40000110.1
320S27.4Very low26.2Very low111 Ų111138.3 Ų138.378%0.77675%0.752SS**  trans-151112.7162.360.80000112.8
321S22.6Very low26.2Very low115 Ų115135.8 Ų135.880%0.80475%0.751SS**  trans-77.5145164.351.60000111.3
322I27.9Very low26.3Very low170 Ų170136.6 Ų136.687%0.87275%0.75SS**  trans-148.3148.1156.1-103147.3000111.4
323V27.3Very low26.2Very low133 Ų133137.6 Ų137.681%0.80675%0.751SS**  trans-58.6154.7-171.7-172.60000115.5
324S22.8Very low26.3Very low102 Ų102139.3 Ų139.371%0.71375%0.753SS**  trans-68.7157172.2-37.70000114.9
325Y26.1Very low26.3Very low220 Ų220138.6 Ų138.686%0.86375%0.751SS**  -171.6164.5118.2-114.3-77.3000112.1
326D24.3Very low26.4Very low125 Ų125137.8 Ų137.867%0.66875%0.752SS**  trans-65164.7-175.1-51.3-85.9000114.2
327H27.9Very low26.4Very low166 Ų166137 Ų13777%0.76976%0.757SS**  -171.517556.9-130.1-2.3000115
328L24.5Very low26.5Very low134 Ų134138 Ų13870%0.70276%0.76SS**  trans-26.8159.1162.9-58.9166.8000117.2
329T26.5Very low26.4Very low112 Ų112139.9 Ų139.969%0.68776%0.762SS**  cis-166.9160.922-9.80000112.8
330T25.9Very low26.8Very low113 Ų113139.9 Ų139.969%0.69375%0.753SS**  trans12.1148.9144.653.70000122.3
331T27.8Very low27Very low115 Ų115141.3 Ų141.371%0.70675%0.745SS**  cis-169.3160.519.42.50000114.4
332L27Very low27.3Very low143 Ų143141 Ų14175%0.74973%0.734SS**  trans64.1113.1144.7-67.3161.3000124.1
333L26.6Very low27.3Very low139 Ų139140.2 Ų140.273%0.72873%0.727SS**  79.4137.6129.3-68.9174.8000125.4
334N28.6Very low27.4Very low130 Ų130139.9 Ų139.970%0.69573%0.725SS**  trans79.497.8143.7-68.3-11.1000123.6
335H26.1Very low27.6Very low164 Ų164139.7 Ų139.776%0.75972%0.724SS**  62.4100.9120.5-93.4-78.5000123.2
336T27.9Very low27.6Very low119 Ų119134.4 Ų134.473%0.7372%0.719SS**  45.6118.6123.860.40000121.7
337S26.9Very low27.7Very low123 Ų123133.2 Ų133.286%0.8672%0.72SS**  trans-162.5175.7147.456.20000113
338W26.3Very low27.7Very low218 Ų218130.4 Ų130.483%0.82672%0.719SS**  -159.4118.3-81.6-146.358.1000112.8
339I30.5Very low27.9Very low158 Ų158128.8 Ų128.881%0.8172%0.72SS**  trans-159.3131.8169.8-98.5145.9000108.6
340H32.6Very low27.9Very low128 Ų128132.7 Ų132.759%0.59373%0.727SS**  cis-177.3170.2-14.7-98.3-6.6000105.8
341K31.3Very low28.1Very low140 Ų140136 Ų13661%0.60973%0.732SS**  cis-173.5169.8-12.2-101.9-178.7151.1-720105.5
342D29.7Very low28.1Very low108 Ų108141.3 Ų141.358%0.57874%0.739SS**  cis-153.2169.2-2.7-101.3-21.7000106.5
343E26.7Very low28.1Very low155 Ų155141.8 Ų141.872%0.72474%0.742SS**  cis70.214343-80.2-109.1-114.100114.5
344T29.9Very low28.3Very low126 Ų126143.6 Ų143.677%0.77375%0.747SS**  cis-120-130.113.263.10000114.6
345S26.4Very low28.3Very low97 Ų97142 Ų14268%0.67875%0.747SS**  trans-161.7-156.2-166.4660000113.8
346S25.9Very low28.4Very low109 Ų109141.7 Ų141.776%0.76275%0.749SS**  trans92.2150.816182.70000119.8
347S27.1Very low28.5Very low100 Ų100140.7 Ų140.770%0.69975%0.747SS**  cis-174147.6-19.450.20000116
348S28Very low28.6Very low107 Ų107141.1 Ų141.175%0.74875%0.745SS**  trans66.3146.6153.777.10000120.3
349S28.8Very low28.7Very low101 Ų101139.1 Ų139.171%0.70675%0.75SS**  -171.5149.758.3-84.20000117.1
350F25.1Very low28.7Very low194 Ų194140.9 Ų140.985%0.85175%0.751SS**  trans55115.3147.9-91.6-89.6000124.9
351K30.6Very low28.4Very low182 Ų182143.6 Ų143.679%0.79176%0.764SS**  -179140.198.8-108171.3-177.7164.40117.7
352R28.2Very low28.2Very low227 Ų227141.5 Ų141.586%0.85777%0.767SS**  trans80.2142.7156.5-76.4-172.5168.2127.8-1.5121.2
353N27.9Very low28Very low152 Ų152147.4 Ų147.481%0.81378%0.781SS**  trans-124.9163-163.6-44.3-26.7000111.8
354Q29.8Very low27.9Very low178 Ų178147.6 Ų147.683%0.83279%0.787SS**  166.1113.4125.8-93174.8-14.400109.7
355S29.3Very low27.9Very low97 Ų97152.1 Ų152.168%0.67880%0.795SS**  75.314080.576.60000114.1
356L28.3Very low27.8Very low156 Ų156158 Ų15882%0.81780%0.803SS**  cis-162.9173.25.9-15471.7000112.1
357S30.2Very low28Very low98 Ų98162 Ų16269%0.68581%0.807SS**  trans61.5107.7144.959.10000123.7
358T27.5Very low28Very low133 Ų133164.3 Ų164.382%0.81681%0.809SS**  trans-17.4140.214352.30000121.9
359L28Very low27.9Very low176 Ų176167 Ų16792%0.92182%0.815SS**  -170.6168.5120.7-109.5166.8000113
360K30.7Very low27.8Very low195 Ų195169 Ų16985%0.84882%0.818SS**  trans-99.2133.2-178.9-66.5176.9178.4175.60111.9
361Q26.8Very low28Very low185 Ų185164.6 Ų164.686%0.86481%0.809SS**  175.1162127.3-97.8-176.535.600115.1
362S27.1Very low27.7Very low95 Ų95166 Ų16666%0.66481%0.811SS**  trans18.6135.4158.460.50000124.9
363R26.1Very low27.6Very low233 Ų233160.8 Ų160.888%0.87981%0.809SS**  trans50.4136.1138.7-72.8-177.9172.6164.1-0.6121.7
364L24.7Very low27.6Very low159 Ų159157.6 Ų157.683%0.83280%0.799SS**  trans57.882.7152-85.7143.3000117.7R366L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 2.91Å
365K28.3Very low27.3Very low220 Ų220160 Ų16096%0.95780%0.802SS**  trans-69.482.2159.1-87.3-168.6173.8-178.50112
366R26.3Very low27.2Very low222 Ų222160.2 Ų160.284%0.83880%0.8SS**SBendtrans-15278.9149.9-153.1-171.4-61.8-1752.8113.3L364L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 2.91Å
367K28.4Very low27.3Very low193 Ų193159.9 Ų159.984%0.83980%0.797SS**  trans56.2116.6160.3-55.6-173.5175-167.80117.1
368I28Very low27Very low147 Ų147162 Ų16275%0.75480%0.8SS**  176.1120.1105.8-85.6151.8000106.7
369D25.2Very low27Very low165 Ų165163.7 Ų163.788%0.88280%0.799SS**  trans-114.194.1152.4-71.2-55.9000105.5
370D28.2Very low27Very low142 Ų142159 Ų15976%0.75979%0.793SS**  -177.6149.4121.5-99.6-29.6000110.2
371P28.7Very low26.8Very low102 Ų102156.5 Ų156.566%0.66279%0.794SS**  trans-88.7150-170.135.3-35.9000113.8
372Y23.3Very low26.8Very low210 Ų210158.8 Ų158.882%0.82480%0.795SS**  trans61.3103.9171.4-67.9-79.3000118.2
373S26.8Very low26.7Very low118 Ų118160.8 Ų160.883%0.82580%0.798SS**SBend-97125.9111.162.20000109
374S27.1Very low26.9Very low86 Ų86155.3 Ų155.360%0.60179%0.793SS**  trans-11.4119.9174.253.80000118.5
375Y23.5Very low27Very low227 Ų227152.1 Ų152.189%0.8978%0.783SS**  trans-76118.6138.5-113.6-78.9000107.6
376T28Very low26.8Very low103 Ų103152.4 Ų152.463%0.63278%0.778SS**  trans-104.9127.1167.215.80000110.4
377I31Very low26.7Very low149 Ų149149.9 Ų149.976%0.76478%0.776SS**  trans73.6121.3151.9-59166.5000116.5H379I377-H379 WeakPolarHBondContact CG2-O 3.42Å
378N23.9Very low26.5Very low141 Ų141146.7 Ų146.775%0.75477%0.767SS**SBendtrans-97.1153.9160-1542.4000108.2
379H27.6Very low26.4Very low170 Ų170143.1 Ų143.179%0.78776%0.755SS**  trans68.4140-170.2-51.6-90.1000115.7I377I377-H379 WeakPolarHBondContact CG2-O 3.42Å
380G26.4Very low26.3Very low77 Ų77143.7 Ų143.779%0.79476%0.758SS**  trans144.161179.600000113.9R382G380-R382 PolarHBondContact O-N 3.2Å
381T26.5Very low26.2Very low142 Ų142144.5 Ų144.587%0.87176%0.759SS**  trans-56.797.7176.437.50000113.6
382R27.2Very low26.1Very low233 Ų233146 Ų14688%0.87976%0.762SS**  trans-165.4102.1144.8-110.3158.8-172.6171.62.2115.5G380G380-R382 PolarHBondContact O-N 3.2Å
383N26Very low26.3Very low138 Ų138142.6 Ų142.674%0.73875%0.753SS**  trans-17.6128.4131.8-93.5-21.6000115.2
384P29.2Very low26.4Very low118 Ų118142.9 Ų142.977%0.76675%0.745SS**  -72.399.1110.131.9-27000107.8
385C26.6Very low26.3Very low92 Ų92147.4 Ų147.462%0.62276%0.755SS**  698693.9-67.90000112.4Q387C385-Q387 PolarHBondContact O-N 2.74Å
386R25.8Very low26.6Very low226 Ų226143.1 Ų143.185%0.85375%0.746SS**  trans-59.3110.7130.9-97.3-177.8165.9-178.2-4.1107.4
387Q23.5Very low26.7Very low169 Ų169145.5 Ų145.579%0.7975%0.75SS**  trans-119.9119.3144.7-87.6-175.5-28.800105.5C385C385-Q387 PolarHBondContact O-N 2.74Å
388L23.4Very low26.7Very low126 Ų126146.1 Ų146.166%0.6675%0.749SS**  cis65124.716.6-139175.2000112.3
389S26.4Very low26.9Very low72 Ų72142.6 Ų142.650%0.50375%0.746SS.*  trans55.2111.6172.754.70000117.3M391S389-M391 VanDerWaalsContact C-N 3.29Å; S389-M391 PolarHBondContact O-N 2.89Å
390N23.3Very low27Very low177 Ų177142.2 Ų142.295%0.94774%0.742SS**  trans-55.6101.7133.3-82.2-12.4000107.6
391M25.9Very low27.2Very low159 Ų159146.5 Ų146.578%0.78374%0.741SS**  trans-137.393.9160.4-85.1-114.4-78.200108.8S389S389-M391 VanDerWaalsContact C-N 3.29Å; S389-M391 PolarHBondContact O-N 2.89Å
392N26.3Very low27.3Very low134 Ų134144 Ų14472%0.71773%0.729SS**  trans-51.2145.7136.3-73.8-39.8000107.9
393Q29Very low27.5Very low137 Ų137139.6 Ų139.664%0.6472%0.721SS**  cis-169.1151.30.9-119.2168.428.500108.2
394N28.9Very low27.8Very low124 Ų124138.8 Ų138.866%0.66372%0.721SS**  trans65.1159.3147.9-58.4-15.6000117.9
395F24.9Very low27.9Very low181 Ų181139.6 Ų139.679%0.79472%0.72SS**  cis-156.1-154.6-36.8-135.2-89.2000106.3
396I29.6Very low28.3Very low137 Ų137140.4 Ų140.470%0.70372%0.722SS**  trans76.897.4173.8-52.8-179.7000111.8
397Q29.2Very low28.7Very low153 Ų153135.6 Ų135.672%0.71572%0.717SS**  78.3152.576.1-69.4163.2-46.400112.4
398E30.3Very low29.1Very low162 Ų162134.9 Ų134.976%0.75772%0.719SS**  cis-143.7157.819.4-156.8172.6-106.300112
399G29.4Very low29.4Very low67 Ų67138 Ų13869%0.69173%0.728SS**  trans-162.6-23.2-171.600000120.1
400K29Very low29.7Very low162 Ų162139.5 Ų139.570%0.70474%0.735SS**  trans63.5121.8174.6-45.9172.3-176.8173.20113.5
401H30.7Very low29.9Very low167 Ų167141.2 Ų141.277%0.77373%0.73SS**  cis-164.1167.548.3-77.2-86.5000108.3
402C29.5Very low29.8Very low91 Ų91139.1 Ų139.162%0.61573%0.726SS**  cis-165.1165.8-6.2-118.90000111.3
403I30.9Very low29.8Very low139 Ų139140 Ų14071%0.71373%0.73SS**  trans60.5115.3142.5-62.8162.8000119.7
404T33Very low29.8Very low121 Ų121140.9 Ų140.974%0.74273%0.734SS**  trans61.9151.5161.256.30000119.7
405D30.5Very low29.6Very low136 Ų136140.2 Ų140.273%0.72773%0.734SS**  cis-176.5179-41.1-114.8-66.9000107.2
406T33.8Very low29.8Very low108 Ų108138 Ų13866%0.66374%0.736SS**  cis-152.2161.35-7.10000110.3
407T34.3Very low29.6Very low125 Ų125139.3 Ų139.377%0.76774%0.739SS**  trans65.5151.8166.666.20000117.6
408N32.2Very low29.6Very low154 Ų154138.9 Ų138.982%0.82474%0.741SS**  cis-146.8-179.20.7-129.2-19.2000113.5
409K29.8Very low29.5Very low193 Ų193134.5 Ų134.584%0.83974%0.739SS**  trans-124-168.6-166.8-92.5-177.7179.7178.50112
410P34.2Very low29.4Very low102 Ų102138.2 Ų138.266%0.66274%0.743SS**  -142.2173.5-50.142.3-25.3000116.8
411Y26Very low29.4Very low214 Ų214138.5 Ų138.584%0.83975%0.747SS**  trans37.9127.1137.7-79.2-108.5000126
412T24.7Very low29.3Very low114 Ų114134.9 Ų134.970%0.69974%0.74SS**  28.7152.212967.20000124.4
413L26.5Very low29Very low152 Ų152138.3 Ų138.380%0.79675%0.75SS**  trans-169144.8137.4-90.4141.1000112.6
414H28.6Very low29.4Very low157 Ų157136.9 Ų136.973%0.72775%0.75SS**  trans52.6127157-71.4-114.9000120.8
415T24.5Very low29.1Very low109 Ų109139.7 Ų139.767%0.66976%0.755SS**  cis76.9117.146.271.30000117
416T28.9Very low28.8Very low135 Ų135137.1 Ų137.183%0.82875%0.747SS**  173.1132.7122.830.20000115.2
417H26.3Very low28.3Very low164 Ų164141.2 Ų141.276%0.75975%0.752SS**  trans36.7141.4138.3-93.3-86.4000126.2
418N29.3Very low27.9Very low145 Ų145143.9 Ų143.978%0.77575%0.754SS**  trans95.5130.3137.7-70.6-17.2000122.8
419G28.1Very low27.5Very low69 Ų69141.4 Ų141.471%0.71174%0.739SS**  trans88.9155.9155.200000116.8
420L27.4Very low27.2Very low146 Ų146138.7 Ų138.776%0.76473%0.734SS**  cis-179.2136.1-27.2-121.8167.6000106.7
421Q28.8Very low26.9Very low168 Ų168142.4 Ų142.479%0.78574%0.74SS**  trans59.7175.3161.1-77.5162.5-21.500118.1
422S27.2Very low26.9Very low90 Ų90136.4 Ų136.463%0.62973%0.725SS**  -170.3114.9-56.956.70000112.6
423I25.1Very low27.1Very low163 Ų163138.8 Ų138.884%0.83673%0.729SS**  trans58.1-173.3156.3-16.9-177.1000116.1
424P37.3Very low27.2Very low110 Ų110137.9 Ų137.971%0.71472%0.724SS**  -118.4-151.9-113.142.9-25.6000115.7
425E27.2Very low27Very low180 Ų180138.4 Ų138.484%0.84173%0.727SS**  trans77.1170.7176.2-64.5-176.5177.300116.7
426S24.6Very low27.4Very low81 Ų81137.7 Ų137.757%0.56672%0.724SS**  -177.1150.3-73.557.40000109.7
427Y23.8Very low27.3Very low194 Ų194137.8 Ų137.876%0.76172%0.719SS**  trans62160-173.5-56.2-89.1000112.7I429Y427-I429 HydrophobicContact CD1-CD1 3.72Å; Y427-I429 HydrophobicContact CD1-CG1 4.33Å; Y427-I429 HydrophobicContact CE1-CD1 4.37Å
428F26Very low27.2Very low182 Ų182136.1 Ų136.180%0.79872%0.715SS**  cis-121.6152.614.9-90.2-115.6000110.1
429I24.1Very low27.2Very low102 Ų102137.3 Ų137.352%0.52372%0.716SS.*  cis82.1118.647.7-68.1174.4000113.3Y427Y427-I429 HydrophobicContact CD1-CD1 3.72Å; Y427-I429 HydrophobicContact CD1-CG1 4.33Å; Y427-I429 HydrophobicContact CE1-CD1 4.37Å
430D22.5Very low27Very low135 Ų135138 Ų13872%0.72271%0.71SS**  trans63.7151.8160-62.6-8.8000117.7
431F27.9Very low26.9Very low180 Ų180137.8 Ų137.879%0.78971%0.71SS**  cis-141.4144.446.4-95.3-100.8000116.5
432T26.5Very low27Very low88 Ų88137.4 Ų137.454%0.5471%0.707SS.*  trans22.6122.1143.659.20000118.1
433H29.7Very low26.9Very low165 Ų165140.2 Ų140.276%0.76472%0.715SS**  -174.2153.178-81.1-67.5000109.9
434D28.1Very low26.9Very low132 Ų132137.4 Ų137.471%0.70671%0.708SS**  cis-160.5-168.1-15.5-140-65000111.5
435H23.8Very low26.2Very low169 Ų169138.7 Ų138.778%0.78271%0.708SS**  trans-94-177.1176.5-106.7-131.4000111.9
436P34Very low26.5Very low93 Ų93138.3 Ų138.360%0.60470%0.704SS**  cis-140.9-158.6-42.135.3-14.1000113.4
437L26.3Very low26.8Very low137 Ų137140.3 Ų140.372%0.71770%0.704SS**  trans87.2134.6153.9-67.3156.5000120.2
438N23.6Very low26.9Very low129 Ų129137.3 Ų137.369%0.6970%0.699SS**  38.3140.1128.4-59.21.8000119.7
439Q28.6Very low27.1Very low171 Ų171135.8 Ų135.880%0.79970%0.695SS**  cis-162.8177.831.7-133.1156.5-3.200113.2
440S25.1Very low27.1Very low82 Ų82137.7 Ų137.757%0.57370%0.702SS**  trans-29.1160.3153.550.30000117.3
441D25.2Very low27.6Very low143 Ų143140.6 Ų140.677%0.76571%0.708SS**  cis-169.4-168.2-5.3-100.8-32.9000109.1
442H30.3Very low27.5Very low159 Ų159137.2 Ų137.274%0.73670%0.697SS**  trans74.5132.4170.4-73.2-94.7000115.7
443L26.3Very low27.5Very low149 Ų149141.9 Ų141.978%0.7871%0.71SS**  62.4142.962.3-81.684.9000113.3
444C23.5Very low27.3Very low104 Ų104139.5 Ų139.570%0.70371%0.71SS**  cis-171.2165.7-25.7-154.20000107.9
445I24.2Very low27.2Very low138 Ų138138.3 Ų138.371%0.70871%0.712SS**  trans59.3116.6163.3-50.7172.3000116.9
446K32.4Very low27.5Very low172 Ų172137.6 Ų137.675%0.74871%0.713SS**  -173.9119.5118.8-96.8-173.2179.8-81.10107.3
447E30.5Very low27.6Very low122 Ų122138.7 Ų138.757%0.5772%0.721SS**  83.6132.677-79.6-179.5176.600113.5
448I26.6Very low27.7Very low131 Ų131137.5 Ų137.567%0.67272%0.722SS**  57.6128.9127.4-60.9171.7000117.5
449E29.6Very low27.9Very low150 Ų150136.5 Ų136.570%0.70172%0.724SS**  cis-155.9142.50.8-117.5171.6-168.900110.6
450Q25.4Very low27.9Very low142 Ų142136.1 Ų136.166%0.66473%0.727SS**  28.6118111.2-57.2-164.832.300120.2I452Q450-I452 HydrophobicContact CG-CD1 4.32Å
451K31.6Very low28Very low197 Ų197135.9 Ų135.986%0.85773%0.725SS**  -169.8119.3127.4-97.6146.8-174168.50106.4
452I25.9Very low28.2Very low109 Ų109138.4 Ų138.456%0.55973%0.726SS**  cis64.385.814-51.5178.9000114.2Q450Q450-I452 HydrophobicContact CG-CD1 4.32Å
453K26.9Very low28.1Very low186 Ų186133.9 Ų133.981%0.80971%0.711SS**  -177.5148.5118.3-97.7148.6-176.9176.40109.5
454C24.7Very low28.2Very low114 Ų114131.2 Ų131.277%0.7770%0.698SS**  cis75.395.217-46.40000116.5
455S26.8Very low28.4Very low107 Ų107130.4 Ų130.475%0.74868%0.684SS**  trans-159.4137.7154.849.30000107.9
456L30.7Very low28.5Very low154 Ų154130.4 Ų130.481%0.80668%0.683SS**  62.613454.2-82.381.2000113.9
457P36.5Very low28.3Very low117 Ų117126.3 Ų126.376%0.7668%0.681SS**  -115.9135.5118.8-4.925.4000111.3
458C26.7Very low28.1Very low111 Ų111130.8 Ų130.875%0.7569%0.694SS**  83.2151.580.7-63.10000112.7
459C27.8Very low28.2Very low109 Ų109131 Ų13174%0.73670%0.697SS**  cis-151.1154.132.2-71.30000114.4
460L29.5Very low28.1Very low163 Ų163129.6 Ų129.685%0.85370%0.699SS**  trans55.3150.1139.7-60.5167.4000121.4
461S27.3Very low28.8Very low77 Ų77128 Ų12854%0.53870%0.701SS.*  cis-176.1155.9-19.747.20000111
462Y28.2Very low28.5Very low196 Ų196126.5 Ų126.577%0.76970%0.699SS**  trans78.4156.9172.8-56.9-78.7000118.2
463S28.7Very low28.5Very low63 Ų63126.4 Ų126.444%0.44170%0.699SS.*  cis180150.7-2659.60000115.6S489 H490S463-S489 CarbonylContact C-O 2.96Å; S463-S489 VanDerWaalsContact CA-O 3.3Å; S463-S489 WeakPolarHBondContact CA-O 3.31Å; S463-S489 PolarHBondContact N-O 2.93Å; S463-H490 CarbonylContact C-O 3.32Å
464N29.5Very low28.3Very low94 Ų94121.6 Ų121.650%0.50369%0.688SS.*  trans67.1178.8156.6-75.496.6000118.4S489 H490 R491N464-S489 PolarHBondContact N-O 3.46Å; N464-S489 CarbonylContact O-C 3.58Å; N464-H490 WeakPolarHBondContact CA-O 3.33Å; N464-H490 PolarHBondContact N-O 2.92Å; N464-H490 CarbonylContact O-C 3.55Å; N464-H490 PolarHBondContact O-N 3.5Å; N464-R491 PolarHBondContact O-N 2.66Å
465E27.2Very low28.4Very low87 Ų87123.4 Ų123.441%0.40769%0.689SS.*  -149.4169.6-61.9-126.2-54.570.400113.7R491 S492E465-R491 WeakPolarHBondContact OE1-CA 3.38Å; E465-S492 PolarHBondContact OE1-N 3.26Å
466M27.1Very low28.4Very low137 Ų137126.2 Ų126.268%0.67569%0.69SS**  trans69.8139.7152.7-72.8-164.1-176.100123.2I493M466-I493 HydrophobicContact CE-CD1 3.86Å; M466-I493 HydrophobicContact CE-CG1 4.48Å
467A28Very low28.2Very low87 Ų87125.2 Ų125.272%0.71969%0.69SS**  trans74.1106.3146.200000124.1
468Y26.4Very low27.8Very low215 Ų215125 Ų12584%0.84369%0.689SS**  60121.2128.7-81.1-90.1000125.1
469N27Very low27.8Very low136 Ų136125 Ų12573%0.72769%0.69SS**  trans72.1107.4137.5-73.212.6000125.6
470T29.2Very low27.8Very low120 Ų120126.3 Ų126.374%0.73669%0.688SS**  -35.7173.1129.545.80000118.2
471P38.4Very low27.6Very low109 Ų109125.1 Ų125.171%0.70868%0.681SS**  cis-143.7-170.2-25.938.6-18.7000115.6
472M25.6Very low27.7Very low166 Ų166127.7 Ų127.782%0.81869%0.689SS**  trans80.1134.5152.8-79.3-61.2-15500121.9
473N25.7Very low27.8Very low107 Ų107123.9 Ų123.957%0.57268%0.682SS**  trans23115.5164.1-72.219.7000122.5
474C23.8Very low27.8Very low84 Ų84128.8 Ų128.857%0.56870%0.698SS**  56.6111.5128.4-59.10000120.6
475I27.1Very low27.7Very low153 Ų153129.2 Ų129.279%0.78571%0.708SS**  -163.8146.5109.7-99.2157.7000109.9
476E25.2Very low27.8Very low165 Ų165129.4 Ų129.477%0.77172%0.719SS**  trans10.4123.1159.5-53.3167.8-174.900118.1
477T27.2Very low27.9Very low134 Ų134132.7 Ų132.782%0.82273%0.725SS**  -173167.162.728.20000111.3
478P29.1Very low27.9Very low113 Ų113135 Ų13573%0.73473%0.725SS**  trans-104.3174.3-16639.9-36.5000116.3
479S26.1Very low27.8Very low109 Ų109127.4 Ų127.476%0.76270%0.703SS**  trans82.5147.6155.993.10000117
480I27.1Very low27.8Very low138 Ų138127.6 Ų127.671%0.70870%0.7SS**  cis-159.5144-10.4-126.2171.8000110.1
481I26.4Very low27.8Very low137 Ų137130.4 Ų130.470%0.70370%0.697SS**  trans45.9121.2151.2-60.9166.8000117.3
482N27.9Very low27.3Very low131 Ų131128.8 Ų128.870%0.70169%0.688SS**  -170.7175.659.5-144-13.8000114.4
483N31.4Very low27.5Very low116 Ų116127.1 Ų127.162%0.6268%0.681SS**  trans65.1105.6162.4-63-15000116.5
484Q28.8Very low28Very low167 Ų167126 Ų12678%0.7868%0.68SS**  86122.275.6-83.7-172.8-6.700114.2
485S26.6Very low28.3Very low102 Ų102130.2 Ų130.271%0.71370%0.696SS**  trans34.7136145.657.80000120.9
486S28.7Very low28.5Very low91 Ų91129 Ų12964%0.63669%0.69SS**  cis177.8172.64.943.10000110.4
487Y30.5Very low28.8Very low206 Ų206126.5 Ų126.581%0.80868%0.683SS**  trans66.8122.9176.2-64.1-89.5000114.4
488L27Very low28.8Very low137 Ų137130.8 Ų130.872%0.71768%0.684SS**  83.592.556.6-79.6166.8000114.9
489S25.4Very low28.7Very low55 Ų55131.3 Ų131.339%0.38568%0.681SS.*  115.6128.9108.577.50000120.5S463 N464S463-S489 CarbonylContact C-O 2.96Å; S463-S489 VanDerWaalsContact CA-O 3.3Å; S463-S489 WeakPolarHBondContact CA-O 3.31Å; S463-S489 PolarHBondContact N-O 2.93Å; N464-S489 PolarHBondContact N-O 3.46Å; N464-S489 CarbonylContact O-C 3.58Å
490H26.7Very low28.9Very low139 Ų139134 Ų13464%0.64468%0.678SS**  trans69.398.8144-74.3-52.6000121.6S463 N464S463-H490 CarbonylContact C-O 3.32Å; N464-H490 WeakPolarHBondContact CA-O 3.33Å; N464-H490 PolarHBondContact N-O 2.92Å; N464-H490 CarbonylContact O-C 3.55Å; N464-H490 PolarHBondContact O-N 3.5Å
491R28.3Very low29Very low180 Ų180133.1 Ų133.168%0.67968%0.68SS**  70.7154.9118.8-80.8-172.8170.8-166.3-2.5120.2N464 E465N464-R491 PolarHBondContact O-N 2.66Å; E465-R491 WeakPolarHBondContact OE1-CA 3.38Å
492S29.2Very low29.1Very low75 Ų75132.8 Ų132.852%0.52468%0.678SS.*  trans103118.6148.6-36.60000116.8E465E465-S492 PolarHBondContact OE1-N 3.26Å
493I29.9Very low29.1Very low130 Ų130134.8 Ų134.867%0.66768%0.683SS**  trans-131.2120.2131.6-65.7-172.9000108.3M466M466-I493 HydrophobicContact CE-CD1 3.86Å; M466-I493 HydrophobicContact CE-CG1 4.48Å
494P35.2Very low29.1Very low84 Ų84137.7 Ų137.755%0.54569%0.69SS.*  trans-105179.1169.140.4-33000112.1
495L30.9Very low28.9Very low173 Ų173135.4 Ų135.491%0.90669%0.693SS**  trans-146.979.6157.3-85.9-178.4000110.9
496D31.2Very low28.8Very low126 Ų126136 Ų13667%0.67469%0.693SS**  10.3151.9115.8-53.418.6000118.7
497D31.6Very low28.8Very low114 Ų114140.8 Ų140.861%0.6170%0.702SS**  cis-172.2169-30.6-147.9-15.7000109.8
498W27Very low28.5Very low224 Ų224137.5 Ų137.585%0.84870%0.699SS**  trans58.8158.4146.6-73.7-9.8000123.6
499D27.6Very low28.5Very low124 Ų124141.9 Ų141.966%0.66371%0.707SS**  cis-177.1176.6-21.2179.133.8000109.7
500K29.7Very low28.4Very low164 Ų164146.2 Ų146.271%0.71373%0.726SS**  trans124.499.3139.2-70-176.9179.6169.70122.7
501T27.9Very low28.4Very low121 Ų121147.7 Ų147.774%0.74274%0.737SS**  64.6170.7125.163.90000120.1
502I28.7Very low28.2Very low130 Ų130143.7 Ų143.767%0.66774%0.736SS**  cis-149.1136.826.4-64.9169.5000112.5K504I502-K504 HydrophobicContact CG2-CG 4.09Å
503E28.6Very low28.1Very low173 Ų173145.2 Ų145.281%0.80875%0.747SS**  -163.7104.7127.7-105.6-175.5173.800108.7
504K30.6Very low27.9Very low177 Ų177144.7 Ų144.777%0.7776%0.755SS**  62.1130.196.2-68.7178.1-175.1167.30113.7I502I502-K504 HydrophobicContact CG2-CG 4.09Å
505S25.8Very low27.5Very low119 Ų119146.1 Ų146.183%0.83277%0.767SS**  cis-142.1146.71855.50000114.7
506T24.7Very low27.2Very low115 Ų115145 Ų14571%0.70676%0.759SS**  trans-98160.7170.350.60000112
507F27.3Very low26.9Very low191 Ų191144.6 Ų144.684%0.83876%0.757SS**  -177163.1114.3-107.8-75.5000113.1
508N24.7Very low26.8Very low137 Ų137147.1 Ų147.173%0.73377%0.765SS**  trans-93160.1-172-48.8-31.2000112.7
509Y27.3Very low26.7Very low228 Ų228143 Ų14389%0.89476%0.759SS**  trans-163.2141.2133.1-115.1-74.9000111.1
510D23.2Very low26.8Very low147 Ų147143.9 Ų143.979%0.78676%0.759SS**  trans-78.2144.1159.9-76.1-60.1000110.1
511I27.9Very low26.7Very low169 Ų169144.1 Ų144.187%0.86776%0.755SS**  trans168.9143.5140.2-90.5156.3000109.3
512S23.4Very low26.7Very low96 Ų96145 Ų14567%0.67175%0.754SS**  trans-104.1157.9-173.662.70000114.6
513S26.9Very low26.8Very low108 Ų108146.7 Ų146.776%0.75576%0.759SS**  trans58.1106.1140.462.80000120.9
514S25Very low26.9Very low119 Ų119143.5 Ų143.583%0.83276%0.756SS**  trans-165155.1135.148.20000108.3
515S27.8Very low27.1Very low114 Ų114138.5 Ų138.580%0.79775%0.747SS**  cis-108.4148.15.348.60000112.6
516M23.6Very low27.4Very low150 Ų150139.6 Ų139.674%0.73974%0.744SS**  cis89.4131.921.4-156-161.6179.100115.4
517N26.4Very low27.8Very low117 Ų117140 Ų14063%0.62674%0.742SS**  trans73.298.5168.7-52.9-41.1000119.4
518H29.8Very low27.9Very low166 Ų166136.7 Ų136.777%0.76973%0.733SS**  177.1126.697.9-98.9-95.6000108
519L24.4Very low28Very low139 Ų139138.8 Ų138.873%0.72873%0.732SS**  86.2140.764.5-107.1165.4000114
520E29.8Very low28.1Very low142 Ų142132.7 Ų132.766%0.66472%0.722SS**  trans70.2147.9171.2-60.5-157.5141.700116.5
521R27.8Very low28.2Very low168 Ų168131.6 Ų131.663%0.63472%0.715SS**  cis-159.4125.1-8.2167.6178-91.2105.313.3106.2
522I26.9Very low28.1Very low139 Ų139132.9 Ų132.971%0.71371%0.711SS**  49.4130.5104.5-51.5164.6000112.1
523E30.9Very low28.1Very low166 Ų166133 Ų13378%0.77671%0.707SS**  cis-125.413941.6-105.9116.2-120.200113.1
524S31.3Very low28Very low107 Ų107133.4 Ų133.475%0.74871%0.706SS**  89.1146.772.7100.40000113.7
525A33.5Very low28.2Very low71 Ų71136.6 Ų136.659%0.58771%0.707SS**  cis-156149.4-2.100000112.7
526N32.6Very low28.3Very low143 Ų143139.8 Ų139.877%0.76571%0.709SS**  trans70.4150.2150.7-54.40.2000120
527N33.9Very low28.7Very low122 Ų122138.2 Ų138.265%0.65271%0.71SS**  cis-163.9157.9-15.8-98.116.5000105.1
528D29.8Very low28.8Very low122 Ų122139.5 Ų139.565%0.65272%0.716SS**  cis-157.8173.6-7.8-118.4-35.7000111.2
529Y26.7Very low28.6Very low182 Ų182138 Ų13871%0.71471%0.714SS**  trans-54.5152171-63.7-104.9000112.5I531Y529-I531 HydrophobicContact CD1-CD1 3.69Å; Y529-I531 HydrophobicContact CD1-CG1 4.38Å; Y529-I531 HydrophobicContact CE1-CD1 4.36Å; Y529-I531 HydrophobicContact CG-CD1 4.41Å
530S27.7Very low28.7Very low99 Ų99140 Ų14069%0.69272%0.717SS**  cis65166.638.593.50000114.5
531I26.4Very low28.5Very low125 Ų125138.6 Ų138.664%0.64172%0.718SS**  trans87.1132.7177.4-58.9168.8000115.6Y529Y529-I531 HydrophobicContact CD1-CD1 3.69Å; Y529-I531 HydrophobicContact CD1-CG1 4.38Å; Y529-I531 HydrophobicContact CE1-CD1 4.36Å; Y529-I531 HydrophobicContact CG-CD1 4.41Å
532Y25.8Very low28.7Very low196 Ų196135.5 Ų135.577%0.76972%0.72SS**  cis-159.2153.5-10.9-123.3-154000113.7
533T24.3Very low28.6Very low98 Ų98133 Ų13360%0.60172%0.715SS**  trans37.7134.9141.362.60000126
534T24.6Very low28.3Very low117 Ų117133.7 Ų133.772%0.71872%0.716SS**  trans65.9113.9136.454.30000122.4
535H28.7Very low27.8Very low186 Ų186134.9 Ų134.986%0.86171%0.713SS**  -172.1136.8105.3-107.9-80.2000112.3
536E29Very low27.5Very low181 Ų181141.8 Ų141.885%0.84673%0.726SS**  trans-95.3151.4159.6-73.8-168.9137.200108.8
537P33.5Very low27Very low116 Ų116145.3 Ų145.375%0.75373%0.73SS**  -155.3-173.380.638.5-15.9000117.5
538L27.6Very low26.6Very low145 Ų145147 Ų14776%0.75974%0.737SS**  trans90.3102158-61.4168.8000121.4
539N25.3Very low26.3Very low133 Ų133149.3 Ų149.371%0.71174%0.744SS**  50.2152.8118.2-65.5-11.5000124.5
540F27Very low26.6Very low181 Ų181145.3 Ų145.379%0.79474%0.74SS**  trans83.191.9163.8-67.3-77.2000119.9
541T24.9Very low26.5Very low114 Ų114148.8 Ų148.870%0.69975%0.748SS**  41.5159.710864.80000122.1
542P33.3Very low26.5Very low103 Ų103146.9 Ų146.967%0.66975%0.751SS**  cis-147.8172.8-37.743-25.6000115.7
543S23.9Very low26.6Very low87 Ų87144.1 Ų144.161%0.60875%0.745SS**  trans37.3147.4136.370.90000125.8
544F24.2Very low26.6Very low180 Ų180150.2 Ų150.279%0.78976%0.757SS**  trans102111.8143.4-75.2-61.6000121.5
545D21.9Very low26.7Very low131 Ų131153.5 Ų153.570%0.70176%0.757SS**  trans78.1154.8131.2-73.7-5.8000125.3
546Y25.5Very low26.5Very low217 Ų217149.9 Ų149.985%0.85175%0.753SS**  trans81.7113.3170.7-83.3-80.7000121.7
547Y24Very low26.6Very low216 Ų216146 Ų14685%0.84775%0.746SS**  trans-55.3150.4155.5-83.4-119000111.9
548I24.7Very low26.5Very low158 Ų158146.2 Ų146.281%0.8175%0.745SS**  -176.4146.6110.8-96.6164.3000112.7
549H23.3Very low26.3Very low170 Ų170144.5 Ų144.579%0.78774%0.744SS**  trans-22178.5151.8-100.7-90.8000119.4
550P33.6Very low26.4Very low99 Ų99142.5 Ų142.564%0.64374%0.741SS**  cis-142.6-162.85.936.2-12.3000116.9
551M25.2Very low26.4Very low172 Ų172140.7 Ų140.785%0.84774%0.739SS**  trans86.391143.8-86.4176167.400122.7
552A25.5Very low26.5Very low85 Ų85142.1 Ų142.170%0.70274%0.743SS**  54.8131.7104.400000123.5
553Q27.8Very low26.3Very low137 Ų137144.9 Ų144.964%0.6475%0.747SS**  trans70.4118.2157.2-65-177.111.700116.8Y555Q553-Y555 HydrophobicContact CB-CE2 3.95Å; Q553-Y555 PolarHBondContact OE1-OH 3.11Å
554R25.6Very low26.5Very low226 Ų226149.9 Ų149.985%0.85375%0.753SS**  69.4153.189.6-67.4-175.9-179.5-179.11112.1
555Y26.4Very low26.7Very low187 Ų187148.7 Ų148.773%0.73375%0.75SS**  -173.9158.178.5-91.2-85.9000112.1Q553Q553-Y555 HydrophobicContact CB-CE2 3.95Å; Q553-Y555 PolarHBondContact OE1-OH 3.11Å
556S24.9Very low26.8Very low110 Ų110149 Ų14977%0.76975%0.752SS**  trans-117.1147137.254.80000106.5
557S29.9Very low26.9Very low99 Ų99142.5 Ų142.569%0.69274%0.738SS**  cis-147.6146.924.254.40000113.6
558T31.3Very low27.1Very low120 Ų120138.4 Ų138.474%0.73673%0.731SS**  trans14.9145.9139.260.70000120.1
559C24.8Very low27.2Very low110 Ų110137.6 Ų137.674%0.74373%0.728SS**  cis-178.9169.50-100.60000106.6
560S26.9Very low27.4Very low91 Ų91133.3 Ų133.364%0.63672%0.717SS**  cis-168.3170.3-14.5-1030000108.2
561N26Very low27.1Very low142 Ų142136.3 Ų136.376%0.75973%0.728SS**  trans70.9140.9177.5-52.24.7000112.7
562D28.5Very low27.4Very low145 Ų145131.7 Ų131.778%0.77572%0.724SS**  cis-151.8171.530.5-107.6-42.7000114
563E27.9Very low27.6Very low161 Ų161134.3 Ų134.375%0.75273%0.726SS**  trans63122.9152.9-69.8-165.3158.400125.4
564Y27.9Very low27.8Very low191 Ų191132.5 Ų132.575%0.74972%0.721SS**  trans78.1168.4131.2-84.3-106.3000125
565H30Very low28Very low156 Ų156130.5 Ų130.572%0.72272%0.718SS**  trans-38.6147.1-169.8-62.9-37000118.1
566N24.2Very low28.1Very low137 Ų137125.6 Ų125.673%0.73371%0.712SS**  cis76.4122.941.6-167.729.4000115.9
567S25.7Very low28.4Very low81 Ų81127.6 Ų127.657%0.56671%0.712SS**  trans81.6153.2153.578.40000121.9
568N29.5Very low28.3Very low130 Ų130130 Ų13070%0.69572%0.715SS**  trans79.8115.7153.9-62.5-31.5000117.9
569N27.2Very low28Very low141 Ų141128.8 Ų128.875%0.75471%0.712SS**  87.6145.864.3-79.8-24.7000112.2
570S27.2Very low28Very low80 Ų80127.7 Ų127.756%0.55971%0.706SS**  cis-177.6165.6-10.350.90000110.4
571N27.7Very low27.9Very low162 Ų162129.1 Ų129.187%0.86671%0.711SS**  trans74.3148.1162.9-48.9-31000117.4
572G30Very low27.9Very low74 Ų74130.8 Ų130.876%0.76371%0.711SS**  trans173.218.3-176.400000121.1
573D31.1Very low27.6Very low141 Ų141131.2 Ų131.275%0.75471%0.709SS**  trans63.2137.6152.4-94.928.9000124.8
574N31.5Very low27.5Very low99 Ų99131.6 Ų131.653%0.52971%0.71SS.*  trans69.4113.7144.6-63.6-41.4000120.5
575K30.4Very low27.6Very low183 Ų183131.5 Ų131.580%0.79672%0.717SS**  84143.475.7-79.5-177.2-167.2118.80113.6
576S28.7Very low27.6Very low85 Ų85128.8 Ų128.859%0.59471%0.713SS**  cis178170.7-7.351.60000112
577I29.6Very low27.7Very low151 Ų151130 Ų13077%0.77471%0.714SS**  trans74.8139.1148.2-78.6163.1000116.7
578I29Very low27.6Very low149 Ų149133.7 Ų133.776%0.76472%0.722SS**  cis-156.7-175.3-11.8-125.5170.2000111.6
579S24.7Very low27.3Very low95 Ų95133.5 Ų133.566%0.66472%0.72SS**  trans-61.2-174.2-17876.40000117.1
580S25Very low27.1Very low87 Ų87132 Ų13261%0.60872%0.719SS**  cis-171.8155.32.922.90000112.2
581T24.7Very low27Very low122 Ų122134.7 Ų134.775%0.74872%0.723SS**  trans63.9148.6147.748.60000123.7
582F24.8Very low26.9Very low176 Ų176136 Ų13677%0.77272%0.716SS**  trans85.8122.7147.3-90-60.5000123
583H23.5Very low26.7Very low154 Ų154137.9 Ų137.971%0.71371%0.708SS**  trans70147.4141.4-95.9-50.8000123.7
584Q25.4Very low26.6Very low169 Ų169137.6 Ų137.679%0.7971%0.707SS**  trans79.5113147.3-78.7168.8-10.500120.2
585E29.1Very low26.7Very low189 Ų189138.2 Ų138.288%0.88371%0.714SS**  trans-52.3143.5135.1-63.3-177.6115.500109
586P29.8Very low26.8Very low99 Ų99134.6 Ų134.664%0.64371%0.708SS**  -150.9-178.277.441.2-22.6000116
587Q26.3Very low26.8Very low163 Ų163136.7 Ų136.776%0.76271%0.712SS**  trans54.6110.6143.6-77.8164.612.300118.4
588Q23.9Very low26.7Very low158 Ų158135.9 Ų135.974%0.73871%0.709SS**  74.2136.288.6-85.2-168.9-12.400115.6
589I23.3Very low26.6Very low126 Ų126135.8 Ų135.865%0.64671%0.71SS**  trans6188147.4-60.4166.1000113.7
590C23.5Very low26.7Very low109 Ų109136.3 Ų136.374%0.73671%0.714SS**  49.9114.790.5-58.50000114.1
591H25.5Very low26.8Very low138 Ų138136.9 Ų136.964%0.63972%0.718SS**  trans-177.1129.7138.3-9915.6000111.1
592R24.8Very low26.8Very low189 Ų189138.1 Ų138.171%0.71372%0.72SS**  75159.386.5-78-172.3168.2159-15.7112.4
593N26.4Very low26.8Very low113 Ų113135.5 Ų135.560%0.60472%0.719SS**  cis-156168.83.8-132.78.3000111.8
594N29.9Very low26.8Very low136 Ų136135 Ų13573%0.72772%0.72SS**  trans157.6138.3131.1-79.8-14.2000108.8
595T32.3Very low26.8Very low112 Ų112132.7 Ų132.769%0.68771%0.714SS**  cis-170.5145.25.516.20000107.4
596T32.1Very low26.6Very low106 Ų106132.8 Ų132.865%0.6571%0.708SS**  cis-169.4166.8-9.14.80000111.2
597N28.6Very low26.4Very low130 Ų130134.6 Ų134.670%0.69571%0.711SS**  trans72.4108.7150.6-62.7-1.1000123
598N28.8Very low26.5Very low133 Ų133132.6 Ų132.671%0.71171%0.706SS**  82.8123.3123.4-61.10.9000123.9
599N27.4Very low26.7Very low147 Ų147132.6 Ų132.679%0.78671%0.709SS**  trans95.1137.7141.1-66.1-2.8000123.1
600S26.9Very low26.9Very low107 Ų107133.2 Ų133.275%0.74871%0.713SS**  trans77.1109.1151.654.70000123.2
601S25.2Very low27.2Very low99 Ų99133 Ų13369%0.69271%0.711SS**  58.2131.7128.863.70000124.6
602N24.8Very low27.1Very low147 Ų147134 Ų13479%0.78672%0.72SS**  trans91.2143.3138.3-74.85.5000123.2
603T24.6Very low27.1Very low121 Ų121130.1 Ų130.174%0.74272%0.718SS**  trans76.2123.6150.341.20000123.2
604L24.7Very low27.1Very low143 Ų143134.3 Ų134.375%0.74973%0.726SS**  trans76.9140.2139.4-95.669.7000123.4
605D25Very low26.9Very low122 Ų122136.5 Ų136.565%0.65273%0.73SS**  trans88.3126136.1-73.7-1000125.8
606Y24.3Very low26.7Very low191 Ų191136.3 Ų136.375%0.74973%0.733SS**  trans72.2117.5138.8-86-110.9000123.5
607L26.6Very low26.5Very low137 Ų137136 Ų13672%0.71774%0.735SS**  trans57.699.1141.7-66.8-179.5000121.5
608N28Very low26.5Very low121 Ų121136.7 Ų136.765%0.64774%0.739SS**  69.5109.2105-159.321000118.8
609I27.4Very low26.4Very low158 Ų158138 Ų13881%0.8175%0.745SS**  -165.5142.5105.8-94.3154.4000111.4
610N27.4Very low26.3Very low138 Ų138140.2 Ų140.274%0.73875%0.748SS**  trans-40.4162.7172.5-76.4-30.1000116.6
611P30.7Very low26.8Very low104 Ų104140 Ų14068%0.67574%0.744SS**  cis-145.9171.13043.1-24.4000119.2
612L23.4Very low26.7Very low159 Ų159139.9 Ų139.983%0.83274%0.743SS**  trans54.3126.4147.5-69.6165.2000118.4
613T24.2Very low26.8Very low109 Ų109138.7 Ų138.767%0.66974%0.741SS**  cis-154.1172.112.447.10000109.4
614Y26.9Very low26.9Very low200 Ų200139.6 Ų139.678%0.78474%0.741SS**  178.6122.2125.7-115.8-118.8000111
615F26.5Very low27Very low183 Ų183138.7 Ų138.780%0.80374%0.736SS**  trans55.1138.2162.7-70.6-112.5000118.4
616S27.3Very low27Very low108 Ų108138.3 Ų138.376%0.75573%0.734SS**  cis-141.1167.328.149.30000114.6
617S28.5Very low27Very low98 Ų98136.1 Ų136.169%0.68574%0.735SS**  trans-21.9129.9175-51.80000117.8
618N27.7Very low27.2Very low146 Ų146138 Ų13878%0.78174%0.738SS**  70.9136.666.9-67.4-16.6000113.5
619L27.4Very low27.1Very low159 Ų159142.5 Ų142.583%0.83275%0.752SS**  cis-149.5177.717-150.875.7000113.5
620F25.2Very low27.1Very low194 Ų194144.5 Ų144.585%0.85176%0.755SS**  trans-124.1-168.5-178.4-103.7-57.9000109.1
621P37.3Very low27Very low104 Ų104145.3 Ų145.368%0.67576%0.756SS**  cis-141.3-167.9-37.337.4-16.2000115.8
622S23.8Very low26.7Very low96 Ų96146.9 Ų146.967%0.67176%0.759SS**  trans93.4109.3131.863.20000126
623T25.8Very low26.6Very low121 Ų121144.2 Ų144.274%0.74275%0.753SS**  45.4121.6125.961.20000125.4
624D27.7Very low26.6Very low140 Ų140143.8 Ų143.875%0.74976%0.755SS**  -166.6152.1109.5-100.4-15.2000108.1
625I26.4Very low26.5Very low124 Ų124142.9 Ų142.964%0.63676%0.757SS**  cis75.211840.5-58.2-179000111.9
626N24.8Very low26.4Very low115 Ų115141 Ų14162%0.61576%0.755SS**  cis-134.8158.11.2-87.6-68.4000109.2
627D25Very low26.3Very low144 Ų144143.3 Ų143.377%0.7777%0.765SS**  trans-139.6146.3133.9-151.8-9.7000110.4
628K29.3Very low26.3Very low178 Ų178143 Ų14377%0.77477%0.768SS**  trans-133.897-158.2-158.9169.7-171.6171.50112.6
629F27.2Very low26.3Very low214 Ų214146 Ų14694%0.93977%0.774SS**PPolyproline II helixtrans-52.8137.7-173-101.6-93.6000115
630K27.6Very low26.3Very low201 Ų201147.8 Ų147.887%0.87478%0.779SS**PPolyproline II helixtrans-92169.9168.3-154.9175.2-179.9-1760109.9
631M23.6Very low26.4Very low155 Ų155143 Ų14376%0.76477%0.774SS**PPolyproline II helixtrans-93.3151.7-162.6-58176.669.500115.6
632N24.4Very low25.8Very low137 Ų137146.8 Ų146.873%0.73378%0.781SS**  trans79.4149.8140.7-70.93.9000123.6
633S22.8Very low25.7Very low102 Ų102148.5 Ų148.571%0.71378%0.782SS**  trans76.610214258.90000123
634S23.2Very low25.7Very low101 Ų101150.7 Ų150.771%0.70679%0.787SS**  70.6152.9119.469.30000123
635H24.3Very low25.6Very low181 Ų181154.6 Ų154.684%0.83879%0.791SS**  trans60.6126.5174.8-76.3-96.7000114.9
636L24.9Very low25.5Very low142 Ų142156 Ų15674%0.74380%0.8SS**  -172.9122.456.8174.776.3000111
637T26.3Very low25.5Very low157 Ų157160.5 Ų160.596%0.96381%0.81SS**  trans-151.983.6159.54.50000111.2
638A28Very low25.4Very low93 Ų93161.6 Ų161.677%0.76982%0.815SS**  trans-117146169.500000109.8
639K28.2Very low25.3Very low208 Ų208161.4 Ų161.490%0.90482%0.816SS**  trans-81.8141.7-171-65.7176.7179.4174.90113.6
640Q25.8Very low25.1Very low197 Ų197154 Ų15492%0.92180%0.801SS**  trans-162.5149.4140.1-101.1163.124.300105.6
641A27Very low25.1Very low92 Ų92151.9 Ų151.976%0.7680%0.799SS**  cis-158.3177.66.800000107.2
642F25.1Very low25.1Very low185 Ų185150.9 Ų150.981%0.81180%0.796SS**  cis-163.1-179.8-15-171.1-107.3000108
643L22.6Very low25.3Very low132 Ų132152.5 Ų152.569%0.69180%0.799SS**  trans-70.4153.5179.5-62.595.8000115.1
644I26.4Very low25.6Very low167 Ų167156.2 Ų156.286%0.85680%0.803SS**  -173.8154.5127.8-99.6154.7000108.7
645R25.7Very low25.7Very low221 Ų221159.1 Ų159.183%0.83481%0.81SS**  cis-178.2146.8-40.1-178.5172.9-176.6146.82.1105.4
646N23Very low25.8Very low154 Ų154160 Ų16082%0.82481%0.812SS**  trans-51.1141.4172.8-63.6-14000112.7
647Y25.1Very low25.8Very low210 Ų210159.1 Ų159.182%0.82481%0.813SS**  trans-142.8122.2147.8-115.7-75.6000112
648L22.2Very low25.8Very low166 Ų166161.3 Ų161.387%0.86981%0.809SS**  trans-88.2111.8164.5-85.8162.6000108.5
649H27.3Very low25.6Very low174 Ų174163.9 Ų163.981%0.80681%0.808SS**  trans-159.2126.4150.3-94.8-80.6000105
650G23.8Very low25.6Very low59 Ų59159.1 Ų159.161%0.60880%0.796SS**  cis94.981.612.600000110.4
651D27.6Very low25.6Very low156 Ų156157.6 Ų157.683%0.83479%0.789SS**  -152.6163.6127.6-129.1-35.2000113.3
652N24.4Very low25.7Very low134 Ų134158.6 Ų158.672%0.71778%0.78SS**  trans-88.8152.9-171.5-61-94000112.1
653H28.5Very low25.8Very low171 Ų171157.5 Ų157.579%0.79278%0.778SS**  -177.6154115.2-109.3-72.4000115.6
654K28.6Very low26.1Very low181 Ų181156.5 Ų156.579%0.78777%0.773SS**  trans7583.9159.1-66.1158.8-174.51730117.6
655N24.6Very low26.2Very low161 Ų161156.3 Ų156.386%0.86177%0.768SS**  trans-57.7132131.2-83.3-26.1000109.5
656F26Very low26.1Very low201 Ų201152 Ų15288%0.88276%0.761SS**  trans-153.895.7147.1-122.1-71.7000109.5
657T26Very low26.2Very low123 Ų123154.1 Ų154.176%0.75576%0.763SS**  trans-65.9144.5170.7180000110.6
658K26.6Very low26.3Very low202 Ų202150.1 Ų150.188%0.87876%0.756SS**  trans-133.8111.7165.3-159174.8-174.8-1780109.5
659I23.6Very low26.6Very low148 Ų148149.2 Ų149.276%0.75975%0.751SS**  trans-111.4138.1-179.6-63.6170000108.2
660T27.1Very low26.6Very low107 Ų107145.1 Ų145.166%0.65674%0.742SS**  trans165.2143.2161.341.40000106.6
661H27.2Very low26.9Very low165 Ų165148.5 Ų148.576%0.76475%0.746SS**  cis-171.5162.73.4-108.9-32.7000106.8
662I27.8Very low27Very low113 Ų113149.5 Ų149.558%0.57974%0.743SS**  cis-161.3-160-7.9-151176.4000108D664I662-D664 WeakPolarHBondContact CG1-OD2 3.35Å
663H28.3Very low27.1Very low163 Ų163148.1 Ų148.176%0.75574%0.743SS**  trans81108178.1-76.1-60.1000116
664D28.8Very low27Very low111 Ų111144.4 Ų144.459%0.59474%0.737SS**  cis72.7131.824.7-31-46000114.3I662I662-D664 WeakPolarHBondContact CG1-OD2 3.35Å
665E27.1Very low26.7Very low163 Ų163141.8 Ų141.876%0.76274%0.741SS**  cis-162.4166.5-12.3-132.5-162.616200111.5
666L23.5Very low26.7Very low130 Ų130138.6 Ų138.668%0.68173%0.732SS**  trans31.3127.4154-68.9169.1000122.8
667F26.9Very low26.6Very low199 Ų199134.3 Ų134.387%0.87373%0.727SS**  177.5158.3119.9-113.3-87.8000110.9
668N25.5Very low26.5Very low126 Ų126134.8 Ų134.867%0.67473%0.73SS**  -156.8-179.2-64.5-159.5-17.4000108.2
669I29.2Very low26.6Very low147 Ų147132.5 Ų132.575%0.75473%0.725SS**  trans75.7130.7169-53.3165.9000114.8
670S27.9Very low26.7Very low88 Ų88133.5 Ų133.562%0.61573%0.729SS**  cis-167.2145.6-15.155.60000112.1
671N30.2Very low26.7Very low130 Ų130134.2 Ų134.270%0.69573%0.733SS**  168.3127125-95.8-65.1000113.4
672K28.7Very low26.7Very low177 Ų177132 Ų13277%0.7773%0.731SS**  trans45.7107.6142.4-65.2179.2-176.8179.40119.1
673S26.4Very low26.8Very low104 Ų104133 Ų13373%0.72774%0.738SS**  69.4136.872.575.70000114.4
674S26.6Very low26.9Very low93 Ų93133.2 Ų133.265%0.6574%0.739SS**  cis-166.9154.2-1.439.60000111.3S676S674-S676 PolarHBondContact O-N 2.97Å; S674-S676 PolarHBondContact OG-OG 2.88Å
675S22Very low26.7Very low126 Ų126135.9 Ų135.988%0.88175%0.753SS**  trans-75.4115158.152.80000109.6
676S26.2Very low27Very low95 Ų95133.9 Ų133.966%0.66475%0.753SS**  trans-145.792.4179.7-58.10000112.1S674S674-S676 PolarHBondContact O-N 2.97Å; S674-S676 PolarHBondContact OG-OG 2.88Å
677S22.6Very low27.4Very low111 Ų111134.1 Ų134.178%0.77676%0.76SS**  trans-89163.2148.254.20000109.2
678T25Very low27.5Very low133 Ų133128.3 Ų128.382%0.81675%0.749SS**  trans79.878.9177.1-340000116.2
679I27.6Very low27.7Very low154 Ų154127.9 Ų127.979%0.7975%0.75SS**  trans-134.1139.5144.4-14.2178.3000104.5
680M26.3Very low27.5Very low169 Ų169126.7 Ų126.783%0.83375%0.751SS**  cis-130.4165.612.4-35.2-164.573.100112.2
681T26.4Very low27.6Very low121 Ų121128.2 Ų128.274%0.74276%0.756SS**  trans-117158.416049.80000109.4
682T28.6Very low27.6Very low118 Ų118127.3 Ų127.372%0.72476%0.755SS**  trans62.2108.5175.962.60000117.8
683N28.7Very low27.6Very low135 Ų135124.6 Ų124.672%0.72275%0.754SS**  trans75.4146.7142.9-56.223.8000117.3
684E31Very low27.8Very low167 Ų167124.5 Ų124.578%0.7875%0.749SS**  cis-147.1147.313-136.7140-11300111.5
685D25Very low28Very low167 Ų167127.9 Ų127.989%0.89375%0.754SS**  trans-85.8116.9179-80.1-62.1000112.6
686T33.3Very low28.5Very low121 Ų121127.5 Ų127.574%0.74275%0.747SS**  trans-145.9109.9161.651.90000113.6
687T31Very low28.9Very low135 Ų135128.4 Ų128.483%0.82875%0.749SS**  trans34.4141.5130.260.20000121.6
688A30Very low29.3Very low78 Ų78129.1 Ų129.165%0.64574%0.743SS**  cis-173.4160.5-8.700000111.8
689T29.4Very low29.7Very low116 Ų116130 Ų13071%0.71274%0.744SS**  trans47.9108.6145.5540000122.6
690T25.2Very low29.9Very low123 Ų123129.2 Ų129.276%0.75574%0.741SS**  76.1159.9127.462.40000122.8
691T28.8Very low30.3Very low120 Ų120126.8 Ų126.874%0.73674%0.737SS**  trans88.5118.3160.753.30000121.5
692T30.8Very low30.3Very low110 Ų110124.7 Ų124.768%0.67573%0.728SS**  trans72.2114.8133.655.70000123
693T29.3Very low30.2Very low121 Ų121126.3 Ų126.374%0.74273%0.731SS**  60143.6126.164.70000120.5
694T30.1Very low30.2Very low101 Ų101128.3 Ų128.362%0.6274%0.735SS**  cis-171.8164.45.813.70000111
695H31.4Very low30Very low164 Ų164123.8 Ų123.876%0.75972%0.722SS**  trans68.3138.9162.7-56.7-52.6000116.2
696T31.9Very low30Very low119 Ų119123.2 Ų123.273%0.7372%0.717SS**  cis-166.1167.6-0.811.30000107.9
697T34.9Very low29.7Very low114 Ų114124.2 Ų124.270%0.69972%0.718SS**  cis-136.6158.39.351.50000112.7
698N30.8Very low29.5Very low125 Ų125123.9 Ų123.967%0.66871%0.71SS**  trans14.3122.1132-43.120.8000116.7
699N33Very low29.4Very low153 Ų153126.1 Ų126.182%0.81871%0.712SS**  cis-151.5150.248-82.9-33.3000114
700D31.6Very low29.4Very low137 Ų137127.7 Ų127.773%0.73371%0.711SS**  trans-92.7-166.4177.2-45.7-90.8000112.1
701P35.9Very low29.6Very low117 Ų117128 Ų12876%0.7671%0.713SS**  cis-125.3168.2-15.738.4-22.9000113.7
702S25.1Very low29.6Very low78 Ų78129.7 Ų129.755%0.54572%0.716SS.*  cis871044.285.20000120.3
703I27.4Very low29.3Very low152 Ų152132 Ų13278%0.77972%0.724SS**  trans72157.7134.2-67.5171.6000115.8
704H29.1Very low29.6Very low176 Ų176131.7 Ų131.782%0.81572%0.723SS**  cis-134.3-150.28.7-140.3-49.2000112.9
705S25.8Very low29.5Very low73 Ų73133.4 Ų133.451%0.5173%0.727SS.*  trans-139.6150.3-159.2590000114.3
706I25.2Very low29.3Very low154 Ų154133.9 Ų133.979%0.7973%0.73SS**  trans62.3145.3134.7-70.4173.1000120.3
707L26.5Very low29.1Very low143 Ų143135.6 Ų135.675%0.74973%0.729SS**  trans89.8125165-78.9156.7000120.6
708N28.3Very low28.7Very low127 Ų127136.7 Ų136.768%0.67973%0.731SS**  trans72.1126.9145.1-66.7-8.2000122.1
709N26.4Very low28.6Very low126 Ų126136.4 Ų136.467%0.67474%0.738SS**  52.1139.1127.7-6028.3000119.4
710E28.9Very low28.2Very low148 Ų148136.5 Ų136.569%0.69274%0.739SS**  cis-164.4143.314.9-130.3159.4-117.900110.6
711T29.9Very low27.9Very low131 Ų131134.7 Ų134.780%0.80474%0.737SS**  trans62.6154.9165.973.10000116.6
712I30.3Very low27.6Very low154 Ų154135.6 Ų135.679%0.7974%0.736SS**  cis-126.1142.18.1-69.8172.3000109.1
713L23.4Very low27.7Very low160 Ų160137.2 Ų137.284%0.83874%0.742SS**  trans-103.6-178170.5-62.9170.5000110.9
714P35.3Very low27.8Very low114 Ų114138 Ų13874%0.7475%0.745SS**  -85.1-166.2-127.839.6-20.2000113.4
715I27.7Very low27.7Very low137 Ų137136 Ų13670%0.70374%0.74SS**  trans164.7135.7133.9-87.8156.5000111.4
716E27.7Very low27.8Very low173 Ų173135.9 Ų135.981%0.80874%0.739SS**  trans54.8170.6159.6-75.3156.7-142.700120.1
717H28.6Very low27.8Very low156 Ų156135.1 Ų135.172%0.72274%0.737SS**  -163.1146.2-59.4-124-62.7000108
718N25.1Very low27.7Very low137 Ų137135.4 Ų135.473%0.73374%0.739SS**  trans35.2106.1153.4-57.1-1.3000120.9
719S28.7Very low27.6Very low118 Ų118133.2 Ų133.283%0.82573%0.734SS**  175.3120115.237.80000110.4
720N25.1Very low27.7Very low155 Ų155133.9 Ų133.983%0.82974%0.737SS**  78.4125.369.3-94.2-5.3000115.4
721S26.1Very low27.9Very low100 Ų100133.6 Ų133.670%0.69974%0.739SS**  trans68.9142.916779.50000115.7
722N29.3Very low27.9Very low135 Ų135132.5 Ų132.572%0.72273%0.733SS**  cis-145.4147.331.5-91.1-64.2000115.9
723T27.2Very low27.8Very low112 Ų112131.9 Ų131.969%0.68773%0.731SS**  trans1.9126.5143.662.40000120.2
724M28.5Very low28.2Very low170 Ų170128.9 Ų128.984%0.83772%0.723SS**  170.7126.4109-90.3-163.9-178.500108.3
725N27.7Very low27.9Very low132 Ų132131.4 Ų131.471%0.70673%0.73SS**  86.213262-169.536.7000113.2
726S27.1Very low28.1Very low71 Ų71128.7 Ų128.750%0.49774%0.736SS.*  trans54.2106.6157.162.30000120.6
727N25Very low28.1Very low138 Ų138128.2 Ų128.274%0.73874%0.739SS**  70.5141.8114.2-56.2-13000121.7
728N26.2Very low28.1Very low149 Ų149125.1 Ų125.180%0.79774%0.735SS**  trans70.2147.4142-68.8-3.3000118.5
729S24.8Very low28.2Very low82 Ų82125.4 Ų125.457%0.57374%0.737SS**  cis-166-159.3-16.351.10000107.5
730N30.1Very low28.1Very low139 Ų139126.1 Ų126.174%0.74373%0.731SS**  trans84.3137.8167.3-44.9-21.8000113.3
731I31.4Very low28.2Very low143 Ų143125 Ų12573%0.73372%0.724SS**  cis-152.8142.83.8-128.8165.9000112.4
732T30.7Very low28.4Very low108 Ų108127.6 Ų127.666%0.66373%0.73SS**  trans55123.1158.659.10000123.9
733N28.8Very low28.2Very low140 Ų140127.2 Ų127.275%0.74973%0.728SS**  83.8108.2122.4-63.13.4000123.5
734S31.4Very low28.3Very low97 Ų97128.6 Ų128.668%0.67873%0.731SS**  91.7121.7116.470.20000122.2
735N29.7Very low28.3Very low167 Ų167127.7 Ų127.789%0.89373%0.729SS**  trans64.3124.6141.3-56.6-5.6000120.4
736G30Very low28Very low80 Ų80126.5 Ų126.583%0.82573%0.73SS**  trans170.5109.7164.300000112.9
737N28.3Very low27.9Very low164 Ų164130.2 Ų130.288%0.87774%0.743SS**  trans-75.8153.6-172-103.6-7.7000115.3
738S28.3Very low27.9Very low91 Ų91129.5 Ų129.564%0.63674%0.739SS**  trans69.7118.813865.70000122.7
739N28Very low28Very low142 Ų142128.7 Ų128.776%0.75973%0.731SS**  83.2112.9125.5-62.97.2000121.8
740N27.3Very low28.1Very low133 Ų133132.9 Ų132.971%0.71174%0.739SS**  107120.9119.5-79.812000121.7
741I27.1Very low28Very low132 Ų132132 Ų13268%0.67773%0.734SS**  trans74.4115.4141.6-58.2161.7000118
742N29.1Very low27.9Very low154 Ų154130.8 Ų130.882%0.82473%0.729SS**  -163.6177.5123.3-96.4-34.9000110.4
743N26.3Very low27.8Very low128 Ų128133.9 Ų133.968%0.68473%0.734SS**  trans-99174.6-152.4-61.5-21.7000116.8
744D28.3Very low27.8Very low141 Ų141133.3 Ų133.375%0.75473%0.73SS**  trans105.8129.4139.3-66.4-43.2000122.5
745L28Very low27.6Very low151 Ų151135.9 Ų135.979%0.79173%0.731SS**  trans57.9106.1147.6-65.8167.7000122.3
746C23.1Very low27.5Very low107 Ų107135 Ų13572%0.72373%0.726SS**  69.2128.8129.2-69.80000122.8
747L24.9Very low27.3Very low148 Ų148137.3 Ų137.378%0.77572%0.724SS**  trans72.3114.3150.2-64.6169.1000119.5
748N23.7Very low27.7Very low123 Ų123134.5 Ų134.566%0.65872%0.715SS**  61.6144.7122.9-64.627.6000119.4
749E28.3Very low27.7Very low132 Ų132134.9 Ų134.962%0.61772%0.717SS**  cis-168.316215.6-127160.7-142.100112.9
750F27.2Very low27.7Very low170 Ų170135.3 Ų135.375%0.74672%0.719SS**  trans60.1163.2151.5-65.1-48.2000121.1
751D28.7Very low27.6Very low121 Ų121134.1 Ų134.165%0.64772%0.72SS**  cis-154.7171.8-1-134.54.2000110.5
752N29.6Very low27.5Very low117 Ų117134.7 Ų134.763%0.62673%0.725SS**  cis-133.4-87.1-8.9-170.8-106.5000111.4
753F28.2Very low27.3Very low174 Ų174132.3 Ų132.376%0.76372%0.719SS**  cis-157.6124.8-16.1-137.8-28.4000111.8
754L28.1Very low27.3Very low127 Ų127133.5 Ų133.567%0.66572%0.724SS**  trans61.1131.6170.2-69.7129000117.9
755H28Very low27.2Very low151 Ų151132.7 Ų132.770%0.69972%0.718SS**  cis-167.1160.6-8.7-138.7-149.3000112.7
756L27.3Very low27.2Very low150 Ų150132.8 Ų132.879%0.78572%0.719SS**  trans76.6156.6155.3-66.8162.1000122.3
757T24.7Very low27.3Very low128 Ų128132.3 Ų132.379%0.78572%0.716SS**  trans-149.7-169.9-173.866.70000108.2
758P36.9Very low27.6Very low105 Ų105135.6 Ų135.668%0.68272%0.724SS**  cis-137.1172.9-13.239-20.1000116.8
759S29.3Very low27.8Very low99 Ų99132.7 Ų132.769%0.69272%0.723SS**  trans57.9129.7143.464.70000125.7
760N27.9Very low28Very low150 Ų150133.5 Ų133.580%0.80273%0.732SS**  trans86.3118.7139.5-73.46.1000124.5
761C24.6Very low28.2Very low108 Ų108131.1 Ų131.173%0.7373%0.731SS**  trans76.7115.7138.2-66.80000123.2
762N26.3Very low28.4Very low145 Ų145132.6 Ų132.678%0.77574%0.739SS**  trans71.2109.4142.1-70.411.3000122.3
763C24.4Very low28.7Very low103 Ų103134.4 Ų134.470%0.69675%0.749SS**  82.1128.9127.3-65.10000121.4
764I25.2Very low28.8Very low153 Ų153133.9 Ų133.979%0.78575%0.754SS**  trans70.2132.5142-67.6169.9000115.3
765I27.7Very low29Very low125 Ų125131.6 Ų131.664%0.64176%0.761SS**  cis-179.9146.9-10.3-108.7164.7000102.2
766D26.8Very low28.9Very low152 Ų152131.6 Ų131.681%0.81377%0.766SS**  trans166.5161.9141-94-20.8000111.3
767C25.4Very low29Very low98 Ų98134 Ų13466%0.66277%0.766SS**  cis173.4138.6-45.7-100.90000108.7
768K31.1Very low29.1Very low216 Ų216136.9 Ų136.994%0.93976%0.764SS**  trans149.7144.9170.7-93.1164.4-178.9-176.90107.2
769G29.1Very low28.6Very low62 Ų62137.3 Ų137.364%0.63976%0.764SS**  cis-178155.3-3.600000104.3
770D30.9Very low28.5Very low150 Ų150138.3 Ų138.380%0.80277%0.767SS**  cis-155.1152.929.7-67.9-38.6000106.6
771V32.6Very low28.4Very low119 Ų119137.2 Ų137.272%0.72177%0.765SS**  67.1133.963.9179.30000112.6
772D32.6Very low28.6Very low152 Ų152140.5 Ų140.581%0.81377%0.767SS**  cis-90.7-125.13-58.7-83.9000114.2
773D36Very low28.8Very low156 Ų156138.8 Ų138.883%0.83476%0.757SS**  cis-158.9167.18.4-170.313.3000110.6
774D30.9Very low29.1Very low163 Ų163140 Ų14087%0.87276%0.757SS**  trans-130.5170.9-161.1-91.2-46.2000117.9
775G31.5Very low29.4Very low79 Ų79138.7 Ų138.781%0.81475%0.752SS**  trans-175.738.317900000121.7
776D26.5Very low29.6Very low150 Ų150139.6 Ų139.680%0.80276%0.758SS**  trans-74.3156.9177.1-103-29.5000115.4
777Y29.2Very low29.7Very low202 Ų202136.5 Ų136.579%0.79275%0.753SS**  trans-156.697.2150.2-111.5-78.4000118.1
778Y26.5Very low29.8Very low188 Ų188139 Ų13974%0.73776%0.759SS**  trans52.1163.8143.2-66.6-109.9000122.3
779V26.1Very low29.7Very low114 Ų114134.5 Ų134.569%0.69175%0.746SS**  cis-147.7150.56.2-149.10000111.6
780T26.9Very low29.7Very low120 Ų120137.3 Ų137.374%0.73675%0.746SS**  trans42.1123.5152.9460000121.9
781V26.1Very low29.5Very low127 Ų127138.8 Ų138.877%0.7774%0.742SS**  cis94.3120.848.6166.70000115.3
782K29.3Very low29.4Very low177 Ų177142.1 Ų142.177%0.7775%0.746SS**  trans149.5134.7148.7-85.4-174.6160.3-84.60109.6
783D31Very low29.1Very low108 Ų108138.7 Ų138.758%0.57875%0.747SS**  cis-156.1161.7-6.5-98-31.7000110.5
784N30.9Very low28.7Very low128 Ų128138.4 Ų138.468%0.68475%0.746SS**  trans79.798.1159.6-61-48.7000122.3
785N31.4Very low28.6Very low126 Ų126135.7 Ų135.767%0.67474%0.735SS**  68.5138.9118-50.7-25.3000121.2
786N30.7Very low28.5Very low144 Ų144138.4 Ų138.477%0.7773%0.731SS**  cis-161.5167.9-12.6-117.5-18.1000113.6
787A29.6Very low28.7Very low87 Ų87140 Ų14072%0.71973%0.731SS**  trans-42.5172.2162.800000116.1
788L26.7Very low28.6Very low150 Ų150136.6 Ų136.679%0.78573%0.726SS**  cis155.4159.6-12.1-171.376.7000105.1
789N29.3Very low28.6Very low123 Ų123135.3 Ų135.366%0.65872%0.724SS**  trans76.9116.4160.9-77.86000122.3
790D30Very low28.7Very low121 Ų121135.7 Ų135.765%0.64772%0.718SS**  95.2122.5119.1-68.7-32.9000125.6
791Y26.8Very low28.8Very low181 Ų181137.7 Ų137.771%0.7172%0.717SS**  trans64.5113.3140.2-84.4-104.1000123.9
792K28.7Very low29.1Very low188 Ų188140.7 Ų140.782%0.81772%0.719SS**  trans41.1111.2136.6-60.4-176.1-173.2174.90119.6
793G27.9Very low29.1Very low80 Ų80140.1 Ų140.183%0.82572%0.717SS**  trans-168.3158.4160.300000111.1
794N27.6Very low29.6Very low151 Ų151140.1 Ų140.181%0.80772%0.723SS**  trans-135.7153.4-172.5-1570.3000114.1
795T28.7Very low30Very low106 Ų106139.4 Ų139.465%0.6573%0.726SS**  trans73.3118.5165.162.40000122.4
796N28Very low29.9Very low135 Ų135142.8 Ų142.872%0.72273%0.734SS**  81.9121.2129.9-76.3-37000124.5
797K31.9Very low29.7Very low184 Ų184140.3 Ų140.380%0.873%0.728SS**  trans72.8148.7145.7-62.9178.8179.11780117
798L26.1Very low29.5Very low131 Ų131140.9 Ų140.969%0.68673%0.727SS**  cis-156.2138.4-0-150.770.6000114.2
799F27Very low29.3Very low161 Ų161140.7 Ų140.771%0.70673%0.726SS**  trans70132.4139.8-89.6-155.9000127
800Q27.8Very low29.1Very low121 Ų121144.4 Ų144.457%0.56573%0.732SS**  trans71.1143.8142.8-66.7-177.326.800118.6
801K30.5Very low29.1Very low163 Ų163145.1 Ų145.171%0.70974%0.736SS**  cis-155.9161.83.4-113.1154.7178.7153.80107
802K30.9Very low29.4Very low190 Ų190142.4 Ų142.483%0.82674%0.74SS**  cis-117.6170.33.6-48.3174.3-176.9173.50109
803F30.8Very low29.2Very low165 Ų165140.3 Ų140.372%0.72474%0.737SS**  cis85.7140.813.1-72.3-105.4000117.8
804P41Very low29.1Very low107 Ų107143 Ų14370%0.69573%0.733SS**  cis-133.6173.7-16.826.9-3.6000115
805P39.1Very low29.1Very low114 Ų114142.3 Ų142.374%0.7473%0.728SS**  cis-137.3-114.131.340.5-17.8000117.8S807P805-S807 PolarHBondContact O-OG 3.38Å
806K28.9Very low29.1Very low197 Ų197145.3 Ų145.386%0.85773%0.734SS**  trans-99.5140.2-152-75.2-165.9174.2-174.60113
807S26.3Very low29Very low92 Ų92143.5 Ų143.564%0.64372%0.724SS**  cis61.7142.7-4.477.20000120.7P805P805-S807 PolarHBondContact O-OG 3.38Å
808S25Very low28.8Very low98 Ų98143 Ų14369%0.68572%0.722SS**  -178132.3-54.943.10000112
809L23.7Very low28.8Very low146 Ų146141.4 Ų141.476%0.76472%0.722SS**  trans63.1176.4159.4-57.4173.2000115.9
810Y23.7Very low28.9Very low201 Ų201138.7 Ų138.779%0.78872%0.723SS**  cis-151.6-178.1-0.2-138.5-14.8000112.4
811N30.3Very low28.9Very low137 Ų137138.2 Ų138.273%0.73373%0.732SS**  trans-74.4153166.1-84.67.7000111.1
812P33.7Very low28.8Very low124 Ų124141.6 Ų141.681%0.80574%0.742SS**  -147.9-167.784.239.8-19.8000115.3
813L25.4Very low28.7Very low144 Ų144135.9 Ų135.975%0.75474%0.737SS**  trans-104.8-172.8-172.3-46.7175.7000111.2
814D25.7Very low28.6Very low137 Ų137134.1 Ų134.173%0.73374%0.735SS**  cis-163.2-160.19.6-148.4-64.5000109.8
815I27.5Very low28.1Very low135 Ų135136.7 Ų136.769%0.69274%0.736SS**  trans96.9118.1154.3-51.8-163.2000119.6
816E27.1Very low27.3Very low169 Ų169136 Ų13679%0.7973%0.733SS**  trans73.4146.2153.3-77.7-165.8-135.500123
817N26.7Very low27.2Very low97 Ų97132.4 Ų132.452%0.51973%0.728SS.*  cis-168.3147.8-22.4-135.6-23.4000112.3
818K27.7Very low27.1Very low174 Ų174133.8 Ų133.876%0.75773%0.733SS**  trans64.4155.2149.4-77.1156.4-168.8161.10120.6
819S27.2Very low27.1Very low97 Ų97135 Ų13568%0.67874%0.736SS**  cis-167.7174.3-5.846.50000114.3
820S28.2Very low27.3Very low105 Ų105133.6 Ų133.673%0.73473%0.734SS**  trans70.1143.3151.348.30000119.7
821C27.3Very low27.6Very low111 Ų111130.2 Ų130.275%0.7573%0.734SS**  cis-157.5166.9-9.3-98.30000107.2
822Y29Very low27.5Very low233 Ų233129.1 Ų129.191%0.91473%0.732SS**  cis-125.9171.218-76-114000109
823G29.6Very low27.3Very low70 Ų70130.4 Ų130.472%0.72273%0.731SS**  cis118.9136.627.200000108.9
824D28.5Very low27.5Very low129 Ų129130 Ų13069%0.6973%0.729SS**  cis-165.3151.44.8-148.510.5000113.6
825K29.3Very low27.8Very low161 Ų161128.2 Ų128.270%0.773%0.726SS**  trans46.5110.7149.6-72.6169.1-167.982.30126.3
826S23.4Very low27.9Very low98 Ų98127 Ų12769%0.68572%0.721SS**  49.8130.7117.467.50000126.7
827T25.3Very low28.1Very low122 Ų122127 Ų12775%0.74872%0.719SS**  trans77.9134.2136.647.50000124.9
828T24.8Very low28.1Very low122 Ų122129 Ų12975%0.74873%0.729SS**  trans78.1121.8148.139.20000123.8
829T25.3Very low28Very low124 Ų124127 Ų12776%0.76173%0.726SS**  trans77.4144143.738.70000124.1
830T28.6Very low27.9Very low116 Ų116131.8 Ų131.871%0.71273%0.731SS**  trans73.6115.9151.537.20000122.3
831T28.8Very low27.9Very low129 Ų129132.4 Ų132.479%0.79173%0.726SS**  trans64.2147136.157.70000121.4
832T28.4Very low27.7Very low114 Ų114134 Ų13470%0.69973%0.727SS**  cis-166.6172.5-24.1-60.80000106.1
833I30.2Very low27.5Very low151 Ų151133.5 Ų133.577%0.77473%0.725SS**  trans77.3125.4166.8-49.7179.5000113.7
834L30Very low27.2Very low135 Ų135136.8 Ų136.871%0.70773%0.726SS**  cis-163.1165-23.6-134.359.7000104
835C30.3Very low27.1Very low100 Ų100138.5 Ų138.568%0.67674%0.735SS**  cis-126.9-111.922.2-900000115.5
836N31.2Very low26.8Very low111 Ų111136.6 Ų136.659%0.59474%0.737SS**  -158162.7-126.4-69.1-32.1000112.3
837K30.9Very low27.1Very low168 Ų168139.8 Ų139.873%0.7375%0.745SS**  cis-169.9147-21-98.2173.5-176-179.50104.4
838L27.4Very low27.1Very low140 Ų140140.7 Ų140.773%0.73374%0.744SS**  cis-158.3173.8-9.4-123.5169.5000107.8Y840L838-Y840 HydrophobicContact CD2-CD2 4.24Å; L838-Y840 HydrophobicContact CD2-CE2 4.27Å
839N24Very low27.3Very low131 Ų131142 Ų14270%0.70175%0.746SS**  trans-135.3131.6176.6176.830.5000109.7
840Y25.9Very low27.4Very low197 Ų197142.2 Ų142.277%0.77374%0.742SS**  trans-167.6140.5172.3-95.8-86.3000109L838L838-Y840 HydrophobicContact CD2-CD2 4.24Å; L838-Y840 HydrophobicContact CD2-CE2 4.27Å
841N27.8Very low27.4Very low118 Ų118142.4 Ų142.463%0.63174%0.739SS**  cis-164.5161.3-28-117.78.5000109.7
842N23.4Very low27.3Very low144 Ų144143 Ų14377%0.7774%0.737SS**  trans-78.7159166.6-72-27.5000112.1
843Y25.2Very low27.3Very low224 Ų224147 Ų14788%0.87875%0.745SS**  trans-141.3130.8144.2-112.8-81.3000109.9
844N23Very low27.2Very low138 Ų138144.4 Ų144.474%0.73874%0.741SS**  trans-105.1149.8162.6-72-24.4000107.6
845D27.2Very low26.9Very low165 Ų165145.3 Ų145.388%0.88275%0.746SS**  -168.2172.6118.6-105.9-29.6000112.4
846T23Very low26.8Very low122 Ų122147.4 Ų147.475%0.74876%0.756SS**  trans-119.3143.5-165.3-500000112
847I28.5Very low26.5Very low165 Ų165149.4 Ų149.485%0.84677%0.765SS**  trans-167.8163148.6-104.1151000112.1
848L24.8Very low26.3Very low141 Ų141148.7 Ų148.774%0.73877%0.768SS**  trans-87.3154.5-166.7-55.870000114.2
849L29.1Very low26.1Very low150 Ų150148.7 Ų148.779%0.78576%0.763SS**  169.9130.8107.2-95.1150.4000116.5
850N27.1Very low26.2Very low127 Ų127149.8 Ų149.868%0.67977%0.77SS**  trans40.1117.7145.1-77.4-6.3000124.9
851N29.1Very low26.2Very low121 Ų121145.9 Ų145.965%0.64776%0.761SS**  70.2103.1120.5-60.1-23.1000123.5
852N26Very low26.2Very low141 Ų141146.9 Ų146.975%0.75477%0.766SS**  53.6110.5118.4-55-25.1000121.4
853K30Very low26.4Very low197 Ų197144.9 Ų144.986%0.85776%0.763SS**  -178.1141.997.5-101.8179179.6179.90115.9
854S27.4Very low26.5Very low98 Ų98144.5 Ų144.569%0.68576%0.762SS**  trans68.6106.2144.7-55.90000122.8
855N24.6Very low26.6Very low153 Ų153146.5 Ų146.582%0.81877%0.767SS**  trans56.1106.1132.5-58.12.3000121.5
856T27.3Very low26.4Very low145 Ų145144.3 Ų144.389%0.8976%0.762SS**  -157.8165.9116.90.90000112.9
857I24.4Very low26.6Very low153 Ų153146.4 Ų146.479%0.78577%0.768SS**  trans-64.2139.9-170.3-47.1163.2000112.8
858I26.4Very low26.5Very low152 Ų152146.9 Ų146.978%0.77977%0.773SS**  168.4148.7129.5-88.1167.9000113
859H24.6Very low26.5Very low140 Ų140143.6 Ų143.665%0.64877%0.773SS**  trans-24.2145.3177.4-68.3-107.7000121.9I861H859-I861 HydrophobicContact CB-CD1 4.19Å; H859-I861 HydrophobicContact CB-CG1 4.26Å; H859-I861 WeakPolarHBondContact ND1-CD1 3.26Å
860N26.4Very low26.4Very low155 Ų155144.5 Ų144.583%0.82978%0.777SS**  -144138.7113.1-86.9-20.7000105.8
861I25.9Very low26.3Very low114 Ų114147.3 Ų147.359%0.58579%0.786SS**  cis63.392.225.9-49.5-178.9000113.2H859H859-I861 HydrophobicContact CB-CD1 4.19Å; H859-I861 HydrophobicContact CB-CG1 4.26Å; H859-I861 WeakPolarHBondContact ND1-CD1 3.26Å
862D27.4Very low26.1Very low139 Ų139146.5 Ų146.574%0.74379%0.79SS**  trans-117.1121.1145.6-95.3-54.9000107.1
863S27Very low26.2Very low102 Ų102146.7 Ų146.771%0.71379%0.79SS**  trans-146.896.1177.9-70.10000109.2H865S863-H865 PolarHBondContact O-N 3.39Å
864Y26.4Very low26.1Very low217 Ų217143.6 Ų143.685%0.85178%0.782SS**  trans-87.8101.8173.4-79.7-89.8000109.5
865H25.3Very low25.9Very low180 Ų180147.4 Ų147.483%0.83379%0.789SS**  trans-137.394.8173.2-141.1-69.4000111.7S863S863-H865 PolarHBondContact O-N 3.39Å
866C24.2Very low26Very low118 Ų118150.3 Ų150.380%0.79780%0.795SS**  trans-164.8143160.6-94.90000105.8
867L27Very low26Very low166 Ų166151.3 Ų151.387%0.86979%0.789SS**  cis-124.9157.719.9-68.5157.9000112.1
868N25.5Very low25.9Very low176 Ų176150.5 Ų150.594%0.94179%0.785SS**  trans-139.6145.2160.3-131.72.2000107.3
869G26.5Very low25.9Very low72 Ų72152.9 Ų152.974%0.74279%0.79SS**  trans135.366.6172.300000117.7
870I25.3Very low25.9Very low169 Ų169153.3 Ų153.387%0.86780%0.796SS**  trans-134.5120.1136.4-61.9-176000106.8
871E25.5Very low25.7Very low186 Ų186155 Ų15587%0.86979%0.792SS**  trans-98.7141.1164.4-66.2-17612000109.6
872S26Very low25.6Very low104 Ų104156.7 Ų156.773%0.72780%0.802SS**  177.1151.2127.646.10000113.1
873L27.5Very low25.5Very low144 Ų144156.3 Ų156.375%0.75480%0.796SS**  trans69.5102.6155.3-67.4161000120.4
874N26.6Very low25.7Very low132 Ų132158.5 Ų158.571%0.70680%0.795SS**  77.2107.4129-61.51.1000121.2
875E23.2Very low25.6Very low178 Ų178156.4 Ų156.483%0.83280%0.798SS**  25.4113.4121-58.1-174.3142.700119.1
876K28.1Very low25.7Very low214 Ų214154.4 Ų154.493%0.9379%0.787SS**  -163.1151.2120.7-109.4152.2-170.9167.10115.3
877H26Very low25.8Very low166 Ų166154.8 Ų154.877%0.76979%0.79SS**  trans-60.2145.4-173.8-90.6-132.9000116.6
878I22.8Very low25.7Very low136 Ų136154.1 Ų154.170%0.69779%0.786SS**  trans41.5112.8130.3-50177.3000118
879K27.3Very low25.9Very low202 Ų202149.7 Ų149.788%0.87877%0.769SS**  -160.1112.4129.9-114.4166.4-174.1176.60115.4
880L24.1Very low26Very low149 Ų149150 Ų15078%0.7876%0.758SS**  trans9131.8149.7-66.2164.3000121.3
881Y21.6Very low26.1Very low191 Ų191146.5 Ų146.575%0.74975%0.748SS**  26.1105123.3-100.9-90.9000118.2
882N23.4Very low26.1Very low149 Ų149145.1 Ų145.180%0.79775%0.746SS**  164.785.9114.2-88-50.3000113.8
883E27.1Very low26.1Very low131 Ų131148.8 Ų148.861%0.61276%0.757SS**  trans-173142.9141.5-103.4-172.8152.500105.8K886E883-K886 WeakPolarHBondContact OE1-CE 3.29Å; E883-K886 IonicContact OE1-NZ 3.82Å; E883-K886 PolarHBondContact OE1-NZ 3.05Å
884H30.7Very low26Very low148 Ų148146.8 Ų146.869%0.68575%0.754SS**  cis-125.4141.324.4-80.4-120.2000114
885N23.9Very low26.1Very low174 Ų174146.7 Ų146.793%0.9376%0.764SS**  trans-135.260149.3-129.2-50.5000109.7
886K26.8Very low26.2Very low138 Ų138143.7 Ų143.760%0.676%0.763SS**  trans-115.8150.1172.8-79.1170.5179158.80108.9E883E883-K886 WeakPolarHBondContact OE1-CE 3.29Å; E883-K886 IonicContact OE1-NZ 3.82Å; E883-K886 PolarHBondContact OE1-NZ 3.05Å
887C26.3Very low26.1Very low125 Ų125139.1 Ų139.185%0.84576%0.758SS**  trans66.887.1173.6-60.40000117.2
888L25.3Very low26.3Very low153 Ų153136.7 Ų136.780%0.80176%0.76SS**  -103.4134.7118.4-93.5168.3000107.8
889S30.2Very low26.5Very low83 Ų83134.9 Ų134.958%0.5876%0.759SS**  trans-84.6-169.9-166.453.60000113.2
890P29Very low26.8Very low78 Ų78130.5 Ų130.551%0.50675%0.754SS.*  -138174.790.639.7-26.9000113.9A1008 N1010P890-A1008 HydrophobicContact CG-CB 4.26Å; P890-N1010 WeakPolarHBondContact CD-ND2 3.41Å; P890-N1010 HydrophobicContact CG-CB 4.37Å; P890-N1010 WeakPolarHBondContact CG-ND2 3.33Å
891S26.6Very low27.1Very low95 Ų95131.4 Ų131.466%0.66475%0.754SS**  trans-95.3165.2-165-33.50000114.4
892L24.8Very low27.7Very low157 Ų157126.5 Ų126.582%0.82275%0.747SS**  trans65.4107.8152.8-61.4165.3000118.5
893L27.2Very low28.2Very low182 Ų182124.8 Ų124.895%0.95375%0.747SS**  -128.6153.4116.5-121.7103.7000109
894S25.2Very low28.5Very low101 Ų101122.9 Ų122.971%0.70675%0.748SS**  trans-109.1153.5-16748.90000113.5
895S27.7Very low28.4Very low131 Ų131119.7 Ų119.792%0.91674%0.742SS**  trans-162.3141.3143.7-79.50000108.9
896S25.8Very low28.6Very low115 Ų115120.8 Ų120.880%0.80474%0.735SS**  trans-127.7155.2-176.751.40000110.8
897S25.6Very low28.6Very low117 Ų117121.8 Ų121.882%0.81875%0.746SS**  trans-179.5115.9149.828.80000113.2
898S30.9Very low29Very low115 Ų115122 Ų12280%0.80474%0.743SS**  trans173.5145.9137.1380000110.6
899S27.5Very low29.3Very low98 Ų98117.6 Ų117.669%0.68574%0.735SS**  cis-170104.2-47.137.10000110.2
900S32.2Very low29.3Very low110 Ų110120 Ų12077%0.76974%0.741SS**  trans-158.5103.4162.253.40000109.1
901H32Very low29.4Very low169 Ų169123.5 Ų123.578%0.78275%0.751SS**  84.1122.971-77-53.5000112.1
902S33.1Very low29.8Very low87 Ų87123.9 Ų123.961%0.60875%0.753SS**  cis-163.3157.3-7.2-65.20000111.3
903S33.6Very low30.3Very low114 Ų114121.8 Ų121.880%0.79775%0.747SS**  trans64.7157143.1-66.40000119.6
904S33.3Very low30.8Very low91 Ų91119.2 Ų119.264%0.63674%0.741SS**  cis-160.5136.4-8.5-111.50000107.8
905S28.8Very low31.1Very low80 Ų80120.2 Ų120.256%0.55974%0.744SS**  70.3149.376.2880000113.9
906Y28.2Very low31.7Very low198 Ų198119.1 Ų119.178%0.77673%0.733SS**  cis-163.4160.525.7-99.6-50.5000114
907L27.3Very low32.1Very low158 Ų158121 Ų12183%0.82773%0.732SS**  trans63.4165148.7-64.2163.2000118.4
908T35.6Very low32.5Very low129 Ų129119.6 Ų119.679%0.79172%0.723SS**  cis-122.3166.61.252.20000110.3
909G30Very low32.6Very low61 Ų61121.4 Ų121.463%0.62972%0.722SS**  cis100.5145.838.500000111.1
910N30.8Very low33.1Very low133 Ų133122.9 Ų122.971%0.71173%0.729SS**  cis-171.5164.2-2.4-127-5.9000114.5
911H31.8Very low33Very low153 Ų153122.9 Ų122.971%0.70873%0.729SS**  trans63.1161.8157.7-51-43.9000120.4
912S33.7Very low33.1Very low102 Ų102121.3 Ų121.371%0.71373%0.732SS**  cis-138.3142.95.6-58.80000109.2
913T35.9Very low33.2Very low114 Ų114122.2 Ų122.270%0.69974%0.738SS**  63.3129.556.967.20000115.3
914P38.1Very low33.3Very low127 Ų127121.6 Ų121.683%0.82573%0.733SS**  -138.8-179.58740.5-26.8000116.7
915T32.2Very low33.3Very low123 Ų123122 Ų12276%0.75574%0.737SS**  trans-131.1-157.1-175.957.50000109.1
916P40.1Very low33.6Very low107 Ų107124.2 Ų124.270%0.69575%0.747SS**  cis-136-143.8-10.240.6-18.3000113.6
917I34.1Very low33.8Very low154 Ų154119.7 Ų119.779%0.7974%0.744SS**  trans89.3138.3179.9-62.9172000113.5
918S33.5Very low34.1Very low88 Ų88117.1 Ų117.162%0.61574%0.739SS**  cis-165.1165.4-17.5-91.40000108.6
919I32Very low33.8Very low154 Ų154116 Ų11679%0.7974%0.737SS**  cis83.3134.626.8-60.2169.5000113
920P39.4Very low33.9Very low128 Ų128117.7 Ų117.783%0.83174%0.739SS**  cis-123.3-156.41043.5-27.6000115.8
921S29.8Very low33.8Very low110 Ų110117.4 Ų117.477%0.76974%0.742SS**  trans-128.1157.7-15457.60000117.7
922T34.1Very low33.8Very low137 Ų137117.8 Ų117.884%0.8475%0.749SS**  trans-159.4155.5160.240.20000108.3
923S34.7Very low33.6Very low105 Ų105117.1 Ų117.173%0.73474%0.744SS**  cis177.3149.2-19.250.10000106.8
924S35.2Very low33.2Very low101 Ų101119.7 Ų119.771%0.70675%0.752SS**  cis-172.3179.9-9.551.90000108.7
925S33.3Very low32.9Very low101 Ų101118.1 Ų118.171%0.70674%0.744SS**  trans62.2135.916142.30000119.4
926T35.3Very low32.8Very low125 Ų125116.9 Ų116.977%0.76774%0.741SS**  cis-166.2150.6-4.911.30000110.5
927S32.7Very low32.4Very low104 Ų104118.1 Ų118.173%0.72775%0.747SS**  trans28.5151.814662.40000123.2
928S33.1Very low32.1Very low103 Ų103115.2 Ų115.272%0.7274%0.74SS**  cis-177.7144.9-1350.60000111.5
929S30.8Very low32Very low106 Ų106117.5 Ų117.574%0.74175%0.75SS**  trans27.8136.1143.4-48.20000124.8
930S31.5Very low32.3Very low96 Ų96115.2 Ų115.267%0.67175%0.746SS**  80.4108.5128.859.60000124.3
931T28.9Very low31.8Very low128 Ų128114.5 Ų114.579%0.78574%0.744SS**  80.8155.8125.757.30000123.3
932L31Very low31.9Very low161 Ų161115.7 Ų115.784%0.84374%0.74SS**  trans91137.1172.7-54.9174.3000117.1
933S30.4Very low31.7Very low88 Ų88116.7 Ų116.762%0.61574%0.739SS**  cis-177.8130.5-41.4420000111.5
934L27.2Very low31.4Very low167 Ų167117 Ų11787%0.87474%0.74SS**  trans65149.4159.8-89.667.4000116.8
935S32Very low31.3Very low94 Ų94116.9 Ų116.966%0.65774%0.74SS**  cis-150150.41.5-74.50000113.2
936S30.6Very low31.3Very low98 Ų98121.5 Ų121.569%0.68575%0.747SS**  trans38.4129144.462.70000125
937T30Very low31Very low133 Ų133121.3 Ų121.382%0.81675%0.746SS**  trans64.2141.3141.450.40000120.9
938S29.4Very low31Very low93 Ų93121.3 Ų121.365%0.6575%0.746SS**  cis-170.1131.6-5.344.20000115.2
939T30Very low30.7Very low135 Ų135121.7 Ų121.783%0.82874%0.74SS**  trans71175.3154.969.40000118.1
940P38.5Very low30.5Very low107 Ų107128.3 Ų128.370%0.69575%0.75SS**  -136.1155.8-87.939.5-21.1000118.7
941S30Very low30.4Very low112 Ų112129 Ų12978%0.78375%0.747SS**  trans-159.8154.3158.5-79.20000110.9
942I30.5Very low30.6Very low135 Ų135130.1 Ų130.169%0.69275%0.747SS**  cis114.4119.74-66.7166.1000114.1
943I30.2Very low30.4Very low159 Ų159128.4 Ų128.482%0.81574%0.739SS**  trans65.5138.5166.8-71.4168.7000115.8
944S29.7Very low30.3Very low110 Ų110130.6 Ų130.677%0.76974%0.743SS**  cis-152.6177.6-3.3-132.60000107.9
945S31.2Very low30.8Very low100 Ų100129.1 Ų129.170%0.69974%0.735SS**  cis-155.8163.61.156.50000106.5
946K34.4Very low30.6Very low198 Ų198132.2 Ų132.286%0.86175%0.745SS**  cis-131.3137.134.3-65.7178.3176.5179.20113.8
947V29.5Very low30.5Very low120 Ų120133.1 Ų133.173%0.72775%0.751SS**  trans-85.2148.6157.5172.60000107.6N949V947-N949 WeakPolarHBondContact CG1-OD1 3.38Å
948S31.4Very low30.6Very low104 Ų104132.1 Ų132.173%0.72774%0.74SS**  167.7154.9101.9450000110.5
949N28.5Very low30.6Very low111 Ų111132.9 Ų132.959%0.59474%0.74SS**SBendcis-155.5133-12-108.3-8.4000110.5V947V947-N949 WeakPolarHBondContact CG1-OD1 3.38Å
950Y25.3Very low31Very low245 Ų245134 Ų13496%0.96174%0.74SS**  trans-141.4107139.6-80.3-63.6000106.3
951N29.2Very low30.7Very low112 Ų112133.7 Ų133.760%0.59973%0.732SS**  trans-86.1142.7-167.9-153.3-5.5000110.5
952L32.9Very low31.1Very low151 Ų151137.8 Ų137.879%0.79174%0.739SS**SBendtrans-92.27-169.9-14685000114.1
953N27.2Very low31.6Very low125 Ų125138 Ų13867%0.66874%0.74SS**  trans-103.2-8.5-164.9-69-2.3000115.2L955N953-L955 PolarHBondContact O-N 3.34Å
954D29.7Very low32.6Very low133 Ų133133 Ų13371%0.71172%0.715SS**THydrogen-bonded Turntrans-80.642176.9-67.9-40.6000113.2
955L36.2Very low33.6Very low136 Ų136132.1 Ų132.171%0.71271%0.707SS**THydrogen-bonded Turntrans-119.7-1.4175.3-85.5171.3000114.5N953N953-L955 PolarHBondContact O-N 3.34Å
956N28.9Very low35Very low159 Ų159132.7 Ų132.785%0.8570%0.699SS**SBendtrans-116.235.6171.9-78.4-24.1000112.5
957S28.8Very low37.4Very low117 Ų117126.6 Ų126.682%0.81867%0.673SS**SBendtrans-151.441.7166.3-77.70000111.7
958I32.3Very low40.5Very low113 Ų113125.6 Ų125.658%0.57966%0.664SS**  trans-115.4110.5164.4-66.2176.4000106.6I960I958-I960 PolarHBondContact O-N 2.93Å
959T28.3Very low43.7Very low108 Ų108120.8 Ų120.866%0.66363%0.63SS**  trans-56.4120.6156.848.50000106.7N961T959-N961 PolarHBondContact O-N 3.12Å; T959-N961 PolarHBondContact OG1-OD1 3.13Å
960I39.1Very low46.9Very low160 Ų160119.8 Ų119.882%0.82162%0.624SS**  trans-73.575.6174.1-53.7179.8000107.3I958I958-I960 PolarHBondContact O-N 2.93Å
961N31.7Very low50.3Low99 Ų99108.1 Ų108.153%0.52958%0.579SS.*  trans-52.7146.5157.7-60.2-11.6000106.6T959 I963T959-N961 PolarHBondContact O-N 3.12Å; T959-N961 PolarHBondContact OG1-OD1 3.13Å; N961-I963 HydrophobicContact CB-CD1 3.95Å; N961-I963 HydrophobicContact CB-CG1 3.92Å; N961-I963 PolarHBondContact O-N 2.81Å
962E38.7Very low53.6Low199 Ų199103.1 Ų103.193%0.9355%0.552SS**SBendtrans-74.543.2-173-61.9166.4107.500112.8D964E962-D964 VanDerWaalsContact C-N 3.33Å; E962-D964 PolarHBondContact O-N 3.25Å
963I40.1Very low56.6Low138 Ų13898 Ų9871%0.70854%0.536SS*.  trans-95.670.6-174.8-51.8-179.7000109N961N961-I963 HydrophobicContact CB-CD1 3.95Å; N961-I963 HydrophobicContact CB-CG1 3.92Å; N961-I963 PolarHBondContact O-N 2.81Å
964D51.5Low59.8Low55 Ų5593.1 Ų93.129%0.29451%0.51SS..  77.157.5122.7-136.1-28.2000117.5E962 H966 Q967E962-D964 VanDerWaalsContact C-N 3.33Å; E962-D964 PolarHBondContact O-N 3.25Å; D964-H966 PolarHBondContact O-N 3.19Å; D964-H966 VanDerWaalsContact O-N 3.13Å; D964-H966 WeakPolarHBondContact OD1-CA 3.4Å; D964-H966 WeakPolarHBondContact OD1-CB 3.37Å; D964-H966 PolarHBondContact OD1-N 3.19Å; D964-H966 VanDerWaalsContact OD1-N 3.17Å; D964-Q967 HydrophobicContact CB-CB 3.98Å; D964-Q967 HydrophobicContact CB-CG 4.36Å; D964-Q967 PolarHBondContact O-N 2.94Å; D964-Q967 PolarHBondContact OD1-N 3.24Å; D964-Q967 WeakPolarHBondContact OD2-CG 3.33Å; D964-Q967 PolarHBondContact OD2-NE2 3.04Å
965C51.6Low62.9Low91 Ų9190.9 Ų90.962%0.61550%0.498SS*.THydrogen-bonded Turntrans-55.8-17.4151.569.10000112.1Q967 R984C965-Q967 VanDerWaalsContact C-N 3.27Å; C965-Q967 PolarHBondContact O-N 2.85Å; C965-R984 PolarHBondContact O-NH2 3.49Å
966H60.5Low65.7Low112 Ų11284.5 Ų84.552%0.51947%0.465SS..THydrogen-bonded Turntrans-78.95.7169.7-51.3-90000113.8D964 R984D964-H966 PolarHBondContact O-N 3.19Å; D964-H966 VanDerWaalsContact O-N 3.13Å; D964-H966 WeakPolarHBondContact OD1-CA 3.4Å; D964-H966 WeakPolarHBondContact OD1-CB 3.37Å; D964-H966 PolarHBondContact OD1-N 3.19Å; D964-H966 VanDerWaalsContact OD1-N 3.17Å; H966-R984 WeakPolarHBondContact O-CD 3.24Å; H966-R984 PolarHBondContact O-NE 3.05Å; H966-R984 PolarHBondContact O-NH1 2.58Å
967Q84.7Confident68.1Low70 Ų7081.6 Ų81.633%0.32746%0.463SS..THydrogen-bonded Turntrans-112.7-17.6175.5-101.2-171.572.800115.1D964 C965 N975 A976 R984D964-Q967 HydrophobicContact CB-CB 3.98Å; D964-Q967 HydrophobicContact CB-CG 4.36Å; D964-Q967 PolarHBondContact O-N 2.94Å; D964-Q967 PolarHBondContact OD1-N 3.24Å; D964-Q967 WeakPolarHBondContact OD2-CG 3.33Å; D964-Q967 PolarHBondContact OD2-NE2 3.04Å; C965-Q967 VanDerWaalsContact C-N 3.27Å; C965-Q967 PolarHBondContact O-N 2.85Å; Q967-N975 WeakPolarHBondContact CB-OD1 3.28Å; Q967-N975 PolarHBondContact O-OD1 3.06Å; Q967-N975 VanDerWaalsContact O-OD1 3.05Å; Q967-N975 PolarHBondContact OE1-ND2 3.42Å; Q967-N975 PolarHBondContact OE1-OD1 2.74Å; Q967-A976 WeakPolarHBondContact O-CA 3.41Å; Q967-A976 VanDerWaalsContact O-CB 3.27Å; Q967-A976 WeakPolarHBondContact O-CB 3.44Å; Q967-A976 PolarHBondContact O-N 2.95Å; Q967-R984 PolarHBondContact O-NH1 3.4Å
968L94.6Very high71Confident99 Ų9979.1 Ų79.152%0.51845%0.445SS..BIsolated β-bridgetrans-79.5127.9-179.2-57.5-178.1000114.3L970 R984L968-L970 PolarHBondContact O-N 3.37Å; L968-R984 VanDerWaalsContact O-CZ 3.23Å; L968-R984 PolarHBondContact O-NH1 2.83Å; L968-R984 PolarHBondContact O-NH2 3.1Å
969C97.2Very high73.9Confident3 Ų378.7 Ų78.72%0.0244%0.44CS..  trans-60.9119.1-177.1172.50000113.3V971 C972 G973 D974 A976 T985 C986C969-V971 PolarHBondContact O-N 3.42Å; C969-C972 PolarHBondContact O-N 3.33Å; C969-C972 VanDerWaalsContact SG-SG 3.66Å; C969-G973 PolarHBondContact O-N 3.04Å; C969-D974 WeakPolarHBondContact CA-O 3.4Å; C969-D974 WeakPolarHBondContact CB-O 3.41Å; C969-D974 PolarHBondContact N-O 3.48Å; C969-A976 HydrophobicContact CB-CB 4.01Å; C969-T985 VanDerWaalsContact SG-CA 3.59Å; C969-C986 HydrophobicContact CB-CB 3.96Å; C969-C986 PolarHBondContact SG-N 3.19Å
970L95.9Very high77Confident91 Ų9174.6 Ų74.648%0.47641%0.414SS..THydrogen-bonded Turntrans-60.8-23.2-177.1-62.8173.7000114.1L968 V983 R984 V1032L968-L970 PolarHBondContact O-N 3.37Å; L970-V983 HydrophobicContact CB-CG1 4.32Å; L970-V983 HydrophobicContact CD1-CG1 3.81Å; L970-R984 HydrophobicContact CD1-CB 4.4Å; L970-R984 PolarHBondContact N-O 3.06Å; L970-V1032 HydrophobicContact CB-CB 4.3Å; L970-V1032 HydrophobicContact CB-CG1 4.15Å
971V97.3Very high79.7Confident0 Ų068.9 Ų68.90%038%0.382CS..THydrogen-bonded Turntrans-77.1-32.6174.9-178.20000112.7C969 T985 C989 V1013 R1025 K1028 V1032 M1034C969-V971 PolarHBondContact O-N 3.42Å; V971-T985 HydrophobicContact CG2-CG2 3.8Å; V971-C989 HydrophobicContact CB-CB 4.29Å; V971-C989 HydrophobicContact CG1-CB 4.38Å; V971-C989 HydrophobicContact CG2-CB 4.47Å; V971-V1013 HydrophobicContact CG1-CG1 4.18Å; V971-V1013 WeakPolarHBondContact O-CG1 3.2Å; V971-V1013 VanDerWaalsContact O-O 3.13Å; V971-R1025 HydrophobicContact CG1-CG 4.35Å; V971-K1028 VanDerWaalsContact O-CD 3.23Å; V971-K1028 WeakPolarHBondContact O-CD 3.37Å; V971-K1028 WeakPolarHBondContact O-CE 3.21Å; V971-K1028 PolarHBondContact O-NZ 3.31Å; V971-V1032 HydrophobicContact CG2-CG2 3.58Å; V971-M1034 HydrophobicContact CG2-SD 4.04Å
972C97.6Very high82.6Confident6 Ų664.9 Ų64.94%0.04136%0.364CS..THydrogen-bonded Turntrans-155.37.9-167.968.20000118.1C969 D974 C986 C989 V1013 D1014 K1015 R1018C969-C972 PolarHBondContact O-N 3.33Å; C969-C972 VanDerWaalsContact SG-SG 3.66Å; C972-D974 PolarHBondContact O-N 3.36Å; C972-D974 VanDerWaalsContact O-N 3.14Å; C972-C986 VanDerWaalsContact SG-SG 3.64Å; C972-C989 VanDerWaalsContact SG-SG 3.61Å; C972-V1013 WeakPolarHBondContact CA-O 3.42Å; C972-V1013 HydrophobicContact CB-CG1 4.31Å; C972-D1014 CarbonylContact O-C 3.37Å; C972-D1014 WeakPolarHBondContact O-CA 3.42Å; C972-K1015 PolarHBondContact O-N 3.34Å; C972-R1018 HydrophobicContact CB-CB 4.24Å; C972-R1018 PolarHBondContact SG-NH1 3.47Å; C972-R1018 VanDerWaalsContact SG-NH1 3.35Å
973G96Very high85.2Confident44 Ų4455.7 Ų55.745%0.45432%0.321SS..SBendtrans71-0.817900000116.2C969C969-G973 PolarHBondContact O-N 3.04Å
974D96.2Very high87.8Confident23 Ų2351.1 Ų51.112%0.12330%0.295CS..SBendtrans-74.1156.1173.3-165.115.7000111.8C969 C972 A976 C986 K1015 R1018C969-D974 WeakPolarHBondContact CA-O 3.4Å; C969-D974 WeakPolarHBondContact CB-O 3.41Å; C969-D974 PolarHBondContact N-O 3.48Å; C972-D974 PolarHBondContact O-N 3.36Å; C972-D974 VanDerWaalsContact O-N 3.14Å; D974-A976 PolarHBondContact O-N 3.23Å; D974-C986 HydrophobicContact CB-CB 4.12Å; D974-K1015 HydrophobicContact CB-CB 4.1Å; D974-K1015 HydrophobicContact CB-CD 4.02Å; D974-K1015 HydrophobicContact CB-CG 3.92Å; D974-K1015 VanDerWaalsContact OD1-CD 3.27Å; D974-K1015 WeakPolarHBondContact OD1-CD 3.42Å; D974-K1015 WeakPolarHBondContact OD1-CE 3.42Å; D974-K1015 IonicContact OD1-NZ 2.74Å; D974-K1015 PolarHBondContact OD1-NZ 3.13Å; D974-R1018 VanDerWaalsContact CB-NH1 3.35Å; D974-R1018 IonicContact OD2-CZ 2.7Å; D974-R1018 IonicContact OD2-NH1 2.61Å; D974-R1018 PolarHBondContact OD2-NH1 2.9Å; D974-R1018 IonicContact OD2-NH2 3.48Å; D974-R1018 PolarHBondContact OD2-NH2 3.5Å
975N94.5Very high89.9Confident86 Ų8648.5 Ų48.546%0.4628%0.281SS..BIsolated β-bridgetrans-64.8139.2-174.2-162.78000112.2Q967 C986Q967-N975 WeakPolarHBondContact CB-OD1 3.28Å; Q967-N975 PolarHBondContact O-OD1 3.06Å; Q967-N975 VanDerWaalsContact O-OD1 3.05Å; Q967-N975 PolarHBondContact OE1-ND2 3.42Å; Q967-N975 PolarHBondContact OE1-OD1 2.74Å; N975-C986 WeakPolarHBondContact O-CB 3.47Å
976A93.8Very high92.1Very high2 Ų244.3 Ų44.32%0.01725%0.253CS..  trans-131.890.9-173.800000111Q967 C969 D974 C978 T985Q967-A976 WeakPolarHBondContact O-CA 3.41Å; Q967-A976 VanDerWaalsContact O-CB 3.27Å; Q967-A976 WeakPolarHBondContact O-CB 3.44Å; Q967-A976 PolarHBondContact O-N 2.95Å; C969-A976 HydrophobicContact CB-CB 4.01Å; D974-A976 PolarHBondContact O-N 3.23Å; A976-C978 PolarHBondContact O-N 2.73Å; A976-C978 VanDerWaalsContact O-N 3.09Å; A976-T985 WeakPolarHBondContact CB-O 3.41Å
977A80.6Confident93.8Very high97 Ų9744.5 Ų44.580%0.80225%0.254SS*.SBendtrans-60.1-18.7-178.200000115.1
978C88.2Confident94.3Very high66 Ų6642.7 Ų42.745%0.44625%0.254SS..SBendtrans-161.2-169.7173.766.70000113.1A976 H980 T985A976-C978 PolarHBondContact O-N 2.73Å; A976-C978 VanDerWaalsContact O-N 3.09Å; C978-H980 PolarHBondContact SG-CE1 3.24Å; C978-T985 PolarHBondContact O-N 2.88Å
979Q93.3Very high94.5Very high103 Ų10338 Ų3848%0.48123%0.229SC..EExtended strand (participates in β ladder)trans-88.2141.7172.8-60.2-174.218.200111.7V983 R984Q979-V983 WeakPolarHBondContact CA-O 3.49Å; Q979-R984 HydrophobicContact CG-CB 4.42Å; Q979-R984 HydrophobicContact CG-CG 4.22Å
980H95Very high94.5Very high23 Ų2340.6 Ų40.611%0.10624%0.24CC..EExtended strand (participates in β ladder)trans-133.6134.5171.8-50.9-50.9000109.8C978 G982 V983 T985 E987 K990C978-H980 PolarHBondContact SG-CE1 3.24Å; H980-G982 PolarHBondContact O-N 3.48Å; H980-V983 PolarHBondContact N-O 3.3Å; H980-V983 PolarHBondContact O-N 2.65Å; H980-T985 PolarHBondContact CD2-O 2.73Å; H980-T985 PolarHBondContact NE2-O 2.71Å; H980-E987 IonicContact CE1-OE1 3.6Å; H980-E987 PolarHBondContact CE1-OE1 3.1Å; H980-E987 IonicContact NE2-OE1 3.78Å; H980-E987 PolarHBondContact NE2-OE1 2.8Å; H980-K990 HydrophobicContact CB-CB 4.06Å; H980-K990 HydrophobicContact CB-CG 3.91Å; H980-K990 VanDerWaalsContact CD2-CB 3.48Å; H980-K990 WeakPolarHBondContact CD2-CB 3.38Å
981Y95.6Very high94.5Very high40 Ų4037.2 Ų37.216%0.15723%0.227CC..THydrogen-bonded Turntrans51.739.5179.4-49.6-71.6000113.1K990 F993 M1034 V1035 V1038 V1039Y981-K990 HydrophobicContact CD2-CG 4.5Å; Y981-K990 HydrophobicContact CE2-CB 4.4Å; Y981-K990 HydrophobicContact CE2-CG 3.76Å; Y981-F993 HydrophobicContact CD1-CD1 4.44Å; Y981-F993 HydrophobicContact CD1-CE1 4.49Å; Y981-F993 AromaticContact CD2-CD1 3.76Å; Y981-F993 HydrophobicContact CD2-CD1 3.76Å; Y981-F993 HydrophobicContact CD2-CE1 4.44Å; Y981-F993 HydrophobicContact CE2-CD1 4.31Å; Y981-F993 AromaticContact CG-CD1 3.83Å; Y981-F993 HydrophobicContact CG-CD1 3.83Å; Y981-F993 HydrophobicContact CG-CE1 4.06Å; Y981-M1034 HydrophobicContact CD2-CE 3.77Å; Y981-M1034 HydrophobicContact CG-CE 4.41Å; Y981-M1034 WeakPolarHBondContact O-CA 3.44Å; Y981-V1035 WeakPolarHBondContact O-CG2 3.49Å; Y981-V1035 PolarHBondContact O-N 2.97Å; Y981-V1038 HydrophobicContact CD1-CB 4.14Å; Y981-V1038 HydrophobicContact CD1-CG1 3.76Å; Y981-V1038 HydrophobicContact CE1-CG1 4.28Å; Y981-V1039 HydrophobicContact CD1-CG2 3.69Å; Y981-V1039 HydrophobicContact CE1-CB 4.46Å; Y981-V1039 HydrophobicContact CE1-CG2 3.63Å; Y981-V1039 HydrophobicContact CG-CG2 4.39Å
982G91.1Very high94.5Very high14 Ų1437.8 Ų37.814%0.14423%0.23CC..THydrogen-bonded Turntrans90-15.7-178.300000115.8H980 R1056H980-G982 PolarHBondContact O-N 3.48Å; G982-R1056 PolarHBondContact O-NH2 3.48Å
983V93.1Very high94.5Very high7 Ų737.5 Ų37.54%0.04223%0.228CC..EExtended strand (participates in β ladder)trans-127.9141.2-168.1-167.50000113L970 Q979 H980 T985 V1032 G1033 M1034L970-V983 HydrophobicContact CB-CG1 4.32Å; L970-V983 HydrophobicContact CD1-CG1 3.81Å; Q979-V983 WeakPolarHBondContact CA-O 3.49Å; H980-V983 PolarHBondContact N-O 3.3Å; H980-V983 PolarHBondContact O-N 2.65Å; V983-T985 HydrophobicContact CB-CG2 4.1Å; V983-T985 HydrophobicContact CG1-CG2 4Å; V983-T985 PolarHBondContact O-N 3.4Å; V983-T985 PolarHBondContact O-OG1 3.39Å; V983-T985 VanDerWaalsContact O-OG1 3.08Å; V983-V1032 HydrophobicContact CG1-CB 4.15Å; V983-V1032 HydrophobicContact CG1-CG2 3.79Å; V983-V1032 WeakPolarHBondContact CG1-O 3.4Å; V983-V1032 HydrophobicContact CG2-CG2 4.47Å; V983-V1032 WeakPolarHBondContact CG2-O 3.3Å; V983-G1033 VanDerWaalsContact CG2-O 3.27Å; V983-G1033 WeakPolarHBondContact CG2-O 3.17Å; V983-M1034 HydrophobicContact CB-CG 3.94Å; V983-M1034 HydrophobicContact CG2-CB 4.36Å; V983-M1034 HydrophobicContact CG2-CG 3.75Å
984R94.6Very high94.6Very high42 Ų4238.8 Ų38.816%0.15822%0.221CC..EExtended strand (participates in β ladder)trans-64.7103175-134.3171.953.844.33.3110.9C965 H966 Q967 L968 L970 Q979C965-R984 PolarHBondContact O-NH2 3.49Å; H966-R984 WeakPolarHBondContact O-CD 3.24Å; H966-R984 PolarHBondContact O-NE 3.05Å; H966-R984 PolarHBondContact O-NH1 2.58Å; Q967-R984 PolarHBondContact O-NH1 3.4Å; L968-R984 VanDerWaalsContact O-CZ 3.23Å; L968-R984 PolarHBondContact O-NH1 2.83Å; L968-R984 PolarHBondContact O-NH2 3.1Å; L970-R984 HydrophobicContact CD1-CB 4.4Å; L970-R984 PolarHBondContact N-O 3.06Å; Q979-R984 HydrophobicContact CG-CB 4.42Å; Q979-R984 HydrophobicContact CG-CG 4.22Å
985T96.1Very high94.6Very high0 Ų044.7 Ų44.70%024%0.242CC..  trans-146.9151-168.752.20000112.8C969 V971 A976 C978 H980 V983 M1034C969-T985 VanDerWaalsContact SG-CA 3.59Å; V971-T985 HydrophobicContact CG2-CG2 3.8Å; A976-T985 WeakPolarHBondContact CB-O 3.41Å; C978-T985 PolarHBondContact O-N 2.88Å; H980-T985 PolarHBondContact CD2-O 2.73Å; H980-T985 PolarHBondContact NE2-O 2.71Å; V983-T985 HydrophobicContact CB-CG2 4.1Å; V983-T985 HydrophobicContact CG1-CG2 4Å; V983-T985 PolarHBondContact O-N 3.4Å; V983-T985 PolarHBondContact O-OG1 3.39Å; V983-T985 VanDerWaalsContact O-OG1 3.08Å; T985-M1034 HydrophobicContact CG2-CE 4.27Å; T985-M1034 HydrophobicContact CG2-SD 3.95Å
986C97.3Very high94.7Very high3 Ų340.7 Ų40.72%0.0222%0.22CC..  trans-75155.117663.90000111.8C969 C972 D974 N975 G988 C989 K990 R1018C969-C986 HydrophobicContact CB-CB 3.96Å; C969-C986 PolarHBondContact SG-N 3.19Å; C972-C986 VanDerWaalsContact SG-SG 3.64Å; D974-C986 HydrophobicContact CB-CB 4.12Å; N975-C986 WeakPolarHBondContact O-CB 3.47Å; C986-G988 PolarHBondContact O-N 3.14Å; C986-G988 VanDerWaalsContact O-N 3.08Å; C986-C989 PolarHBondContact O-N 3.32Å; C986-K990 PolarHBondContact O-N 3.27Å; C986-R1018 PolarHBondContact SG-NH1 3.24Å
987E96.3Very high94.7Very high116 Ų11642.3 Ų42.354%0.54223%0.228SC..Hα-helixtrans-48.2-38.3174.8-72.6-65142.700113.4H980 C989 K990 G991H980-E987 IonicContact CE1-OE1 3.6Å; H980-E987 PolarHBondContact CE1-OE1 3.1Å; H980-E987 IonicContact NE2-OE1 3.78Å; H980-E987 PolarHBondContact NE2-OE1 2.8Å; E987-C989 VanDerWaalsContact C-N 3.33Å; E987-C989 PolarHBondContact O-N 3.05Å; E987-K990 PolarHBondContact O-N 3.2Å; E987-K990 IonicContact OE1-NZ 3.37Å; E987-K990 PolarHBondContact OE1-NZ 3.33Å; E987-K990 WeakPolarHBondContact OE2-CD 3.45Å; E987-K990 WeakPolarHBondContact OE2-CE 3.12Å; E987-K990 IonicContact OE2-NZ 3.73Å; E987-K990 PolarHBondContact OE2-NZ 2.9Å; E987-G991 PolarHBondContact O-N 3.5Å
988G96.5Very high95.3Very high31 Ų3139.9 Ų39.932%0.3220%0.2SC..Hα-helixtrans-63.1-33.4177.800000114.2C986 F992 R1025C986-G988 PolarHBondContact O-N 3.14Å; C986-G988 VanDerWaalsContact O-N 3.08Å; G988-F992 WeakPolarHBondContact O-CB 3.46Å; G988-F992 PolarHBondContact O-N 3.29Å; G988-R1025 PolarHBondContact O-NH2 3.13Å
989C98.2Very high95.6Very high0 Ų044.9 Ų44.90%021%0.214CC..Hα-helixtrans-87-37.3177.3-720000112.1V971 C972 C986 E987 F992 F993 R1025V971-C989 HydrophobicContact CB-CB 4.29Å; V971-C989 HydrophobicContact CG1-CB 4.38Å; V971-C989 HydrophobicContact CG2-CB 4.47Å; C972-C989 VanDerWaalsContact SG-SG 3.61Å; C986-C989 PolarHBondContact O-N 3.32Å; E987-C989 VanDerWaalsContact C-N 3.33Å; E987-C989 PolarHBondContact O-N 3.05Å; C989-F992 PolarHBondContact O-N 3.31Å; C989-F993 WeakPolarHBondContact O-CB 3.44Å; C989-F993 PolarHBondContact O-N 3.22Å; C989-R1025 PolarHBondContact SG-NH2 3.34Å; C989-R1025 VanDerWaalsContact SG-NH2 3.36Å
990K96.5Very high95.5Very high58 Ų5845.9 Ų45.925%0.25222%0.223SC..Hα-helixtrans-51-54.1166.6173.1-153.4-164.5178.40112.1H980 Y981 C986 E987 F992 F993 K994H980-K990 HydrophobicContact CB-CB 4.06Å; H980-K990 HydrophobicContact CB-CG 3.91Å; H980-K990 VanDerWaalsContact CD2-CB 3.48Å; H980-K990 WeakPolarHBondContact CD2-CB 3.38Å; Y981-K990 HydrophobicContact CD2-CG 4.5Å; Y981-K990 HydrophobicContact CE2-CB 4.4Å; Y981-K990 HydrophobicContact CE2-CG 3.76Å; C986-K990 PolarHBondContact O-N 3.27Å; E987-K990 PolarHBondContact O-N 3.2Å; E987-K990 IonicContact OE1-NZ 3.37Å; E987-K990 PolarHBondContact OE1-NZ 3.33Å; E987-K990 WeakPolarHBondContact OE2-CD 3.45Å; E987-K990 WeakPolarHBondContact OE2-CE 3.12Å; E987-K990 IonicContact OE2-NZ 3.73Å; E987-K990 PolarHBondContact OE2-NZ 2.9Å; K990-F992 PolarHBondContact O-N 3.09Å; K990-F993 PolarHBondContact O-N 2.87Å; K990-K994 PolarHBondContact O-N 3.32Å
991G96.7Very high95.5Very high20 Ų2045.9 Ų45.921%0.20623%0.227CC..Hα-helixtrans-66-35.9-179.200000113.2E987 R995E987-G991 PolarHBondContact O-N 3.5Å; G991-R995 WeakPolarHBondContact O-CG 3.4Å; G991-R995 PolarHBondContact O-N 3.11Å; G991-R995 PolarHBondContact O-NE 3Å; G991-R995 PolarHBondContact O-NH1 2.87Å
992F98.1Very high95.4Very high12 Ų1251.3 Ų51.35%0.05325%0.254CS..Hα-helixtrans-64.4-49.6172.6171.7-97.1000111.8G988 C989 K990 R995 T996 Y1003 Q1022 R1025 F1026G988-F992 WeakPolarHBondContact O-CB 3.46Å; G988-F992 PolarHBondContact O-N 3.29Å; C989-F992 PolarHBondContact O-N 3.31Å; K990-F992 PolarHBondContact O-N 3.09Å; F992-R995 PolarHBondContact O-N 3.44Å; F992-T996 PolarHBondContact O-N 3.18Å; F992-T996 PolarHBondContact O-OG1 2.94Å; F992-Y1003 AromaticContact CE2-CE2 3.91Å; F992-Y1003 HydrophobicContact CE2-CE2 3.91Å; F992-Y1003 HydrophobicContact CZ-CD2 4.31Å; F992-Y1003 AromaticContact CZ-CE2 3.61Å; F992-Y1003 HydrophobicContact CZ-CE2 3.61Å; F992-Q1022 HydrophobicContact CE2-CB 4.15Å; F992-Q1022 HydrophobicContact CE2-CG 4.21Å; F992-Q1022 HydrophobicContact CZ-CB 4.3Å; F992-Q1022 WeakPolarHBondContact CZ-O 3.39Å; F992-R1025 VanDerWaalsContact CD1-CD 3.48Å; F992-R1025 HydrophobicContact CD1-CG 4.05Å; F992-R1025 HydrophobicContact CE1-CB 4.11Å; F992-R1025 HydrophobicContact CE1-CG 3.85Å; F992-R1025 HydrophobicContact CZ-CB 4.23Å; F992-R1025 HydrophobicContact CZ-CG 4.34Å; F992-F1026 HydrophobicContact CE1-CB 3.81Å; F992-F1026 HydrophobicContact CE1-CD2 4.31Å; F992-F1026 HydrophobicContact CZ-CB 3.97Å
993F97.7Very high95.7Very high0 Ų053.1 Ų53.10%026%0.257CS..Hα-helixtrans-61.4-47.2-179.9-172.8-100.9000111.7Y981 C989 K990 R995 T996 I997 F1026 C1029 L1030 M1034 V1035 K1036 V1039Y981-F993 HydrophobicContact CD1-CD1 4.44Å; Y981-F993 HydrophobicContact CD1-CE1 4.49Å; Y981-F993 AromaticContact CD2-CD1 3.76Å; Y981-F993 HydrophobicContact CD2-CD1 3.76Å; Y981-F993 HydrophobicContact CD2-CE1 4.44Å; Y981-F993 HydrophobicContact CE2-CD1 4.31Å; Y981-F993 AromaticContact CG-CD1 3.83Å; Y981-F993 HydrophobicContact CG-CD1 3.83Å; Y981-F993 HydrophobicContact CG-CE1 4.06Å; C989-F993 WeakPolarHBondContact O-CB 3.44Å; C989-F993 PolarHBondContact O-N 3.22Å; K990-F993 PolarHBondContact O-N 2.87Å; F993-R995 PolarHBondContact O-N 3.2Å; F993-T996 PolarHBondContact O-N 3.14Å; F993-I997 HydrophobicContact CD1-CG1 4.41Å; F993-I997 HydrophobicContact CE1-CG1 4.03Å; F993-I997 HydrophobicContact CE2-CD1 4.33Å; F993-I997 HydrophobicContact CE2-CG1 4.24Å; F993-I997 HydrophobicContact CZ-CD1 4.24Å; F993-I997 HydrophobicContact CZ-CG1 3.93Å; F993-I997 PolarHBondContact O-N 3.43Å; F993-I997 VanDerWaalsContact O-N 3.07Å; F993-F1026 HydrophobicContact CD2-CD2 4.14Å; F993-F1026 AromaticContact CD2-CE2 3.84Å; F993-F1026 HydrophobicContact CD2-CE2 3.84Å; F993-F1026 HydrophobicContact CE2-CD2 4.4Å; F993-F1026 AromaticContact CE2-CE2 3.75Å; F993-F1026 HydrophobicContact CE2-CE2 3.75Å; F993-C1029 HydrophobicContact CD2-CB 3.74Å; F993-C1029 HydrophobicContact CE2-CB 4.24Å; F993-L1030 HydrophobicContact CE2-CD2 4.04Å; F993-M1034 HydrophobicContact CB-CE 3.74Å; F993-M1034 HydrophobicContact CB-SD 4.26Å; F993-M1034 HydrophobicContact CD1-CB 4.31Å; F993-M1034 HydrophobicContact CD1-CE 3.97Å; F993-M1034 HydrophobicContact CD2-CB 3.92Å; F993-M1034 HydrophobicContact CD2-CE 4.4Å; F993-M1034 HydrophobicContact CD2-SD 4.21Å; F993-M1034 HydrophobicContact CE1-CB 4.03Å; F993-M1034 HydrophobicContact CE2-CB 3.62Å; F993-M1034 HydrophobicContact CG-CB 4.26Å; F993-M1034 HydrophobicContact CG-CE 3.78Å; F993-M1034 HydrophobicContact CG-SD 4.17Å; F993-M1034 HydrophobicContact CZ-CB 3.69Å; F993-M1034 WeakPolarHBondContact CZ-O 3.1Å; F993-V1035 WeakPolarHBondContact CE1-O 3.33Å; F993-K1036 HydrophobicContact CZ-CB 4.26Å; F993-V1039 HydrophobicContact CD1-CG2 3.8Å; F993-V1039 HydrophobicContact CE1-CG2 3.58Å
994K96.3Very high95.8Very high71 Ų7158.6 Ų58.631%0.30929%0.29SS..Hα-helixtrans-53.1-51.9174.6-169.2-171.9-170.9-93.20111.3K990 T996 Q998 V1039 D1042K990-K994 PolarHBondContact O-N 3.32Å; K994-T996 VanDerWaalsContact C-N 3.33Å; K994-T996 PolarHBondContact O-N 2.7Å; K994-Q998 HydrophobicContact CG-CG 4.29Å; K994-Q998 WeakPolarHBondContact O-CB 3.44Å; K994-Q998 VanDerWaalsContact O-CG 3.27Å; K994-Q998 WeakPolarHBondContact O-CG 3.5Å; K994-Q998 PolarHBondContact O-N 3.44Å; K994-V1039 HydrophobicContact CG-CG1 3.98Å; K994-D1042 IonicContact NZ-OD1 2.63Å; K994-D1042 IonicContact NZ-OD2 2.79Å; K994-D1042 PolarHBondContact NZ-OD2 2.82Å
995R96.3Very high96Very high148 Ų14857.5 Ų57.556%0.55829%0.288SS*.Hα-helixtrans-64-36.5-178.8-72.9-172.9-60-97.84.6112.8G991 F992 F993 K999G991-R995 WeakPolarHBondContact O-CG 3.4Å; G991-R995 PolarHBondContact O-N 3.11Å; G991-R995 PolarHBondContact O-NE 3Å; G991-R995 PolarHBondContact O-NH1 2.87Å; F992-R995 PolarHBondContact O-N 3.44Å; F993-R995 PolarHBondContact O-N 3.2Å; R995-K999 WeakPolarHBondContact O-CB 3.49Å; R995-K999 WeakPolarHBondContact O-CG 3.34Å; R995-K999 PolarHBondContact O-N 3.35Å; R995-K999 VanDerWaalsContact O-N 3.14Å
996T97Very high95.9Very high2 Ų264.8 Ų64.81%0.01233%0.327CS..Hα-helixtrans-63.9-53.7178.9-51.60000110.5F992 F993 K994 N1000 A1001 Y1003 F1026F992-T996 PolarHBondContact O-N 3.18Å; F992-T996 PolarHBondContact O-OG1 2.94Å; F993-T996 PolarHBondContact O-N 3.14Å; K994-T996 VanDerWaalsContact C-N 3.33Å; K994-T996 PolarHBondContact O-N 2.7Å; T996-N1000 PolarHBondContact O-N 3.42Å; T996-N1000 VanDerWaalsContact O-N 3.12Å; T996-A1001 HydrophobicContact CG2-CB 4.33Å; T996-A1001 PolarHBondContact O-N 3.4Å; T996-Y1003 HydrophobicContact CG2-CD2 4.25Å; T996-Y1003 HydrophobicContact CG2-CE2 3.51Å; T996-Y1003 PolarHBondContact OG1-OH 3.36Å; T996-F1026 HydrophobicContact CG2-CD1 4.02Å; T996-F1026 HydrophobicContact CG2-CD2 3.58Å; T996-F1026 HydrophobicContact CG2-CE1 4Å; T996-F1026 HydrophobicContact CG2-CE2 3.56Å; T996-F1026 HydrophobicContact CG2-CG 3.82Å; T996-F1026 HydrophobicContact CG2-CZ 3.78Å
997I95.1Very high95.7Very high35 Ų3569.2 Ų69.218%0.17935%0.347CS..Hα-helixtrans-66.4-43.2-179.1-56.2-56.5000111.7F993 K999 N1000 F1026 K1036 V1039F993-I997 HydrophobicContact CD1-CG1 4.41Å; F993-I997 HydrophobicContact CE1-CG1 4.03Å; F993-I997 HydrophobicContact CE2-CD1 4.33Å; F993-I997 HydrophobicContact CE2-CG1 4.24Å; F993-I997 HydrophobicContact CZ-CD1 4.24Å; F993-I997 HydrophobicContact CZ-CG1 3.93Å; F993-I997 PolarHBondContact O-N 3.43Å; F993-I997 VanDerWaalsContact O-N 3.07Å; I997-K999 VanDerWaalsContact C-N 3.33Å; I997-K999 PolarHBondContact O-N 2.99Å; I997-N1000 PolarHBondContact O-N 3.08Å; I997-N1000 VanDerWaalsContact O-N 3.09Å; I997-F1026 HydrophobicContact CD1-CE2 3.72Å; I997-F1026 HydrophobicContact CD1-CZ 3.55Å; I997-F1026 HydrophobicContact CG1-CE2 4.46Å; I997-K1036 HydrophobicContact CD1-CB 3.64Å; I997-K1036 HydrophobicContact CG1-CB 4.04Å; I997-K1036 HydrophobicContact CG2-CB 4.33Å; I997-V1039 HydrophobicContact CB-CB 3.96Å; I997-V1039 HydrophobicContact CB-CG1 3.98Å; I997-V1039 HydrophobicContact CB-CG2 4.1Å; I997-V1039 HydrophobicContact CG1-CB 4.46Å; I997-V1039 HydrophobicContact CG1-CG2 4.09Å; I997-V1039 HydrophobicContact CG2-CB 3.81Å; I997-V1039 HydrophobicContact CG2-CG1 4.13Å; I997-V1039 HydrophobicContact CG2-CG2 4.34Å
998Q93.3Very high95.6Very high47 Ų4766.9 Ų66.922%0.2235%0.347CS..Hα-helixtrans-66.9-30.9-178-71.8-172.8-42.300114K994 V1039 R1040 D1042K994-Q998 HydrophobicContact CG-CG 4.29Å; K994-Q998 WeakPolarHBondContact O-CB 3.44Å; K994-Q998 VanDerWaalsContact O-CG 3.27Å; K994-Q998 WeakPolarHBondContact O-CG 3.5Å; K994-Q998 PolarHBondContact O-N 3.44Å; Q998-V1039 HydrophobicContact CG-CG1 3.56Å; Q998-R1040 PolarHBondContact NE2-O 3.42Å; Q998-D1042 VanDerWaalsContact CD-OD2 3.29Å; Q998-D1042 PolarHBondContact NE2-OD1 2.88Å; Q998-D1042 VanDerWaalsContact NE2-OD1 3.14Å; Q998-D1042 PolarHBondContact NE2-OD2 2.83Å; Q998-D1042 PolarHBondContact OE1-OD2 2.88Å
999K93.7Very high95.5Very high170 Ų17072.2 Ų72.274%0.73936%0.362SS*.THydrogen-bonded Turntrans-89.80.2173.9-66.1-168.4172.5-161.10113.3R995 I997 A1001R995-K999 WeakPolarHBondContact O-CB 3.49Å; R995-K999 WeakPolarHBondContact O-CG 3.34Å; R995-K999 PolarHBondContact O-N 3.35Å; R995-K999 VanDerWaalsContact O-N 3.14Å; I997-K999 VanDerWaalsContact C-N 3.33Å; I997-K999 PolarHBondContact O-N 2.99Å; K999-A1001 HydrophobicContact CB-CB 4.16Å; K999-A1001 PolarHBondContact O-N 3.16Å; K999-A1001 VanDerWaalsContact O-N 3.15Å
1000N91.5Very high95.4Very high124 Ų12476 Ų7666%0.66338%0.382SS*.THydrogen-bonded Turntrans46.436.5-166.9-164.834.2000112.9T996 I997 Q1002T996-N1000 PolarHBondContact O-N 3.42Å; T996-N1000 VanDerWaalsContact O-N 3.12Å; I997-N1000 PolarHBondContact O-N 3.08Å; I997-N1000 VanDerWaalsContact O-N 3.09Å; N1000-Q1002 PolarHBondContact O-N 2.84Å; N1000-Q1002 PolarHBondContact O-NE2 3.38Å
1001A94.5Very high95.4Very high23 Ų2374.5 Ų74.519%0.1938%0.379CS..  trans-71.4114.2-16400000111.3T996 K999 Y1003T996-A1001 HydrophobicContact CG2-CB 4.33Å; T996-A1001 PolarHBondContact O-N 3.4Å; K999-A1001 HydrophobicContact CB-CB 4.16Å; K999-A1001 PolarHBondContact O-N 3.16Å; K999-A1001 VanDerWaalsContact O-N 3.15Å; A1001-Y1003 HydrophobicContact CB-CE1 4.09Å
1002Q94.3Very high95.4Very high155 Ų15577.5 Ų77.572%0.72439%0.393SS*.  trans-80.4138.2171.6-56-53.1-41.100109.7N1000N1000-Q1002 PolarHBondContact O-N 2.84Å; N1000-Q1002 PolarHBondContact O-NE2 3.38Å
1003Y97.1Very high95.4Very high51 Ų5177.3 Ų77.320%0.239%0.393CS..  trans-123.9149.6178-61.2-48.1000110F992 T996 A1001 Q1022 Y1023 F1026F992-Y1003 AromaticContact CE2-CE2 3.91Å; F992-Y1003 HydrophobicContact CE2-CE2 3.91Å; F992-Y1003 HydrophobicContact CZ-CD2 4.31Å; F992-Y1003 AromaticContact CZ-CE2 3.61Å; F992-Y1003 HydrophobicContact CZ-CE2 3.61Å; T996-Y1003 HydrophobicContact CG2-CD2 4.25Å; T996-Y1003 HydrophobicContact CG2-CE2 3.51Å; T996-Y1003 PolarHBondContact OG1-OH 3.36Å; A1001-Y1003 HydrophobicContact CB-CE1 4.09Å; Y1003-Q1022 HydrophobicContact CD1-CB 3.82Å; Y1003-Q1022 HydrophobicContact CD2-CB 3.85Å; Y1003-Q1022 HydrophobicContact CE1-CB 3.98Å; Y1003-Q1022 HydrophobicContact CE2-CB 3.98Å; Y1003-Q1022 HydrophobicContact CG-CB 3.76Å; Y1003-Y1023 WeakPolarHBondContact O-CD2 3.46Å; Y1003-F1026 HydrophobicContact CD2-CB 4.11Å; Y1003-F1026 HydrophobicContact CE2-CB 4.39Å
1004V95.5Very high95.3Very high123 Ų12380 Ų8075%0.74541%0.407SS*.  trans-116149.6172-177.30000108.5
1005C97.8Very high95.3Very high18 Ų1882.5 Ų82.512%0.12242%0.418CS..  trans-92.6133.8170.9-166.10000109.6Q1007 K1009 C1011 Y1023C1005-Q1007 PolarHBondContact O-N 3.21Å; C1005-Q1007 PolarHBondContact SG-N 3.01Å; C1005-Q1007 PolarHBondContact SG-O 3.43Å; C1005-K1009 HydrophobicContact CB-CG 3.94Å; C1005-C1011 VanDerWaalsContact SG-SG 3.66Å; C1005-Y1023 HydrophobicContact CB-CD1 3.73Å; C1005-Y1023 HydrophobicContact CB-CE1 4.4Å; C1005-Y1023 HydrophobicContact CB-CG 4.16Å
1006L94.6Very high95.2Very high154 Ų15486.2 Ų86.281%0.80643%0.432SS*.SBendtrans-9016.6174.2-55.3178.3000112
1007Q93Very high95.1Very high95 Ų9591.3 Ų91.344%0.44445%0.451SS..SBendtrans-147.6-171.8-179.9-64.589.716.700108.7C1005 K1009 C1011C1005-Q1007 PolarHBondContact O-N 3.21Å; C1005-Q1007 PolarHBondContact SG-N 3.01Å; C1005-Q1007 PolarHBondContact SG-O 3.43Å; Q1007-K1009 PolarHBondContact O-N 3.03Å; Q1007-C1011 PolarHBondContact OE1-SG 3.46Å
1008A93.5Very high95.1Very high67 Ų6791.7 Ų91.755%0.55445%0.45SS*.SBendtrans-71.238.4-177.300000115.6P890 N1010P890-A1008 HydrophobicContact CG-CB 4.26Å; A1008-N1010 WeakPolarHBondContact O-CB 3.35Å; A1008-N1010 PolarHBondContact O-N 2.72Å; A1008-N1010 PolarHBondContact O-OD1 3.42Å
1009K94.9Very high95.2Very high144 Ų14495.2 Ų95.263%0.62647%0.47SS*.SBendtrans57.57.9176.4-67.4179.4177.5173.70116.2C1005 Q1007 Y1023 C1024C1005-K1009 HydrophobicContact CB-CG 3.94Å; Q1007-K1009 PolarHBondContact O-N 3.03Å; K1009-Y1023 HydrophobicContact CB-CE1 3.84Å; K1009-Y1023 HydrophobicContact CD-CE1 4Å; K1009-Y1023 HydrophobicContact CG-CD1 4.32Å; K1009-Y1023 HydrophobicContact CG-CE1 3.63Å; K1009-C1024 PolarHBondContact O-SG 3.28Å
1010N95.7Very high95.3Very high78 Ų7897.2 Ų97.242%0.41747%0.473SS..  trans-113.711.9-168.870.5-36.5000114.6P890 A1008 V1012P890-N1010 WeakPolarHBondContact CD-ND2 3.41Å; P890-N1010 HydrophobicContact CG-CB 4.37Å; P890-N1010 WeakPolarHBondContact CG-ND2 3.33Å; A1008-N1010 WeakPolarHBondContact O-CB 3.35Å; A1008-N1010 PolarHBondContact O-N 2.72Å; A1008-N1010 PolarHBondContact O-OD1 3.42Å; N1010-V1012 PolarHBondContact O-N 3.46Å
1011C97.4Very high95.6Very high27 Ų2792 Ų9218%0.18245%0.446CS..  trans-58.6128.7-169.8-580000112.9C1005 Q1007 V1013 C1021 C1024C1005-C1011 VanDerWaalsContact SG-SG 3.66Å; Q1007-C1011 PolarHBondContact OE1-SG 3.46Å; C1011-V1013 VanDerWaalsContact O-CG2 3.3Å; C1011-V1013 WeakPolarHBondContact O-CG2 3.26Å; C1011-V1013 PolarHBondContact O-N 3.05Å; C1011-C1021 HydrophobicContact CB-CB 3.72Å; C1011-C1024 HydrophobicContact CB-CB 3.9Å; C1011-C1024 PolarHBondContact N-SG 3.48Å; C1011-C1024 WeakPolarHBondContact O-CB 3.37Å
1012V96Very high95.7Very high83 Ų8395.6 Ų95.650%0.50346%0.459SS..  trans-65.1131-174.2-158.30000112N1010 D1014N1010-V1012 PolarHBondContact O-N 3.46Å; V1012-D1014 WeakPolarHBondContact CG1-OD1 3.32Å
1013V97.5Very high95.9Very high9 Ų990.4 Ų90.46%0.05543%0.433CS..  trans-115.393.1-172.3-1730000110.5V971 C972 C1011 R1018 C1024 R1025 K1028V971-V1013 HydrophobicContact CG1-CG1 4.18Å; V971-V1013 WeakPolarHBondContact O-CG1 3.2Å; V971-V1013 VanDerWaalsContact O-O 3.13Å; C972-V1013 WeakPolarHBondContact CA-O 3.42Å; C972-V1013 HydrophobicContact CB-CG1 4.31Å; C1011-V1013 VanDerWaalsContact O-CG2 3.3Å; C1011-V1013 WeakPolarHBondContact O-CG2 3.26Å; C1011-V1013 PolarHBondContact O-N 3.05Å; V1013-R1018 HydrophobicContact CG1-CB 3.97Å; V1013-C1024 HydrophobicContact CG2-CB 4.26Å; V1013-R1025 HydrophobicContact CG1-CB 4.24Å; V1013-R1025 HydrophobicContact CG1-CG 4Å; V1013-K1028 HydrophobicContact CB-CD 3.81Å; V1013-K1028 HydrophobicContact CG1-CD 4.27Å; V1013-K1028 HydrophobicContact CG2-CD 4.24Å; V1013-K1028 PolarHBondContact O-NZ 3.06Å; V1013-K1028 VanDerWaalsContact O-NZ 3.1Å
1014D96.4Very high96Very high55 Ų5588.3 Ų88.329%0.29443%0.426SS..  trans-124.5166.7179.4-28.6-62.4000110.9C972 V1012 R1016 R1017 R1018C972-D1014 CarbonylContact O-C 3.37Å; C972-D1014 WeakPolarHBondContact O-CA 3.42Å; V1012-D1014 WeakPolarHBondContact CG1-OD1 3.32Å; D1014-R1016 PolarHBondContact O-N 2.91Å; D1014-R1017 PolarHBondContact O-N 3.21Å; D1014-R1017 IonicContact OD2-CZ 2.78Å; D1014-R1017 IonicContact OD2-NE 3.66Å; D1014-R1017 PolarHBondContact OD2-NE 2.82Å; D1014-R1017 IonicContact OD2-NH2 3.31Å; D1014-R1017 PolarHBondContact OD2-NH2 3.13Å; D1014-R1018 VanDerWaalsContact O-CB 3.27Å; D1014-R1018 WeakPolarHBondContact O-CB 3.24Å; D1014-R1018 PolarHBondContact O-N 2.9Å
1015K95.4Very high96.1Very high124 Ų12483 Ų8354%0.53939%0.392SS..THydrogen-bonded Turntrans-42.7-47179.3-179.9171.5179.3148.70113.4C972 D974 R1018C972-K1015 PolarHBondContact O-N 3.34Å; D974-K1015 HydrophobicContact CB-CB 4.1Å; D974-K1015 HydrophobicContact CB-CD 4.02Å; D974-K1015 HydrophobicContact CB-CG 3.92Å; D974-K1015 VanDerWaalsContact OD1-CD 3.27Å; D974-K1015 WeakPolarHBondContact OD1-CD 3.42Å; D974-K1015 WeakPolarHBondContact OD1-CE 3.42Å; D974-K1015 IonicContact OD1-NZ 2.74Å; D974-K1015 PolarHBondContact OD1-NZ 3.13Å; K1015-R1018 PolarHBondContact O-NE 3Å
1016R95.1Very high96.1Very high227 Ų22783.5 Ų83.586%0.85739%0.393SS*.THydrogen-bonded Turntrans-76.2-34.5178.7-170.517174103.3-9114.2D1014D1014-R1016 PolarHBondContact O-N 2.91Å
1017R94.3Very high96.3Very high109 Ų10979.9 Ų79.941%0.41137%0.372SS..THydrogen-bonded Turntrans-104.9-11.9-168.9-66.2-169-68.5-169-3.9115.3D1014 N1019 R1020D1014-R1017 PolarHBondContact O-N 3.21Å; D1014-R1017 IonicContact OD2-CZ 2.78Å; D1014-R1017 IonicContact OD2-NE 3.66Å; D1014-R1017 PolarHBondContact OD2-NE 2.82Å; D1014-R1017 IonicContact OD2-NH2 3.31Å; D1014-R1017 PolarHBondContact OD2-NH2 3.13Å; R1017-N1019 PolarHBondContact O-N 3.04Å; R1017-R1020 WeakPolarHBondContact O-CB 3.48Å; R1017-R1020 PolarHBondContact O-N 2.84Å
1018R95.1Very high96.5Very high42 Ų4278.8 Ų78.816%0.15837%0.366CS..THydrogen-bonded Turntrans-53.2-17.4-174.963.8-172.7178.2-173.2-8.1116.6C972 D974 C986 V1013 D1014 K1015 R1025C972-R1018 HydrophobicContact CB-CB 4.24Å; C972-R1018 PolarHBondContact SG-NH1 3.47Å; C972-R1018 VanDerWaalsContact SG-NH1 3.35Å; D974-R1018 VanDerWaalsContact CB-NH1 3.35Å; D974-R1018 IonicContact OD2-CZ 2.7Å; D974-R1018 IonicContact OD2-NH1 2.61Å; D974-R1018 PolarHBondContact OD2-NH1 2.9Å; D974-R1018 IonicContact OD2-NH2 3.48Å; D974-R1018 PolarHBondContact OD2-NH2 3.5Å; C986-R1018 PolarHBondContact SG-NH1 3.24Å; V1013-R1018 HydrophobicContact CG1-CB 3.97Å; D1014-R1018 VanDerWaalsContact O-CB 3.27Å; D1014-R1018 WeakPolarHBondContact O-CB 3.24Å; D1014-R1018 PolarHBondContact O-N 2.9Å; K1015-R1018 PolarHBondContact O-NE 3Å; R1018-R1025 VanDerWaalsContact O-CD 3.26Å; R1018-R1025 WeakPolarHBondContact O-CD 3.49Å; R1018-R1025 PolarHBondContact O-NH1 3.49Å; R1018-R1025 VanDerWaalsContact O-NH1 3.12Å
1019N95.4Very high96.7Very high121 Ų12175.6 Ų75.665%0.64734%0.339SS*.THydrogen-bonded Turntrans-89.5-16.3176.6-67.6-7.1000113.4R1017 C1021 R1025R1017-N1019 PolarHBondContact O-N 3.04Å; N1019-C1021 PolarHBondContact O-N 2.88Å; N1019-R1025 PolarHBondContact OD1-NH1 3.39Å
1020R95.6Very high96.8Very high213 Ų21371.7 Ų71.780%0.80433%0.325SS*.SBendtrans-74.3-23.7-170.1-169.4170.8177.7115.8-3.6114.6R1017R1017-R1020 WeakPolarHBondContact O-CB 3.48Å; R1017-R1020 PolarHBondContact O-N 2.84Å
1021C97.9Very high96.9Very high13 Ų1375.7 Ų75.79%0.08834%0.339CS..  trans-140.1108.6171.1-171.50000110.8C1011 N1019 C1024 R1025C1011-C1021 HydrophobicContact CB-CB 3.72Å; N1019-C1021 PolarHBondContact O-N 2.88Å; C1021-C1024 HydrophobicContact CB-CB 4.21Å; C1021-R1025 WeakPolarHBondContact O-CB 3.32Å; C1021-R1025 PolarHBondContact O-N 3.23Å
1022Q97.8Very high96.8Very high100 Ų10076.5 Ų76.547%0.46734%0.342SS..Hα-helixtrans-67.6-37.1-178.9-64.8179.2-7.500111.7F992 Y1003 R1025 F1026F992-Q1022 HydrophobicContact CE2-CB 4.15Å; F992-Q1022 HydrophobicContact CE2-CG 4.21Å; F992-Q1022 HydrophobicContact CZ-CB 4.3Å; F992-Q1022 WeakPolarHBondContact CZ-O 3.39Å; Y1003-Q1022 HydrophobicContact CD1-CB 3.82Å; Y1003-Q1022 HydrophobicContact CD2-CB 3.85Å; Y1003-Q1022 HydrophobicContact CE1-CB 3.98Å; Y1003-Q1022 HydrophobicContact CE2-CB 3.98Å; Y1003-Q1022 HydrophobicContact CG-CB 3.76Å; Q1022-R1025 PolarHBondContact O-N 2.83Å; Q1022-F1026 WeakPolarHBondContact O-CB 3.25Å; Q1022-F1026 PolarHBondContact O-N 3.33Å
1023Y98.3Very high96.7Very high46 Ų4674.5 Ų74.518%0.1834%0.339CS..Hα-helixtrans-58.1-59.3174.3178.5-95.4000112.1Y1003 C1005 K1009 R1025 F1026 Q1027Y1003-Y1023 WeakPolarHBondContact O-CD2 3.46Å; C1005-Y1023 HydrophobicContact CB-CD1 3.73Å; C1005-Y1023 HydrophobicContact CB-CE1 4.4Å; C1005-Y1023 HydrophobicContact CB-CG 4.16Å; K1009-Y1023 HydrophobicContact CB-CE1 3.84Å; K1009-Y1023 HydrophobicContact CD-CE1 4Å; K1009-Y1023 HydrophobicContact CG-CD1 4.32Å; K1009-Y1023 HydrophobicContact CG-CE1 3.63Å; Y1023-R1025 VanDerWaalsContact C-N 3.26Å; Y1023-R1025 PolarHBondContact O-N 3.43Å; Y1023-F1026 PolarHBondContact O-N 2.88Å; Y1023-Q1027 HydrophobicContact CD1-CG 4.02Å; Y1023-Q1027 HydrophobicContact CD2-CG 4.3Å; Y1023-Q1027 HydrophobicContact CE1-CG 3.66Å; Y1023-Q1027 HydrophobicContact CE2-CG 3.99Å; Y1023-Q1027 HydrophobicContact CG-CG 4.35Å; Y1023-Q1027 WeakPolarHBondContact O-CG 3.38Å; Y1023-Q1027 PolarHBondContact O-N 2.87Å
1024C98.4Very high96.6Very high7 Ų774.4 Ų74.45%0.04734%0.338CS..Hα-helixtrans-62.4-33.9-176.8-60.40000112.2K1009 C1011 V1013 C1021 K1028K1009-C1024 PolarHBondContact O-SG 3.28Å; C1011-C1024 HydrophobicContact CB-CB 3.9Å; C1011-C1024 PolarHBondContact N-SG 3.48Å; C1011-C1024 WeakPolarHBondContact O-CB 3.37Å; V1013-C1024 HydrophobicContact CG2-CB 4.26Å; C1021-C1024 HydrophobicContact CB-CB 4.21Å; C1024-K1028 WeakPolarHBondContact O-CB 3.39Å; C1024-K1028 PolarHBondContact O-N 3.25Å
1025R98.3Very high96.4Very high10 Ų1072.4 Ų72.44%0.03833%0.328CS..Hα-helixtrans-63.6-45.3171.8-170-166.3-166.5151.1-3.7112.2V971 G988 C989 F992 V1013 R1018 N1019 C1021 Q1022 Y1023 K1028 C1029V971-R1025 HydrophobicContact CG1-CG 4.35Å; G988-R1025 PolarHBondContact O-NH2 3.13Å; C989-R1025 PolarHBondContact SG-NH2 3.34Å; C989-R1025 VanDerWaalsContact SG-NH2 3.36Å; F992-R1025 VanDerWaalsContact CD1-CD 3.48Å; F992-R1025 HydrophobicContact CD1-CG 4.05Å; F992-R1025 HydrophobicContact CE1-CB 4.11Å; F992-R1025 HydrophobicContact CE1-CG 3.85Å; F992-R1025 HydrophobicContact CZ-CB 4.23Å; F992-R1025 HydrophobicContact CZ-CG 4.34Å; V1013-R1025 HydrophobicContact CG1-CB 4.24Å; V1013-R1025 HydrophobicContact CG1-CG 4Å; R1018-R1025 VanDerWaalsContact O-CD 3.26Å; R1018-R1025 WeakPolarHBondContact O-CD 3.49Å; R1018-R1025 PolarHBondContact O-NH1 3.49Å; R1018-R1025 VanDerWaalsContact O-NH1 3.12Å; N1019-R1025 PolarHBondContact OD1-NH1 3.39Å; C1021-R1025 WeakPolarHBondContact O-CB 3.32Å; C1021-R1025 PolarHBondContact O-N 3.23Å; Q1022-R1025 PolarHBondContact O-N 2.83Å; Y1023-R1025 VanDerWaalsContact C-N 3.26Å; Y1023-R1025 PolarHBondContact O-N 3.43Å; R1025-K1028 PolarHBondContact O-N 3.14Å; R1025-C1029 PolarHBondContact O-N 3.35Å; R1025-C1029 PolarHBondContact O-SG 2.91Å; R1025-C1029 VanDerWaalsContact O-SG 3.41Å
1026F98.2Very high96.3Very high30 Ų3070.5 Ų70.513%0.13232%0.319CS..Hα-helixtrans-68.9-41.3180-175.8-123.4000112.2F992 F993 T996 I997 Y1003 Q1022 Y1023 K1028 C1029 L1030F992-F1026 HydrophobicContact CE1-CB 3.81Å; F992-F1026 HydrophobicContact CE1-CD2 4.31Å; F992-F1026 HydrophobicContact CZ-CB 3.97Å; F993-F1026 HydrophobicContact CD2-CD2 4.14Å; F993-F1026 AromaticContact CD2-CE2 3.84Å; F993-F1026 HydrophobicContact CD2-CE2 3.84Å; F993-F1026 HydrophobicContact CE2-CD2 4.4Å; F993-F1026 AromaticContact CE2-CE2 3.75Å; F993-F1026 HydrophobicContact CE2-CE2 3.75Å; T996-F1026 HydrophobicContact CG2-CD1 4.02Å; T996-F1026 HydrophobicContact CG2-CD2 3.58Å; T996-F1026 HydrophobicContact CG2-CE1 4Å; T996-F1026 HydrophobicContact CG2-CE2 3.56Å; T996-F1026 HydrophobicContact CG2-CG 3.82Å; T996-F1026 HydrophobicContact CG2-CZ 3.78Å; I997-F1026 HydrophobicContact CD1-CE2 3.72Å; I997-F1026 HydrophobicContact CD1-CZ 3.55Å; I997-F1026 HydrophobicContact CG1-CE2 4.46Å; Y1003-F1026 HydrophobicContact CD2-CB 4.11Å; Y1003-F1026 HydrophobicContact CE2-CB 4.39Å; Q1022-F1026 WeakPolarHBondContact O-CB 3.25Å; Q1022-F1026 PolarHBondContact O-N 3.33Å; Y1023-F1026 PolarHBondContact O-N 2.88Å; F1026-K1028 VanDerWaalsContact C-N 3.31Å; F1026-K1028 PolarHBondContact O-N 2.99Å; F1026-C1029 WeakPolarHBondContact O-CB 3.28Å; F1026-C1029 PolarHBondContact O-N 2.95Å; F1026-C1029 VanDerWaalsContact O-N 3.15Å; F1026-L1030 HydrophobicContact CD1-CD1 4.23Å; F1026-L1030 HydrophobicContact CE1-CD1 3.78Å; F1026-L1030 HydrophobicContact CE1-CG 4.47Å; F1026-L1030 HydrophobicContact CE2-CD1 4.46Å; F1026-L1030 HydrophobicContact CE2-CD2 4.4Å; F1026-L1030 HydrophobicContact CE2-CG 4.3Å; F1026-L1030 HydrophobicContact CZ-CD1 3.91Å; F1026-L1030 HydrophobicContact CZ-CD2 4.26Å; F1026-L1030 HydrophobicContact CZ-CG 4.18Å; F1026-L1030 PolarHBondContact O-N 3.49Å
1027Q97.6Very high95.9Very high78 Ų7865.3 Ų65.336%0.36431%0.305SS..Hα-helixtrans-59-42171.2-64.8-57.3-21.800111.4Y1023 L1030 K1031Y1023-Q1027 HydrophobicContact CD1-CG 4.02Å; Y1023-Q1027 HydrophobicContact CD2-CG 4.3Å; Y1023-Q1027 HydrophobicContact CE1-CG 3.66Å; Y1023-Q1027 HydrophobicContact CE2-CG 3.99Å; Y1023-Q1027 HydrophobicContact CG-CG 4.35Å; Y1023-Q1027 WeakPolarHBondContact O-CG 3.38Å; Y1023-Q1027 PolarHBondContact O-N 2.87Å; Q1027-L1030 PolarHBondContact O-N 2.89Å; Q1027-K1031 WeakPolarHBondContact O-CB 3.41Å; Q1027-K1031 PolarHBondContact O-N 3.43Å
1028K98Very high95.5Very high72 Ų7261.7 Ų61.731%0.31330%0.295SS..Hα-helixtrans-67-36.7174.4-165.6174.4176.5-170.20112.6V971 V1013 C1024 R1025 F1026 K1031 V1032V971-K1028 VanDerWaalsContact O-CD 3.23Å; V971-K1028 WeakPolarHBondContact O-CD 3.37Å; V971-K1028 WeakPolarHBondContact O-CE 3.21Å; V971-K1028 PolarHBondContact O-NZ 3.31Å; V1013-K1028 HydrophobicContact CB-CD 3.81Å; V1013-K1028 HydrophobicContact CG1-CD 4.27Å; V1013-K1028 HydrophobicContact CG2-CD 4.24Å; V1013-K1028 PolarHBondContact O-NZ 3.06Å; V1013-K1028 VanDerWaalsContact O-NZ 3.1Å; C1024-K1028 WeakPolarHBondContact O-CB 3.39Å; C1024-K1028 PolarHBondContact O-N 3.25Å; R1025-K1028 PolarHBondContact O-N 3.14Å; F1026-K1028 VanDerWaalsContact C-N 3.31Å; F1026-K1028 PolarHBondContact O-N 2.99Å; K1028-K1031 PolarHBondContact O-N 3.04Å; K1028-V1032 HydrophobicContact CG-CG1 4.46Å; K1028-V1032 WeakPolarHBondContact O-CG1 3.33Å; K1028-V1032 WeakPolarHBondContact O-CG2 3.34Å; K1028-V1032 PolarHBondContact O-N 3.01Å
1029C98.1Very high95Very high0 Ų060.1 Ų60.10%029%0.29CS..Hα-helixtrans-56.9-48.1171-76.30000111.8F993 R1025 F1026 V1032 M1034F993-C1029 HydrophobicContact CD2-CB 3.74Å; F993-C1029 HydrophobicContact CE2-CB 4.24Å; R1025-C1029 PolarHBondContact O-N 3.35Å; R1025-C1029 PolarHBondContact O-SG 2.91Å; R1025-C1029 VanDerWaalsContact O-SG 3.41Å; F1026-C1029 WeakPolarHBondContact O-CB 3.28Å; F1026-C1029 PolarHBondContact O-N 2.95Å; F1026-C1029 VanDerWaalsContact O-N 3.15Å; C1029-V1032 WeakPolarHBondContact O-CG2 3.43Å; C1029-M1034 HydrophobicContact CB-CB 4.36Å; C1029-M1034 HydrophobicContact CB-CG 4.29Å; C1029-M1034 HydrophobicContact CB-SD 3.66Å; C1029-M1034 WeakPolarHBondContact O-CB 3.13Å; C1029-M1034 VanDerWaalsContact O-CG 3.27Å; C1029-M1034 WeakPolarHBondContact O-CG 3.29Å; C1029-M1034 PolarHBondContact O-N 3.17Å
1030L96.8Very high94.1Very high62 Ų6261.4 Ų61.433%0.32529%0.286SS..Hα-helixtrans-64.9-46176.9-65.5172.5000111.4F993 F1026 Q1027 V1032 G1033F993-L1030 HydrophobicContact CE2-CD2 4.04Å; F1026-L1030 HydrophobicContact CD1-CD1 4.23Å; F1026-L1030 HydrophobicContact CE1-CD1 3.78Å; F1026-L1030 HydrophobicContact CE1-CG 4.47Å; F1026-L1030 HydrophobicContact CE2-CD1 4.46Å; F1026-L1030 HydrophobicContact CE2-CD2 4.4Å; F1026-L1030 HydrophobicContact CE2-CG 4.3Å; F1026-L1030 HydrophobicContact CZ-CD1 3.91Å; F1026-L1030 HydrophobicContact CZ-CD2 4.26Å; F1026-L1030 HydrophobicContact CZ-CG 4.18Å; F1026-L1030 PolarHBondContact O-N 3.49Å; Q1027-L1030 PolarHBondContact O-N 2.89Å; L1030-V1032 VanDerWaalsContact C-N 3.3Å; L1030-V1032 PolarHBondContact O-N 3.15Å; L1030-G1033 WeakPolarHBondContact O-CA 3.46Å; L1030-G1033 PolarHBondContact O-N 2.94Å
1031K96.7Very high92.9Very high162 Ų16260.6 Ų60.670%0.70428%0.282SS*.Hα-helixtrans-62.3-29.6-179.3-175.2168.2-179.1171.30114Q1027 K1028 G1033Q1027-K1031 WeakPolarHBondContact O-CB 3.41Å; Q1027-K1031 PolarHBondContact O-N 3.43Å; K1028-K1031 PolarHBondContact O-N 3.04Å; K1031-G1033 VanDerWaalsContact C-N 3.25Å; K1031-G1033 PolarHBondContact O-N 3.47Å
1032V95.6Very high90.8Very high43 Ų4365 Ų6526%0.26131%0.305SS..THydrogen-bonded Turntrans-83.93.9172.1-56.80000113.7L970 V971 V983 K1028 C1029 L1030 M1034L970-V1032 HydrophobicContact CB-CB 4.3Å; L970-V1032 HydrophobicContact CB-CG1 4.15Å; V971-V1032 HydrophobicContact CG2-CG2 3.58Å; V983-V1032 HydrophobicContact CG1-CB 4.15Å; V983-V1032 HydrophobicContact CG1-CG2 3.79Å; V983-V1032 WeakPolarHBondContact CG1-O 3.4Å; V983-V1032 HydrophobicContact CG2-CG2 4.47Å; V983-V1032 WeakPolarHBondContact CG2-O 3.3Å; K1028-V1032 HydrophobicContact CG-CG1 4.46Å; K1028-V1032 WeakPolarHBondContact O-CG1 3.33Å; K1028-V1032 WeakPolarHBondContact O-CG2 3.34Å; K1028-V1032 PolarHBondContact O-N 3.01Å; C1029-V1032 WeakPolarHBondContact O-CG2 3.43Å; L1030-V1032 VanDerWaalsContact C-N 3.3Å; L1030-V1032 PolarHBondContact O-N 3.15Å; V1032-M1034 HydrophobicContact CG2-CG 4.15Å
1033G94.6Very high88.8Confident42 Ų4265.1 Ų65.143%0.43332%0.317SS..THydrogen-bonded Turntrans93.220.9174.800000116.1V983 L1030 K1031 V1035V983-G1033 VanDerWaalsContact CG2-O 3.27Å; V983-G1033 WeakPolarHBondContact CG2-O 3.17Å; L1030-G1033 WeakPolarHBondContact O-CA 3.46Å; L1030-G1033 PolarHBondContact O-N 2.94Å; K1031-G1033 VanDerWaalsContact C-N 3.25Å; K1031-G1033 PolarHBondContact O-N 3.47Å; G1033-V1035 PolarHBondContact O-N 3.05Å
1034M96.2Very high86.5Confident6 Ų670.4 Ų70.43%0.0335%0.348CS..  trans-69.8120.9179.4-65.5-171.278.600111.4V971 Y981 V983 T985 F993 C1029 V1032 K1036V971-M1034 HydrophobicContact CG2-SD 4.04Å; Y981-M1034 HydrophobicContact CD2-CE 3.77Å; Y981-M1034 HydrophobicContact CG-CE 4.41Å; Y981-M1034 WeakPolarHBondContact O-CA 3.44Å; V983-M1034 HydrophobicContact CB-CG 3.94Å; V983-M1034 HydrophobicContact CG2-CB 4.36Å; V983-M1034 HydrophobicContact CG2-CG 3.75Å; T985-M1034 HydrophobicContact CG2-CE 4.27Å; T985-M1034 HydrophobicContact CG2-SD 3.95Å; F993-M1034 HydrophobicContact CB-CE 3.74Å; F993-M1034 HydrophobicContact CB-SD 4.26Å; F993-M1034 HydrophobicContact CD1-CB 4.31Å; F993-M1034 HydrophobicContact CD1-CE 3.97Å; F993-M1034 HydrophobicContact CD2-CB 3.92Å; F993-M1034 HydrophobicContact CD2-CE 4.4Å; F993-M1034 HydrophobicContact CD2-SD 4.21Å; F993-M1034 HydrophobicContact CE1-CB 4.03Å; F993-M1034 HydrophobicContact CE2-CB 3.62Å; F993-M1034 HydrophobicContact CG-CB 4.26Å; F993-M1034 HydrophobicContact CG-CE 3.78Å; F993-M1034 HydrophobicContact CG-SD 4.17Å; F993-M1034 HydrophobicContact CZ-CB 3.69Å; F993-M1034 WeakPolarHBondContact CZ-O 3.1Å; C1029-M1034 HydrophobicContact CB-CB 4.36Å; C1029-M1034 HydrophobicContact CB-CG 4.29Å; C1029-M1034 HydrophobicContact CB-SD 3.66Å; C1029-M1034 WeakPolarHBondContact O-CB 3.13Å; C1029-M1034 VanDerWaalsContact O-CG 3.27Å; C1029-M1034 WeakPolarHBondContact O-CG 3.29Å; C1029-M1034 PolarHBondContact O-N 3.17Å; V1032-M1034 HydrophobicContact CG2-CG 4.15Å; M1034-K1036 PolarHBondContact O-N 3.46Å
1035V92Very high84.2Confident14 Ų1480 Ų809%0.08539%0.389CS..  trans-83.7113.2-168.3-176.60000111.9Y981 F993 G1033 E1037 V1038 A1055Y981-V1035 WeakPolarHBondContact O-CG2 3.49Å; Y981-V1035 PolarHBondContact O-N 2.97Å; F993-V1035 WeakPolarHBondContact CE1-O 3.33Å; G1033-V1035 PolarHBondContact O-N 3.05Å; V1035-E1037 HydrophobicContact CG1-CB 4.08Å; V1035-E1037 VanDerWaalsContact CG1-OE2 3.27Å; V1035-E1037 WeakPolarHBondContact CG1-OE2 3.35Å; V1035-V1038 HydrophobicContact CB-CB 4.41Å; V1035-V1038 HydrophobicContact CB-CG2 4.02Å; V1035-V1038 HydrophobicContact CG1-CB 4.24Å; V1035-V1038 HydrophobicContact CG1-CG2 3.63Å; V1035-A1055 HydrophobicContact CG1-CB 3.49Å; V1035-A1055 VanDerWaalsContact CG1-CB 3.49Å; V1035-A1055 HydrophobicContact CG2-CB 4.31Å; V1035-A1055 WeakPolarHBondContact CG2-O 3.47Å
1036K92.1Very high81.5Confident84 Ų8482.4 Ų82.437%0.36542%0.416SS..SBendtrans-68.2-35.3-179.461.6-173.4179.5-173.60112.3F993 I997 M1034 V1038 V1039 L1059F993-K1036 HydrophobicContact CZ-CB 4.26Å; I997-K1036 HydrophobicContact CD1-CB 3.64Å; I997-K1036 HydrophobicContact CG1-CB 4.04Å; I997-K1036 HydrophobicContact CG2-CB 4.33Å; M1034-K1036 PolarHBondContact O-N 3.46Å; K1036-V1038 VanDerWaalsContact C-N 3.27Å; K1036-V1038 PolarHBondContact O-N 3.32Å; K1036-V1039 WeakPolarHBondContact O-CB 2.97Å; K1036-V1039 PolarHBondContact O-N 2.99Å; K1036-L1059 VanDerWaalsContact NZ-CD1 3.31Å
1037E87.8Confident78.9Confident118 Ų11892.4 Ų92.455%0.55145%0.453SS*.THydrogen-bonded Turntrans-62.6-30.7-177.5-64.969-153.500112.7V1035 V1039V1035-E1037 HydrophobicContact CG1-CB 4.08Å; V1035-E1037 VanDerWaalsContact CG1-OE2 3.27Å; V1035-E1037 WeakPolarHBondContact CG1-OE2 3.35Å; E1037-V1039 PolarHBondContact O-N 3.37Å
1038V84.7Confident76.4Confident33 Ų33101.2 Ų101.220%0.248%0.483CS..THydrogen-bonded Turntrans-73-20.3177.6173.10000111.5Y981 V1035 K1036 R1040 L1051Y981-V1038 HydrophobicContact CD1-CB 4.14Å; Y981-V1038 HydrophobicContact CD1-CG1 3.76Å; Y981-V1038 HydrophobicContact CE1-CG1 4.28Å; V1035-V1038 HydrophobicContact CB-CB 4.41Å; V1035-V1038 HydrophobicContact CB-CG2 4.02Å; V1035-V1038 HydrophobicContact CG1-CB 4.24Å; V1035-V1038 HydrophobicContact CG1-CG2 3.63Å; K1036-V1038 VanDerWaalsContact C-N 3.27Å; K1036-V1038 PolarHBondContact O-N 3.32Å; V1038-R1040 VanDerWaalsContact C-N 3.33Å; V1038-R1040 PolarHBondContact O-N 3.26Å; V1038-L1051 HydrophobicContact CG1-CD1 3.85Å; V1038-L1051 HydrophobicContact CG1-CD2 3.93Å; V1038-L1051 HydrophobicContact CG1-CG 3.85Å; V1038-L1051 HydrophobicContact CG2-CD2 3.86Å; V1038-L1051 HydrophobicContact CG2-CG 4.08Å
1039V84.7Confident73.9Confident9 Ų999.5 Ų99.56%0.05549%0.486CS..SBendtrans-77.585.2176-170.70000109.7Y981 F993 K994 I997 Q998 K1036 E1037 R1041Y981-V1039 HydrophobicContact CD1-CG2 3.69Å; Y981-V1039 HydrophobicContact CE1-CB 4.46Å; Y981-V1039 HydrophobicContact CE1-CG2 3.63Å; Y981-V1039 HydrophobicContact CG-CG2 4.39Å; F993-V1039 HydrophobicContact CD1-CG2 3.8Å; F993-V1039 HydrophobicContact CE1-CG2 3.58Å; K994-V1039 HydrophobicContact CG-CG1 3.98Å; I997-V1039 HydrophobicContact CB-CB 3.96Å; I997-V1039 HydrophobicContact CB-CG1 3.98Å; I997-V1039 HydrophobicContact CB-CG2 4.1Å; I997-V1039 HydrophobicContact CG1-CB 4.46Å; I997-V1039 HydrophobicContact CG1-CG2 4.09Å; I997-V1039 HydrophobicContact CG2-CB 3.81Å; I997-V1039 HydrophobicContact CG2-CG1 4.13Å; I997-V1039 HydrophobicContact CG2-CG2 4.34Å; Q998-V1039 HydrophobicContact CG-CG1 3.56Å; K1036-V1039 WeakPolarHBondContact O-CB 2.97Å; K1036-V1039 PolarHBondContact O-N 2.99Å; E1037-V1039 PolarHBondContact O-N 3.37Å; V1039-R1041 PolarHBondContact O-N 3.23Å
1040R77.3Confident71.4Confident147 Ų147109.5 Ų109.556%0.55552%0.524SS*.  trans-51.8123.7171.2-63.8-178.7177.6109.3-1.8109.8Q998 V1038 G1049Q998-R1040 PolarHBondContact NE2-O 3.42Å; V1038-R1040 VanDerWaalsContact C-N 3.33Å; V1038-R1040 PolarHBondContact O-N 3.26Å; R1040-G1049 PolarHBondContact NH1-O 2.92Å; R1040-G1049 PolarHBondContact NH2-O 3.43Å
1041R68.9Low69.2Low196 Ų196110.7 Ų110.774%0.7453%0.53SS*.  trans-64.9137.2162.8-71.5-179.3-88.2161.9-6107.3V1039 S1043V1039-R1041 PolarHBondContact O-N 3.23Å; R1041-S1043 PolarHBondContact O-N 2.68Å
1042D55.5Low66.8Low105 Ų105107 Ų10756%0.56153%0.525SS*.THydrogen-bonded Turntrans-7418.1-162.7-72.9-45.1000115K994 Q998 L1044K994-D1042 IonicContact NZ-OD1 2.63Å; K994-D1042 IonicContact NZ-OD2 2.79Å; K994-D1042 PolarHBondContact NZ-OD2 2.82Å; Q998-D1042 VanDerWaalsContact CD-OD2 3.29Å; Q998-D1042 PolarHBondContact NE2-OD1 2.88Å; Q998-D1042 VanDerWaalsContact NE2-OD1 3.14Å; Q998-D1042 PolarHBondContact NE2-OD2 2.83Å; Q998-D1042 PolarHBondContact OE1-OD2 2.88Å; D1042-L1044 VanDerWaalsContact C-N 3.31Å; D1042-L1044 PolarHBondContact O-N 3.03Å
1043S54.4Low64.1Low104 Ų104105.8 Ų105.873%0.72752%0.518SS*.THydrogen-bonded Turntrans-71.2-15.1179.9-44.90000114.9R1041R1041-S1043 PolarHBondContact O-N 2.68Å
1044L50.4Low61.2Low157 Ų157107.3 Ų107.382%0.82251%0.513SS*.  trans-131.375.8-172.5-67.3175.8000112.6D1042 G1046D1042-L1044 VanDerWaalsContact C-N 3.31Å; D1042-L1044 PolarHBondContact O-N 3.03Å; L1044-G1046 PolarHBondContact O-N 3.19Å
1045K49.6Very low58.3Low208 Ų208108.9 Ų108.990%0.90453%0.527SS*.  trans-73.268.3168.8-72.5-179.3177.31740111.1
1046G41.7Very low55.3Low60 Ų60111.6 Ų111.662%0.61954%0.535SS*.  trans-147.47.9-161.700000120.7L1044L1044-G1046 PolarHBondContact O-N 3.19Å
1047R45.2Very low52.2Low241 Ų241110.5 Ų110.591%0.90954%0.538SS*.  trans-179.5141.7161.7-103.5160.4-163.4-155.25.1111G1049R1047-G1049 VanDerWaalsContact C-N 3.29Å; R1047-G1049 PolarHBondContact O-N 2.97Å
1048R43.1Very low49.5Very low263 Ų263113.2 Ų113.299%0.99255%0.55SS**  trans-81.267.2176.8-66.2-175.4-173.9170.63111.7R1050R1048-R1050 PolarHBondContact O-N 2.9Å
1049G45.5Very low47.1Very low36 Ų36116.9 Ų116.937%0.37157%0.568SS.*PPolyproline II helixtrans-74.9116.9178.300000113.1R1040 R1047R1040-G1049 PolarHBondContact NH1-O 2.92Å; R1040-G1049 PolarHBondContact NH2-O 3.43Å; R1047-G1049 VanDerWaalsContact C-N 3.29Å; R1047-G1049 PolarHBondContact O-N 2.97Å
1050R46.3Very low44.5Very low210 Ų210124 Ų12479%0.79261%0.606SS**PPolyproline II helixtrans-49.3153.8162.2-155.7175.4-167.4169.23.3109.3R1048 S1052R1048-R1050 PolarHBondContact O-N 2.9Å; R1050-S1052 PolarHBondContact O-N 2.78Å
1051L50.3Low42.2Very low87 Ų87124.8 Ų124.846%0.45562%0.616SS.*PPolyproline II helixtrans-60.4141171.8-87.771.7000109V1038V1038-L1051 HydrophobicContact CG1-CD1 3.85Å; V1038-L1051 HydrophobicContact CG1-CD2 3.93Å; V1038-L1051 HydrophobicContact CG1-CG 3.85Å; V1038-L1051 HydrophobicContact CG2-CD2 3.86Å; V1038-L1051 HydrophobicContact CG2-CG 4.08Å
1052S46.3Very low40.3Very low84 Ų84124.1 Ų124.159%0.58762%0.621SS**PPolyproline II helixtrans-90.1130.3154.4175.20000107.1R1050 K1054R1050-S1052 PolarHBondContact O-N 2.78Å; S1052-K1054 PolarHBondContact O-N 3.4Å
1053S39Very low38.8Very low18 Ų18123 Ų12313%0.12663%0.634CS.*SBendtrans-72.915.3-167.9-79.20000117.2A1055 H1429 E1433S1053-A1055 VanDerWaalsContact C-N 3.31Å; S1053-A1055 PolarHBondContact O-N 2.98Å; S1053-H1429 WeakPolarHBondContact CB-CE1 3.3Å; S1053-H1429 WeakPolarHBondContact CB-ND1 3.5Å; S1053-H1429 PolarHBondContact O-ND1 2.97Å; S1053-H1429 PolarHBondContact OG-CE1 3.21Å; S1053-H1429 PolarHBondContact OG-NE2 3.33Å; S1053-E1433 VanDerWaalsContact CB-CG 3.41Å; S1053-E1433 VanDerWaalsContact CB-OE2 3.25Å; S1053-E1433 WeakPolarHBondContact CB-OE2 3.43Å; S1053-E1433 PolarHBondContact N-OE2 2.77Å; S1053-E1433 WeakPolarHBondContact OG-CG 3.35Å; S1053-E1433 PolarHBondContact OG-OE2 2.79Å; S1053-E1433 VanDerWaalsContact OG-OE2 3.07Å
1054K34.9Very low37.5Very low73 Ų73121.4 Ų121.432%0.31763%0.634SS.*  trans-90.826.6-168.8-149.4166.8-166.8149.30115.2S1052 S1123S1052-K1054 PolarHBondContact O-N 3.4Å; K1054-S1123 WeakPolarHBondContact CD-OG 3.15Å; K1054-S1123 PolarHBondContact NZ-O 3.22Å; K1054-S1123 PolarHBondContact NZ-OG 3.2Å
1055A33.5Very low36.4Very low39 Ų39121.8 Ų121.832%0.32264%0.636SS.*  trans-132.265.4-179.100000110V1035 S1053V1035-A1055 HydrophobicContact CG1-CB 3.49Å; V1035-A1055 VanDerWaalsContact CG1-CB 3.49Å; V1035-A1055 HydrophobicContact CG2-CB 4.31Å; V1035-A1055 WeakPolarHBondContact CG2-O 3.47Å; S1053-A1055 VanDerWaalsContact C-N 3.31Å; S1053-A1055 PolarHBondContact O-N 2.98Å
1056R30.9Very low35.4Very low71 Ų71117.4 Ų117.427%0.26863%0.627SS.*  trans-146.2132.2177-128.6179.5178.1119.57106.6G982 Y1425 S1426G982-R1056 PolarHBondContact O-NH2 3.48Å; R1056-Y1425 VanDerWaalsContact CZ-CE1 3.41Å; R1056-S1426 WeakPolarHBondContact CB-OG 3.39Å; R1056-S1426 WeakPolarHBondContact CD-OG 3.29Å; R1056-S1426 VanDerWaalsContact CG-OG 3.27Å; R1056-S1426 WeakPolarHBondContact CG-OG 3.24Å
1057C26.6Very low34.6Very low61 Ų61121.3 Ų121.341%0.41263%0.634SS.*SBendtrans58.784.7-167.5-67.20000116.7S1426C1057-S1426 WeakPolarHBondContact SG-CB 3.2Å; C1057-S1426 PolarHBondContact SG-OG 3.34Å
1058Q31.3Very low33.7Very low175 Ų175116 Ų11682%0.81863%0.632SS**  trans-176.1116.8136.3-103.6168.913.800109.1
1059L33.9Very low32.8Very low111 Ų111113.8 Ų113.858%0.58163%0.625SS**  trans168.354148.7-94171000113.6K1036K1036-L1059 VanDerWaalsContact NZ-CD1 3.31Å
1060N29.1Very low31.7Very low158 Ų158117.4 Ų117.485%0.84565%0.645SS**SBend-91.3141.6121.3-67.8-7.4000105.5
1061E28.9Very low30.8Very low164 Ų164115.6 Ų115.677%0.76665%0.651SS**  cis-147.3129.7-22.7-95.5-169.4129.800106.8
1062H29.4Very low29.6Very low182 Ų182114.7 Ų114.784%0.84366%0.663SS**  trans-151.270.1163.9-90.9-17.1000110.4
1063G25.5Very low28.7Very low80 Ų80116.6 Ų116.683%0.82568%0.676SS**  trans-86.4140.1132.500000107.4
1064G26.4Very low28.1Very low72 Ų72122 Ų12274%0.74270%0.702SS**  cis-168.4-167.1-3.500000110.4
1065L26.4Very low27.8Very low164 Ų164125.8 Ų125.886%0.85973%0.726SS**SBendtrans-89.1126.2172.1-122.872.8000111
1066T29.3Very low27.6Very low117 Ų117132.2 Ų132.272%0.71875%0.746SS**  trans66.6141.2157.7580000121
1067N25.7Very low27.5Very low141 Ų141136.2 Ų136.275%0.75477%0.773SS**  trans69.1121.7174.4-57.6-9.5000115.1
1068C25.1Very low27.6Very low131 Ų131140.9 Ų140.989%0.88579%0.793SS**  cis-119.1171.39.8-62.60000113.4
1069Y23.8Very low27.5Very low216 Ų216140 Ų14085%0.84779%0.793SS**  trans-90.3164.3-171.8-89.6-102.5000114.9
1070S23.3Very low27.9Very low111 Ų111137.9 Ų137.978%0.77679%0.786SS**  trans55.9113.5152.758.50000119.5
1071D27.1Very low28Very low173 Ų173137.4 Ų137.493%0.92578%0.783SS**  -146.3168.885.3-150.4-13.6000110.7
1072G24.3Very low28.1Very low68 Ų68136.8 Ų136.870%0.70178%0.78SS**  trans-114.6128.3-167.600000115.5
1073S28.9Very low28.2Very low124 Ų124131.5 Ų131.587%0.86776%0.763SS**  trans-146.1154.7154.4-169.20000110.6
1074I26.7Very low28.6Very low130 Ų130135.5 Ų135.567%0.66776%0.758SS**  trans-98135.9-166.2-65.9170.7000110.4K1076I1074-K1076 HydrophobicContact CG2-CD 4.28Å; I1074-K1076 HydrophobicContact CG2-CG 3.71Å
1075N28.8Very low28.8Very low154 Ų154138.7 Ų138.782%0.82476%0.758SS**  trans-137.8115149.5-134.2-28.8000111.1
1076K28.6Very low29Very low173 Ų173138.7 Ų138.775%0.75275%0.753SS**  trans-92.398.6-174.9-66.4165.8-176.7169.40109.1I1074I1074-K1076 HydrophobicContact CG2-CD 4.28Å; I1074-K1076 HydrophobicContact CG2-CG 3.71Å
1077N28.5Very low29Very low155 Ų155142 Ų14283%0.82976%0.758SS**  trans-152.740.8171-98.6-31.7000112.7
1078L29.4Very low29.2Very low160 Ų160146 Ų14684%0.83876%0.762SS**  trans-138132.6172.3-146.775.2000110.9
1079L29.3Very low29.4Very low155 Ų155147.2 Ų147.281%0.81276%0.76SS**  trans71.4157.2-179.2-58.4172.2000116.2
1080P42.2Very low29.5Very low67 Ų67142 Ų14244%0.43576%0.755SS.*  cis-128.9118.6-1.113.712.6000114.6H1082 S1083P1080-H1082 HydrophobicContact CB-CB 4.15Å; P1080-H1082 PolarHBondContact O-N 3.09Å; P1080-S1083 WeakPolarHBondContact CG-OG 3.3Å; P1080-S1083 PolarHBondContact O-N 3.11Å; P1080-S1083 VanDerWaalsContact O-N 3.09Å
1081L30.5Very low29.7Very low148 Ų148144.2 Ų144.278%0.77576%0.757SS**G310 helixtrans-64.6-17.9159.8-159.371.6000111.6S1083 F1084L1081-S1083 PolarHBondContact O-N 3.37Å; L1081-F1084 HydrophobicContact CD1-CD2 4.4Å; L1081-F1084 PolarHBondContact O-N 3.33Å
1082H31Very low29.6Very low151 Ų151140.2 Ų140.270%0.69974%0.742SS**G310 helixtrans-62.3-15.8170.5-159.2-78.5000113.7P1080P1080-H1082 HydrophobicContact CB-CB 4.15Å; P1080-H1082 PolarHBondContact O-N 3.09Å
1083S31.3Very low29.7Very low72 Ų72142.9 Ų142.950%0.50375%0.747SS.*G310 helixtrans-89.9-15.3176.6-670000114.1P1080 L1081 L1085P1080-S1083 WeakPolarHBondContact CG-OG 3.3Å; P1080-S1083 PolarHBondContact O-N 3.11Å; P1080-S1083 VanDerWaalsContact O-N 3.09Å; L1081-S1083 PolarHBondContact O-N 3.37Å; S1083-L1085 VanDerWaalsContact C-N 3.34Å
1084F33.1Very low29.5Very low163 Ų163142.6 Ų142.672%0.71574%0.736SS**G310 helixtrans-77.5-18.4177.3-90.7-87.1000113.7L1081 H1086L1081-F1084 HydrophobicContact CD1-CD2 4.4Å; L1081-F1084 PolarHBondContact O-N 3.33Å; F1084-H1086 PolarHBondContact O-N 3.02Å
1085L31.7Very low29.4Very low140 Ų140147 Ų14773%0.73375%0.746SS**G310 helixtrans-82.9-3.6-179-70.5171.4000114.8S1083S1083-L1085 VanDerWaalsContact C-N 3.34Å
1086H30.3Very low29.3Very low163 Ų163143.8 Ų143.876%0.75573%0.731SS**G310 helixtrans-121.77.2-176.4-93.3-79.6000115.8F1084F1084-H1086 PolarHBondContact O-N 3.02Å
1087K29.1Very low29.1Very low188 Ų188140.9 Ų140.982%0.81773%0.733SS**SBendtrans-122.726.5-179.2-144.9176.8-177.8-179.90115.7
1088R30.9Very low29Very low223 Ų223141 Ų14184%0.84273%0.732SS**SBendtrans-133.78.4165.4-87.3-167.9165.8112.7-3.2115.6S1090R1088-S1090 VanDerWaalsContact C-N 3.29Å; R1088-S1090 PolarHBondContact O-N 2.99Å
1089N28.4Very low29.1Very low157 Ų157140.6 Ų140.684%0.8473%0.731SS**  trans-91.259.9168.2-75.57.3000111.1
1090S25.2Very low28.8Very low108 Ų108136.4 Ų136.476%0.75573%0.725SS**  trans-148.532.9174.670.30000112.5R1088R1088-S1090 VanDerWaalsContact C-N 3.29Å; R1088-S1090 PolarHBondContact O-N 2.99Å
1091I29.1Very low28.2Very low157 Ų157143.5 Ų143.581%0.80575%0.749SS**  trans-119.4119.4157.9-63.8179.6000105.7P1093I1091-P1093 WeakPolarHBondContact O-CD 3.41Å
1092S24.8Very low27.8Very low88 Ų88145.8 Ų145.862%0.61575%0.748SS**  trans-93.5117.8-177175.70000110.2N1094S1092-N1094 VanDerWaalsContact C-N 3.27Å; S1092-N1094 PolarHBondContact O-N 2.99Å
1093P26.8Very low27.4Very low125 Ų125147.7 Ų147.781%0.81275%0.75SS**  trans-8768.1164.635.6-31.9000109.6I1091I1091-P1093 WeakPolarHBondContact O-CD 3.41Å
1094N23.8Very low27.2Very low118 Ų118150 Ų15063%0.63177%0.766SS**  trans-123.381.8171.3-90.1-41.3000110.9S1092S1092-N1094 VanDerWaalsContact C-N 3.27Å; S1092-N1094 PolarHBondContact O-N 2.99Å
1095Y24.8Very low26.7Very low222 Ų222145.9 Ų145.987%0.87177%0.77SS**  -115.499.4126.9-98.5-104.9000104.9
1096T26.6Very low26.6Very low86 Ų86145.4 Ų145.453%0.52878%0.778SS.*  4994.278.372.60000111.1
1097S24.9Very low26.3Very low113 Ų113145 Ų14579%0.7978%0.782SS**  71.2119.352.4-45.30000114.7
1098I26.9Very low26.3Very low156 Ų156144.3 Ų144.380%0.879%0.785SS**  trans-169.8126.7164.3-100.9150.3000104.1
1099N29.8Very low26.1Very low152 Ų152141.5 Ų141.581%0.81378%0.781SS**  cis-130.9163.8-4.3-79.6-42000109.4
1100G24.8Very low25.9Very low68 Ų68140.6 Ų140.670%0.70178%0.776SS**  cis138.3102.3-3.700000113.3
1101K27.8Very low26Very low216 Ų216143.4 Ų143.494%0.93978%0.782SS**  trans-147.9140.8158.8-103.7168.2-175.2171.30108.6
1102R22.6Very low25.9Very low196 Ų196142.9 Ų142.974%0.7478%0.781SS**  trans-130.2163.1-173.5-67.7-174.9-177.6173.62.6111.1
1103Y23.3Very low25.9Very low191 Ų191143.6 Ų143.675%0.74979%0.786SS**  trans68.8152.1169.2-44.3-71.6000114.1
1104S26.2Very low25.8Very low119 Ų119144.8 Ų144.883%0.83279%0.786SS**  cis-132.7159.86.5-56.60000110.7
1105G23.5Very low26Very low77 Ų77151.1 Ų151.179%0.79480%0.801SS**  trans-93.2168.4-179.700000114.8
1106S29.6Very low26Very low130 Ų130146.3 Ų146.391%0.90979%0.794SS**  trans-137.8136.1163.2-74.60000109.4
1107N23.8Very low26Very low156 Ų156149.8 Ų149.883%0.83481%0.81SS**  trans-77.6150.9176.3-63.9-50.4000111.5
1108I29.6Very low26.2Very low172 Ų172148.3 Ų148.388%0.88280%0.8SS**  trans-149.8132.1141.9-96.8145.1000106.9
1109Q24.9Very low26.1Very low164 Ų164146 Ų14677%0.76680%0.796SS**  trans-96.4152.5175.8-90.6173.1-80.300111.3
1110L25.5Very low26.4Very low138 Ų138144.1 Ų144.172%0.72379%0.79SS**  trans44.4123.7144.1-62.5166.2000118.5
1111N26.6Very low27Very low168 Ų168145.1 Ų145.190%0.89878%0.783SS**  -159.1161.996.5-112-41.9000114.8
1112N27.7Very low28Very low146 Ų146139.4 Ų139.478%0.78176%0.762SS**  trans-115.6124.8-170.8-169.311.3000110.3
1113S23.7Very low29.9Very low102 Ų102132.1 Ų132.171%0.71374%0.742SS**  trans-176144.2159.3-91.50000114.7
1114N24.7Very low32Very low151 Ų151124 Ų12481%0.80771%0.712SS**  trans55.181.4150.3-61.7-24.8000119.6
1115R28Very low34.2Very low251 Ų251122.5 Ų122.595%0.94770%0.698SS**  trans-142.481.7145.5-113.1179.9-165.7-158.54.2113.6
1116T24.9Very low36.9Very low120 Ų120122.5 Ų122.574%0.73668%0.682SS**  trans-65.5160.9157.148.90000110.8
1117N26.7Very low39.8Very low159 Ų159116.5 Ų116.585%0.8564%0.64SS**  trans86.852.2173.9-50-38000118.4
1118S29.1Very low43Very low83 Ų83109.5 Ų109.558%0.5860%0.602SS**  trans-150121.5142.9-171.10000111
1119C26.1Very low45.7Very low106 Ų106104.3 Ų104.372%0.71658%0.581SS**  trans-153.2-2.6179.551.70000115.5
1120T35.9Very low48.9Very low114 Ų114101 Ų10170%0.69957%0.567SS**SBendtrans-84.7-40.9176.945.30000113S1123T1120-S1123 PolarHBondContact O-OG 2.99Å
1121V36.4Very low52.2Low89 Ų8994.4 Ų94.454%0.53953%0.533SS..SBendtrans-68.7-43-174.2-175.70000111.9S1123 T1124V1121-S1123 PolarHBondContact O-N 3.09Å; V1121-S1123 VanDerWaalsContact O-N 3.1Å; V1121-T1124 PolarHBondContact O-N 2.78Å; V1121-T1124 PolarHBondContact O-OG1 2.78Å
1122N48.3Very low55.3Low95 Ų9587.4 Ų87.451%0.50850%0.496SS..Hα-helixtrans-55.3-38-173.9-55.424.8000112.1T1124 V1125 T1126N1122-T1124 VanDerWaalsContact C-N 3.32Å; N1122-T1124 PolarHBondContact O-N 3.2Å; N1122-V1125 PolarHBondContact O-N 3.22Å; N1122-T1126 PolarHBondContact O-N 3.31Å; N1122-T1126 PolarHBondContact O-OG1 3.28Å
1123S64.1Low58.3Low44 Ų4486 Ų8631%0.30848%0.48SS..Hα-helixtrans-64.3-31.1-17181.10000114.3K1054 T1120 V1121 L1127K1054-S1123 WeakPolarHBondContact CD-OG 3.15Å; K1054-S1123 PolarHBondContact NZ-O 3.22Å; K1054-S1123 PolarHBondContact NZ-OG 3.2Å; T1120-S1123 PolarHBondContact O-OG 2.99Å; V1121-S1123 PolarHBondContact O-N 3.09Å; V1121-S1123 VanDerWaalsContact O-N 3.1Å; S1123-L1127 PolarHBondContact O-N 3.49Å
1124T67.6Low61.7Low21 Ų2181.2 Ų81.213%0.12945%0.447CS..Hα-helixtrans-80.3-42.4178.142.60000110.6V1121 N1122 T1126 L1127 L1128V1121-T1124 PolarHBondContact O-N 2.78Å; V1121-T1124 PolarHBondContact O-OG1 2.78Å; N1122-T1124 VanDerWaalsContact C-N 3.32Å; N1122-T1124 PolarHBondContact O-N 3.2Å; T1124-T1126 VanDerWaalsContact C-N 3.35Å; T1124-T1126 PolarHBondContact O-N 3.49Å; T1124-L1127 PolarHBondContact O-N 3.33Å; T1124-L1127 VanDerWaalsContact O-N 3.08Å; T1124-L1128 PolarHBondContact O-N 2.61Å
1125V71.1Confident64.9Low87 Ų8775.1 Ų75.153%0.52741%0.413SS..Hα-helixtrans-56.6-47.3173.1-177.80000110.9N1122 L1127 L1128 S1129N1122-V1125 PolarHBondContact O-N 3.22Å; V1125-L1127 VanDerWaalsContact C-N 3.28Å; V1125-L1127 PolarHBondContact O-N 3.43Å; V1125-L1128 PolarHBondContact O-N 2.74Å; V1125-S1129 PolarHBondContact O-N 3.23Å; V1125-S1129 PolarHBondContact O-OG 3.18Å
1126T81.7Confident67.7Low76 Ų7667.2 Ų67.247%0.46639%0.387SS..Hα-helixtrans-61.6-34.1176-52.60000112.8N1122 T1124 S1129 M1130N1122-T1126 PolarHBondContact O-N 3.31Å; N1122-T1126 PolarHBondContact O-OG1 3.28Å; T1124-T1126 VanDerWaalsContact C-N 3.35Å; T1124-T1126 PolarHBondContact O-N 3.49Å; T1126-S1129 WeakPolarHBondContact CA-OG 3.12Å; T1126-S1129 PolarHBondContact O-OG 3.03Å; T1126-M1130 HydrophobicContact CG2-SD 4.44Å; T1126-M1130 WeakPolarHBondContact O-CG 3.34Å; T1126-M1130 PolarHBondContact O-N 3.02Å; T1126-M1130 VanDerWaalsContact O-N 3.11Å
1127L89.5Confident70.6Confident4 Ų465.7 Ų65.72%0.02137%0.373CS..Hα-helixtrans-74.5-38.3179.3-166.760.6000111.6S1123 T1124 V1125 M1130 L1131 P1210 R1430 F1431 M1434S1123-L1127 PolarHBondContact O-N 3.49Å; T1124-L1127 PolarHBondContact O-N 3.33Å; T1124-L1127 VanDerWaalsContact O-N 3.08Å; V1125-L1127 VanDerWaalsContact C-N 3.28Å; V1125-L1127 PolarHBondContact O-N 3.43Å; L1127-M1130 PolarHBondContact O-N 3.11Å; L1127-L1131 WeakPolarHBondContact O-CG 3.34Å; L1127-L1131 PolarHBondContact O-N 3.13Å; L1127-P1210 HydrophobicContact CD1-CB 3.82Å; L1127-P1210 HydrophobicContact CD1-CG 4.1Å; L1127-R1430 HydrophobicContact CD2-CG 3.89Å; L1127-F1431 HydrophobicContact CD1-CE1 4.38Å; L1127-F1431 HydrophobicContact CD2-CD1 4.19Å; L1127-F1431 HydrophobicContact CD2-CE1 4.28Å; L1127-F1431 HydrophobicContact CG-CE1 4.45Å; L1127-M1434 HydrophobicContact CB-CG 4.37Å; L1127-M1434 HydrophobicContact CB-SD 3.93Å; L1127-M1434 HydrophobicContact CD2-CB 4.15Å; L1127-M1434 HydrophobicContact CD2-CG 4.18Å; L1127-M1434 HydrophobicContact CD2-SD 3.69Å; L1127-M1434 HydrophobicContact CG-CG 4.45Å; L1127-M1434 HydrophobicContact CG-SD 3.58Å; L1127-M1434 VanDerWaalsContact CG-SD 3.58Å
1128L90Very high73.3Confident9 Ų958.4 Ų58.45%0.04733%0.334CS..Hα-helixtrans-65.6-43.2172.7-71.9166.7000111.8T1124 V1125 M1130 L1131 S1132 N1396 M1434 H1438T1124-L1128 PolarHBondContact O-N 2.61Å; V1125-L1128 PolarHBondContact O-N 2.74Å; L1128-M1130 VanDerWaalsContact C-N 3.29Å; L1128-M1130 PolarHBondContact O-N 3.26Å; L1128-L1131 PolarHBondContact O-N 3.26Å; L1128-L1131 VanDerWaalsContact O-N 3.11Å; L1128-S1132 WeakPolarHBondContact O-CB 3.37Å; L1128-S1132 PolarHBondContact O-N 3.47Å; L1128-N1396 HydrophobicContact CD2-CB 4.27Å; L1128-M1434 HydrophobicContact CD2-CE 3.79Å; L1128-M1434 HydrophobicContact CD2-CG 3.92Å; L1128-M1434 HydrophobicContact CD2-SD 3.74Å; L1128-M1434 HydrophobicContact CG-CG 3.83Å; L1128-M1434 HydrophobicContact CG-SD 3.95Å; L1128-H1438 HydrophobicContact CD1-CB 3.99Å
1129S87.8Confident75.5Confident63 Ų6355.4 Ų55.444%0.44132%0.316SS..Hα-helixtrans-65.6-31.3177.265.80000112.8V1125 T1126 R1133V1125-S1129 PolarHBondContact O-N 3.23Å; V1125-S1129 PolarHBondContact O-OG 3.18Å; T1126-S1129 WeakPolarHBondContact CA-OG 3.12Å; T1126-S1129 PolarHBondContact O-OG 3.03Å; S1129-R1133 WeakPolarHBondContact O-CB 3.43Å; S1129-R1133 PolarHBondContact O-N 2.93Å; S1129-R1133 VanDerWaalsContact O-N 3.16Å
1130M91.9Very high77.5Confident95 Ų9552.4 Ų52.447%0.46830%0.295SS..Hα-helixtrans-69.7-38.9170.8-70.8175.785.500112T1126 L1127 L1128 R1133 A1134 P1210T1126-M1130 HydrophobicContact CG2-SD 4.44Å; T1126-M1130 WeakPolarHBondContact O-CG 3.34Å; T1126-M1130 PolarHBondContact O-N 3.02Å; T1126-M1130 VanDerWaalsContact O-N 3.11Å; L1127-M1130 PolarHBondContact O-N 3.11Å; L1128-M1130 VanDerWaalsContact C-N 3.29Å; L1128-M1130 PolarHBondContact O-N 3.26Å; M1130-R1133 PolarHBondContact O-N 3.49Å; M1130-A1134 WeakPolarHBondContact O-CB 3.41Å; M1130-A1134 PolarHBondContact O-N 3.47Å; M1130-P1210 HydrophobicContact CB-CG 3.55Å; M1130-P1210 HydrophobicContact CE-CB 3.96Å; M1130-P1210 HydrophobicContact CE-CG 3.84Å; M1130-P1210 HydrophobicContact CG-CG 4.39Å; M1130-P1210 HydrophobicContact SD-CB 4.29Å; M1130-P1210 HydrophobicContact SD-CG 4.09Å
1131L94.9Very high78.5Confident0 Ų056.3 Ų56.30%030%0.297CS..Hα-helixtrans-72.3-37.2177.4-73.8176.5000113.4L1127 L1128 A1134 Y1135 V1209 W1399 A1403 F1431 M1434L1127-L1131 WeakPolarHBondContact O-CG 3.34Å; L1127-L1131 PolarHBondContact O-N 3.13Å; L1128-L1131 PolarHBondContact O-N 3.26Å; L1128-L1131 VanDerWaalsContact O-N 3.11Å; L1131-A1134 PolarHBondContact O-N 3.4Å; L1131-Y1135 VanDerWaalsContact O-CB 3.29Å; L1131-Y1135 WeakPolarHBondContact O-CB 3.49Å; L1131-Y1135 PolarHBondContact O-N 3.41Å; L1131-V1209 HydrophobicContact CD2-CG1 4.23Å; L1131-V1209 HydrophobicContact CD2-CG2 4.18Å; L1131-W1399 HydrophobicContact CB-CB 4.16Å; L1131-A1403 HydrophobicContact CD1-CB 3.79Å; L1131-A1403 HydrophobicContact CD2-CB 3.73Å; L1131-A1403 HydrophobicContact CG-CB 4.43Å; L1131-F1431 HydrophobicContact CD1-CD1 4.09Å; L1131-F1431 HydrophobicContact CD1-CE1 4.07Å; L1131-F1431 HydrophobicContact CD2-CE1 4.42Å; L1131-M1434 HydrophobicContact CD1-CE 3.52Å; L1131-M1434 HydrophobicContact CD1-SD 3.64Å
1132S92.1Very high79.1Confident20 Ų2056.9 Ų56.914%0.1430%0.296CS..Hα-helixtrans-49.9-58.3165.3142.30000109.6L1128 A1134 Y1135 E1136 W1399L1128-S1132 WeakPolarHBondContact O-CB 3.37Å; L1128-S1132 PolarHBondContact O-N 3.47Å; S1132-A1134 VanDerWaalsContact C-N 3.32Å; S1132-A1134 PolarHBondContact O-N 2.97Å; S1132-Y1135 PolarHBondContact O-N 3.09Å; S1132-Y1135 VanDerWaalsContact O-N 3.1Å; S1132-E1136 WeakPolarHBondContact O-CB 3.33Å; S1132-E1136 VanDerWaalsContact O-CG 3.27Å; S1132-E1136 WeakPolarHBondContact O-CG 3.48Å; S1132-E1136 PolarHBondContact O-N 3.11Å; S1132-E1136 PolarHBondContact OG-OE1 2.98Å; S1132-W1399 VanDerWaalsContact CB-CE3 3.46Å; S1132-W1399 VanDerWaalsContact CB-CZ3 3.49Å
1133R90.7Very high78.1Confident116 Ų11658.8 Ų58.844%0.43830%0.302SS..Hα-helixtrans-62.8-38.2-176.5-167.270-152.110813.5112.7S1129 M1130 E1136 M1137S1129-R1133 WeakPolarHBondContact O-CB 3.43Å; S1129-R1133 PolarHBondContact O-N 2.93Å; S1129-R1133 VanDerWaalsContact O-N 3.16Å; M1130-R1133 PolarHBondContact O-N 3.49Å; R1133-E1136 IonicContact NH1-OE2 2.77Å; R1133-E1136 PolarHBondContact NH1-OE2 2.97Å; R1133-E1136 VanDerWaalsContact NH1-OE2 3.09Å; R1133-M1137 HydrophobicContact CG-SD 4.31Å; R1133-M1137 WeakPolarHBondContact O-CB 3.39Å; R1133-M1137 WeakPolarHBondContact O-CG 3.09Å; R1133-M1137 PolarHBondContact O-N 2.95Å; R1133-M1137 VanDerWaalsContact O-N 3.11Å
1134A93.4Very high76.4Confident3 Ų360.6 Ų60.63%0.02531%0.312CS..Hα-helixtrans-64.3-43.3174.100000112.1M1130 L1131 S1132 M1137 Y1205 L1208M1130-A1134 WeakPolarHBondContact O-CB 3.41Å; M1130-A1134 PolarHBondContact O-N 3.47Å; L1131-A1134 PolarHBondContact O-N 3.4Å; S1132-A1134 VanDerWaalsContact C-N 3.32Å; S1132-A1134 PolarHBondContact O-N 2.97Å; A1134-M1137 PolarHBondContact O-N 3.16Å; A1134-Y1205 HydrophobicContact CB-CD2 4.47Å; A1134-Y1205 HydrophobicContact CB-CE2 4.27Å; A1134-L1208 HydrophobicContact CB-CB 3.68Å
1135Y92.7Very high74.5Confident22 Ų2264.3 Ų64.39%0.08634%0.335CS..Hα-helixtrans-67.3-39.9179.4-165-81.5000112.1L1131 S1132 M1137 V1138 Y1205 R1235 I1398 W1399 A1402L1131-Y1135 VanDerWaalsContact O-CB 3.29Å; L1131-Y1135 WeakPolarHBondContact O-CB 3.49Å; L1131-Y1135 PolarHBondContact O-N 3.41Å; S1132-Y1135 PolarHBondContact O-N 3.09Å; S1132-Y1135 VanDerWaalsContact O-N 3.1Å; Y1135-M1137 VanDerWaalsContact C-N 3.31Å; Y1135-M1137 PolarHBondContact O-N 2.82Å; Y1135-V1138 VanDerWaalsContact O-O 3.06Å; Y1135-Y1205 HydrophobicContact CD2-CE2 4.13Å; Y1135-R1235 HydrophobicContact CE2-CG 3.94Å; Y1135-I1398 HydrophobicContact CE2-CG2 4.11Å; Y1135-W1399 AromaticContact CD1-CD1 3.67Å; Y1135-W1399 AromaticContact CD1-NE1 3.73Å; Y1135-W1399 AromaticContact CD2-CD1 3.84Å; Y1135-W1399 AromaticContact CG-CD1 3.41Å; Y1135-W1399 VanDerWaalsContact CG-CD1 3.41Å; Y1135-W1399 HydrophobicContact CG-CG 4.47Å; Y1135-W1399 AromaticContact CG-NE1 3.91Å; Y1135-A1402 HydrophobicContact CD2-CB 3.96Å; Y1135-A1402 HydrophobicContact CE2-CB 3.86Å
1136E87.9Confident72.3Confident86 Ų8666.2 Ų66.240%0.40234%0.341SS..THydrogen-bonded Turntrans-75.5-10175.7-67.9162.6-157.700114.9S1132 R1133S1132-E1136 WeakPolarHBondContact O-CB 3.33Å; S1132-E1136 VanDerWaalsContact O-CG 3.27Å; S1132-E1136 WeakPolarHBondContact O-CG 3.48Å; S1132-E1136 PolarHBondContact O-N 3.11Å; S1132-E1136 PolarHBondContact OG-OE1 2.98Å; R1133-E1136 IonicContact NH1-OE2 2.77Å; R1133-E1136 PolarHBondContact NH1-OE2 2.97Å; R1133-E1136 VanDerWaalsContact NH1-OE2 3.09Å
1137M85.6Confident69.6Low88 Ų8867.3 Ų67.343%0.43335%0.347SS..THydrogen-bonded Turntrans-88-16.5179-90.4-176.461.900113.6R1133 A1134 Y1135 L1208R1133-M1137 HydrophobicContact CG-SD 4.31Å; R1133-M1137 WeakPolarHBondContact O-CB 3.39Å; R1133-M1137 WeakPolarHBondContact O-CG 3.09Å; R1133-M1137 PolarHBondContact O-N 2.95Å; R1133-M1137 VanDerWaalsContact O-N 3.11Å; A1134-M1137 PolarHBondContact O-N 3.16Å; Y1135-M1137 VanDerWaalsContact C-N 3.31Å; Y1135-M1137 PolarHBondContact O-N 2.82Å; M1137-L1208 HydrophobicContact CB-CD1 3.69Å; M1137-L1208 HydrophobicContact CE-CD1 3.84Å; M1137-L1208 HydrophobicContact CE-CD2 3.98Å; M1137-L1208 HydrophobicContact SD-CD1 4.24Å
1138V83.4Confident66.5Low5 Ų572.3 Ų72.33%0.0337%0.374CS..SBendtrans-129.5142.7-171.8174.50000109.4Y1135 E1201 H1204 L1208 R1235Y1135-V1138 VanDerWaalsContact O-O 3.06Å; V1138-E1201 HydrophobicContact CG1-CB 3.96Å; V1138-E1201 WeakPolarHBondContact CG1-O 3.47Å; V1138-H1204 HydrophobicContact CG2-CB 4.47Å; V1138-L1208 HydrophobicContact CG2-CD1 3.98Å; V1138-R1235 PolarHBondContact O-NH2 3.38Å
1139G74.5Confident63.4Low21 Ų2179.4 Ų79.422%0.21641%0.406CS..SBendtrans89.6162.9-172.400000112.7R1141 E1358G1139-R1141 PolarHBondContact O-N 2.96Å; G1139-E1358 VanDerWaalsContact CA-O 3.3Å; G1139-E1358 WeakPolarHBondContact CA-O 3.28Å; G1139-E1358 WeakPolarHBondContact CA-OE2 3.42Å
1140P68.9Low60.5Low43 Ų4382.2 Ų82.228%0.27942%0.417SS..SBendtrans-59130.617027.2-35.5000109.2I1142 V1356 F1357 E1358P1140-I1142 PolarHBondContact O-N 3.47Å; P1140-V1356 HydrophobicContact CB-CG1 4.42Å; P1140-V1356 HydrophobicContact CG-CG1 3.8Å; P1140-F1357 WeakPolarHBondContact CD-O 3.42Å; P1140-F1357 WeakPolarHBondContact CG-O 3.43Å; P1140-E1358 WeakPolarHBondContact CD-O 3.4Å
1141R55.9Low57.3Low195 Ų19584.5 Ų84.574%0.73643%0.431SS*.  trans-61.9133.9174.7-68.5-174-175.3172.84.7109.2G1139 H1143G1139-R1141 PolarHBondContact O-N 2.96Å; R1141-H1143 PolarHBondContact O-N 3.32Å
1142I49.6Very low54.1Low102 Ų10290.2 Ų90.252%0.52347%0.471SS..  trans-71.575.3166.1-49.5176.8000107.8P1140 M1242P1140-I1142 PolarHBondContact O-N 3.47Å; I1142-M1242 HydrophobicContact CD1-CG 4.27Å
1143H27.8Very low50.8Low135 Ų13597.6 Ų97.663%0.62550%0.501SS*.  trans-65.5133.6153.8-108.9-94.9000106.7R1141 V1145R1141-H1143 PolarHBondContact O-N 3.32Å; H1143-V1145 PolarHBondContact O-N 3.48Å
1144P28.1Very low47.8Very low81 Ų8198.5 Ų98.553%0.52651%0.513SS..  trans-59.7113.1158.427-31000105.8I1146P1144-I1146 PolarHBondContact O-N 2.94Å
1145V26.7Very low44.7Very low100 Ų100106.6 Ų106.661%0.60655%0.55SS*.  trans-76.477.4-178.8-1660000108H1143 V1147H1143-V1145 PolarHBondContact O-N 3.48Å; V1145-V1147 HydrophobicContact CG1-CG2 3.64Å; V1145-V1147 PolarHBondContact O-N 2.87Å
1146I24.6Very low41.5Very low127 Ų127109.8 Ų109.865%0.65158%0.576SS**  trans-64.589.4161.9-63177.8000105.6P1144 N1148P1144-I1146 PolarHBondContact O-N 2.94Å; I1146-N1148 HydrophobicContact CG2-CB 4.2Å; I1146-N1148 WeakPolarHBondContact CG2-OD1 3.43Å; I1146-N1148 PolarHBondContact O-N 2.78Å
1147V26.7Very low38.6Very low98 Ų98113.5 Ų113.559%0.59459%0.593SS**  trans-74.169.9168.5-171.50000107.7V1145 H1149V1145-V1147 HydrophobicContact CG1-CG2 3.64Å; V1145-V1147 PolarHBondContact O-N 2.87Å; V1147-H1149 HydrophobicContact CG1-CB 4.2Å; V1147-H1149 VanDerWaalsContact CG1-CD2 3.41Å; V1147-H1149 WeakPolarHBondContact CG1-CD2 3.44Å; V1147-H1149 PolarHBondContact O-N 3.29Å
1148N23Very low35.7Very low110 Ų110115.9 Ų115.959%0.58860%0.603SS**  trans-7370.4160.3-87.946.2000108.2I1146 D1150I1146-N1148 HydrophobicContact CG2-CB 4.2Å; I1146-N1148 WeakPolarHBondContact CG2-OD1 3.43Å; I1146-N1148 PolarHBondContact O-N 2.78Å; N1148-D1150 PolarHBondContact ND2-OD2 3.03Å; N1148-D1150 PolarHBondContact O-N 2.68Å; N1148-D1150 VanDerWaalsContact O-N 3.1Å
1149H25.8Very low32.9Very low157 Ų157121.8 Ų121.873%0.72764%0.643SS**  trans-78.461.5152.4-82.3-45.8000108.7V1147 N1151V1147-H1149 HydrophobicContact CG1-CB 4.2Å; V1147-H1149 VanDerWaalsContact CG1-CD2 3.41Å; V1147-H1149 WeakPolarHBondContact CG1-CD2 3.44Å; V1147-H1149 PolarHBondContact O-N 3.29Å; H1149-N1151 PolarHBondContact O-N 3.3Å
1150D27.3Very low30.4Very low122 Ų122125.3 Ų125.365%0.65266%0.664SS**  trans-64.8123.7160.2-74.5-53.8000107.6N1148 S1152N1148-D1150 PolarHBondContact ND2-OD2 3.03Å; N1148-D1150 PolarHBondContact O-N 2.68Å; N1148-D1150 VanDerWaalsContact O-N 3.1Å; D1150-S1152 PolarHBondContact O-N 2.84Å
1151N24.9Very low28.5Very low144 Ų144132.8 Ų132.877%0.7769%0.692SS**  trans-76.7113.5-166.3-76.8-77.5000112.2H1149H1149-N1151 PolarHBondContact O-N 3.3Å
1152S26.8Very low27Very low120 Ų120131.3 Ų131.384%0.83969%0.691SS**  trans-117.570.2157.842.60000111D1150D1150-S1152 PolarHBondContact O-N 2.84Å
1153F23.8Very low26.1Very low174 Ų174135.9 Ų135.976%0.76371%0.71SS**  trans-35.9139147.4-104.8-134.3000110.1
1154I26.3Very low25.9Very low136 Ų136135.3 Ų135.370%0.69771%0.712SS**  cis-162.9137.541.6-99.1139.7000112
1155Q28.9Very low25.8Very low172 Ų172138.4 Ų138.480%0.80473%0.729SS**  trans153.493.1142.3-91.5173.6-1.500109.2
1156S25.1Very low25.9Very low89 Ų89138.8 Ų138.862%0.62274%0.735SS**  68122.584.672.90000112.9
1157H27.3Very low25.8Very low165 Ų165140.8 Ų140.876%0.76475%0.748SS**  cis-143.1165.612.2-81.9-91.8000109.4
1158E24.8Very low25.8Very low137 Ų137139.4 Ų139.464%0.6475%0.753SS**  cis-175.4154.6-19.9173.8-179.8135.600108.2
1159C24.4Very low26Very low130 Ų130143.7 Ų143.788%0.87877%0.77SS**  trans-148.471.1159.3-174.20000112.3
1160S21.6Very low26Very low94 Ų94142.7 Ų142.766%0.65777%0.774SS**  trans-113.881.6177.2-71.10000112.6
1161K29.4Very low26.1Very low200 Ų200140.1 Ų140.187%0.8778%0.777SS**  trans-124.491.9164.4-74.7-173.1179.7175.60111.9
1162K25Very low26.1Very low165 Ų165140.2 Ų140.272%0.71778%0.778SS**  trans20.2123.5142.6-56.7-174.3175.1-1630117.8
1163H29.2Very low26.1Very low197 Ų197138.9 Ų138.991%0.91277%0.768SS**  -115.5127.8125.4-100-92000107.8
1164D25.4Very low26.4Very low124 Ų124139 Ų13966%0.66378%0.776SS**  trans-76.7142.9-176-64.6-71.9000111.4
1165V25.2Very low26.4Very low146 Ų146141.8 Ų141.889%0.88579%0.786SS**  trans-91.4106.2173.1177.30000108.8
1166S27.7Very low26.3Very low107 Ų107139.4 Ų139.475%0.74878%0.783SS**  trans-122.5125.6169.858.40000110.4
1167N23.3Very low26.3Very low170 Ų170138.9 Ų138.991%0.90978%0.78SS**  trans-53.8136.9-172.6-51.7-49.6000113.3
1168G26.6Very low26.7Very low69 Ų69136.6 Ų136.671%0.71178%0.779SS**  trans-165.679.9-179.500000114.1
1169E28.3Very low27Very low199 Ų199136 Ų13693%0.9378%0.781SS**  trans63.3157.6160.5-56.8-169.3143.500119.8
1170V25.9Very low27.4Very low136 Ų136138 Ų13882%0.82478%0.783SS**  trans-107.7130.8-174172.80000109.2
1171G28.3Very low29Very low69 Ų69137.1 Ų137.171%0.71177%0.773SS**  trans-141.185.5177.100000112.3S1173G1171-S1173 PolarHBondContact O-N 3.07Å
1172D25.5Very low30.8Very low146 Ų146135.7 Ų135.778%0.78177%0.77SS**  trans-68.195.8170.7-89.9-49.5000110.1
1173S25.9Very low33.6Very low92 Ų92132.4 Ų132.464%0.64376%0.759SS**  trans-155.850.9179.5-74.20000113.5G1171 Q1175G1171-S1173 PolarHBondContact O-N 3.07Å; S1173-Q1175 VanDerWaalsContact C-N 3.31Å; S1173-Q1175 PolarHBondContact O-N 3.33Å
1174L30Very low36.3Very low176 Ų176125.7 Ų125.792%0.92173%0.73SS**  trans-95.751.4164.3-114.481.4000112.5
1175Q26.7Very low39.2Very low194 Ų194126.4 Ų126.491%0.90773%0.729SS**  trans-128.583159-78.4-169.5-18.600108.3S1173S1173-Q1175 VanDerWaalsContact C-N 3.31Å; S1173-Q1175 PolarHBondContact O-N 3.33Å
1176T26.5Very low42.3Very low123 Ų123126.4 Ų126.476%0.75572%0.719SS**  trans-124.9153.2177.146.20000111.3
1177S25.7Very low45.4Very low78 Ų78124.3 Ų124.355%0.54570%0.696SS.*  trans-51.7147.1-177.2-167.90000113.6D1179S1177-D1179 PolarHBondContact OG-N 3.15Å; S1177-D1179 VanDerWaalsContact OG-N 3.13Å
1178P35.5Very low48.6Very low117 Ų117116.4 Ų116.476%0.7665%0.653SS**SBendtrans-75.1-8.9164.933.3-35.7000113.6
1179D30.7Very low51.5Low125 Ų125116.2 Ų116.267%0.66864%0.638SS**SBendtrans-80.2153.1173.4-64-53.1000112S1177S1177-D1179 PolarHBondContact OG-N 3.15Å; S1177-D1179 VanDerWaalsContact OG-N 3.13Å
1180D34Very low54.6Low171 Ų171109.9 Ų109.991%0.91461%0.608SS**  trans64.537.3178.8-64.5-19.5000117.7
1181T54.2Low57.9Low75 Ų75103.4 Ų103.446%0.4657%0.569SS.*  trans-81.4110.9151.741.60000110.6I1183T1181-I1183 PolarHBondContact O-N 3.48Å
1182Q68.3Low60.8Low171 Ų171100.3 Ų100.380%0.79954%0.536SS*.  trans-55.7125.3168.3-88.9-176.2-30.500110.3
1183I82.3Confident64Low96 Ų9695.7 Ų95.749%0.49252%0.515SS..  trans-71.3133.5171.6-60.4174.9000108.2T1181 T1188 K1370T1181-I1183 PolarHBondContact O-N 3.48Å; I1183-T1188 WeakPolarHBondContact CG2-OG1 3.19Å; I1183-K1370 WeakPolarHBondContact CA-O 3.46Å
1184D87.2Confident67.2Low56 Ų5691.4 Ų91.430%0.29949%0.485SS..  trans-102.9112.8-176.4-175.5-36.5000110.1Q1186 Y1187 T1188 K1370D1184-Q1186 PolarHBondContact O-N 3.11Å; D1184-Q1186 VanDerWaalsContact OD1-CB 3.31Å; D1184-Q1186 WeakPolarHBondContact OD1-CB 3.4Å; D1184-Q1186 PolarHBondContact OD1-N 3.35Å; D1184-Y1187 HydrophobicContact CB-CD2 3.78Å; D1184-Y1187 VanDerWaalsContact CG-CD2 3.43Å; D1184-Y1187 PolarHBondContact O-N 3.01Å; D1184-Y1187 PolarHBondContact OD1-N 2.9Å; D1184-Y1187 WeakPolarHBondContact OD2-CD2 3.41Å; D1184-Y1187 WeakPolarHBondContact OD2-CE2 3.39Å; D1184-T1188 WeakPolarHBondContact O-CB 3.45Å; D1184-T1188 PolarHBondContact O-N 3.22Å; D1184-T1188 PolarHBondContact O-OG1 3.42Å; D1184-T1188 VanDerWaalsContact O-OG1 3.04Å; D1184-K1370 HydrophobicContact CB-CB 4.28Å; D1184-K1370 PolarHBondContact N-O 2.95Å
1185E85.6Confident70.2Confident139 Ų13983 Ų8365%0.6544%0.441SS*.Hα-helixtrans-57.6-29.7-177.5-168.7177-176.700113T1189E1185-T1189 WeakPolarHBondContact O-CB 3.48Å; E1185-T1189 PolarHBondContact O-N 3.07Å; E1185-T1189 PolarHBondContact O-OG1 2.9Å
1186Q89.8Confident73.3Confident145 Ų14578 Ų7868%0.67842%0.418SS*.Hα-helixtrans-70.4-47.8177.9-175.2-179.2-14.300111.1D1184 T1188 T1189 K1190D1184-Q1186 PolarHBondContact O-N 3.11Å; D1184-Q1186 VanDerWaalsContact OD1-CB 3.31Å; D1184-Q1186 WeakPolarHBondContact OD1-CB 3.4Å; D1184-Q1186 PolarHBondContact OD1-N 3.35Å; Q1186-T1188 VanDerWaalsContact C-N 3.33Å; Q1186-T1189 PolarHBondContact O-N 3.16Å; Q1186-K1190 WeakPolarHBondContact O-CB 3.47Å; Q1186-K1190 PolarHBondContact O-N 2.97Å
1187Y92.2Very high76.3Confident64 Ų6475.7 Ų75.725%0.25140%0.398SS..Hα-helixtrans-69-33.6176.3-66-64.9000111.8D1184 K1190 F1191 E1367 K1370D1184-Y1187 HydrophobicContact CB-CD2 3.78Å; D1184-Y1187 VanDerWaalsContact CG-CD2 3.43Å; D1184-Y1187 PolarHBondContact O-N 3.01Å; D1184-Y1187 PolarHBondContact OD1-N 2.9Å; D1184-Y1187 WeakPolarHBondContact OD2-CD2 3.41Å; D1184-Y1187 WeakPolarHBondContact OD2-CE2 3.39Å; Y1187-K1190 WeakPolarHBondContact O-CB 3.2Å; Y1187-K1190 PolarHBondContact O-N 3.25Å; Y1187-F1191 PolarHBondContact O-N 2.96Å; Y1187-E1367 HydrophobicContact CD1-CB 3.82Å; Y1187-E1367 HydrophobicContact CD1-CG 3.66Å; Y1187-E1367 HydrophobicContact CE1-CB 4.24Å; Y1187-E1367 HydrophobicContact CE1-CG 3.55Å; Y1187-E1367 WeakPolarHBondContact CE1-OE1 3.49Å; Y1187-E1367 HydrophobicContact CG-CB 4.4Å; Y1187-K1370 HydrophobicContact CD2-CB 3.84Å; Y1187-K1370 HydrophobicContact CE2-CB 4.5Å; Y1187-K1370 HydrophobicContact CG-CB 4.41Å
1188T90.4Very high79.6Confident3 Ų372 Ų722%0.01837%0.372CS..Hα-helixtrans-62.7-47.5173.6-64.80000111.7I1183 D1184 Q1186 K1190 F1191 C1192 S1371 L1526I1183-T1188 WeakPolarHBondContact CG2-OG1 3.19Å; D1184-T1188 WeakPolarHBondContact O-CB 3.45Å; D1184-T1188 PolarHBondContact O-N 3.22Å; D1184-T1188 PolarHBondContact O-OG1 3.42Å; D1184-T1188 VanDerWaalsContact O-OG1 3.04Å; Q1186-T1188 VanDerWaalsContact C-N 3.33Å; T1188-K1190 PolarHBondContact O-N 3.48Å; T1188-F1191 WeakPolarHBondContact O-CB 3.1Å; T1188-F1191 PolarHBondContact O-N 2.94Å; T1188-C1192 PolarHBondContact O-N 2.93Å; T1188-S1371 WeakPolarHBondContact OG1-CA 3.32Å; T1188-S1371 PolarHBondContact OG1-O 3.38Å; T1188-L1526 HydrophobicContact CG2-CD1 3.6Å; T1188-L1526 HydrophobicContact CG2-CD2 3.33Å; T1188-L1526 HydrophobicContact CG2-CG 4.1Å
1189T89.1Confident82.2Confident65 Ų6568.5 Ų68.540%0.39935%0.347SS..Hα-helixtrans-65.3-39.2175.9-53.80000111.4E1185 Q1186 F1191 C1192 S1193E1185-T1189 WeakPolarHBondContact O-CB 3.48Å; E1185-T1189 PolarHBondContact O-N 3.07Å; E1185-T1189 PolarHBondContact O-OG1 2.9Å; Q1186-T1189 PolarHBondContact O-N 3.16Å; T1189-F1191 PolarHBondContact O-N 2.99Å; T1189-C1192 PolarHBondContact O-N 3.29Å; T1189-S1193 PolarHBondContact O-N 2.94Å
1190K93.7Very high85Confident67 Ų6767.3 Ų67.329%0.29134%0.34SS..Hα-helixtrans-55.5-50.5171.3179.8-177.6172.4-173.30110.5Q1186 Y1187 T1188 C1192 S1193 I1194 S1362 M1363 E1367Q1186-K1190 WeakPolarHBondContact O-CB 3.47Å; Q1186-K1190 PolarHBondContact O-N 2.97Å; Y1187-K1190 WeakPolarHBondContact O-CB 3.2Å; Y1187-K1190 PolarHBondContact O-N 3.25Å; T1188-K1190 PolarHBondContact O-N 3.48Å; K1190-C1192 PolarHBondContact O-N 3.33Å; K1190-S1193 PolarHBondContact O-N 3.41Å; K1190-S1193 PolarHBondContact O-OG 2.89Å; K1190-I1194 HydrophobicContact CD-CD1 4.38Å; K1190-I1194 HydrophobicContact CG-CD1 3.77Å; K1190-I1194 WeakPolarHBondContact O-CG1 3.27Å; K1190-I1194 PolarHBondContact O-N 2.88Å; K1190-I1194 VanDerWaalsContact O-N 3.1Å; K1190-S1362 WeakPolarHBondContact CE-O 3.45Å; K1190-S1362 PolarHBondContact NZ-O 3.15Å; K1190-M1363 HydrophobicContact CD-CE 4.43Å; K1190-M1363 HydrophobicContact CD-CG 4.22Å; K1190-M1363 HydrophobicContact CD-SD 4.48Å; K1190-M1363 HydrophobicContact CG-SD 4.34Å; K1190-E1367 IonicContact NZ-OE1 2.73Å; K1190-E1367 PolarHBondContact NZ-OE1 3.17Å; K1190-E1367 IonicContact NZ-OE2 2.66Å; K1190-E1367 PolarHBondContact NZ-OE2 3.38Å
1191F93.8Very high87.8Confident0 Ų062.6 Ų62.60%031%0.312CS..Hα-helixtrans-58-47.9178.7179.6-97.6000112.3Y1187 T1188 T1189 S1193 I1194 L1195 F1357 M1363 L1368 F1373 W1376 L1519 L1523Y1187-F1191 PolarHBondContact O-N 2.96Å; T1188-F1191 WeakPolarHBondContact O-CB 3.1Å; T1188-F1191 PolarHBondContact O-N 2.94Å; T1189-F1191 PolarHBondContact O-N 2.99Å; F1191-S1193 PolarHBondContact O-N 3.32Å; F1191-I1194 PolarHBondContact O-N 3.1Å; F1191-L1195 HydrophobicContact CE1-CD2 3.88Å; F1191-L1195 HydrophobicContact CZ-CD2 4.38Å; F1191-L1195 WeakPolarHBondContact O-CB 3.37Å; F1191-L1195 PolarHBondContact O-N 3.16Å; F1191-F1357 HydrophobicContact CD2-CZ 4.18Å; F1191-F1357 AromaticContact CE2-CE1 3.96Å; F1191-F1357 HydrophobicContact CE2-CE1 3.96Å; F1191-F1357 AromaticContact CE2-CZ 3.84Å; F1191-F1357 HydrophobicContact CE2-CZ 3.84Å; F1191-M1363 HydrophobicContact CB-CE 4.06Å; F1191-M1363 HydrophobicContact CB-SD 3.82Å; F1191-M1363 HydrophobicContact CD2-SD 3.9Å; F1191-M1363 HydrophobicContact CG-SD 4.37Å; F1191-L1368 HydrophobicContact CD2-CD2 3.61Å; F1191-L1368 HydrophobicContact CE2-CD2 3.9Å; F1191-F1373 HydrophobicContact CB-CE2 4.41Å; F1191-F1373 HydrophobicContact CD1-CD1 4.38Å; F1191-F1373 AromaticContact CD1-CD2 3.75Å; F1191-F1373 HydrophobicContact CD1-CD2 3.75Å; F1191-F1373 AromaticContact CD1-CE1 3.98Å; F1191-F1373 HydrophobicContact CD1-CE1 3.98Å; F1191-F1373 AromaticContact CD1-CE2 3.3Å; F1191-F1373 HydrophobicContact CD1-CE2 3.3Å; F1191-F1373 HydrophobicContact CD1-CG 4.28Å; F1191-F1373 AromaticContact CD1-CZ 3.44Å; F1191-F1373 HydrophobicContact CD1-CZ 3.44Å; F1191-F1373 VanDerWaalsContact CD1-CZ 3.44Å; F1191-F1373 HydrophobicContact CD2-CD2 4.34Å; F1191-F1373 AromaticContact CE1-CD1 3.77Å; F1191-F1373 HydrophobicContact CE1-CD1 3.77Å; F1191-F1373 AromaticContact CE1-CD2 3.99Å; F1191-F1373 HydrophobicContact CE1-CD2 3.99Å; F1191-F1373 AromaticContact CE1-CE1 3.36Å; F1191-F1373 HydrophobicContact CE1-CE1 3.36Å; F1191-F1373 AromaticContact CE1-CE2 3.63Å; F1191-F1373 HydrophobicContact CE1-CE2 3.63Å; F1191-F1373 HydrophobicContact CE1-CG 4.07Å; F1191-F1373 AromaticContact CE1-CZ 3.3Å; F1191-F1373 HydrophobicContact CE1-CZ 3.3Å; F1191-F1373 HydrophobicContact CE2-CD1 4.48Å; F1191-F1373 HydrophobicContact CE2-CG 4.34Å; F1191-F1373 AromaticContact CG-CD2 3.93Å; F1191-F1373 HydrophobicContact CG-CD2 3.93Å; F1191-F1373 AromaticContact CG-CE2 3.9Å; F1191-F1373 HydrophobicContact CG-CE2 3.9Å; F1191-F1373 HydrophobicContact CG-CZ 4.42Å; F1191-F1373 AromaticContact CZ-CD1 3.83Å; F1191-F1373 HydrophobicContact CZ-CD1 3.83Å; F1191-F1373 HydrophobicContact CZ-CD2 4.38Å; F1191-F1373 AromaticContact CZ-CE1 3.87Å; F1191-F1373 HydrophobicContact CZ-CE1 3.87Å; F1191-F1373 HydrophobicContact CZ-CE2 4.44Å; F1191-F1373 HydrophobicContact CZ-CG 4.09Å; F1191-F1373 HydrophobicContact CZ-CZ 4.2Å; F1191-W1376 HydrophobicContact CE2-CH2 4.31Å; F1191-W1376 AromaticContact CE2-CZ3 3.84Å; F1191-W1376 HydrophobicContact CE2-CZ3 3.84Å; F1191-W1376 HydrophobicContact CZ-CH2 4.43Å; F1191-W1376 HydrophobicContact CZ-CZ3 4.14Å; F1191-L1519 HydrophobicContact CZ-CD1 4.4Å; F1191-L1523 HydrophobicContact CE1-CD2 4.21Å
1192C90.4Very high89.6Confident3 Ų359 Ų592%0.0229%0.291CS..Hα-helixtrans-58.9-45.1178.3-70.10000112.8T1188 T1189 K1190 I1194 L1195 E1196 L1526 Y1534T1188-C1192 PolarHBondContact O-N 2.93Å; T1189-C1192 PolarHBondContact O-N 3.29Å; K1190-C1192 PolarHBondContact O-N 3.33Å; C1192-I1194 VanDerWaalsContact C-N 3.29Å; C1192-I1194 PolarHBondContact O-N 3.01Å; C1192-L1195 PolarHBondContact O-N 2.96Å; C1192-E1196 PolarHBondContact O-N 3.1Å; C1192-L1526 WeakPolarHBondContact SG-CD1 3.2Å; C1192-Y1534 HydrophobicContact CB-CD1 4.22Å; C1192-Y1534 HydrophobicContact CB-CE1 3.49Å; C1192-Y1534 VanDerWaalsContact CB-CE1 3.49Å
1193S91.4Very high90.9Very high49 Ų4956 Ų5634%0.34328%0.275SS..Hα-helixtrans-62.9-35.5177.571.80000112.9T1189 K1190 F1191 E1197T1189-S1193 PolarHBondContact O-N 2.94Å; K1190-S1193 PolarHBondContact O-N 3.41Å; K1190-S1193 PolarHBondContact O-OG 2.89Å; F1191-S1193 PolarHBondContact O-N 3.32Å; S1193-E1197 WeakPolarHBondContact O-CG 3.34Å; S1193-E1197 PolarHBondContact O-N 3.41Å
1194I94.3Very high91.4Very high2 Ų255 Ų551%0.0127%0.268CS..Hα-helixtrans-72-36.6176.5-69.4172.6000111K1190 F1191 C1192 S1198 F1357 N1359 K1361 M1363K1190-I1194 HydrophobicContact CD-CD1 4.38Å; K1190-I1194 HydrophobicContact CG-CD1 3.77Å; K1190-I1194 WeakPolarHBondContact O-CG1 3.27Å; K1190-I1194 PolarHBondContact O-N 2.88Å; K1190-I1194 VanDerWaalsContact O-N 3.1Å; F1191-I1194 PolarHBondContact O-N 3.1Å; C1192-I1194 VanDerWaalsContact C-N 3.29Å; C1192-I1194 PolarHBondContact O-N 3.01Å; I1194-S1198 VanDerWaalsContact O-CB 3.28Å; I1194-S1198 WeakPolarHBondContact O-CB 3.39Å; I1194-S1198 PolarHBondContact O-N 3.01Å; I1194-S1198 PolarHBondContact O-OG 2.73Å; I1194-F1357 HydrophobicContact CG2-CB 3.47Å; I1194-F1357 VanDerWaalsContact CG2-CB 3.47Å; I1194-F1357 HydrophobicContact CG2-CD1 3.62Å; I1194-F1357 HydrophobicContact CG2-CD2 3.57Å; I1194-F1357 HydrophobicContact CG2-CE1 4.22Å; I1194-F1357 HydrophobicContact CG2-CE2 4.2Å; I1194-F1357 HydrophobicContact CG2-CG 3.26Å; I1194-F1357 HydrophobicContact CG2-CZ 4.49Å; I1194-N1359 PolarHBondContact O-ND2 3.1Å; I1194-K1361 HydrophobicContact CD1-CB 4Å; I1194-K1361 HydrophobicContact CG1-CB 3.92Å; I1194-K1361 HydrophobicContact CG1-CD 3.84Å; I1194-K1361 HydrophobicContact CG2-CB 4.43Å; I1194-M1363 HydrophobicContact CD1-CG 3.79Å; I1194-M1363 HydrophobicContact CD1-SD 3.98Å
1195L93Very high91.8Very high0 Ų052.3 Ų52.30%025%0.253CS..Hα-helixtrans-68-45.4178.5-174.462.7000111.7F1191 C1192 S1198 M1199 F1228 L1229 L1232 L1523 W1536F1191-L1195 HydrophobicContact CE1-CD2 3.88Å; F1191-L1195 HydrophobicContact CZ-CD2 4.38Å; F1191-L1195 WeakPolarHBondContact O-CB 3.37Å; F1191-L1195 PolarHBondContact O-N 3.16Å; C1192-L1195 PolarHBondContact O-N 2.96Å; L1195-S1198 CarbonylContact O-C 3.59Å; L1195-S1198 WeakPolarHBondContact O-CB 3.19Å; L1195-S1198 PolarHBondContact O-N 3.22Å; L1195-M1199 PolarHBondContact O-N 3.28Å; L1195-F1228 HydrophobicContact CD1-CE1 3.8Å; L1195-F1228 HydrophobicContact CD1-CZ 3.89Å; L1195-F1228 HydrophobicContact CG-CE1 4.32Å; L1195-L1229 HydrophobicContact CD1-CD2 4.02Å; L1195-L1232 HydrophobicContact CD1-CD2 3.22Å; L1195-L1523 HydrophobicContact CD2-CD1 4.5Å; L1195-L1523 HydrophobicContact CD2-CD2 3.69Å; L1195-W1536 HydrophobicContact CB-CH2 4.4Å; L1195-W1536 HydrophobicContact CD2-CH2 3.87Å; L1195-W1536 HydrophobicContact CG-CH2 3.92Å
1196E90.7Very high92.3Very high90 Ų9045.7 Ų45.742%0.42122%0.222SC..Hα-helixtrans-65.3-43.7178.9-167.1177.9146.700112.2C1192 S1198 M1199 N1200 W1536C1192-E1196 PolarHBondContact O-N 3.1Å; E1196-S1198 VanDerWaalsContact C-N 3.3Å; E1196-S1198 PolarHBondContact O-N 3.02Å; E1196-M1199 WeakPolarHBondContact O-CB 3.39Å; E1196-M1199 PolarHBondContact O-N 2.8Å; E1196-N1200 PolarHBondContact O-ND2 3.16Å; E1196-W1536 HydrophobicContact CB-CH2 4.39Å; E1196-W1536 HydrophobicContact CB-CZ2 3.71Å; E1196-W1536 HydrophobicContact CG-CZ2 4.08Å; E1196-W1536 PolarHBondContact OE2-NE1 2.94Å
1197E91.1Very high92.5Very high74 Ų7442.8 Ų42.835%0.34621%0.209SC..Hα-helixtrans-62.5-38.5171.8-73.5173.4-174.400111.6S1193 M1199 N1200 E1201 N1359 K1361S1193-E1197 WeakPolarHBondContact O-CG 3.34Å; S1193-E1197 PolarHBondContact O-N 3.41Å; E1197-M1199 VanDerWaalsContact C-N 3.28Å; E1197-M1199 PolarHBondContact O-N 3.3Å; E1197-N1200 PolarHBondContact O-N 3.46Å; E1197-N1200 VanDerWaalsContact O-N 3.16Å; E1197-E1201 PolarHBondContact O-N 2.99Å; E1197-N1359 HydrophobicContact CB-CB 3.9Å; E1197-N1359 WeakPolarHBondContact CB-ND2 3.4Å; E1197-N1359 PolarHBondContact OE2-ND2 3.3Å; E1197-K1361 IonicContact OE1-NZ 3.85Å; E1197-K1361 PolarHBondContact OE1-NZ 3.08Å; E1197-K1361 WeakPolarHBondContact OE2-CD 3.46Å; E1197-K1361 WeakPolarHBondContact OE2-CE 3.42Å; E1197-K1361 IonicContact OE2-NZ 3.86Å; E1197-K1361 PolarHBondContact OE2-NZ 3.21Å
1198S93.5Very high92.7Very high0 Ų042.2 Ų42.20%021%0.21CC..Hα-helixtrans-67.1-24.4176.5-62.20000113.5I1194 L1195 E1196 N1200 L1202 E1358I1194-S1198 VanDerWaalsContact O-CB 3.28Å; I1194-S1198 WeakPolarHBondContact O-CB 3.39Å; I1194-S1198 PolarHBondContact O-N 3.01Å; I1194-S1198 PolarHBondContact O-OG 2.73Å; L1195-S1198 CarbonylContact O-C 3.59Å; L1195-S1198 WeakPolarHBondContact O-CB 3.19Å; L1195-S1198 PolarHBondContact O-N 3.22Å; E1196-S1198 VanDerWaalsContact C-N 3.3Å; E1196-S1198 PolarHBondContact O-N 3.02Å; S1198-N1200 VanDerWaalsContact C-N 3.35Å; S1198-L1202 PolarHBondContact O-N 3.09Å; S1198-E1358 PolarHBondContact OG-N 3.05Å
1199M90.4Very high92.9Very high44 Ų4442.1 Ų42.122%0.21721%0.21CC..Hα-helixtrans-62.3-42.2170-73.2-175.172.300112L1195 E1196 E1197 L1202 K1203 F1228 W1536 I1540L1195-M1199 PolarHBondContact O-N 3.28Å; E1196-M1199 WeakPolarHBondContact O-CB 3.39Å; E1196-M1199 PolarHBondContact O-N 2.8Å; E1197-M1199 VanDerWaalsContact C-N 3.28Å; E1197-M1199 PolarHBondContact O-N 3.3Å; M1199-L1202 PolarHBondContact O-N 3.45Å; M1199-K1203 WeakPolarHBondContact O-CB 3.22Å; M1199-K1203 PolarHBondContact O-N 3.34Å; M1199-F1228 VanDerWaalsContact CA-CE2 3.44Å; M1199-F1228 HydrophobicContact CB-CE2 4.09Å; M1199-F1228 HydrophobicContact CB-CZ 4.09Å; M1199-F1228 HydrophobicContact CG-CD1 3.79Å; M1199-F1228 HydrophobicContact CG-CD2 4.06Å; M1199-F1228 HydrophobicContact CG-CE1 3.29Å; M1199-F1228 HydrophobicContact CG-CE2 3.61Å; M1199-F1228 HydrophobicContact CG-CG 4.16Å; M1199-F1228 HydrophobicContact CG-CZ 3.21Å; M1199-F1228 HydrophobicContact SD-CD1 4.4Å; M1199-F1228 HydrophobicContact SD-CE1 4.16Å; M1199-W1536 HydrophobicContact CE-CE3 4.46Å; M1199-W1536 HydrophobicContact SD-CD2 4.33Å; M1199-W1536 HydrophobicContact SD-CE3 3.47Å; M1199-W1536 HydrophobicContact SD-CH2 4.09Å; M1199-W1536 HydrophobicContact SD-CZ3 3.32Å; M1199-W1536 WeakPolarHBondContact SD-CZ3 3.33Å; M1199-I1540 HydrophobicContact CE-CD1 3.71Å; M1199-I1540 HydrophobicContact SD-CD1 4.01Å
1200N89.8Confident93.2Very high99 Ų9939.8 Ų39.853%0.52920%0.195SC..Hα-helixtrans-66.6-39.7-178-68.6-68000111.3E1196 E1197 S1198 H1204E1196-N1200 PolarHBondContact O-ND2 3.16Å; E1197-N1200 PolarHBondContact O-N 3.46Å; E1197-N1200 VanDerWaalsContact O-N 3.16Å; S1198-N1200 VanDerWaalsContact C-N 3.35Å; N1200-H1204 PolarHBondContact O-N 3.3Å; N1200-H1204 VanDerWaalsContact O-N 3.08Å
1201E92.2Very high93.1Very high72 Ų7237.8 Ų37.834%0.33619%0.194SC..Hα-helixtrans-63.4-50.7171.6-70.5-62.7143.800112.1V1138 E1197 K1203 H1204 Y1205 E1358V1138-E1201 HydrophobicContact CG1-CB 3.96Å; V1138-E1201 WeakPolarHBondContact CG1-O 3.47Å; E1197-E1201 PolarHBondContact O-N 2.99Å; E1201-K1203 VanDerWaalsContact C-N 3.28Å; E1201-K1203 PolarHBondContact O-N 3.04Å; E1201-H1204 WeakPolarHBondContact O-CA 3.35Å; E1201-H1204 WeakPolarHBondContact O-CB 3.21Å; E1201-H1204 PolarHBondContact O-N 3.49Å; E1201-Y1205 PolarHBondContact O-N 3.02Å; E1201-E1358 HydrophobicContact CB-CB 3.75Å; E1201-E1358 HydrophobicContact CG-CB 4.36Å
1202L93.5Very high93.2Very high1 Ų137.9 Ų37.91%0.00519%0.194CC..Hα-helixtrans-67.6-26.7179.6-67.1-166.8000113.8S1198 M1199 Y1205 A1206 F1228 L1231 L1232 E1358S1198-L1202 PolarHBondContact O-N 3.09Å; M1199-L1202 PolarHBondContact O-N 3.45Å; L1202-Y1205 PolarHBondContact O-N 3.32Å; L1202-A1206 PolarHBondContact O-N 3.21Å; L1202-F1228 HydrophobicContact CB-CD2 3.94Å; L1202-F1228 HydrophobicContact CB-CE2 4.02Å; L1202-F1228 HydrophobicContact CD1-CD2 3.78Å; L1202-F1228 HydrophobicContact CD1-CE2 3.64Å; L1202-F1228 HydrophobicContact CG-CD2 4.33Å; L1202-F1228 HydrophobicContact CG-CE2 4.07Å; L1202-L1231 HydrophobicContact CB-CD2 4.39Å; L1202-L1231 HydrophobicContact CD1-CB 4.27Å; L1202-L1231 HydrophobicContact CD1-CD2 4.1Å; L1202-L1231 HydrophobicContact CD1-CG 4Å; L1202-L1231 HydrophobicContact CD2-CD2 4.3Å; L1202-L1232 HydrophobicContact CD1-CB 3.85Å; L1202-L1232 HydrophobicContact CD1-CD1 4.36Å; L1202-E1358 HydrophobicContact CD1-CG 4.34Å; L1202-E1358 HydrophobicContact CD2-CG 3.72Å; L1202-E1358 HydrophobicContact CG-CG 3.89Å
1203K93.8Very high93.5Very high107 Ų10741.6 Ų41.647%0.46521%0.212SC..Hα-helixtrans-63.2-44.9167.9-175.1171.7-177.8172.80110.7M1199 E1201 Y1205 A1206 E1207 L1224M1199-K1203 WeakPolarHBondContact O-CB 3.22Å; M1199-K1203 PolarHBondContact O-N 3.34Å; E1201-K1203 VanDerWaalsContact C-N 3.28Å; E1201-K1203 PolarHBondContact O-N 3.04Å; K1203-Y1205 VanDerWaalsContact C-N 3.35Å; K1203-Y1205 PolarHBondContact O-N 3.38Å; K1203-A1206 WeakPolarHBondContact O-CB 3.41Å; K1203-A1206 PolarHBondContact O-N 3.48Å; K1203-A1206 VanDerWaalsContact O-N 3.15Å; K1203-E1207 WeakPolarHBondContact O-CG 3.22Å; K1203-E1207 PolarHBondContact O-N 3.18Å; K1203-L1224 HydrophobicContact CG-CD1 4.08Å
1204H93.1Very high93.5Very high74 Ų7445.2 Ų45.234%0.34323%0.228SC..Hα-helixtrans-64.5-36.2174-168.248.7000112.8V1138 N1200 E1201 A1206 E1207 L1208V1138-H1204 HydrophobicContact CG2-CB 4.47Å; N1200-H1204 PolarHBondContact O-N 3.3Å; N1200-H1204 VanDerWaalsContact O-N 3.08Å; E1201-H1204 WeakPolarHBondContact O-CA 3.35Å; E1201-H1204 WeakPolarHBondContact O-CB 3.21Å; E1201-H1204 PolarHBondContact O-N 3.49Å; H1204-A1206 VanDerWaalsContact C-N 3.32Å; H1204-A1206 PolarHBondContact O-N 3.44Å; H1204-E1207 IonicContact CE1-OE2 2.65Å; H1204-E1207 IonicContact CG-OE2 3.82Å; H1204-E1207 IonicContact ND1-OE2 2.73Å; H1204-E1207 PolarHBondContact ND1-OE2 3.01Å; H1204-E1207 WeakPolarHBondContact O-CB 3.4Å; H1204-E1207 PolarHBondContact O-N 2.78Å; H1204-L1208 WeakPolarHBondContact O-CG 3.48Å; H1204-L1208 PolarHBondContact O-N 3.24Å
1205Y95.3Very high93.4Very high0 Ų045.5 Ų45.50%023%0.229CC..Hα-helixtrans-58.9-44.9171167.6-98.6000111.3A1134 Y1135 E1201 L1202 K1203 E1207 L1208 V1209 L1231 A1402 L1406A1134-Y1205 HydrophobicContact CB-CD2 4.47Å; A1134-Y1205 HydrophobicContact CB-CE2 4.27Å; Y1135-Y1205 HydrophobicContact CD2-CE2 4.13Å; E1201-Y1205 PolarHBondContact O-N 3.02Å; L1202-Y1205 PolarHBondContact O-N 3.32Å; K1203-Y1205 VanDerWaalsContact C-N 3.35Å; K1203-Y1205 PolarHBondContact O-N 3.38Å; Y1205-E1207 VanDerWaalsContact C-N 3.32Å; Y1205-E1207 PolarHBondContact O-N 3.36Å; Y1205-L1208 PolarHBondContact O-N 3.36Å; Y1205-L1208 VanDerWaalsContact O-N 3.1Å; Y1205-V1209 HydrophobicContact CD1-CG2 4.18Å; Y1205-V1209 HydrophobicContact CE1-CG2 3.65Å; Y1205-V1209 HydrophobicContact CE2-CG2 4.16Å; Y1205-V1209 WeakPolarHBondContact O-CG2 3.25Å; Y1205-V1209 PolarHBondContact O-N 2.8Å; Y1205-V1209 VanDerWaalsContact O-N 3.16Å; Y1205-L1231 HydrophobicContact CD1-CD2 3.72Å; Y1205-L1231 HydrophobicContact CE1-CD1 4.2Å; Y1205-L1231 HydrophobicContact CE1-CD2 3.9Å; Y1205-A1402 WeakPolarHBondContact OH-CB 3.39Å; Y1205-L1406 HydrophobicContact CD1-CD2 4.46Å; Y1205-L1406 HydrophobicContact CE1-CD2 4.23Å
1206A96.2Very high93.4Very high0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-62.3-37.5178.200000112.5L1202 K1203 H1204 L1208 V1209 F1212 L1224 L1406L1202-A1206 PolarHBondContact O-N 3.21Å; K1203-A1206 WeakPolarHBondContact O-CB 3.41Å; K1203-A1206 PolarHBondContact O-N 3.48Å; K1203-A1206 VanDerWaalsContact O-N 3.15Å; H1204-A1206 VanDerWaalsContact C-N 3.32Å; H1204-A1206 PolarHBondContact O-N 3.44Å; A1206-L1208 VanDerWaalsContact C-N 3.26Å; A1206-L1208 PolarHBondContact O-N 2.97Å; A1206-V1209 PolarHBondContact O-N 3.29Å; A1206-V1209 VanDerWaalsContact O-N 3.16Å; A1206-F1212 HydrophobicContact CB-CD1 3.89Å; A1206-F1212 HydrophobicContact CB-CE1 3.63Å; A1206-F1212 HydrophobicContact CB-CZ 4.05Å; A1206-F1212 VanDerWaalsContact O-CB 3.32Å; A1206-F1212 WeakPolarHBondContact O-CB 3.24Å; A1206-F1212 WeakPolarHBondContact O-CD1 3.37Å; A1206-F1212 WeakPolarHBondContact O-CG 3.31Å; A1206-L1224 HydrophobicContact CB-CD2 3.86Å; A1206-L1406 HydrophobicContact CB-CD1 4.01Å; A1206-L1406 HydrophobicContact CB-CD2 3.59Å; A1206-L1406 HydrophobicContact CB-CG 4.44Å
1207E95.1Very high93.5Very high85 Ų8549.1 Ų49.140%0.39725%0.252SS..Hα-helixtrans-60.3-34.8173.4-65.4175.315600112.9K1203 H1204 Y1205 M1213K1203-E1207 WeakPolarHBondContact O-CG 3.22Å; K1203-E1207 PolarHBondContact O-N 3.18Å; H1204-E1207 IonicContact CE1-OE2 2.65Å; H1204-E1207 IonicContact CG-OE2 3.82Å; H1204-E1207 IonicContact ND1-OE2 2.73Å; H1204-E1207 PolarHBondContact ND1-OE2 3.01Å; H1204-E1207 WeakPolarHBondContact O-CB 3.4Å; H1204-E1207 PolarHBondContact O-N 2.78Å; Y1205-E1207 VanDerWaalsContact C-N 3.32Å; Y1205-E1207 PolarHBondContact O-N 3.36Å; E1207-M1213 HydrophobicContact CB-CE 4.39Å; E1207-M1213 HydrophobicContact CB-CG 4.25Å; E1207-M1213 HydrophobicContact CB-SD 4.16Å; E1207-M1213 HydrophobicContact CG-CE 3.96Å; E1207-M1213 HydrophobicContact CG-SD 3.84Å; E1207-M1213 WeakPolarHBondContact O-CG 3.26Å
1208L95.2Very high93.4Very high51 Ų5149 Ų4927%0.26725%0.253SS..Hα-helixtrans-79.8-15.7177.8-61.7170.9000113.5A1134 M1137 V1138 H1204 Y1205 A1206 P1210A1134-L1208 HydrophobicContact CB-CB 3.68Å; M1137-L1208 HydrophobicContact CB-CD1 3.69Å; M1137-L1208 HydrophobicContact CE-CD1 3.84Å; M1137-L1208 HydrophobicContact CE-CD2 3.98Å; M1137-L1208 HydrophobicContact SD-CD1 4.24Å; V1138-L1208 HydrophobicContact CG2-CD1 3.98Å; H1204-L1208 WeakPolarHBondContact O-CG 3.48Å; H1204-L1208 PolarHBondContact O-N 3.24Å; Y1205-L1208 PolarHBondContact O-N 3.36Å; Y1205-L1208 VanDerWaalsContact O-N 3.1Å; A1206-L1208 VanDerWaalsContact C-N 3.26Å; A1206-L1208 PolarHBondContact O-N 2.97Å; L1208-P1210 WeakPolarHBondContact O-CD 3.47Å
1209V96.2Very high93.3Very high2 Ų249 Ų491%0.01225%0.253CS..SBendtrans-68.6120.2-179.5166.60000110.7L1131 Y1205 A1206 G1211 F1212 A1403 L1406 F1431L1131-V1209 HydrophobicContact CD2-CG1 4.23Å; L1131-V1209 HydrophobicContact CD2-CG2 4.18Å; Y1205-V1209 HydrophobicContact CD1-CG2 4.18Å; Y1205-V1209 HydrophobicContact CE1-CG2 3.65Å; Y1205-V1209 HydrophobicContact CE2-CG2 4.16Å; Y1205-V1209 WeakPolarHBondContact O-CG2 3.25Å; Y1205-V1209 PolarHBondContact O-N 2.8Å; Y1205-V1209 VanDerWaalsContact O-N 3.16Å; A1206-V1209 PolarHBondContact O-N 3.29Å; A1206-V1209 VanDerWaalsContact O-N 3.16Å; V1209-G1211 PolarHBondContact O-N 3.05Å; V1209-F1212 HydrophobicContact CB-CB 4.1Å; V1209-F1212 HydrophobicContact CG1-CB 4.16Å; V1209-F1212 WeakPolarHBondContact O-CB 3.38Å; V1209-F1212 PolarHBondContact O-N 3.19Å; V1209-A1403 HydrophobicContact CG1-CB 4.46Å; V1209-L1406 HydrophobicContact CB-CD2 4.2Å; V1209-L1406 HydrophobicContact CG1-CD2 4.4Å; V1209-L1406 HydrophobicContact CG2-CD2 3.89Å; V1209-F1431 HydrophobicContact CG1-CE2 3.91Å; V1209-F1431 HydrophobicContact CG1-CZ 3.54Å
1210P94.1Very high93.5Very high15 Ų1549.7 Ų49.710%0.09725%0.253CS..THydrogen-bonded Turntrans-64.1105-166.9-25.635.4000114.6L1127 M1130 L1208L1127-P1210 HydrophobicContact CD1-CB 3.82Å; L1127-P1210 HydrophobicContact CD1-CG 4.1Å; M1130-P1210 HydrophobicContact CB-CG 3.55Å; M1130-P1210 HydrophobicContact CE-CB 3.96Å; M1130-P1210 HydrophobicContact CE-CG 3.84Å; M1130-P1210 HydrophobicContact CG-CG 4.39Å; M1130-P1210 HydrophobicContact SD-CB 4.29Å; M1130-P1210 HydrophobicContact SD-CG 4.09Å; L1208-P1210 WeakPolarHBondContact O-CD 3.47Å
1211G93Very high93.5Very high25 Ų2549.7 Ų49.726%0.25825%0.25SS..THydrogen-bonded Turntrans104.4-7.1179.700000114.6V1209 N1214V1209-G1211 PolarHBondContact O-N 3.05Å; G1211-N1214 WeakPolarHBondContact O-CB 3.32Å; G1211-N1214 PolarHBondContact O-N 3.28Å
1212F95.9Very high93.3Very high3 Ų347.4 Ų47.41%0.01324%0.24CC..G310 helixtrans-62.6-45.3175.3-175.1-98.5000111.5A1206 V1209 N1214 L1215 R1220 M1223 L1224 L1406 V1407 L1427A1206-F1212 HydrophobicContact CB-CD1 3.89Å; A1206-F1212 HydrophobicContact CB-CE1 3.63Å; A1206-F1212 HydrophobicContact CB-CZ 4.05Å; A1206-F1212 VanDerWaalsContact O-CB 3.32Å; A1206-F1212 WeakPolarHBondContact O-CB 3.24Å; A1206-F1212 WeakPolarHBondContact O-CD1 3.37Å; A1206-F1212 WeakPolarHBondContact O-CG 3.31Å; V1209-F1212 HydrophobicContact CB-CB 4.1Å; V1209-F1212 HydrophobicContact CG1-CB 4.16Å; V1209-F1212 WeakPolarHBondContact O-CB 3.38Å; V1209-F1212 PolarHBondContact O-N 3.19Å; F1212-N1214 PolarHBondContact O-N 3.42Å; F1212-N1214 VanDerWaalsContact O-N 3.07Å; F1212-L1215 HydrophobicContact CD2-CD1 4.19Å; F1212-L1215 HydrophobicContact CE2-CD1 4.48Å; F1212-L1215 WeakPolarHBondContact O-CB 3.38Å; F1212-L1215 WeakPolarHBondContact O-CG 3.15Å; F1212-L1215 PolarHBondContact O-N 2.67Å; F1212-R1220 HydrophobicContact CD1-CG 4.07Å; F1212-R1220 HydrophobicContact CE1-CB 3.67Å; F1212-R1220 HydrophobicContact CE1-CG 3.69Å; F1212-R1220 HydrophobicContact CE2-CG 4.49Å; F1212-R1220 HydrophobicContact CZ-CB 3.7Å; F1212-R1220 HydrophobicContact CZ-CG 3.92Å; F1212-R1220 VanDerWaalsContact O-CD 3.22Å; F1212-R1220 WeakPolarHBondContact O-CD 3.4Å; F1212-M1223 HydrophobicContact CE2-CB 3.84Å; F1212-M1223 HydrophobicContact CE2-CG 4.32Å; F1212-M1223 HydrophobicContact CZ-CB 4.19Å; F1212-L1224 HydrophobicContact CZ-CG 4.23Å; F1212-L1406 HydrophobicContact CD2-CD2 4.11Å; F1212-L1406 HydrophobicContact CD2-CG 4.34Å; F1212-L1406 HydrophobicContact CE2-CD1 4.16Å; F1212-L1406 HydrophobicContact CE2-CD2 4.21Å; F1212-L1406 HydrophobicContact CE2-CG 4.06Å; F1212-L1406 HydrophobicContact CZ-CD1 4.37Å; F1212-V1407 HydrophobicContact CD2-CG2 3.85Å; F1212-V1407 HydrophobicContact CE2-CG2 4.36Å; F1212-L1427 HydrophobicContact CB-CD2 4.49Å
1213M95Very high93.1Very high80 Ų8047.3 Ų47.339%0.39424%0.24SC..G310 helixtrans-65-9.9176.6-68.6-61.7-91.900115E1207 R1220E1207-M1213 HydrophobicContact CB-CE 4.39Å; E1207-M1213 HydrophobicContact CB-CG 4.25Å; E1207-M1213 HydrophobicContact CB-SD 4.16Å; E1207-M1213 HydrophobicContact CG-CE 3.96Å; E1207-M1213 HydrophobicContact CG-SD 3.84Å; E1207-M1213 WeakPolarHBondContact O-CG 3.26Å; M1213-R1220 PolarHBondContact O-NH1 2.93Å; M1213-R1220 VanDerWaalsContact O-NH1 3.11Å
1214N92.4Very high93Very high126 Ų12643.5 Ų43.567%0.67422%0.224SC*.G310 helixtrans-83.5-14.1173.5-61.68.6000112.6G1211 F1212G1211-N1214 WeakPolarHBondContact O-CB 3.32Å; G1211-N1214 PolarHBondContact O-N 3.28Å; F1212-N1214 PolarHBondContact O-N 3.42Å; F1212-N1214 VanDerWaalsContact O-N 3.07Å
1215L92.7Very high92.8Very high8 Ų841.4 Ų41.44%0.04222%0.215CC..SBendtrans-73156.7172.7-57.3174.9000110.3F1212 R1220 E1423 V1424 L1427F1212-L1215 HydrophobicContact CD2-CD1 4.19Å; F1212-L1215 HydrophobicContact CE2-CD1 4.48Å; F1212-L1215 WeakPolarHBondContact O-CB 3.38Å; F1212-L1215 WeakPolarHBondContact O-CG 3.15Å; F1212-L1215 PolarHBondContact O-N 2.67Å; L1215-R1220 HydrophobicContact CB-CG 3.78Å; L1215-R1220 PolarHBondContact O-NH1 2.94Å; L1215-E1423 HydrophobicContact CD2-CB 3.78Å; L1215-V1424 HydrophobicContact CD1-CG2 4.14Å; L1215-V1424 HydrophobicContact CD2-CG2 3.96Å; L1215-L1427 HydrophobicContact CD1-CD2 4.01Å; L1215-L1427 HydrophobicContact CG-CD2 4.32Å
1216S92.3Very high92.5Very high33 Ų3341.4 Ų41.423%0.23122%0.215CC..  trans-59.9152.2174.778.60000111N1218 D1219 R1220 T1419S1216-N1218 VanDerWaalsContact C-N 3.3Å; S1216-N1218 PolarHBondContact O-N 2.75Å; S1216-D1219 PolarHBondContact O-N 2.78Å; S1216-D1219 VanDerWaalsContact O-N 3.13Å; S1216-D1219 WeakPolarHBondContact OG-CB 3.32Å; S1216-D1219 VanDerWaalsContact OG-CG 3.25Å; S1216-D1219 PolarHBondContact OG-N 3.21Å; S1216-D1219 PolarHBondContact OG-OD1 3.3Å; S1216-R1220 WeakPolarHBondContact O-CG 3.43Å; S1216-R1220 PolarHBondContact O-N 2.83Å; S1216-T1419 PolarHBondContact OG-OG1 3.29Å
1217M92.3Very high92.3Very high133 Ų13341.4 Ų41.466%0.65522%0.215SC*.Hα-helixtrans-57.5-44.4-178.1-179.1163.3165.800112D1219 R1220 E1221M1217-D1219 PolarHBondContact O-N 3.31Å; M1217-R1220 PolarHBondContact O-N 2.86Å; M1217-E1221 WeakPolarHBondContact O-CB 3.36Å; M1217-E1221 PolarHBondContact O-N 2.94Å
1218N90.3Very high92.1Very high72 Ų7237.6 Ų37.639%0.38520%0.197SC..Hα-helixtrans-56.5-47.2173.7179.698.1000112.6S1216 R1220 E1221 I1222 T1419S1216-N1218 VanDerWaalsContact C-N 3.3Å; S1216-N1218 PolarHBondContact O-N 2.75Å; N1218-R1220 VanDerWaalsContact C-N 3.34Å; N1218-R1220 PolarHBondContact O-N 2.83Å; N1218-E1221 PolarHBondContact O-N 2.86Å; N1218-I1222 VanDerWaalsContact ND2-CD1 3.34Å; N1218-I1222 WeakPolarHBondContact ND2-CD1 3.44Å; N1218-I1222 WeakPolarHBondContact O-CG1 3.44Å; N1218-I1222 PolarHBondContact O-N 2.98Å; N1218-T1419 HydrophobicContact CB-CG2 4.34Å
1219D91.5Very high92Very high0 Ų035.2 Ų35.20%019%0.185CC..Hα-helixtrans-70.9-31.8-177.9-70.118.9000111.6S1216 M1217 M1223 L1418 T1419 N1420 V1424S1216-D1219 PolarHBondContact O-N 2.78Å; S1216-D1219 VanDerWaalsContact O-N 3.13Å; S1216-D1219 WeakPolarHBondContact OG-CB 3.32Å; S1216-D1219 VanDerWaalsContact OG-CG 3.25Å; S1216-D1219 PolarHBondContact OG-N 3.21Å; S1216-D1219 PolarHBondContact OG-OD1 3.3Å; M1217-D1219 PolarHBondContact O-N 3.31Å; D1219-M1223 WeakPolarHBondContact O-CB 3.39Å; D1219-M1223 WeakPolarHBondContact O-CG 3.28Å; D1219-M1223 PolarHBondContact O-N 3Å; D1219-L1418 HydrophobicContact CB-CD2 4.25Å; D1219-T1419 WeakPolarHBondContact OD1-CB 3.23Å; D1219-T1419 PolarHBondContact OD1-N 2.85Å; D1219-T1419 PolarHBondContact OD1-OG1 3.39Å; D1219-T1419 PolarHBondContact OD2-N 3.03Å; D1219-T1419 PolarHBondContact OD2-OG1 2.88Å; D1219-N1420 PolarHBondContact OD2-N 3.15Å; D1219-V1424 HydrophobicContact CB-CG2 4.24Å
1220R93Very high91.9Very high57 Ų5735.2 Ų35.222%0.21519%0.185CC..Hα-helixtrans-66.2-39.5171.5-65.7-172.6-45.6-127.513.6112.1F1212 M1213 L1215 S1216 M1217 N1218 M1223 L1224F1212-R1220 HydrophobicContact CD1-CG 4.07Å; F1212-R1220 HydrophobicContact CE1-CB 3.67Å; F1212-R1220 HydrophobicContact CE1-CG 3.69Å; F1212-R1220 HydrophobicContact CE2-CG 4.49Å; F1212-R1220 HydrophobicContact CZ-CB 3.7Å; F1212-R1220 HydrophobicContact CZ-CG 3.92Å; F1212-R1220 VanDerWaalsContact O-CD 3.22Å; F1212-R1220 WeakPolarHBondContact O-CD 3.4Å; M1213-R1220 PolarHBondContact O-NH1 2.93Å; M1213-R1220 VanDerWaalsContact O-NH1 3.11Å; L1215-R1220 HydrophobicContact CB-CG 3.78Å; L1215-R1220 PolarHBondContact O-NH1 2.94Å; S1216-R1220 WeakPolarHBondContact O-CG 3.43Å; S1216-R1220 PolarHBondContact O-N 2.83Å; M1217-R1220 PolarHBondContact O-N 2.86Å; N1218-R1220 VanDerWaalsContact C-N 3.34Å; N1218-R1220 PolarHBondContact O-N 2.83Å; R1220-M1223 PolarHBondContact O-N 3.43Å; R1220-L1224 WeakPolarHBondContact O-CG 3.48Å; R1220-L1224 PolarHBondContact O-N 3.5Å
1221E89.8Confident92Very high100 Ų10034.5 Ų34.547%0.46718%0.181SC..Hα-helixtrans-67.9-44.4178.5-170.6154.4-134.300111.5M1217 N1218 M1223 L1224 N1225M1217-E1221 WeakPolarHBondContact O-CB 3.36Å; M1217-E1221 PolarHBondContact O-N 2.94Å; N1218-E1221 PolarHBondContact O-N 2.86Å; E1221-M1223 VanDerWaalsContact C-N 3.35Å; E1221-M1223 PolarHBondContact O-N 3.42Å; E1221-L1224 PolarHBondContact O-N 3.44Å; E1221-N1225 WeakPolarHBondContact O-CB 3.38Å; E1221-N1225 PolarHBondContact O-N 2.92Å; E1221-N1225 PolarHBondContact O-OD1 3.38Å
1222I88.7Confident92.1Very high23 Ų2333.3 Ų33.312%0.11817%0.168CC..Hα-helixtrans-60.4-41.2171.4-67.7172.8000111.5N1218 N1225 L1226 L1418N1218-I1222 VanDerWaalsContact ND2-CD1 3.34Å; N1218-I1222 WeakPolarHBondContact ND2-CD1 3.44Å; N1218-I1222 WeakPolarHBondContact O-CG1 3.44Å; N1218-I1222 PolarHBondContact O-N 2.98Å; I1222-N1225 PolarHBondContact O-N 3.39Å; I1222-L1226 HydrophobicContact CG2-CD1 3.8Å; I1222-L1226 HydrophobicContact CG2-CG 4.45Å; I1222-L1226 WeakPolarHBondContact O-CB 3.33Å; I1222-L1226 WeakPolarHBondContact O-CG 3.21Å; I1222-L1226 PolarHBondContact O-N 2.92Å; I1222-L1418 HydrophobicContact CG2-CD2 4.1Å
1223M90.4Very high92.1Very high0 Ų033.2 Ų33.20%017%0.168CC..Hα-helixtrans-64.4-40175.4-72.8-62.691.400113.2F1212 D1219 R1220 E1221 L1226 H1227 I1412 L1418 V1424F1212-M1223 HydrophobicContact CE2-CB 3.84Å; F1212-M1223 HydrophobicContact CE2-CG 4.32Å; F1212-M1223 HydrophobicContact CZ-CB 4.19Å; D1219-M1223 WeakPolarHBondContact O-CB 3.39Å; D1219-M1223 WeakPolarHBondContact O-CG 3.28Å; D1219-M1223 PolarHBondContact O-N 3Å; R1220-M1223 PolarHBondContact O-N 3.43Å; E1221-M1223 VanDerWaalsContact C-N 3.35Å; E1221-M1223 PolarHBondContact O-N 3.42Å; M1223-L1226 HydrophobicContact CE-CD1 3.73Å; M1223-H1227 PolarHBondContact O-N 3.02Å; M1223-H1227 VanDerWaalsContact O-N 3.16Å; M1223-I1412 HydrophobicContact CE-CD1 3.24Å; M1223-I1412 HydrophobicContact CE-CG1 3.81Å; M1223-I1412 HydrophobicContact SD-CD1 4.09Å; M1223-L1418 HydrophobicContact CE-CD2 4.21Å; M1223-V1424 HydrophobicContact CE-CG1 4.47Å; M1223-V1424 HydrophobicContact SD-CG1 3.86Å
1224L91.5Very high92.2Very high26 Ų2629.4 Ų29.414%0.13615%0.149CC..Hα-helixtrans-66.3-46.7175.1-75.1165.8000111K1203 A1206 F1212 R1220 E1221 L1226 H1227 F1228 L1406K1203-L1224 HydrophobicContact CG-CD1 4.08Å; A1206-L1224 HydrophobicContact CB-CD2 3.86Å; F1212-L1224 HydrophobicContact CZ-CG 4.23Å; R1220-L1224 WeakPolarHBondContact O-CG 3.48Å; R1220-L1224 PolarHBondContact O-N 3.5Å; E1221-L1224 PolarHBondContact O-N 3.44Å; L1224-L1226 VanDerWaalsContact C-N 3.34Å; L1224-L1226 PolarHBondContact O-N 3.44Å; L1224-H1227 PolarHBondContact O-N 3.28Å; L1224-F1228 WeakPolarHBondContact O-CA 3.48Å; L1224-F1228 WeakPolarHBondContact O-CB 3.44Å; L1224-F1228 PolarHBondContact O-N 2.98Å; L1224-L1406 HydrophobicContact CD2-CD1 4.04Å
1225N88.8Confident92.3Very high30 Ų3023.5 Ų23.516%0.1612%0.117CC..Hα-helixtrans-69.6-29.7-177.3-66.2-0.5000112.9E1221 I1222 I1543E1221-N1225 WeakPolarHBondContact O-CB 3.38Å; E1221-N1225 PolarHBondContact O-N 2.92Å; E1221-N1225 PolarHBondContact O-OD1 3.38Å; I1222-N1225 PolarHBondContact O-N 3.39Å; N1225-I1543 HydrophobicContact CB-CD1 3.77Å; N1225-I1543 HydrophobicContact CB-CG2 4.48Å
1226L87.9Confident92.4Very high0 Ų023.2 Ų23.20%012%0.116CC..Hα-helixtrans-72.5-39172.4-81.8166.9000113.5I1222 M1223 L1224 I1412 I1543I1222-L1226 HydrophobicContact CG2-CD1 3.8Å; I1222-L1226 HydrophobicContact CG2-CG 4.45Å; I1222-L1226 WeakPolarHBondContact O-CB 3.33Å; I1222-L1226 WeakPolarHBondContact O-CG 3.21Å; I1222-L1226 PolarHBondContact O-N 2.92Å; M1223-L1226 HydrophobicContact CE-CD1 3.73Å; L1224-L1226 VanDerWaalsContact C-N 3.34Å; L1224-L1226 PolarHBondContact O-N 3.44Å; L1226-I1412 HydrophobicContact CD1-CG1 4.17Å; L1226-I1543 HydrophobicContact CB-CG2 4.38Å; L1226-I1543 HydrophobicContact CD2-CG2 3.45Å; L1226-I1543 VanDerWaalsContact CD2-CG2 3.45Å; L1226-I1543 HydrophobicContact CG-CG2 3.51Å
1227H91.5Very high92.5Very high0 Ų021.6 Ų21.60%011%0.105CC..Hα-helixtrans-126.65.2-162.6-64.1-47.8000115.9M1223 L1224 D1230 L1231 I1405 S1411M1223-H1227 PolarHBondContact O-N 3.02Å; M1223-H1227 VanDerWaalsContact O-N 3.16Å; L1224-H1227 PolarHBondContact O-N 3.28Å; H1227-D1230 IonicContact CE1-OD2 2.83Å; H1227-D1230 IonicContact CG-OD2 2.97Å; H1227-D1230 IonicContact ND1-OD2 3.61Å; H1227-D1230 PolarHBondContact ND1-OD2 3.33Å; H1227-D1230 PolarHBondContact O-N 2.74Å; H1227-L1231 VanDerWaalsContact O-CB 3.25Å; H1227-L1231 WeakPolarHBondContact O-CB 3.41Å; H1227-L1231 PolarHBondContact O-N 3.47Å; H1227-I1405 WeakPolarHBondContact CB-O 3.36Å; H1227-I1405 PolarHBondContact CD2-O 3.29Å; H1227-I1405 VanDerWaalsContact CG-O 3.25Å; H1227-S1411 PolarHBondContact CE1-OG 3.35Å; H1227-S1411 PolarHBondContact NE2-OG 2.84Å
1228F92Very high92.6Very high5 Ų515.6 Ų15.62%0.0228%0.075CC..Hα-helixtrans-57.1-50.8173.1164-110.5000111.9L1195 M1199 L1202 L1224 D1230 L1231 L1232L1195-F1228 HydrophobicContact CD1-CE1 3.8Å; L1195-F1228 HydrophobicContact CD1-CZ 3.89Å; L1195-F1228 HydrophobicContact CG-CE1 4.32Å; M1199-F1228 VanDerWaalsContact CA-CE2 3.44Å; M1199-F1228 HydrophobicContact CB-CE2 4.09Å; M1199-F1228 HydrophobicContact CB-CZ 4.09Å; M1199-F1228 HydrophobicContact CG-CD1 3.79Å; M1199-F1228 HydrophobicContact CG-CD2 4.06Å; M1199-F1228 HydrophobicContact CG-CE1 3.29Å; M1199-F1228 HydrophobicContact CG-CE2 3.61Å; M1199-F1228 HydrophobicContact CG-CG 4.16Å; M1199-F1228 HydrophobicContact CG-CZ 3.21Å; M1199-F1228 HydrophobicContact SD-CD1 4.4Å; M1199-F1228 HydrophobicContact SD-CE1 4.16Å; L1202-F1228 HydrophobicContact CB-CD2 3.94Å; L1202-F1228 HydrophobicContact CB-CE2 4.02Å; L1202-F1228 HydrophobicContact CD1-CD2 3.78Å; L1202-F1228 HydrophobicContact CD1-CE2 3.64Å; L1202-F1228 HydrophobicContact CG-CD2 4.33Å; L1202-F1228 HydrophobicContact CG-CE2 4.07Å; L1224-F1228 WeakPolarHBondContact O-CA 3.48Å; L1224-F1228 WeakPolarHBondContact O-CB 3.44Å; L1224-F1228 PolarHBondContact O-N 2.98Å; F1228-D1230 PolarHBondContact O-N 3.35Å; F1228-L1231 PolarHBondContact O-N 3.13Å; F1228-L1232 HydrophobicContact CE1-CD2 4.42Å; F1228-L1232 HydrophobicContact CE2-CB 4.46Å; F1228-L1232 HydrophobicContact CZ-CD2 3.97Å; F1228-L1232 WeakPolarHBondContact O-CB 3.4Å; F1228-L1232 PolarHBondContact O-N 3.09Å
1229L93Very high92.7Very high2 Ų213 Ų131%0.016%0.059CC..Hα-helixtrans-69.6-33-177.1-65-179.7000112.5L1195 S1233 T1515 L1519 L1523 I1540 M1544L1195-L1229 HydrophobicContact CD1-CD2 4.02Å; L1229-S1233 VanDerWaalsContact O-CB 3.24Å; L1229-S1233 WeakPolarHBondContact O-CB 3.29Å; L1229-S1233 PolarHBondContact O-N 3.29Å; L1229-S1233 PolarHBondContact O-OG 2.9Å; L1229-T1515 HydrophobicContact CB-CG2 3.52Å; L1229-L1519 HydrophobicContact CB-CD2 4.13Å; L1229-L1519 HydrophobicContact CD1-CD2 4.17Å; L1229-L1519 HydrophobicContact CD2-CD2 3.94Å; L1229-L1519 HydrophobicContact CG-CD2 4.31Å; L1229-L1523 HydrophobicContact CD1-CD1 3.45Å; L1229-L1523 VanDerWaalsContact CD1-CD1 3.45Å; L1229-L1523 HydrophobicContact CD2-CD1 4.23Å; L1229-I1540 HydrophobicContact CD1-CG2 3.8Å; L1229-I1540 HydrophobicContact CG-CG2 4.22Å; L1229-M1544 HydrophobicContact CB-SD 4.16Å; L1229-M1544 HydrophobicContact CD1-SD 3.8Å; L1229-M1544 HydrophobicContact CG-SD 4.34Å
1230D94.7Very high92.7Very high1 Ų113.2 Ų13.21%0.0056%0.061CC..Hα-helixtrans-64.4-46.3172.6-60.7-21.5000110.8H1227 F1228 S1233 F1234 I1405 I1511 H1512 T1515H1227-D1230 IonicContact CE1-OD2 2.83Å; H1227-D1230 IonicContact CG-OD2 2.97Å; H1227-D1230 IonicContact ND1-OD2 3.61Å; H1227-D1230 PolarHBondContact ND1-OD2 3.33Å; H1227-D1230 PolarHBondContact O-N 2.74Å; F1228-D1230 PolarHBondContact O-N 3.35Å; D1230-S1233 PolarHBondContact O-N 2.84Å; D1230-F1234 WeakPolarHBondContact O-CB 3.29Å; D1230-F1234 PolarHBondContact O-N 2.85Å; D1230-I1405 HydrophobicContact CB-CG2 3.51Å; D1230-I1511 HydrophobicContact CB-CG2 4.1Å; D1230-I1511 VanDerWaalsContact O-CG2 3.28Å; D1230-I1511 WeakPolarHBondContact O-CG2 3.19Å; D1230-H1512 WeakPolarHBondContact OD1-CA 3.3Å; D1230-H1512 IonicContact OD1-ND1 3.19Å; D1230-H1512 PolarHBondContact OD1-ND1 2.7Å; D1230-H1512 IonicContact OD2-CE1 2.68Å; D1230-H1512 IonicContact OD2-CG 3.63Å; D1230-H1512 IonicContact OD2-ND1 3.34Å; D1230-H1512 PolarHBondContact OD2-ND1 2.79Å; D1230-T1515 WeakPolarHBondContact OD1-CB 3.45Å
1231L95.5Very high92.5Very high1 Ų110.5 Ų10.51%0.0055%0.051CC..Hα-helixtrans-67.3-39.6-179.4-17964.4000111.7L1202 Y1205 H1227 F1228 R1235 A1402 I1405 L1406L1202-L1231 HydrophobicContact CB-CD2 4.39Å; L1202-L1231 HydrophobicContact CD1-CB 4.27Å; L1202-L1231 HydrophobicContact CD1-CD2 4.1Å; L1202-L1231 HydrophobicContact CD1-CG 4Å; L1202-L1231 HydrophobicContact CD2-CD2 4.3Å; Y1205-L1231 HydrophobicContact CD1-CD2 3.72Å; Y1205-L1231 HydrophobicContact CE1-CD1 4.2Å; Y1205-L1231 HydrophobicContact CE1-CD2 3.9Å; H1227-L1231 VanDerWaalsContact O-CB 3.25Å; H1227-L1231 WeakPolarHBondContact O-CB 3.41Å; H1227-L1231 PolarHBondContact O-N 3.47Å; F1228-L1231 PolarHBondContact O-N 3.13Å; L1231-R1235 HydrophobicContact CD1-CG 4.31Å; L1231-R1235 WeakPolarHBondContact O-CB 3.41Å; L1231-R1235 VanDerWaalsContact O-CG 3.28Å; L1231-R1235 WeakPolarHBondContact O-CG 3.45Å; L1231-R1235 PolarHBondContact O-N 3.16Å; L1231-A1402 HydrophobicContact CD1-CB 3.99Å; L1231-I1405 HydrophobicContact CB-CG2 4.2Å; L1231-L1406 HydrophobicContact CD2-CB 4.47Å
1232L95.2Very high92.2Very high0 Ų06.5 Ų6.50%03%0.032CC..Hα-helixtrans-62.5-50.1173179.165.6000111L1195 L1202 F1228 F1234 R1235 L1236 F1357 E1358L1195-L1232 HydrophobicContact CD1-CD2 3.22Å; L1202-L1232 HydrophobicContact CD1-CB 3.85Å; L1202-L1232 HydrophobicContact CD1-CD1 4.36Å; F1228-L1232 HydrophobicContact CE1-CD2 4.42Å; F1228-L1232 HydrophobicContact CE2-CB 4.46Å; F1228-L1232 HydrophobicContact CZ-CD2 3.97Å; F1228-L1232 WeakPolarHBondContact O-CB 3.4Å; F1228-L1232 PolarHBondContact O-N 3.09Å; L1232-F1234 VanDerWaalsContact C-N 3.3Å; L1232-F1234 PolarHBondContact O-N 2.89Å; L1232-R1235 PolarHBondContact O-N 3.36Å; L1232-L1236 HydrophobicContact CD1-CD1 4.01Å; L1232-L1236 HydrophobicContact CD1-CG 4.27Å; L1232-L1236 HydrophobicContact CG-CD1 3.87Å; L1232-L1236 WeakPolarHBondContact O-CB 3.47Å; L1232-L1236 WeakPolarHBondContact O-CG 3.39Å; L1232-L1236 PolarHBondContact O-N 3.09Å; L1232-F1357 HydrophobicContact CD1-CD1 4.3Å; L1232-E1358 HydrophobicContact CD1-CG 3.89Å
1233S95.9Very high91.4Very high0 Ų08.2 Ų8.20%04%0.039CC..Hα-helixtrans-58.7-42.3178.5-63.50000111.5L1229 D1230 A1237 W1376 I1380 T1515L1229-S1233 VanDerWaalsContact O-CB 3.24Å; L1229-S1233 WeakPolarHBondContact O-CB 3.29Å; L1229-S1233 PolarHBondContact O-N 3.29Å; L1229-S1233 PolarHBondContact O-OG 2.9Å; D1230-S1233 PolarHBondContact O-N 2.84Å; S1233-A1237 WeakPolarHBondContact O-CB 3.27Å; S1233-A1237 PolarHBondContact O-N 3.4Å; S1233-W1376 PolarHBondContact OG-NE1 3.1Å; S1233-I1380 WeakPolarHBondContact O-CD1 3.44Å; S1233-T1515 PolarHBondContact OG-OG1 2.98Å
1234F96.6Very high90Very high0 Ų010.2 Ų10.20%05%0.052CC..Hα-helixtrans-62.9-48.6174.8178.1-117.8000113.3D1230 L1232 A1237 W1238 L1387 I1398 L1401 A1402 I1405 I1511D1230-F1234 WeakPolarHBondContact O-CB 3.29Å; D1230-F1234 PolarHBondContact O-N 2.85Å; L1232-F1234 VanDerWaalsContact C-N 3.3Å; L1232-F1234 PolarHBondContact O-N 2.89Å; F1234-A1237 PolarHBondContact O-N 2.84Å; F1234-W1238 PolarHBondContact O-N 3.37Å; F1234-L1387 HydrophobicContact CD2-CD1 3.88Å; F1234-L1387 HydrophobicContact CE2-CD1 3.74Å; F1234-L1387 HydrophobicContact CE2-CD2 4.01Å; F1234-I1398 HydrophobicContact CE1-CG2 4.01Å; F1234-I1398 HydrophobicContact CE2-CD1 4.17Å; F1234-I1398 HydrophobicContact CZ-CB 4.42Å; F1234-I1398 HydrophobicContact CZ-CD1 3.72Å; F1234-I1398 HydrophobicContact CZ-CG2 3.92Å; F1234-L1401 HydrophobicContact CD2-CD2 4.41Å; F1234-L1401 HydrophobicContact CE1-CB 4.5Å; F1234-L1401 HydrophobicContact CE1-CG 4.47Å; F1234-L1401 HydrophobicContact CE2-CD2 3.56Å; F1234-L1401 HydrophobicContact CE2-CG 4.17Å; F1234-L1401 HydrophobicContact CZ-CB 4.09Å; F1234-L1401 HydrophobicContact CZ-CD2 3.69Å; F1234-L1401 HydrophobicContact CZ-CG 3.95Å; F1234-A1402 HydrophobicContact CD1-CB 4.22Å; F1234-A1402 HydrophobicContact CE1-CB 3.92Å; F1234-I1405 HydrophobicContact CB-CD1 3.79Å; F1234-I1405 HydrophobicContact CD1-CD1 3.79Å; F1234-I1405 HydrophobicContact CD2-CD1 4.14Å; F1234-I1405 HydrophobicContact CE1-CD1 4.42Å; F1234-I1405 HydrophobicContact CG-CD1 3.62Å; F1234-I1511 HydrophobicContact CB-CD1 4.07Å; F1234-I1511 HydrophobicContact CB-CG2 4.29Å; F1234-I1511 HydrophobicContact CD2-CD1 3.4Å; F1234-I1511 VanDerWaalsContact CD2-CD1 3.4Å; F1234-I1511 HydrophobicContact CE2-CD1 4.15Å; F1234-I1511 HydrophobicContact CG-CD1 4Å
1235R95.1Very high87.9Confident3 Ų311.9 Ų11.91%0.0116%0.059CC..Hα-helixtrans-68.9-35.2-177.1-72.6174.256.9109.52.7112.1Y1135 V1138 L1231 L1232 R1239 E1358Y1135-R1235 HydrophobicContact CE2-CG 3.94Å; V1138-R1235 PolarHBondContact O-NH2 3.38Å; L1231-R1235 HydrophobicContact CD1-CG 4.31Å; L1231-R1235 WeakPolarHBondContact O-CB 3.41Å; L1231-R1235 VanDerWaalsContact O-CG 3.28Å; L1231-R1235 WeakPolarHBondContact O-CG 3.45Å; L1231-R1235 PolarHBondContact O-N 3.16Å; L1232-R1235 PolarHBondContact O-N 3.36Å; R1235-R1239 PolarHBondContact O-N 3.16Å; R1235-E1358 WeakPolarHBondContact CB-OE1 3.31Å; R1235-E1358 IonicContact CZ-OE1 2.68Å; R1235-E1358 IonicContact CZ-OE2 2.69Å; R1235-E1358 IonicContact NE-OE1 2.64Å; R1235-E1358 PolarHBondContact NE-OE1 2.8Å; R1235-E1358 IonicContact NE-OE2 3.67Å; R1235-E1358 PolarHBondContact NE-OE2 3.25Å; R1235-E1358 IonicContact NH2-OE1 3.22Å; R1235-E1358 IonicContact NH2-OE2 3.17Å; R1235-E1358 PolarHBondContact NH2-OE2 2.85Å
1236L94.7Very high85.9Confident1 Ų113.1 Ų13.11%0.0057%0.068CC..Hα-helixtrans-62.4-51.3169.3-77.6167.8000111.7L1232 W1238 R1239 V1240 V1356 F1357 W1376 I1380L1232-L1236 HydrophobicContact CD1-CD1 4.01Å; L1232-L1236 HydrophobicContact CD1-CG 4.27Å; L1232-L1236 HydrophobicContact CG-CD1 3.87Å; L1232-L1236 WeakPolarHBondContact O-CB 3.47Å; L1232-L1236 WeakPolarHBondContact O-CG 3.39Å; L1232-L1236 PolarHBondContact O-N 3.09Å; L1236-W1238 VanDerWaalsContact C-N 3.25Å; L1236-W1238 PolarHBondContact O-N 3.02Å; L1236-R1239 PolarHBondContact O-N 2.98Å; L1236-R1239 VanDerWaalsContact O-N 3.1Å; L1236-V1240 WeakPolarHBondContact O-CG2 3.14Å; L1236-V1240 PolarHBondContact O-N 2.85Å; L1236-V1356 WeakPolarHBondContact CD2-O 3.33Å; L1236-F1357 HydrophobicContact CD1-CD1 4.13Å; L1236-F1357 HydrophobicContact CD1-CE1 3.82Å; L1236-F1357 HydrophobicContact CD1-CZ 4.32Å; L1236-F1357 HydrophobicContact CD2-CD1 4.27Å; L1236-F1357 HydrophobicContact CD2-CD2 4.43Å; L1236-F1357 HydrophobicContact CD2-CE1 4.45Å; L1236-F1357 HydrophobicContact CD2-CG 4.25Å; L1236-W1376 HydrophobicContact CD1-CH2 3.4Å; L1236-W1376 VanDerWaalsContact CD1-CH2 3.4Å; L1236-W1376 HydrophobicContact CD1-CZ2 3.8Å; L1236-W1376 HydrophobicContact CD1-CZ3 4.43Å; L1236-I1380 HydrophobicContact CB-CD1 4.43Å; L1236-I1380 HydrophobicContact CB-CG2 4.21Å
1237A95.3Very high83.3Confident0 Ų015 Ų150%08%0.079CC..Hα-helixtrans-58.9-37.4178.200000112S1233 F1234 A1241 I1380 L1383 S1384 L1387S1233-A1237 WeakPolarHBondContact O-CB 3.27Å; S1233-A1237 PolarHBondContact O-N 3.4Å; F1234-A1237 PolarHBondContact O-N 2.84Å; A1237-A1241 WeakPolarHBondContact O-CB 3Å; A1237-A1241 PolarHBondContact O-N 3.2Å; A1237-I1380 HydrophobicContact CB-CG2 4.09Å; A1237-L1383 HydrophobicContact CB-CB 4.17Å; A1237-L1383 HydrophobicContact CB-CD2 3.62Å; A1237-L1383 HydrophobicContact CB-CG 3.8Å; A1237-S1384 WeakPolarHBondContact O-CA 3.36Å; A1237-S1384 WeakPolarHBondContact O-CB 3.3Å; A1237-L1387 HydrophobicContact CB-CD1 4.09Å
1238W94.2Very high80.5Confident7 Ų718.4 Ų18.43%0.02710%0.1CC..Hα-helixtrans-70.3-38174.4-168.6-107.7000113.5F1234 L1236 A1241 M1242 L1387 I1391 Y1395 I1398F1234-W1238 PolarHBondContact O-N 3.37Å; L1236-W1238 VanDerWaalsContact C-N 3.25Å; L1236-W1238 PolarHBondContact O-N 3.02Å; W1238-A1241 HydrophobicContact CE3-CB 4.07Å; W1238-A1241 HydrophobicContact CZ3-CB 4.35Å; W1238-A1241 WeakPolarHBondContact O-CB 2.89Å; W1238-A1241 PolarHBondContact O-N 3.12Å; W1238-M1242 HydrophobicContact CH2-CE 3.68Å; W1238-M1242 HydrophobicContact CH2-SD 4.41Å; W1238-M1242 HydrophobicContact CZ2-CE 3.49Å; W1238-M1242 VanDerWaalsContact CZ2-CE 3.49Å; W1238-M1242 HydrophobicContact CZ2-CG 4.39Å; W1238-M1242 HydrophobicContact CZ2-SD 3.61Å; W1238-M1242 HydrophobicContact CZ3-CE 4.34Å; W1238-M1242 VanDerWaalsContact O-CG 3.29Å; W1238-M1242 WeakPolarHBondContact O-CG 3.14Å; W1238-M1242 PolarHBondContact O-N 3.4Å; W1238-L1387 HydrophobicContact CE3-CB 4.01Å; W1238-L1387 HydrophobicContact CZ3-CB 4.1Å; W1238-I1391 HydrophobicContact CH2-CB 4.43Å; W1238-I1391 HydrophobicContact CH2-CG2 4.18Å; W1238-I1391 HydrophobicContact CZ3-CB 4.44Å; W1238-Y1395 HydrophobicContact CZ2-CD1 4.04Å; W1238-Y1395 AromaticContact CZ2-CE1 3.82Å; W1238-Y1395 HydrophobicContact CZ2-CE1 3.82Å; W1238-I1398 HydrophobicContact CD2-CD1 3.44Å; W1238-I1398 VanDerWaalsContact CD2-CD1 3.44Å; W1238-I1398 HydrophobicContact CD2-CG1 3.8Å; W1238-I1398 HydrophobicContact CD2-CG2 4.43Å; W1238-I1398 HydrophobicContact CE3-CD1 3.34Å; W1238-I1398 HydrophobicContact CE3-CG1 4.08Å; W1238-I1398 HydrophobicContact CG-CD1 4.05Å; W1238-I1398 HydrophobicContact CG-CG1 4.39Å; W1238-I1398 HydrophobicContact CG-CG2 4.14Å; W1238-I1398 HydrophobicContact CH2-CD1 4.05Å; W1238-I1398 HydrophobicContact CH2-CG1 4.06Å; W1238-I1398 HydrophobicContact CZ2-CD1 4.15Å; W1238-I1398 HydrophobicContact CZ2-CG1 3.8Å; W1238-I1398 HydrophobicContact CZ3-CD1 3.66Å; W1238-I1398 HydrophobicContact CZ3-CG1 4.2Å
1239R91.7Very high77.5Confident17 Ų1725.9 Ų25.96%0.06414%0.135CC..Hα-helixtrans-62.3-46.6173.5-79.9-167.5-69.8-86.4-8.4111.9R1235 L1236 A1241 M1242 E1243 V1356 E1358R1235-R1239 PolarHBondContact O-N 3.16Å; L1236-R1239 PolarHBondContact O-N 2.98Å; L1236-R1239 VanDerWaalsContact O-N 3.1Å; R1239-A1241 VanDerWaalsContact C-N 3.26Å; R1239-A1241 PolarHBondContact O-N 2.8Å; R1239-M1242 PolarHBondContact O-N 3.05Å; R1239-M1242 VanDerWaalsContact O-N 3.08Å; R1239-E1243 PolarHBondContact O-N 3.05Å; R1239-V1356 VanDerWaalsContact CZ-O 3.25Å; R1239-V1356 PolarHBondContact NE-O 2.73Å; R1239-V1356 PolarHBondContact NH2-O 3.46Å; R1239-E1358 IonicContact CZ-OE1 3.18Å; R1239-E1358 IonicContact CZ-OE2 2.73Å; R1239-E1358 IonicContact NH1-OE1 3.33Å; R1239-E1358 PolarHBondContact NH1-OE1 3.13Å; R1239-E1358 IonicContact NH1-OE2 3.56Å; R1239-E1358 PolarHBondContact NH1-OE2 3.27Å; R1239-E1358 IonicContact NH2-OE1 2.73Å; R1239-E1358 PolarHBondContact NH2-OE1 3Å; R1239-E1358 IonicContact NH2-OE2 3.8Å
1240V91.1Very high74.4Confident5 Ų531.5 Ų31.53%0.0316%0.164CC..Hα-helixtrans-59-37.3175.2176.20000111.4L1236 M1242 I1353 F1355 I1380L1236-V1240 WeakPolarHBondContact O-CG2 3.14Å; L1236-V1240 PolarHBondContact O-N 2.85Å; V1240-M1242 VanDerWaalsContact C-N 3.33Å; V1240-M1242 PolarHBondContact O-N 3.44Å; V1240-I1353 HydrophobicContact CG1-CG2 4.21Å; V1240-F1355 HydrophobicContact CG2-CD1 4.09Å; V1240-F1355 HydrophobicContact CG2-CE1 4.17Å; V1240-I1380 HydrophobicContact CG2-CG2 4.5Å
1241A88.9Confident71.1Confident0 Ų037.6 Ų37.60%020%0.197CC..Hα-helixtrans-60.4-41175.700000112.7A1237 W1238 R1239 T1244 S1384 K1388A1237-A1241 WeakPolarHBondContact O-CB 3Å; A1237-A1241 PolarHBondContact O-N 3.2Å; W1238-A1241 HydrophobicContact CE3-CB 4.07Å; W1238-A1241 HydrophobicContact CZ3-CB 4.35Å; W1238-A1241 WeakPolarHBondContact O-CB 2.89Å; W1238-A1241 PolarHBondContact O-N 3.12Å; R1239-A1241 VanDerWaalsContact C-N 3.26Å; R1239-A1241 PolarHBondContact O-N 2.8Å; A1241-T1244 PolarHBondContact O-OG1 3.11Å; A1241-S1384 WeakPolarHBondContact CB-O 3.41Å; A1241-K1388 HydrophobicContact CB-CB 4.2Å
1242M83.7Confident67.7Low16 Ų1647.3 Ų47.38%0.07924%0.235CC..Hα-helixtrans-78.2-38.5-177.2-58.7-73.186.400113I1142 W1238 R1239 V1240 T1244 E1245 Y1395I1142-M1242 HydrophobicContact CD1-CG 4.27Å; W1238-M1242 HydrophobicContact CH2-CE 3.68Å; W1238-M1242 HydrophobicContact CH2-SD 4.41Å; W1238-M1242 HydrophobicContact CZ2-CE 3.49Å; W1238-M1242 VanDerWaalsContact CZ2-CE 3.49Å; W1238-M1242 HydrophobicContact CZ2-CG 4.39Å; W1238-M1242 HydrophobicContact CZ2-SD 3.61Å; W1238-M1242 HydrophobicContact CZ3-CE 4.34Å; W1238-M1242 VanDerWaalsContact O-CG 3.29Å; W1238-M1242 WeakPolarHBondContact O-CG 3.14Å; W1238-M1242 PolarHBondContact O-N 3.4Å; R1239-M1242 PolarHBondContact O-N 3.05Å; R1239-M1242 VanDerWaalsContact O-N 3.08Å; V1240-M1242 VanDerWaalsContact C-N 3.33Å; V1240-M1242 PolarHBondContact O-N 3.44Å; M1242-T1244 PolarHBondContact O-N 2.77Å; M1242-E1245 WeakPolarHBondContact O-CB 3.5Å; M1242-E1245 PolarHBondContact O-N 3.37Å; M1242-Y1395 HydrophobicContact SD-CE1 3.67Å
1243E72.6Confident64.2Low58 Ų5851.1 Ų51.127%0.27127%0.266SS..Hα-helixtrans-59.8-32.2179-75.2-176.1-149.700113.2R1239 E1245 V1246 T1247R1239-E1243 PolarHBondContact O-N 3.05Å; E1243-E1245 PolarHBondContact O-N 3.11Å; E1243-V1246 PolarHBondContact O-N 2.77Å; E1243-T1247 PolarHBondContact O-N 3.34Å
1244T59.7Low60.7Low42 Ų4256.4 Ų56.426%0.25830%0.3SS..Hα-helixtrans-60.9-32.2176.461.20000112.9A1241 M1242 T1247 T1248 K1388A1241-T1244 PolarHBondContact O-OG1 3.11Å; M1242-T1244 PolarHBondContact O-N 2.77Å; T1244-T1247 PolarHBondContact O-N 2.63Å; T1244-T1247 PolarHBondContact O-OG1 3.36Å; T1244-T1248 PolarHBondContact O-N 2.81Å; T1244-T1248 PolarHBondContact O-OG1 3.16Å; T1244-K1388 PolarHBondContact OG1-NZ 3.42Å
1245E47.9Very low57.3Low61 Ų6162 Ų6229%0.28534%0.335SS..Hα-helixtrans-67.3-43.9-177.3-64.1-177.7168.600112.2M1242 E1243 T1247 T1248 H1249 K1388M1242-E1245 WeakPolarHBondContact O-CB 3.5Å; M1242-E1245 PolarHBondContact O-N 3.37Å; E1243-E1245 PolarHBondContact O-N 3.11Å; E1245-T1247 VanDerWaalsContact C-N 3.25Å; E1245-T1247 PolarHBondContact O-N 2.91Å; E1245-T1248 WeakPolarHBondContact CA-OG1 3.42Å; E1245-T1248 PolarHBondContact O-N 2.95Å; E1245-T1248 PolarHBondContact O-OG1 3.38Å; E1245-H1249 PolarHBondContact O-N 3.17Å; E1245-K1388 WeakPolarHBondContact OE1-CE 3.5Å; E1245-K1388 IonicContact OE1-NZ 3.84Å
1246V45.8Very low53.8Low57 Ų5768.5 Ų68.535%0.34537%0.369SS..Hα-helixtrans-58.7-40.3176-173.70000110.4E1243 L1250E1243-V1246 PolarHBondContact O-N 2.77Å; V1246-L1250 HydrophobicContact CG1-CD1 4.37Å; V1246-L1250 PolarHBondContact O-N 2.9Å
1247T34.1Very low50.4Low38 Ų3878.5 Ų78.523%0.23341%0.413CS..Hα-helixtrans-73.3-35.5177.764.40000113.6E1243 T1244 E1245 H1249 L1250 N1251 K1351E1243-T1247 PolarHBondContact O-N 3.34Å; T1244-T1247 PolarHBondContact O-N 2.63Å; T1244-T1247 PolarHBondContact O-OG1 3.36Å; E1245-T1247 VanDerWaalsContact C-N 3.25Å; E1245-T1247 PolarHBondContact O-N 2.91Å; T1247-H1249 PolarHBondContact O-N 2.86Å; T1247-L1250 PolarHBondContact O-N 3.02Å; T1247-N1251 WeakPolarHBondContact O-CB 3.39Å; T1247-N1251 VanDerWaalsContact O-CG 3.3Å; T1247-N1251 PolarHBondContact O-N 2.82Å; T1247-N1251 PolarHBondContact O-ND2 2.98Å; T1247-K1351 HydrophobicContact CG2-CD 3.86Å
1248T32.1Very low47.1Very low72 Ų7284.6 Ų84.644%0.44244%0.444SS..Hα-helixtrans-68.7-31.9179.243.30000113.3T1244 E1245T1244-T1248 PolarHBondContact O-N 2.81Å; T1244-T1248 PolarHBondContact O-OG1 3.16Å; E1245-T1248 WeakPolarHBondContact CA-OG1 3.42Å; E1245-T1248 PolarHBondContact O-N 2.95Å; E1245-T1248 PolarHBondContact O-OG1 3.38Å
1249H30.2Very low43.7Very low163 Ų16393 Ų9376%0.75548%0.484SS*.Hα-helixtrans-76.6-26.4175.8-84.1-76.2000113.8E1245 T1247E1245-H1249 PolarHBondContact O-N 3.17Å; T1247-H1249 PolarHBondContact O-N 2.86Å
1250L27.3Very low40.7Very low120 Ų12099.6 Ų99.663%0.62852%0.52SS*.Hα-helixtrans-83.2-33.5176.4-73.5166.7000113V1246 T1247 Y1252 A1253V1246-L1250 HydrophobicContact CG1-CD1 4.37Å; V1246-L1250 PolarHBondContact O-N 2.9Å; T1247-L1250 PolarHBondContact O-N 3.02Å; L1250-Y1252 PolarHBondContact O-N 3.31Å; L1250-A1253 PolarHBondContact O-N 3.03Å
1251N25.4Very low37.6Very low129 Ų129107.9 Ų107.969%0.6956%0.558SS**THydrogen-bonded Turntrans-780.7-176.9-71.6-21.7000114.9T1247T1247-N1251 WeakPolarHBondContact O-CB 3.39Å; T1247-N1251 VanDerWaalsContact O-CG 3.3Å; T1247-N1251 PolarHBondContact O-N 2.82Å; T1247-N1251 PolarHBondContact O-ND2 2.98Å
1252Y25.3Very low34.5Very low205 Ų205112.3 Ų112.380%0.80459%0.589SS**THydrogen-bonded Turntrans-110.129.4172.4-86-77.1000113.1L1250 P1254L1250-Y1252 PolarHBondContact O-N 3.31Å; Y1252-P1254 VanDerWaalsContact C-CD 3.41Å; Y1252-P1254 WeakPolarHBondContact O-CD 3.29Å
1253A19.7Very low31.7Very low79 Ų79118.4 Ų118.465%0.65362%0.622SS**  trans-101.283171.900000112.1L1250 T1255L1250-A1253 PolarHBondContact O-N 3.03Å; A1253-T1255 PolarHBondContact O-N 2.64Å
1254P24Very low29.6Very low112 Ų112123.3 Ų123.373%0.72765%0.65SS**  trans-72.196.5170.431.2-34000110.3Y1252Y1252-P1254 VanDerWaalsContact C-CD 3.41Å; Y1252-P1254 WeakPolarHBondContact O-CD 3.29Å
1255T23.7Very low27.9Very low117 Ų117127.7 Ų127.772%0.71868%0.681SS**SBendtrans49.8117.2156.154.80000119.1A1253A1253-T1255 PolarHBondContact O-N 2.64Å
1256L23.1Very low26.9Very low139 Ų139130.6 Ų130.673%0.72870%0.703SS**  trans56.191142.7-69160.4000117.4I1258L1256-I1258 HydrophobicContact CD2-CD1 4.22Å; L1256-I1258 HydrophobicContact CD2-CG1 4.36Å
1257F23.5Very low26Very low212 Ų212137.1 Ų137.193%0.9373%0.727SS**  trans-119.8100.6139.9-94.9-88000109.7
1258I25.9Very low25.6Very low128 Ų128143.8 Ų143.866%0.65676%0.76SS**  trans-81.7116.6163-64.6171.2000106L1256 N1260L1256-I1258 HydrophobicContact CD2-CD1 4.22Å; L1256-I1258 HydrophobicContact CD2-CG1 4.36Å; I1258-N1260 PolarHBondContact O-N 3.2Å
1259E22.7Very low25.1Very low184 Ų184148.3 Ų148.386%0.8678%0.781SS**  trans-68.9117.8164-70.7-170148.800109
1260N27.8Very low25.1Very low154 Ų154148.9 Ų148.982%0.82478%0.784SS**  trans-148.9131.8156.3-100.9-52.9000109I1258I1258-N1260 PolarHBondContact O-N 3.2Å
1261H25.5Very low25.2Very low179 Ų179149.5 Ų149.583%0.82979%0.787SS**  trans-83.8163.3-172.4-101.8-93.3000113.2
1262S25.3Very low25.2Very low93 Ų93150.9 Ų150.965%0.6579%0.793SS**  trans65109.9159.556.30000118.8
1263D25Very low25.2Very low145 Ų145148.3 Ų148.378%0.77579%0.788SS**  52.277.7115.6-46.1-31.3000117.9
1264N26.7Very low25.7Very low160 Ų160152.2 Ų152.286%0.85680%0.797SS**  175.6107110.6-95.4-68.8000111.8
1265C25.1Very low25.8Very low134 Ų134152.9 Ų152.991%0.90580%0.795SS**  -164.5130.1125.3-134.80000112.4
1266T25.7Very low26Very low123 Ų123153.3 Ų153.376%0.75580%0.797SS**  trans-77.9161.3174.842.30000112
1267K27Very low26.2Very low194 Ų194153.5 Ų153.584%0.84380%0.799SS**  trans71.981.9173-52.9178.1179.8178.60117.3
1268L25.8Very low26.2Very low177 Ų177149 Ų14993%0.92778%0.783SS**  -159.985.8107.7-140.376.3000112.4
1269N21.9Very low26.4Very low168 Ų168148.9 Ų148.990%0.89878%0.784SS**  trans-154.175.4161.7-143-13.3000110.4
1270Q30.4Very low26.7Very low175 Ų175147.9 Ų147.982%0.81878%0.776SS**  trans-147.6125.8175-112.3179.8-16.300110.6
1271I29.2Very low26.6Very low132 Ų132146.3 Ų146.368%0.67777%0.773SS**  trans69.6102.1156.5-52.4163.7000116.2H1273I1271-H1273 VanDerWaalsContact CG2-O 3.29Å; I1271-H1273 WeakPolarHBondContact CG2-O 3.34Å
1272I25.4Very low26.8Very low159 Ų159145.3 Ų145.382%0.81577%0.768SS**SBendtrans-89.5147.2137-64.1176.6000106.4
1273H25.4Very low26.8Very low150 Ų150147.6 Ų147.669%0.69477%0.773SS**  trans69.392.1-168.7-72.6-81.9000115.4I1271I1271-H1273 VanDerWaalsContact CG2-O 3.29Å; I1271-H1273 WeakPolarHBondContact CG2-O 3.34Å
1274D30.4Very low26.9Very low161 Ų161148.6 Ų148.686%0.86178%0.777SS**  -137.216398.5-116.7-30.8000110.5
1275N26.1Very low26.7Very low127 Ų127146.1 Ų146.168%0.67977%0.772SS**  trans-130.5175-171.7-112.9-37.6000111.2
1276T28.5Very low26.8Very low125 Ų125145.7 Ų145.777%0.76777%0.771SS**  trans79148.8170.981.70000116.5
1277L26.7Very low26.8Very low144 Ų144145.5 Ų145.575%0.75477%0.774SS**  cis-151.3138.7-6.8-147.877.7000113.1
1278I25Very low26.6Very low117 Ų117144.5 Ų144.560%0.678%0.775SS**  trans20.8123.8142.1-58167.8000120.8K1280I1278-K1280 HydrophobicContact CG2-CG 4.05Å
1279D28.9Very low26.6Very low126 Ų126146.2 Ų146.267%0.67478%0.775SS**  -156.4129.4113.4-101.3-24.1000109.3
1280K28.5Very low26.7Very low162 Ų162146.1 Ų146.170%0.70477%0.771SS**  61.2127.974-61.6-161.7-145.984.20112.5I1278I1278-K1280 HydrophobicContact CG2-CG 4.05Å
1281T26.3Very low26.5Very low121 Ų121143.4 Ų143.474%0.74277%0.766SS**  cis-135.1-176.48.452.30000108.9
1282H29.5Very low26.6Very low158 Ų158143.2 Ų143.273%0.73177%0.774SS**  cis-163129.725.9-151.4-80.3000111.6
1283D25.7Very low26.6Very low141 Ų141143.3 Ų143.375%0.75477%0.774SS**  trans156.8128136.5-88.5-2.7000112.9
1284I25.9Very low26.7Very low166 Ų166142.2 Ų142.285%0.85178%0.778SS**  trans-151.4150-178.4-45.2178.3000109.8
1285S23.3Very low26.7Very low109 Ų109139.5 Ų139.576%0.76277%0.768SS**  trans101.5107.5147.178.20000120.3
1286S27.2Very low26.9Very low125 Ų125139.2 Ų139.287%0.87477%0.771SS**  -174.6138128.8-810000107.9
1287S25.6Very low26.9Very low119 Ų119141 Ų14183%0.83277%0.772SS**  cis-147.4162.13-171.80000111.3
1288M23.3Very low26.9Very low173 Ų173139.4 Ų139.485%0.85277%0.768SS**  trans-91.4155174-61.2161.564.200111.5
1289K26.2Very low27.1Very low213 Ų213139.3 Ų139.393%0.92677%0.773SS**  trans-163.1160.1137.2-111.9164.7-173.4179.20112
1290M22.8Very low27.2Very low166 Ų166139 Ų13982%0.81878%0.776SS**  trans-155.4164.7-168-142.6-163.316400111.6
1291T26.4Very low27.4Very low118 Ų118136.7 Ų136.772%0.72478%0.776SS**  trans61.7170.515850.50000118
1292P32.4Very low27.5Very low128 Ų128136.2 Ų136.283%0.83178%0.777SS**  cis-126.4-172.51.325.7-0.7000116.7
1293I24.6Very low27.6Very low161 Ų161132.5 Ų132.583%0.82677%0.774SS**  trans-107.9155.3-169-68.7161000112.8
1294T28.1Very low27.7Very low126 Ų126131.4 Ų131.477%0.77377%0.772SS**  trans-143.5149.3156.251.30000109.8
1295T29.4Very low27.7Very low105 Ų105129.2 Ų129.264%0.64477%0.767SS**  cis-171150.9-10-91.90000108.9
1296T30.6Very low27.9Very low121 Ų121132.5 Ų132.574%0.74277%0.767SS**  trans62.6143.1173.348.90000118.5
1297M27.8Very low27.7Very low163 Ų163131.9 Ų131.980%0.80376%0.758SS**  cis-154.6148.3-6.9-110-14118000113.1
1298V27.8Very low27.7Very low110 Ų110132.7 Ų132.767%0.66775%0.753SS**  trans71102.5140.8174.10000121.1
1299T29.4Very low27.8Very low114 Ų114130.1 Ų130.170%0.69975%0.748SS**  trans48.1139.8136.468.60000121.9
1300T30.2Very low27.7Very low120 Ų120125 Ų12574%0.73674%0.738SS**  cis-165.4-166.8-5.825.70000106.8
1301T32.1Very low27.8Very low114 Ų114122 Ų12270%0.69973%0.734SS**  cis-162.2159.117.4-19.90000112.3
1302S29.9Very low27.6Very low111 Ų111123.6 Ų123.678%0.77674%0.738SS**  trans18.4151140.6-62.90000124.2
1303A30.4Very low27.3Very low80 Ų80128 Ų12866%0.66174%0.74SS**  cis-175.8160.7-12.300000113
1304V28.9Very low27.4Very low118 Ų118127.4 Ų127.472%0.71573%0.733SS**  trans44.8110.1138.1173.80000118.3
1305T24.4Very low27.3Very low120 Ų120126 Ų12674%0.73672%0.721SS**  73.8131.554.174.10000117.7
1306K28Very low27.2Very low177 Ų177128.3 Ų128.377%0.7773%0.728SS**  trans134.3118.8162-77.1169.1-178.3-175.60111.3
1307T23.8Very low27.1Very low113 Ų113133 Ų13369%0.69373%0.733SS**  69131.870.283.20000111.5
1308D24.8Very low27Very low135 Ų135129.4 Ų129.472%0.72273%0.73SS**  cis-154.4164.921.9-91-53.7000115.6
1309T26.1Very low27.2Very low120 Ų120130.5 Ų130.574%0.73674%0.739SS**  trans49.4120.3146.658.10000125.7
1310S22.9Very low27Very low104 Ų104131.1 Ų131.173%0.72774%0.743SS**  88.6139.4120.571.80000125.7
1311S25.2Very low26.8Very low105 Ų105132.5 Ų132.573%0.73474%0.744SS**  trans71.1105.7150.255.40000123.6
1312N23.3Very low26.6Very low151 Ų151132.9 Ų132.981%0.80774%0.742SS**  trans12.7132.8136.3-51.8-5.8000121.1
1313Y26.5Very low26.6Very low220 Ų220134.3 Ų134.386%0.86374%0.741SS**  -162.8-165.1109.4-113.2-79000110.3
1314E25.8Very low26.2Very low149 Ų149142.1 Ų142.170%0.69675%0.754SS**  trans-103.1155.1-146.3-71.4-178.185.600120
1315N25.9Very low26Very low96 Ų96143.5 Ų143.551%0.51376%0.757SS.*  trans23.3129.8143.1-66.7-73.1000121.3R1477N1315-R1477 PolarHBondContact OD1-NH1 2.9Å
1316I26.7Very low26.5Very low153 Ų153142.3 Ų142.379%0.78575%0.751SS**  trans-163.8130.5131.4-108.6154.5000113.5
1317Y28.9Very low26.4Very low220 Ų220141.5 Ų141.586%0.86375%0.75SS**  trans58.8153160-79-112.4000123.4
1318A26.3Very low26.6Very low88 Ų88141.8 Ų141.873%0.72775%0.747SS**  trans-153.2152.5162.500000108.9
1319P30.8Very low26.6Very low133 Ų133142.9 Ų142.986%0.86475%0.748SS**  trans-141.3174.9132.136.2-21.1000114.5
1320T26.1Very low26.8Very low126 Ų126142.5 Ų142.577%0.77375%0.75SS**  trans-100.4164.7-170.248.50000114.3
1321I27.1Very low27Very low149 Ų149145.4 Ų145.476%0.76475%0.752SS**  180128.2121-94.2161000115.3
1322N26.3Very low27Very low123 Ų123148.5 Ų148.566%0.65876%0.758SS**  trans30.3128149.5-48-13000124.6
1323N29.9Very low27.1Very low141 Ų141146.8 Ų146.875%0.75475%0.746SS**  177.3118.7102.1-92.9-21.2000110.7
1324W23.3Very low27Very low244 Ų244141.7 Ų141.792%0.92474%0.741SS**  97.1132.978.9-95.555000114.9
1325N24Very low27.1Very low147 Ų147146.3 Ų146.379%0.78675%0.754SS**  trans-90.6-165.7-177.1-140.32.1000109.7
1326P34.8Very low27.1Very low94 Ų94150.4 Ų150.461%0.6177%0.767SS**  cis-139.7-158.7-12270.7000114.7
1327Q25.1Very low26.9Very low161 Ų161148.6 Ų148.675%0.75276%0.763SS**  trans89.6141.4154.3-58.7-154.3-48.200118.8
1328N27.8Very low26.7Very low118 Ų118144.8 Ų144.863%0.63176%0.758SS**  cis-147.4149.2-9-90-22000107.9
1329H26.2Very low26.7Very low159 Ų159151.1 Ų151.174%0.73677%0.765SS**  73.9102.556.1-96.3-80.2000117.1
1330S29.2Very low26.5Very low111 Ų111151.5 Ų151.578%0.77676%0.758SS**  trans177.7110.6135.632.60000108
1331E27.6Very low26.4Very low166 Ų166151.5 Ų151.578%0.77675%0.753SS**  84.411562.8-76.8-177.616500114.6
1332I24.4Very low26.3Very low169 Ų169150.9 Ų150.987%0.86775%0.751SS**  -175.8125.7128.9-89.3150.4000106.9
1333E27Very low26.1Very low115 Ų115152 Ų15254%0.53776%0.758SS.*  trans-151.1149.2157.4-159.8160.5-131.200111.1Q8Q8-E1333 PolarHBondContact NE2-OE1 2.82Å
1334C24Very low25.8Very low114 Ų114150.6 Ų150.677%0.7776%0.759SS**  trans-99.3128.8-177.3-72.80000111.6K1336C1334-K1336 PolarHBondContact O-N 3.21Å
1335Y27.4Very low25.8Very low245 Ų245145.5 Ų145.596%0.96176%0.76SS**  trans-80102.9166.2-91.2-86.6000111.3
1336K25.6Very low25.9Very low182 Ų182142.5 Ų142.579%0.79175%0.751SS**  trans-149.4109.5161.1-151.4176.6-175.8-177.80113.2C1334C1334-K1336 PolarHBondContact O-N 3.21Å
1337T23.1Very low25.4Very low116 Ų116148 Ų14871%0.71277%0.765SS**  trans64.6133.715647.70000121.2
1338N24Very low25.5Very low140 Ų140146.6 Ų146.675%0.74976%0.763SS**  trans7388.9148.6-59.70.1000120.6
1339Y27.3Very low25.6Very low221 Ų221150.1 Ų150.187%0.86778%0.775SS**  trans-139.4145.1137.7-84.1-96.3000107.6
1340L26Very low26.2Very low140 Ų140150.2 Ų150.273%0.73378%0.776SS**  cis174.5117.8-26.2-121.9162.2000102.8
1341L24.3Very low27.4Very low127 Ų127151.9 Ų151.967%0.66577%0.769SS**  trans-82.2156.9167.1-101.893.1000109.9
1342N24.4Very low29.4Very low135 Ų135149.8 Ų149.872%0.72276%0.759SS**  trans79.5114.5174.4-52-11.6000113.6
1343N22.9Very low32.2Very low148 Ų148144 Ų14479%0.79173%0.729SS**  cis-158.9130.146.2-94.3-31.8000113.6
1344S24.2Very low35.1Very low111 Ų111142.3 Ų142.378%0.77672%0.721SS**SBendtrans-160.375.7158.1500000113S1346S1344-S1346 PolarHBondContact O-N 3.34Å
1345S23.2Very low38.5Very low137 Ų137136.9 Ų136.996%0.95869%0.685SS**  trans37.255.7144.4-51.20000119.1
1346S25Very low41.6Very low83 Ų83126.5 Ų126.558%0.5865%0.647SS**  trans-135.4131160.9-173.60000111.3S1344 N1348S1344-S1346 PolarHBondContact O-N 3.34Å; S1346-N1348 PolarHBondContact O-N 3.03Å; S1346-N1348 PolarHBondContact OG-OD1 3.43Å
1347K24.7Very low44.8Very low209 Ų209117.8 Ų117.891%0.90961%0.609SS**  trans-80.956.7175-71-172.6175.8-1770111.3
1348N26.2Very low48.1Very low132 Ų132112.4 Ų112.471%0.70658%0.576SS**  trans-81.6123.1169.3-74.2-1.8000108.9S1346 Q1350S1346-N1348 PolarHBondContact O-N 3.03Å; S1346-N1348 PolarHBondContact OG-OD1 3.43Å; N1348-Q1350 PolarHBondContact O-N 2.94Å
1349H31.6Very low51.2Low192 Ų192107.6 Ų107.689%0.88955%0.55SS**  trans-62.2105.2173.2-75.3-85.3000109.8K1351H1349-K1351 PolarHBondContact O-N 3.32Å
1350Q37.4Very low54.1Low161 Ų16199 Ų9975%0.75253%0.528SS*.  trans-63.8107166.6-83.3-176.1-28.200108.3N1348 Q1352N1348-Q1350 PolarHBondContact O-N 2.94Å; Q1350-Q1352 PolarHBondContact O-N 2.92Å; Q1350-Q1352 VanDerWaalsContact O-N 3.09Å
1351K55.7Low57.3Low146 Ų14696.4 Ų96.464%0.63551%0.511SS*.  trans-59.9115.4175-168.2-170.1-180-162.40108.2T1247 H1349T1247-K1351 HydrophobicContact CG2-CD 3.86Å; H1349-K1351 PolarHBondContact O-N 3.32Å
1352Q68.4Low60.6Low122 Ų12292 Ų9257%0.5749%0.491SS*.  trans-64.2136.4-179.1-158.5170.724.100109.5Q1350 E1354Q1350-Q1352 PolarHBondContact O-N 2.92Å; Q1350-Q1352 VanDerWaalsContact O-N 3.09Å; Q1352-E1354 PolarHBondContact O-N 3.39Å
1353I83Confident63.9Low47 Ų4785.5 Ų85.524%0.24146%0.456CS..  trans-71128.5-178.2-62.5175.2000109.2V1240 F1355 S1364 Y1365 Q1381V1240-I1353 HydrophobicContact CG1-CG2 4.21Å; I1353-F1355 HydrophobicContact CB-CE2 4.35Å; I1353-F1355 HydrophobicContact CG2-CD2 4.22Å; I1353-F1355 HydrophobicContact CG2-CE2 3.71Å; I1353-F1355 HydrophobicContact CG2-CZ 4.01Å; I1353-S1364 WeakPolarHBondContact O-CA 3.33Å; I1353-Y1365 PolarHBondContact O-N 2.87Å; I1353-Q1381 HydrophobicContact CD1-CG 4.05Å
1354E89.4Confident67.3Low80 Ų8079.5 Ų79.537%0.37443%0.426SS..EExtended strand (participates in β ladder)trans-109.6125.6-179.4-173.3167.1-163.300108.6Q1352 V1356 S1362Q1352-E1354 PolarHBondContact O-N 3.39Å; E1354-V1356 HydrophobicContact CG-CG2 4.35Å; E1354-S1362 WeakPolarHBondContact OE1-CB 3.41Å; E1354-S1362 PolarHBondContact OE1-OG 3.02Å
1355F93.8Very high70.6Confident0 Ų077.4 Ų77.40%040%0.401CS..EExtended strand (participates in β ladder)trans-97.999.2-179.8-66.4-103.7000107.3V1240 I1353 F1357 S1362 M1363 Y1365 L1368 A1377 I1380V1240-F1355 HydrophobicContact CG2-CD1 4.09Å; V1240-F1355 HydrophobicContact CG2-CE1 4.17Å; I1353-F1355 HydrophobicContact CB-CE2 4.35Å; I1353-F1355 HydrophobicContact CG2-CD2 4.22Å; I1353-F1355 HydrophobicContact CG2-CE2 3.71Å; I1353-F1355 HydrophobicContact CG2-CZ 4.01Å; F1355-F1357 HydrophobicContact CB-CE2 4.02Å; F1355-F1357 WeakPolarHBondContact O-CD2 3.35Å; F1355-F1357 VanDerWaalsContact O-CE2 3.29Å; F1355-F1357 WeakPolarHBondContact O-CE2 3.48Å; F1355-S1362 WeakPolarHBondContact O-CA 3.33Å; F1355-M1363 WeakPolarHBondContact CB-O 3.43Å; F1355-M1363 PolarHBondContact N-O 3.39Å; F1355-M1363 PolarHBondContact O-N 3.3Å; F1355-M1363 VanDerWaalsContact O-N 3.13Å; F1355-Y1365 HydrophobicContact CE2-CD2 4.13Å; F1355-Y1365 HydrophobicContact CZ-CD2 4.27Å; F1355-L1368 HydrophobicContact CB-CD1 3.88Å; F1355-L1368 HydrophobicContact CD1-CD1 3.95Å; F1355-L1368 HydrophobicContact CD2-CD1 3.53Å; F1355-L1368 HydrophobicContact CE1-CD1 4.38Å; F1355-L1368 HydrophobicContact CE2-CD1 4.02Å; F1355-L1368 HydrophobicContact CG-CD1 3.5Å; F1355-L1368 VanDerWaalsContact CG-CD1 3.5Å; F1355-L1368 HydrophobicContact CZ-CD1 4.42Å; F1355-A1377 HydrophobicContact CE1-CB 4.18Å; F1355-A1377 HydrophobicContact CE2-CB 4.31Å; F1355-A1377 HydrophobicContact CZ-CB 3.85Å; F1355-I1380 HydrophobicContact CD1-CG2 4.1Å; F1355-I1380 HydrophobicContact CE1-CB 4.08Å; F1355-I1380 HydrophobicContact CE1-CG2 3.69Å
1356V92.9Very high73.9Confident27 Ų2776.2 Ų76.216%0.16438%0.376CS..EExtended strand (participates in β ladder)trans-85.7120.8178.1-163.10000109.8P1140 L1236 R1239 E1354P1140-V1356 HydrophobicContact CB-CG1 4.42Å; P1140-V1356 HydrophobicContact CG-CG1 3.8Å; L1236-V1356 WeakPolarHBondContact CD2-O 3.33Å; R1239-V1356 VanDerWaalsContact CZ-O 3.25Å; R1239-V1356 PolarHBondContact NE-O 2.73Å; R1239-V1356 PolarHBondContact NH2-O 3.46Å; E1354-V1356 HydrophobicContact CG-CG2 4.35Å
1357F94.4Very high77.2Confident0 Ų073.7 Ų73.70%036%0.356CS..  trans-88.1179.2-177-71.6-103000111.9P1140 F1191 I1194 L1232 L1236 F1355 N1359 G1360 K1361 M1363 L1368 W1376P1140-F1357 WeakPolarHBondContact CD-O 3.42Å; P1140-F1357 WeakPolarHBondContact CG-O 3.43Å; F1191-F1357 HydrophobicContact CD2-CZ 4.18Å; F1191-F1357 AromaticContact CE2-CE1 3.96Å; F1191-F1357 HydrophobicContact CE2-CE1 3.96Å; F1191-F1357 AromaticContact CE2-CZ 3.84Å; F1191-F1357 HydrophobicContact CE2-CZ 3.84Å; I1194-F1357 HydrophobicContact CG2-CB 3.47Å; I1194-F1357 VanDerWaalsContact CG2-CB 3.47Å; I1194-F1357 HydrophobicContact CG2-CD1 3.62Å; I1194-F1357 HydrophobicContact CG2-CD2 3.57Å; I1194-F1357 HydrophobicContact CG2-CE1 4.22Å; I1194-F1357 HydrophobicContact CG2-CE2 4.2Å; I1194-F1357 HydrophobicContact CG2-CG 3.26Å; I1194-F1357 HydrophobicContact CG2-CZ 4.49Å; L1232-F1357 HydrophobicContact CD1-CD1 4.3Å; L1236-F1357 HydrophobicContact CD1-CD1 4.13Å; L1236-F1357 HydrophobicContact CD1-CE1 3.82Å; L1236-F1357 HydrophobicContact CD1-CZ 4.32Å; L1236-F1357 HydrophobicContact CD2-CD1 4.27Å; L1236-F1357 HydrophobicContact CD2-CD2 4.43Å; L1236-F1357 HydrophobicContact CD2-CE1 4.45Å; L1236-F1357 HydrophobicContact CD2-CG 4.25Å; F1355-F1357 HydrophobicContact CB-CE2 4.02Å; F1355-F1357 WeakPolarHBondContact O-CD2 3.35Å; F1355-F1357 VanDerWaalsContact O-CE2 3.29Å; F1355-F1357 WeakPolarHBondContact O-CE2 3.48Å; F1357-N1359 WeakPolarHBondContact CB-OD1 3.24Å; F1357-G1360 PolarHBondContact O-N 3.16Å; F1357-K1361 PolarHBondContact N-O 2.98Å; F1357-M1363 HydrophobicContact CE2-CB 4.28Å; F1357-M1363 HydrophobicContact CE2-CG 4.44Å; F1357-L1368 HydrophobicContact CZ-CD2 4.31Å; F1357-W1376 HydrophobicContact CE1-CH2 4.24Å; F1357-W1376 HydrophobicContact CZ-CH2 4.44Å; F1357-W1376 HydrophobicContact CZ-CZ3 4.45Å
1358E90.6Very high80.5Confident3 Ų363.8 Ų63.81%0.01431%0.312CS..THydrogen-bonded Turntrans-73.1-30.9-170.3-55.7-61.9164.300113.2G1139 P1140 S1198 E1201 L1202 L1232 R1235 R1239 G1360G1139-E1358 VanDerWaalsContact CA-O 3.3Å; G1139-E1358 WeakPolarHBondContact CA-O 3.28Å; G1139-E1358 WeakPolarHBondContact CA-OE2 3.42Å; P1140-E1358 WeakPolarHBondContact CD-O 3.4Å; S1198-E1358 PolarHBondContact OG-N 3.05Å; E1201-E1358 HydrophobicContact CB-CB 3.75Å; E1201-E1358 HydrophobicContact CG-CB 4.36Å; L1202-E1358 HydrophobicContact CD1-CG 4.34Å; L1202-E1358 HydrophobicContact CD2-CG 3.72Å; L1202-E1358 HydrophobicContact CG-CG 3.89Å; L1232-E1358 HydrophobicContact CD1-CG 3.89Å; R1235-E1358 WeakPolarHBondContact CB-OE1 3.31Å; R1235-E1358 IonicContact CZ-OE1 2.68Å; R1235-E1358 IonicContact CZ-OE2 2.69Å; R1235-E1358 IonicContact NE-OE1 2.64Å; R1235-E1358 PolarHBondContact NE-OE1 2.8Å; R1235-E1358 IonicContact NE-OE2 3.67Å; R1235-E1358 PolarHBondContact NE-OE2 3.25Å; R1235-E1358 IonicContact NH2-OE1 3.22Å; R1235-E1358 IonicContact NH2-OE2 3.17Å; R1235-E1358 PolarHBondContact NH2-OE2 2.85Å; R1239-E1358 IonicContact CZ-OE1 3.18Å; R1239-E1358 IonicContact CZ-OE2 2.73Å; R1239-E1358 IonicContact NH1-OE1 3.33Å; R1239-E1358 PolarHBondContact NH1-OE1 3.13Å; R1239-E1358 IonicContact NH1-OE2 3.56Å; R1239-E1358 PolarHBondContact NH1-OE2 3.27Å; R1239-E1358 IonicContact NH2-OE1 2.73Å; R1239-E1358 PolarHBondContact NH2-OE1 3Å; R1239-E1358 IonicContact NH2-OE2 3.8Å; E1358-G1360 PolarHBondContact O-N 3.44Å
1359N89.7Confident83.7Confident39 Ų3960.4 Ų60.421%0.20929%0.294CS..THydrogen-bonded Turntrans-70.3-0.4168.261.5-4000113.9I1194 E1197 F1357 K1361I1194-N1359 PolarHBondContact O-ND2 3.1Å; E1197-N1359 HydrophobicContact CB-CB 3.9Å; E1197-N1359 WeakPolarHBondContact CB-ND2 3.4Å; E1197-N1359 PolarHBondContact OE2-ND2 3.3Å; F1357-N1359 WeakPolarHBondContact CB-OD1 3.24Å; N1359-K1361 WeakPolarHBondContact ND2-CD 3.4Å; N1359-K1361 PolarHBondContact O-N 3.21Å; N1359-K1361 WeakPolarHBondContact OD1-CB 3.14Å; N1359-K1361 PolarHBondContact OD1-N 3.13Å
1360G88.9Confident86.6Confident39 Ų3953.7 Ų53.740%0.40226%0.262SS..SBendtrans751.5-17600000115.1F1357 E1358F1357-G1360 PolarHBondContact O-N 3.16Å; E1358-G1360 PolarHBondContact O-N 3.44Å
1361K93Very high89.2Confident86 Ų8646.1 Ų46.137%0.37423%0.227SC..  trans-76.2155.3169.2-65-176.7-179.81650110I1194 E1197 F1357 N1359I1194-K1361 HydrophobicContact CD1-CB 4Å; I1194-K1361 HydrophobicContact CG1-CB 3.92Å; I1194-K1361 HydrophobicContact CG1-CD 3.84Å; I1194-K1361 HydrophobicContact CG2-CB 4.43Å; E1197-K1361 IonicContact OE1-NZ 3.85Å; E1197-K1361 PolarHBondContact OE1-NZ 3.08Å; E1197-K1361 WeakPolarHBondContact OE2-CD 3.46Å; E1197-K1361 WeakPolarHBondContact OE2-CE 3.42Å; E1197-K1361 IonicContact OE2-NZ 3.86Å; E1197-K1361 PolarHBondContact OE2-NZ 3.21Å; F1357-K1361 PolarHBondContact N-O 2.98Å; N1359-K1361 WeakPolarHBondContact ND2-CD 3.4Å; N1359-K1361 PolarHBondContact O-N 3.21Å; N1359-K1361 WeakPolarHBondContact OD1-CB 3.14Å; N1359-K1361 PolarHBondContact OD1-N 3.13Å
1362S92.9Very high90.9Very high34 Ų3440.6 Ų40.624%0.23821%0.212CC..EExtended strand (participates in β ladder)trans-127.3156.1-178.261.40000114.1K1190 E1354 F1355K1190-S1362 WeakPolarHBondContact CE-O 3.45Å; K1190-S1362 PolarHBondContact NZ-O 3.15Å; E1354-S1362 WeakPolarHBondContact OE1-CB 3.41Å; E1354-S1362 PolarHBondContact OE1-OG 3.02Å; F1355-S1362 WeakPolarHBondContact O-CA 3.33Å
1363M94.4Very high92.1Very high0 Ų034.8 Ų34.80%019%0.185CC..EExtended strand (participates in β ladder)trans-135135.2165.4-68.3-178.272.200109.4K1190 F1191 I1194 F1355 F1357 E1367 L1368K1190-M1363 HydrophobicContact CD-CE 4.43Å; K1190-M1363 HydrophobicContact CD-CG 4.22Å; K1190-M1363 HydrophobicContact CD-SD 4.48Å; K1190-M1363 HydrophobicContact CG-SD 4.34Å; F1191-M1363 HydrophobicContact CB-CE 4.06Å; F1191-M1363 HydrophobicContact CB-SD 3.82Å; F1191-M1363 HydrophobicContact CD2-SD 3.9Å; F1191-M1363 HydrophobicContact CG-SD 4.37Å; I1194-M1363 HydrophobicContact CD1-CG 3.79Å; I1194-M1363 HydrophobicContact CD1-SD 3.98Å; F1355-M1363 WeakPolarHBondContact CB-O 3.43Å; F1355-M1363 PolarHBondContact N-O 3.39Å; F1355-M1363 PolarHBondContact O-N 3.3Å; F1355-M1363 VanDerWaalsContact O-N 3.13Å; F1357-M1363 HydrophobicContact CE2-CB 4.28Å; F1357-M1363 HydrophobicContact CE2-CG 4.44Å; M1363-E1367 WeakPolarHBondContact CA-OE2 2.95Å; M1363-E1367 HydrophobicContact CB-CB 4.2Å; M1363-E1367 HydrophobicContact CE-CB 3.69Å; M1363-L1368 HydrophobicContact CB-CD2 4.05Å; M1363-L1368 HydrophobicContact CB-CG 4.02Å; M1363-L1368 HydrophobicContact CE-CD2 3.98Å; M1363-L1368 HydrophobicContact SD-CD2 3.85Å
1364S93.9Very high92.6Very high21 Ų2132.7 Ų32.715%0.14717%0.174CC..EExtended strand (participates in β ladder)trans-70.5161.2170.4690000111.5I1353 Y1366 E1367 L1368I1353-S1364 WeakPolarHBondContact O-CA 3.33Å; S1364-Y1366 PolarHBondContact O-N 2.96Å; S1364-Y1366 VanDerWaalsContact O-N 3.13Å; S1364-E1367 PolarHBondContact N-OE2 3.49Å; S1364-E1367 PolarHBondContact O-N 3.06Å; S1364-E1367 WeakPolarHBondContact OG-CG 3.31Å; S1364-E1367 PolarHBondContact OG-N 3.48Å; S1364-E1367 PolarHBondContact OG-OE2 3.35Å; S1364-L1368 PolarHBondContact O-N 2.9Å
1365Y93.6Very high92.8Very high68 Ų6834.1 Ų34.127%0.26719%0.185SC..Hα-helixtrans-50.8-36171.2-176.7-96000113I1353 F1355 L1368 L1369 A1377 N1378I1353-Y1365 PolarHBondContact O-N 2.87Å; F1355-Y1365 HydrophobicContact CE2-CD2 4.13Å; F1355-Y1365 HydrophobicContact CZ-CD2 4.27Å; Y1365-L1368 PolarHBondContact O-N 2.97Å; Y1365-L1369 WeakPolarHBondContact O-CB 3.33Å; Y1365-L1369 PolarHBondContact O-N 3.09Å; Y1365-A1377 HydrophobicContact CD2-CB 3.97Å; Y1365-A1377 HydrophobicContact CE2-CB 4.02Å; Y1365-N1378 HydrophobicContact CE2-CB 4.24Å
1366Y92.4Very high92.9Very high111 Ų11134.1 Ų34.144%0.43519%0.185SC..Hα-helixtrans-68.2-39.6178.8176.4-97.8000112.5S1364 L1369 K1370S1364-Y1366 PolarHBondContact O-N 2.96Å; S1364-Y1366 VanDerWaalsContact O-N 3.13Å; Y1366-L1369 PolarHBondContact O-N 3.4Å; Y1366-K1370 HydrophobicContact CD1-CG 4.39Å; Y1366-K1370 HydrophobicContact CE1-CG 3.91Å; Y1366-K1370 HydrophobicContact CE2-CG 4.11Å; Y1366-K1370 WeakPolarHBondContact O-CB 3.45Å; Y1366-K1370 WeakPolarHBondContact O-CG 3.22Å; Y1366-K1370 PolarHBondContact O-N 3.08Å; Y1366-K1370 VanDerWaalsContact OH-CE 3.24Å; Y1366-K1370 WeakPolarHBondContact OH-CE 3.44Å
1367E94.3Very high93Very high31 Ų3132.9 Ų32.915%0.14518%0.177CC..Hα-helixtrans-69.5-36.6175.9-63.3176.691.700111.9Y1187 K1190 M1363 S1364 K1370 S1371Y1187-E1367 HydrophobicContact CD1-CB 3.82Å; Y1187-E1367 HydrophobicContact CD1-CG 3.66Å; Y1187-E1367 HydrophobicContact CE1-CB 4.24Å; Y1187-E1367 HydrophobicContact CE1-CG 3.55Å; Y1187-E1367 WeakPolarHBondContact CE1-OE1 3.49Å; Y1187-E1367 HydrophobicContact CG-CB 4.4Å; K1190-E1367 IonicContact NZ-OE1 2.73Å; K1190-E1367 PolarHBondContact NZ-OE1 3.17Å; K1190-E1367 IonicContact NZ-OE2 2.66Å; K1190-E1367 PolarHBondContact NZ-OE2 3.38Å; M1363-E1367 WeakPolarHBondContact CA-OE2 2.95Å; M1363-E1367 HydrophobicContact CB-CB 4.2Å; M1363-E1367 HydrophobicContact CE-CB 3.69Å; S1364-E1367 PolarHBondContact N-OE2 3.49Å; S1364-E1367 PolarHBondContact O-N 3.06Å; S1364-E1367 WeakPolarHBondContact OG-CG 3.31Å; S1364-E1367 PolarHBondContact OG-N 3.48Å; S1364-E1367 PolarHBondContact OG-OE2 3.35Å; E1367-K1370 PolarHBondContact O-N 3.33Å; E1367-S1371 WeakPolarHBondContact O-CB 3.48Å; E1367-S1371 PolarHBondContact O-N 3.45Å; E1367-S1371 PolarHBondContact O-OG 3.49Å
1368L94.1Very high93Very high0 Ų035.7 Ų35.70%019%0.192CC..Hα-helixtrans-67-38.1172.2-68.4180000111.7F1191 F1355 F1357 M1363 S1364 Y1365 S1371 G1372 F1373 G1374 A1377F1191-L1368 HydrophobicContact CD2-CD2 3.61Å; F1191-L1368 HydrophobicContact CE2-CD2 3.9Å; F1355-L1368 HydrophobicContact CB-CD1 3.88Å; F1355-L1368 HydrophobicContact CD1-CD1 3.95Å; F1355-L1368 HydrophobicContact CD2-CD1 3.53Å; F1355-L1368 HydrophobicContact CE1-CD1 4.38Å; F1355-L1368 HydrophobicContact CE2-CD1 4.02Å; F1355-L1368 HydrophobicContact CG-CD1 3.5Å; F1355-L1368 VanDerWaalsContact CG-CD1 3.5Å; F1355-L1368 HydrophobicContact CZ-CD1 4.42Å; F1357-L1368 HydrophobicContact CZ-CD2 4.31Å; M1363-L1368 HydrophobicContact CB-CD2 4.05Å; M1363-L1368 HydrophobicContact CB-CG 4.02Å; M1363-L1368 HydrophobicContact CE-CD2 3.98Å; M1363-L1368 HydrophobicContact SD-CD2 3.85Å; S1364-L1368 PolarHBondContact O-N 2.9Å; Y1365-L1368 PolarHBondContact O-N 2.97Å; L1368-S1371 WeakPolarHBondContact CA-OG 2.85Å; L1368-S1371 PolarHBondContact O-OG 3.39Å; L1368-S1371 VanDerWaalsContact O-OG 3.14Å; L1368-G1372 PolarHBondContact O-N 2.83Å; L1368-F1373 HydrophobicContact CD2-CB 4.41Å; L1368-F1373 CarbonylContact O-C 3.35Å; L1368-F1373 WeakPolarHBondContact O-CA 3.43Å; L1368-F1373 PolarHBondContact O-N 3.37Å; L1368-G1374 PolarHBondContact O-N 3.48Å; L1368-A1377 HydrophobicContact CB-CB 3.93Å; L1368-A1377 HydrophobicContact CD1-CB 3.69Å; L1368-A1377 HydrophobicContact CG-CB 4.47Å
1369L93.2Very high93.2Very high61 Ų6137.6 Ų37.632%0.31920%0.201SC..Hα-helixtrans-61.9-48.5172-175.964.3000111.4Y1365 Y1366 S1371 G1372Y1365-L1369 WeakPolarHBondContact O-CB 3.33Å; Y1365-L1369 PolarHBondContact O-N 3.09Å; Y1366-L1369 PolarHBondContact O-N 3.4Å; L1369-S1371 VanDerWaalsContact C-N 3.33Å; L1369-S1371 PolarHBondContact O-N 3.14Å; L1369-G1372 PolarHBondContact O-N 3.08Å; L1369-G1372 VanDerWaalsContact O-N 3.11Å
1370K92.4Very high93.5Very high51 Ų5135.7 Ų35.722%0.22219%0.191CC..Hα-helixtrans-68.2-26.4-179.8-76.6-62-167.8175.60114.7I1183 D1184 Y1187 Y1366 E1367 G1372I1183-K1370 WeakPolarHBondContact CA-O 3.46Å; D1184-K1370 HydrophobicContact CB-CB 4.28Å; D1184-K1370 PolarHBondContact N-O 2.95Å; Y1187-K1370 HydrophobicContact CD2-CB 3.84Å; Y1187-K1370 HydrophobicContact CE2-CB 4.5Å; Y1187-K1370 HydrophobicContact CG-CB 4.41Å; Y1366-K1370 HydrophobicContact CD1-CG 4.39Å; Y1366-K1370 HydrophobicContact CE1-CG 3.91Å; Y1366-K1370 HydrophobicContact CE2-CG 4.11Å; Y1366-K1370 WeakPolarHBondContact O-CB 3.45Å; Y1366-K1370 WeakPolarHBondContact O-CG 3.22Å; Y1366-K1370 PolarHBondContact O-N 3.08Å; Y1366-K1370 VanDerWaalsContact OH-CE 3.24Å; Y1366-K1370 WeakPolarHBondContact OH-CE 3.44Å; E1367-K1370 PolarHBondContact O-N 3.33Å; K1370-G1372 VanDerWaalsContact C-N 3.27Å; K1370-G1372 PolarHBondContact O-N 3.29Å
1371S91.9Very high93.7Very high2 Ų237 Ų371%0.01419%0.186CC..THydrogen-bonded Turntrans-82.40.5172.449.20000114.3T1188 E1367 L1368 L1369 F1373T1188-S1371 WeakPolarHBondContact OG1-CA 3.32Å; T1188-S1371 PolarHBondContact OG1-O 3.38Å; E1367-S1371 WeakPolarHBondContact O-CB 3.48Å; E1367-S1371 PolarHBondContact O-N 3.45Å; E1367-S1371 PolarHBondContact O-OG 3.49Å; L1368-S1371 WeakPolarHBondContact CA-OG 2.85Å; L1368-S1371 PolarHBondContact O-OG 3.39Å; L1368-S1371 VanDerWaalsContact O-OG 3.14Å; L1369-S1371 VanDerWaalsContact C-N 3.33Å; L1369-S1371 PolarHBondContact O-N 3.14Å; S1371-F1373 VanDerWaalsContact O-CD2 3.25Å; S1371-F1373 WeakPolarHBondContact O-CD2 3.4Å; S1371-F1373 WeakPolarHBondContact O-CE2 3.46Å
1372G91.1Very high93.8Very high30 Ų3036.7 Ų36.731%0.30919%0.186SC..THydrogen-bonded Turntrans882.3-179.700000115.1L1368 L1369 K1370L1368-G1372 PolarHBondContact O-N 2.83Å; L1369-G1372 PolarHBondContact O-N 3.08Å; L1369-G1372 VanDerWaalsContact O-N 3.11Å; K1370-G1372 VanDerWaalsContact C-N 3.27Å; K1370-G1372 PolarHBondContact O-N 3.29Å
1373F94.4Very high93.9Very high1 Ų135.3 Ų35.30%0.00418%0.176CC..  trans-97.63.7-177.6-66.4-84.9000114.1F1191 L1368 S1371 N1375 W1376 A1377 L1519 P1522 L1523 L1526F1191-F1373 HydrophobicContact CB-CE2 4.41Å; F1191-F1373 HydrophobicContact CD1-CD1 4.38Å; F1191-F1373 AromaticContact CD1-CD2 3.75Å; F1191-F1373 HydrophobicContact CD1-CD2 3.75Å; F1191-F1373 AromaticContact CD1-CE1 3.98Å; F1191-F1373 HydrophobicContact CD1-CE1 3.98Å; F1191-F1373 AromaticContact CD1-CE2 3.3Å; F1191-F1373 HydrophobicContact CD1-CE2 3.3Å; F1191-F1373 HydrophobicContact CD1-CG 4.28Å; F1191-F1373 AromaticContact CD1-CZ 3.44Å; F1191-F1373 HydrophobicContact CD1-CZ 3.44Å; F1191-F1373 VanDerWaalsContact CD1-CZ 3.44Å; F1191-F1373 HydrophobicContact CD2-CD2 4.34Å; F1191-F1373 AromaticContact CE1-CD1 3.77Å; F1191-F1373 HydrophobicContact CE1-CD1 3.77Å; F1191-F1373 AromaticContact CE1-CD2 3.99Å; F1191-F1373 HydrophobicContact CE1-CD2 3.99Å; F1191-F1373 AromaticContact CE1-CE1 3.36Å; F1191-F1373 HydrophobicContact CE1-CE1 3.36Å; F1191-F1373 AromaticContact CE1-CE2 3.63Å; F1191-F1373 HydrophobicContact CE1-CE2 3.63Å; F1191-F1373 HydrophobicContact CE1-CG 4.07Å; F1191-F1373 AromaticContact CE1-CZ 3.3Å; F1191-F1373 HydrophobicContact CE1-CZ 3.3Å; F1191-F1373 HydrophobicContact CE2-CD1 4.48Å; F1191-F1373 HydrophobicContact CE2-CG 4.34Å; F1191-F1373 AromaticContact CG-CD2 3.93Å; F1191-F1373 HydrophobicContact CG-CD2 3.93Å; F1191-F1373 AromaticContact CG-CE2 3.9Å; F1191-F1373 HydrophobicContact CG-CE2 3.9Å; F1191-F1373 HydrophobicContact CG-CZ 4.42Å; F1191-F1373 AromaticContact CZ-CD1 3.83Å; F1191-F1373 HydrophobicContact CZ-CD1 3.83Å; F1191-F1373 HydrophobicContact CZ-CD2 4.38Å; F1191-F1373 AromaticContact CZ-CE1 3.87Å; F1191-F1373 HydrophobicContact CZ-CE1 3.87Å; F1191-F1373 HydrophobicContact CZ-CE2 4.44Å; F1191-F1373 HydrophobicContact CZ-CG 4.09Å; F1191-F1373 HydrophobicContact CZ-CZ 4.2Å; L1368-F1373 HydrophobicContact CD2-CB 4.41Å; L1368-F1373 CarbonylContact O-C 3.35Å; L1368-F1373 WeakPolarHBondContact O-CA 3.43Å; L1368-F1373 PolarHBondContact O-N 3.37Å; S1371-F1373 VanDerWaalsContact O-CD2 3.25Å; S1371-F1373 WeakPolarHBondContact O-CD2 3.4Å; S1371-F1373 WeakPolarHBondContact O-CE2 3.46Å; F1373-N1375 VanDerWaalsContact C-N 3.27Å; F1373-N1375 PolarHBondContact O-N 2.9Å; F1373-W1376 HydrophobicContact CB-CE3 4.37Å; F1373-W1376 PolarHBondContact O-N 2.99Å; F1373-A1377 PolarHBondContact O-N 3.4Å; F1373-L1519 HydrophobicContact CD1-CD1 3.49Å; F1373-L1519 VanDerWaalsContact CD1-CD1 3.49Å; F1373-L1519 HydrophobicContact CE1-CD1 3.59Å; F1373-P1522 HydrophobicContact CD1-CB 3.83Å; F1373-P1522 HydrophobicContact CD1-CG 4.45Å; F1373-P1522 HydrophobicContact CE1-CB 3.41Å; F1373-P1522 VanDerWaalsContact CE1-CB 3.41Å; F1373-P1522 HydrophobicContact CE1-CG 4.42Å; F1373-P1522 HydrophobicContact CZ-CB 3.84Å; F1373-L1523 HydrophobicContact CE1-CD2 4.02Å; F1373-L1523 HydrophobicContact CE1-CG 4.25Å; F1373-L1523 HydrophobicContact CZ-CD2 4.03Å; F1373-L1526 HydrophobicContact CE2-CD1 3.93Å; F1373-L1526 HydrophobicContact CZ-CD1 3.72Å
1374G92.3Very high93.9Very high2 Ų235.3 Ų35.32%0.02118%0.176CC..Hα-helixtrans-55.9-34.6-175.600000114.9L1368 A1377 N1378L1368-G1374 PolarHBondContact O-N 3.48Å; G1374-A1377 PolarHBondContact O-N 2.9Å; G1374-N1378 WeakPolarHBondContact O-CB 3.37Å; G1374-N1378 PolarHBondContact O-N 3.03Å
1375N93.8Very high93.7Very high111 Ų11137.8 Ų37.859%0.59419%0.188SC*.Hα-helixtrans-64.8-44175.7-73.5-18.4000111.9F1373 N1378 Q1379 Y1518F1373-N1375 VanDerWaalsContact C-N 3.27Å; F1373-N1375 PolarHBondContact O-N 2.9Å; N1375-N1378 PolarHBondContact O-N 3.49Å; N1375-Q1379 WeakPolarHBondContact O-CG 3.29Å; N1375-Q1379 PolarHBondContact O-N 2.88Å; N1375-Q1379 VanDerWaalsContact O-N 3.15Å; N1375-Y1518 HydrophobicContact CB-CD1 4.11Å
1376W95.8Very high93.7Very high0 Ų039.2 Ų39.20%020%0.197CC..Hα-helixtrans-65.6-42.5173.4171.179.4000111.1F1191 S1233 L1236 F1357 F1373 N1378 Q1379 I1380 L1519F1191-W1376 HydrophobicContact CE2-CH2 4.31Å; F1191-W1376 AromaticContact CE2-CZ3 3.84Å; F1191-W1376 HydrophobicContact CE2-CZ3 3.84Å; F1191-W1376 HydrophobicContact CZ-CH2 4.43Å; F1191-W1376 HydrophobicContact CZ-CZ3 4.14Å; S1233-W1376 PolarHBondContact OG-NE1 3.1Å; L1236-W1376 HydrophobicContact CD1-CH2 3.4Å; L1236-W1376 VanDerWaalsContact CD1-CH2 3.4Å; L1236-W1376 HydrophobicContact CD1-CZ2 3.8Å; L1236-W1376 HydrophobicContact CD1-CZ3 4.43Å; F1357-W1376 HydrophobicContact CE1-CH2 4.24Å; F1357-W1376 HydrophobicContact CZ-CH2 4.44Å; F1357-W1376 HydrophobicContact CZ-CZ3 4.45Å; F1373-W1376 HydrophobicContact CB-CE3 4.37Å; F1373-W1376 PolarHBondContact O-N 2.99Å; W1376-N1378 VanDerWaalsContact C-N 3.31Å; W1376-N1378 PolarHBondContact O-N 3.31Å; W1376-Q1379 PolarHBondContact O-N 2.88Å; W1376-Q1379 VanDerWaalsContact O-N 3.07Å; W1376-I1380 HydrophobicContact CD2-CG1 4.01Å; W1376-I1380 HydrophobicContact CG-CG1 4.35Å; W1376-I1380 HydrophobicContact CZ2-CD1 3.99Å; W1376-I1380 HydrophobicContact CZ2-CG1 4.18Å; W1376-I1380 VanDerWaalsContact O-CG1 3.26Å; W1376-I1380 WeakPolarHBondContact O-CG1 3.4Å; W1376-I1380 PolarHBondContact O-N 3.04Å; W1376-L1519 HydrophobicContact CB-CD1 4.47Å; W1376-L1519 HydrophobicContact CD2-CD1 3.86Å; W1376-L1519 HydrophobicContact CE3-CD1 4.26Å; W1376-L1519 HydrophobicContact CG-CB 4.4Å; W1376-L1519 HydrophobicContact CG-CD1 3.97Å; W1376-L1519 HydrophobicContact CZ2-CD2 4.14Å
1377A95.2Very high93.8Very high0 Ų034 Ų340%018%0.176CC..Hα-helixtrans-58.5-40176.700000113.1F1355 Y1365 L1368 F1373 G1374 I1380 Q1381F1355-A1377 HydrophobicContact CE1-CB 4.18Å; F1355-A1377 HydrophobicContact CE2-CB 4.31Å; F1355-A1377 HydrophobicContact CZ-CB 3.85Å; Y1365-A1377 HydrophobicContact CD2-CB 3.97Å; Y1365-A1377 HydrophobicContact CE2-CB 4.02Å; L1368-A1377 HydrophobicContact CB-CB 3.93Å; L1368-A1377 HydrophobicContact CD1-CB 3.69Å; L1368-A1377 HydrophobicContact CG-CB 4.47Å; F1373-A1377 PolarHBondContact O-N 3.4Å; G1374-A1377 PolarHBondContact O-N 2.9Å; A1377-I1380 PolarHBondContact O-N 3.1Å; A1377-Q1381 PolarHBondContact O-N 3.36Å; A1377-Q1381 VanDerWaalsContact O-N 3.17Å
1378N94.3Very high93.6Very high59 Ų5935 Ų3532%0.31618%0.18SC..Hα-helixtrans-64.1-43.5173.5-175.6-9.4000111.4Y1365 G1374 N1375 W1376 Q1381 Q1382Y1365-N1378 HydrophobicContact CE2-CB 4.24Å; G1374-N1378 WeakPolarHBondContact O-CB 3.37Å; G1374-N1378 PolarHBondContact O-N 3.03Å; N1375-N1378 PolarHBondContact O-N 3.49Å; W1376-N1378 VanDerWaalsContact C-N 3.31Å; W1376-N1378 PolarHBondContact O-N 3.31Å; N1378-Q1381 WeakPolarHBondContact O-CB 3.41Å; N1378-Q1381 PolarHBondContact O-N 3.38Å; N1378-Q1381 VanDerWaalsContact O-N 3.15Å; N1378-Q1382 WeakPolarHBondContact O-CG 3.46Å; N1378-Q1382 PolarHBondContact O-N 2.79Å; N1378-Q1382 PolarHBondContact OD1-NE2 3.48Å
1379Q96.2Very high93.4Very high43 Ų4340.3 Ų40.320%0.20121%0.208CC..Hα-helixtrans-67.1-36.6177.4-66-67.4-17.200112.7N1375 W1376 Q1381 Q1382 L1383 M1514 Y1518N1375-Q1379 WeakPolarHBondContact O-CG 3.29Å; N1375-Q1379 PolarHBondContact O-N 2.88Å; N1375-Q1379 VanDerWaalsContact O-N 3.15Å; W1376-Q1379 PolarHBondContact O-N 2.88Å; W1376-Q1379 VanDerWaalsContact O-N 3.07Å; Q1379-Q1381 VanDerWaalsContact C-N 3.28Å; Q1379-Q1381 PolarHBondContact O-N 2.89Å; Q1379-Q1382 PolarHBondContact O-N 3.18Å; Q1379-Q1382 VanDerWaalsContact O-N 3.16Å; Q1379-L1383 WeakPolarHBondContact O-CB 3.36Å; Q1379-L1383 PolarHBondContact O-N 3.27Å; Q1379-M1514 HydrophobicContact CB-CG 3.78Å; Q1379-M1514 HydrophobicContact CB-SD 3.81Å; Q1379-Y1518 HydrophobicContact CB-CD2 4.33Å; Q1379-Y1518 HydrophobicContact CG-CD1 4.23Å; Q1379-Y1518 HydrophobicContact CG-CD2 3.7Å; Q1379-Y1518 HydrophobicContact CG-CE1 4.19Å; Q1379-Y1518 HydrophobicContact CG-CE2 3.65Å; Q1379-Y1518 HydrophobicContact CG-CG 3.99Å; Q1379-Y1518 PolarHBondContact NE2-OH 3.04Å
1380I95.9Very high93.4Very high0 Ų038.2 Ų38.20%020%0.197CC..Hα-helixtrans-57.5-40.4170.2-67.1-76.9000111S1233 L1236 A1237 V1240 F1355 W1376 A1377 S1384 M1514S1233-I1380 WeakPolarHBondContact O-CD1 3.44Å; L1236-I1380 HydrophobicContact CB-CD1 4.43Å; L1236-I1380 HydrophobicContact CB-CG2 4.21Å; A1237-I1380 HydrophobicContact CB-CG2 4.09Å; V1240-I1380 HydrophobicContact CG2-CG2 4.5Å; F1355-I1380 HydrophobicContact CD1-CG2 4.1Å; F1355-I1380 HydrophobicContact CE1-CB 4.08Å; F1355-I1380 HydrophobicContact CE1-CG2 3.69Å; W1376-I1380 HydrophobicContact CD2-CG1 4.01Å; W1376-I1380 HydrophobicContact CG-CG1 4.35Å; W1376-I1380 HydrophobicContact CZ2-CD1 3.99Å; W1376-I1380 HydrophobicContact CZ2-CG1 4.18Å; W1376-I1380 VanDerWaalsContact O-CG1 3.26Å; W1376-I1380 WeakPolarHBondContact O-CG1 3.4Å; W1376-I1380 PolarHBondContact O-N 3.04Å; A1377-I1380 PolarHBondContact O-N 3.1Å; I1380-S1384 WeakPolarHBondContact O-CB 3.32Å; I1380-S1384 PolarHBondContact O-N 3.18Å; I1380-M1514 HydrophobicContact CD1-CE 3.77Å; I1380-M1514 HydrophobicContact CG1-CE 4.46Å
1381Q93.5Very high93.2Very high65 Ų6535.8 Ų35.830%0.30419%0.187SC..Hα-helixtrans-72.5-31.8176.2-171.6-172.4-10.500113.1I1353 A1377 N1378 Q1379 S1384 N1385I1353-Q1381 HydrophobicContact CD1-CG 4.05Å; A1377-Q1381 PolarHBondContact O-N 3.36Å; A1377-Q1381 VanDerWaalsContact O-N 3.17Å; N1378-Q1381 WeakPolarHBondContact O-CB 3.41Å; N1378-Q1381 PolarHBondContact O-N 3.38Å; N1378-Q1381 VanDerWaalsContact O-N 3.15Å; Q1379-Q1381 VanDerWaalsContact C-N 3.28Å; Q1379-Q1381 PolarHBondContact O-N 2.89Å; Q1381-S1384 WeakPolarHBondContact CA-OG 3.34Å; Q1381-S1384 PolarHBondContact O-OG 3.19Å; Q1381-N1385 PolarHBondContact O-N 3.2Å; Q1381-N1385 PolarHBondContact O-ND2 2.95Å; Q1381-N1385 VanDerWaalsContact O-ND2 3.12Å
1382Q93.4Very high92.8Very high81 Ų8137.6 Ų37.638%0.37920%0.195SC..Hα-helixtrans-69.9-44.4172.6-69177.649.400110.7N1378 Q1379 N1385 Q1386N1378-Q1382 WeakPolarHBondContact O-CG 3.46Å; N1378-Q1382 PolarHBondContact O-N 2.79Å; N1378-Q1382 PolarHBondContact OD1-NE2 3.48Å; Q1379-Q1382 PolarHBondContact O-N 3.18Å; Q1379-Q1382 VanDerWaalsContact O-N 3.16Å; Q1382-N1385 PolarHBondContact O-N 3.34Å; Q1382-Q1386 WeakPolarHBondContact O-CG 3.29Å; Q1382-Q1386 PolarHBondContact O-N 2.88Å; Q1382-Q1386 VanDerWaalsContact O-N 3.09Å
1383L95.2Very high92.3Very high4 Ų440.8 Ų40.82%0.02121%0.205CC..Hα-helixtrans-62-40.3174.1178.764.9000112A1237 Q1379 N1385 Q1386 L1387 I1511 M1514A1237-L1383 HydrophobicContact CB-CB 4.17Å; A1237-L1383 HydrophobicContact CB-CD2 3.62Å; A1237-L1383 HydrophobicContact CB-CG 3.8Å; Q1379-L1383 WeakPolarHBondContact O-CB 3.36Å; Q1379-L1383 PolarHBondContact O-N 3.27Å; L1383-N1385 VanDerWaalsContact C-N 3.3Å; L1383-N1385 PolarHBondContact O-N 2.84Å; L1383-Q1386 PolarHBondContact O-N 3.1Å; L1383-L1387 HydrophobicContact CD1-CD1 4.15Å; L1383-L1387 HydrophobicContact CD1-CD2 4.44Å; L1383-L1387 HydrophobicContact CD1-CG 3.98Å; L1383-L1387 HydrophobicContact CD2-CD1 4.45Å; L1383-L1387 HydrophobicContact CG-CD1 3.91Å; L1383-L1387 HydrophobicContact CG-CG 4.19Å; L1383-L1387 WeakPolarHBondContact O-CB 3.42Å; L1383-L1387 WeakPolarHBondContact O-CG 3.41Å; L1383-L1387 PolarHBondContact O-N 3.01Å; L1383-I1511 HydrophobicContact CD1-CG1 4.18Å; L1383-I1511 HydrophobicContact CD2-CG1 3.81Å; L1383-M1514 HydrophobicContact CB-SD 4.11Å; L1383-M1514 HydrophobicContact CD2-CE 3.78Å; L1383-M1514 HydrophobicContact CD2-SD 3.89Å
1384S94.3Very high92.1Very high1 Ų140.9 Ų40.91%0.00721%0.205CC..Hα-helixtrans-58.9-43.4177.970.50000111.6A1237 A1241 I1380 Q1381 K1388A1237-S1384 WeakPolarHBondContact O-CA 3.36Å; A1237-S1384 WeakPolarHBondContact O-CB 3.3Å; A1241-S1384 WeakPolarHBondContact CB-O 3.41Å; I1380-S1384 WeakPolarHBondContact O-CB 3.32Å; I1380-S1384 PolarHBondContact O-N 3.18Å; Q1381-S1384 WeakPolarHBondContact CA-OG 3.34Å; Q1381-S1384 PolarHBondContact O-OG 3.19Å; S1384-K1388 VanDerWaalsContact O-CB 3.31Å; S1384-K1388 WeakPolarHBondContact O-CB 3.41Å; S1384-K1388 PolarHBondContact O-N 2.94Å
1385N91.3Very high92.1Very high73 Ų7344.4 Ų44.439%0.3922%0.219SC..Hα-helixtrans-67-40.7176.8-68.7-31.1000112.2Q1381 Q1382 L1383 L1389Q1381-N1385 PolarHBondContact O-N 3.2Å; Q1381-N1385 PolarHBondContact O-ND2 2.95Å; Q1381-N1385 VanDerWaalsContact O-ND2 3.12Å; Q1382-N1385 PolarHBondContact O-N 3.34Å; L1383-N1385 VanDerWaalsContact C-N 3.3Å; L1383-N1385 PolarHBondContact O-N 2.84Å; N1385-L1389 WeakPolarHBondContact O-CB 3.41Å; N1385-L1389 WeakPolarHBondContact O-CG 3.44Å; N1385-L1389 PolarHBondContact O-N 3.27Å; N1385-L1389 VanDerWaalsContact O-N 3.09Å
1386Q92.8Very high92Very high98 Ų9841.5 Ų41.546%0.45820%0.203SC..Hα-helixtrans-62.9-47.5175-70.5179.814.200112Q1382 L1383 K1388 L1389 L1390Q1382-Q1386 WeakPolarHBondContact O-CG 3.29Å; Q1382-Q1386 PolarHBondContact O-N 2.88Å; Q1382-Q1386 VanDerWaalsContact O-N 3.09Å; L1383-Q1386 PolarHBondContact O-N 3.1Å; Q1386-K1388 PolarHBondContact O-N 3.5Å; Q1386-L1389 PolarHBondContact O-N 3.41Å; Q1386-L1390 WeakPolarHBondContact O-CB 3.43Å; Q1386-L1390 PolarHBondContact O-N 2.86Å
1387L93.9Very high91.9Very high0 Ų041.5 Ų41.50%020%0.203CC..Hα-helixtrans-60.9-45177.7-70.8173.8000111.3F1234 A1237 W1238 L1383 L1390 I1391 Q1507F1234-L1387 HydrophobicContact CD2-CD1 3.88Å; F1234-L1387 HydrophobicContact CE2-CD1 3.74Å; F1234-L1387 HydrophobicContact CE2-CD2 4.01Å; A1237-L1387 HydrophobicContact CB-CD1 4.09Å; W1238-L1387 HydrophobicContact CE3-CB 4.01Å; W1238-L1387 HydrophobicContact CZ3-CB 4.1Å; L1383-L1387 HydrophobicContact CD1-CD1 4.15Å; L1383-L1387 HydrophobicContact CD1-CD2 4.44Å; L1383-L1387 HydrophobicContact CD1-CG 3.98Å; L1383-L1387 HydrophobicContact CD2-CD1 4.45Å; L1383-L1387 HydrophobicContact CG-CD1 3.91Å; L1383-L1387 HydrophobicContact CG-CG 4.19Å; L1383-L1387 WeakPolarHBondContact O-CB 3.42Å; L1383-L1387 WeakPolarHBondContact O-CG 3.41Å; L1383-L1387 PolarHBondContact O-N 3.01Å; L1387-L1390 PolarHBondContact O-N 3.16Å; L1387-I1391 HydrophobicContact CD2-CD1 4.01Å; L1387-I1391 VanDerWaalsContact O-CB 3.28Å; L1387-I1391 WeakPolarHBondContact O-CB 3.45Å; L1387-I1391 PolarHBondContact O-N 3.36Å; L1387-Q1507 HydrophobicContact CD2-CB 4.4Å; L1387-Q1507 HydrophobicContact CD2-CG 4.08Å
1388K91Very high91.8Very high53 Ų5341.5 Ų41.523%0.2320%0.203CC..Hα-helixtrans-57.7-52.8178.2-164.1-179.7-169.1-176.50112A1241 T1244 E1245 S1384 Q1386 L1390 Q1392A1241-K1388 HydrophobicContact CB-CB 4.2Å; T1244-K1388 PolarHBondContact OG1-NZ 3.42Å; E1245-K1388 WeakPolarHBondContact OE1-CE 3.5Å; E1245-K1388 IonicContact OE1-NZ 3.84Å; S1384-K1388 VanDerWaalsContact O-CB 3.31Å; S1384-K1388 WeakPolarHBondContact O-CB 3.41Å; S1384-K1388 PolarHBondContact O-N 2.94Å; Q1386-K1388 PolarHBondContact O-N 3.5Å; K1388-L1390 VanDerWaalsContact C-N 3.32Å; K1388-L1390 PolarHBondContact O-N 3.26Å; K1388-Q1392 PolarHBondContact O-N 3.03Å
1389L90.2Very high91.8Very high112 Ų11240.6 Ų40.659%0.58620%0.195SC*.Hα-helixtrans-64.3-34.6179.8-71.5171.7000113N1385 Q1386 Q1392N1385-L1389 WeakPolarHBondContact O-CB 3.41Å; N1385-L1389 WeakPolarHBondContact O-CG 3.44Å; N1385-L1389 PolarHBondContact O-N 3.27Å; N1385-L1389 VanDerWaalsContact O-N 3.09Å; Q1386-L1389 PolarHBondContact O-N 3.41Å; L1389-Q1392 WeakPolarHBondContact O-CG 3.46Å; L1389-Q1392 PolarHBondContact O-NE2 3.33Å
1390L91.6Very high91.8Very high17 Ų1738.5 Ų38.59%0.08919%0.186CC..Hα-helixtrans-74.8-44.8179.5175.460.4000112.7Q1386 L1387 K1388 Y1500 K1503 V1504 Q1507Q1386-L1390 WeakPolarHBondContact O-CB 3.43Å; Q1386-L1390 PolarHBondContact O-N 2.86Å; L1387-L1390 PolarHBondContact O-N 3.16Å; K1388-L1390 VanDerWaalsContact C-N 3.32Å; K1388-L1390 PolarHBondContact O-N 3.26Å; L1390-Y1500 HydrophobicContact CD1-CD2 4.39Å; L1390-Y1500 HydrophobicContact CD1-CE2 4.48Å; L1390-Y1500 WeakPolarHBondContact O-CE2 3.2Å; L1390-K1503 HydrophobicContact CD1-CB 3.64Å; L1390-K1503 HydrophobicContact CD1-CD 4.07Å; L1390-K1503 HydrophobicContact CD1-CG 4.49Å; L1390-K1503 HydrophobicContact CD2-CB 4.39Å; L1390-V1504 HydrophobicContact CD1-CG2 4.44Å; L1390-V1504 HydrophobicContact CD2-CG2 4.08Å; L1390-V1504 HydrophobicContact CG-CG2 4.14Å; L1390-Q1507 HydrophobicContact CD2-CG 3.74Å
1391I89.2Confident91.8Very high0 Ų038.5 Ų38.50%019%0.186CC..Hα-helixtrans-93.8-30.8-160.3-70177.2000113.6W1238 L1387 D1393 D1394 A1397 I1398 Y1500 V1504W1238-I1391 HydrophobicContact CH2-CB 4.43Å; W1238-I1391 HydrophobicContact CH2-CG2 4.18Å; W1238-I1391 HydrophobicContact CZ3-CB 4.44Å; L1387-I1391 HydrophobicContact CD2-CD1 4.01Å; L1387-I1391 VanDerWaalsContact O-CB 3.28Å; L1387-I1391 WeakPolarHBondContact O-CB 3.45Å; L1387-I1391 PolarHBondContact O-N 3.36Å; I1391-D1393 PolarHBondContact O-N 3.34Å; I1391-D1394 HydrophobicContact CG2-CB 4.04Å; I1391-D1394 WeakPolarHBondContact CG2-O 3.33Å; I1391-D1394 VanDerWaalsContact O-CB 3.29Å; I1391-D1394 WeakPolarHBondContact O-CB 3.46Å; I1391-D1394 PolarHBondContact O-N 2.98Å; I1391-D1394 VanDerWaalsContact O-N 3.11Å; I1391-A1397 HydrophobicContact CG2-CB 4.36Å; I1391-I1398 HydrophobicContact CD1-CD1 3.38Å; I1391-I1398 HydrophobicContact CD1-CG1 4.2Å; I1391-I1398 HydrophobicContact CG2-CD1 4.34Å; I1391-I1398 HydrophobicContact CG2-CG1 4.13Å; I1391-Y1500 PolarHBondContact O-OH 3.27Å; I1391-V1504 HydrophobicContact CG1-CG2 4.31Å
1392Q83.2Confident91.9Very high40 Ų4035.4 Ų35.419%0.18717%0.171CC..THydrogen-bonded Turntrans49.165.6166.1-52.9-174.4-3.100113.2K1388 L1389 D1394 T1491 R1495K1388-Q1392 PolarHBondContact O-N 3.03Å; L1389-Q1392 WeakPolarHBondContact O-CG 3.46Å; L1389-Q1392 PolarHBondContact O-NE2 3.33Å; Q1392-D1394 PolarHBondContact O-N 2.98Å; Q1392-D1394 VanDerWaalsContact O-N 3.1Å; Q1392-T1491 PolarHBondContact NE2-O 2.67Å; Q1392-T1491 PolarHBondContact OE1-O 2.7Å; Q1392-R1495 PolarHBondContact O-NH1 2.96Å
1393D81.4Confident92.1Very high97 Ų9731.6 Ų31.652%0.51915%0.153SC..THydrogen-bonded Turntrans5915.1-178.7-63.4-69.5000116.1I1391 Y1395I1391-D1393 PolarHBondContact O-N 3.34Å; D1393-Y1395 VanDerWaalsContact C-N 3.26Å; D1393-Y1395 HydrophobicContact CB-CE2 3.81Å; D1393-Y1395 WeakPolarHBondContact O-CD2 3.28Å; D1393-Y1395 WeakPolarHBondContact O-CE2 3.2Å; D1393-Y1395 PolarHBondContact O-N 3.45Å; D1393-Y1395 WeakPolarHBondContact OD1-CE2 3.48Å; D1393-Y1395 PolarHBondContact OD1-OH 3.11Å
1394D89.9Confident92.1Very high2 Ų231.4 Ų31.41%0.01115%0.152CC..  trans-8367.2170.6-149.4-29.9000112.1I1391 Q1392 N1396 A1397 I1398 H1438 S1442 R1495 Y1500I1391-D1394 HydrophobicContact CG2-CB 4.04Å; I1391-D1394 WeakPolarHBondContact CG2-O 3.33Å; I1391-D1394 VanDerWaalsContact O-CB 3.29Å; I1391-D1394 WeakPolarHBondContact O-CB 3.46Å; I1391-D1394 PolarHBondContact O-N 2.98Å; I1391-D1394 VanDerWaalsContact O-N 3.11Å; Q1392-D1394 PolarHBondContact O-N 2.98Å; Q1392-D1394 VanDerWaalsContact O-N 3.1Å; D1394-N1396 PolarHBondContact O-N 3.49Å; D1394-N1396 VanDerWaalsContact O-N 3.08Å; D1394-A1397 HydrophobicContact CB-CB 4.14Å; D1394-A1397 WeakPolarHBondContact O-CA 3.43Å; D1394-A1397 WeakPolarHBondContact O-CB 3.18Å; D1394-A1397 PolarHBondContact O-N 2.93Å; D1394-I1398 PolarHBondContact O-N 3.1Å; D1394-H1438 VanDerWaalsContact CG-NE2 3.3Å; D1394-H1438 IonicContact OD1-CD2 3.09Å; D1394-H1438 IonicContact OD1-CE1 3.85Å; D1394-H1438 IonicContact OD1-NE2 2.78Å; D1394-H1438 PolarHBondContact OD1-NE2 2.73Å; D1394-H1438 IonicContact OD2-CD2 2.78Å; D1394-H1438 IonicContact OD2-NE2 3.95Å; D1394-H1438 PolarHBondContact OD2-NE2 2.77Å; D1394-H1438 VanDerWaalsContact OD2-NE2 3.17Å; D1394-S1442 PolarHBondContact OD2-OG 3.03Å; D1394-R1495 IonicContact OD1-NH2 3.62Å; D1394-R1495 IonicContact OD2-CZ 3.16Å; D1394-R1495 IonicContact OD2-NE 2.7Å; D1394-R1495 PolarHBondContact OD2-NE 3.45Å; D1394-R1495 IonicContact OD2-NH2 2.94Å; D1394-R1495 PolarHBondContact OD2-NH2 3.03Å; D1394-Y1500 VanDerWaalsContact CB-OH 3.24Å; D1394-Y1500 WeakPolarHBondContact CB-OH 3.45Å
1395Y91.2Very high92.2Very high76 Ų7631.4 Ų31.430%0.29815%0.152SC..Hα-helixtrans-54.8-27.9178.2-59.9-87.1000113.2W1238 M1242 D1393 A1397 I1398 W1399W1238-Y1395 HydrophobicContact CZ2-CD1 4.04Å; W1238-Y1395 AromaticContact CZ2-CE1 3.82Å; W1238-Y1395 HydrophobicContact CZ2-CE1 3.82Å; M1242-Y1395 HydrophobicContact SD-CE1 3.67Å; D1393-Y1395 VanDerWaalsContact C-N 3.26Å; D1393-Y1395 HydrophobicContact CB-CE2 3.81Å; D1393-Y1395 WeakPolarHBondContact O-CD2 3.28Å; D1393-Y1395 WeakPolarHBondContact O-CE2 3.2Å; D1393-Y1395 PolarHBondContact O-N 3.45Å; D1393-Y1395 WeakPolarHBondContact OD1-CE2 3.48Å; D1393-Y1395 PolarHBondContact OD1-OH 3.11Å; Y1395-A1397 VanDerWaalsContact C-N 3.27Å; Y1395-A1397 PolarHBondContact O-N 2.84Å; Y1395-I1398 WeakPolarHBondContact O-CB 3.2Å; Y1395-I1398 PolarHBondContact O-N 3.3Å; Y1395-I1398 VanDerWaalsContact O-N 3.14Å; Y1395-W1399 VanDerWaalsContact O-CG 3.28Å; Y1395-W1399 PolarHBondContact O-N 2.73Å
1396N91.6Very high92.3Very high50 Ų5028 Ų2827%0.26713%0.134SC..Hα-helixtrans-63.3-32.4172.6-73.4-81.6000112.8L1128 D1394 W1399 G1400 H1438L1128-N1396 HydrophobicContact CD2-CB 4.27Å; D1394-N1396 PolarHBondContact O-N 3.49Å; D1394-N1396 VanDerWaalsContact O-N 3.08Å; N1396-W1399 HydrophobicContact CB-CE3 4.29Å; N1396-W1399 HydrophobicContact CB-CZ3 4.46Å; N1396-W1399 WeakPolarHBondContact OD1-CZ3 3.36Å; N1396-G1400 PolarHBondContact O-N 3.23Å; N1396-H1438 WeakPolarHBondContact CB-NE2 3.34Å
1397A94.1Very high92.4Very high0 Ų023.3 Ų23.30%011%0.112CC..Hα-helixtrans-67.7-39172.800000111.7I1391 D1394 Y1395 G1400 L1401 L1435 V1504I1391-A1397 HydrophobicContact CG2-CB 4.36Å; D1394-A1397 HydrophobicContact CB-CB 4.14Å; D1394-A1397 WeakPolarHBondContact O-CA 3.43Å; D1394-A1397 WeakPolarHBondContact O-CB 3.18Å; D1394-A1397 PolarHBondContact O-N 2.93Å; Y1395-A1397 VanDerWaalsContact C-N 3.27Å; Y1395-A1397 PolarHBondContact O-N 2.84Å; A1397-G1400 PolarHBondContact O-N 3.22Å; A1397-L1401 WeakPolarHBondContact O-CB 3.4Å; A1397-L1401 PolarHBondContact O-N 3.03Å; A1397-L1435 HydrophobicContact CB-CD1 4.16Å; A1397-V1504 HydrophobicContact CB-CG1 4.24Å
1398I94.3Very high92.2Very high0 Ų023.4 Ų23.40%011%0.113CC..Hα-helixtrans-61.5-51.8174.6-64.3-67.9000111.3Y1135 F1234 W1238 I1391 D1394 Y1395 G1400 L1401 A1402Y1135-I1398 HydrophobicContact CE2-CG2 4.11Å; F1234-I1398 HydrophobicContact CE1-CG2 4.01Å; F1234-I1398 HydrophobicContact CE2-CD1 4.17Å; F1234-I1398 HydrophobicContact CZ-CB 4.42Å; F1234-I1398 HydrophobicContact CZ-CD1 3.72Å; F1234-I1398 HydrophobicContact CZ-CG2 3.92Å; W1238-I1398 HydrophobicContact CD2-CD1 3.44Å; W1238-I1398 VanDerWaalsContact CD2-CD1 3.44Å; W1238-I1398 HydrophobicContact CD2-CG1 3.8Å; W1238-I1398 HydrophobicContact CD2-CG2 4.43Å; W1238-I1398 HydrophobicContact CE3-CD1 3.34Å; W1238-I1398 HydrophobicContact CE3-CG1 4.08Å; W1238-I1398 HydrophobicContact CG-CD1 4.05Å; W1238-I1398 HydrophobicContact CG-CG1 4.39Å; W1238-I1398 HydrophobicContact CG-CG2 4.14Å; W1238-I1398 HydrophobicContact CH2-CD1 4.05Å; W1238-I1398 HydrophobicContact CH2-CG1 4.06Å; W1238-I1398 HydrophobicContact CZ2-CD1 4.15Å; W1238-I1398 HydrophobicContact CZ2-CG1 3.8Å; W1238-I1398 HydrophobicContact CZ3-CD1 3.66Å; W1238-I1398 HydrophobicContact CZ3-CG1 4.2Å; I1391-I1398 HydrophobicContact CD1-CD1 3.38Å; I1391-I1398 HydrophobicContact CD1-CG1 4.2Å; I1391-I1398 HydrophobicContact CG2-CD1 4.34Å; I1391-I1398 HydrophobicContact CG2-CG1 4.13Å; D1394-I1398 PolarHBondContact O-N 3.1Å; Y1395-I1398 WeakPolarHBondContact O-CB 3.2Å; Y1395-I1398 PolarHBondContact O-N 3.3Å; Y1395-I1398 VanDerWaalsContact O-N 3.14Å; I1398-G1400 VanDerWaalsContact C-N 3.3Å; I1398-G1400 PolarHBondContact O-N 3.17Å; I1398-L1401 PolarHBondContact O-N 2.69Å; I1398-L1401 VanDerWaalsContact O-N 3.16Å; I1398-A1402 PolarHBondContact O-N 3.18Å
1399W94.1Very high92Very high40 Ų4024.6 Ų24.615%0.15212%0.116CC..Hα-helixtrans-64.2-36.3-179-52.2-37.1000112.3L1131 S1132 Y1135 Y1395 N1396 A1403L1131-W1399 HydrophobicContact CB-CB 4.16Å; S1132-W1399 VanDerWaalsContact CB-CE3 3.46Å; S1132-W1399 VanDerWaalsContact CB-CZ3 3.49Å; Y1135-W1399 AromaticContact CD1-CD1 3.67Å; Y1135-W1399 AromaticContact CD1-NE1 3.73Å; Y1135-W1399 AromaticContact CD2-CD1 3.84Å; Y1135-W1399 AromaticContact CG-CD1 3.41Å; Y1135-W1399 VanDerWaalsContact CG-CD1 3.41Å; Y1135-W1399 HydrophobicContact CG-CG 4.47Å; Y1135-W1399 AromaticContact CG-NE1 3.91Å; Y1395-W1399 VanDerWaalsContact O-CG 3.28Å; Y1395-W1399 PolarHBondContact O-N 2.73Å; N1396-W1399 HydrophobicContact CB-CE3 4.29Å; N1396-W1399 HydrophobicContact CB-CZ3 4.46Å; N1396-W1399 WeakPolarHBondContact OD1-CZ3 3.36Å; W1399-A1403 PolarHBondContact O-N 2.81Å
1400G95.5Very high91.5Very high0 Ų025.8 Ų25.80%012%0.116CC..Hα-helixtrans-70.3-33.6173.800000114N1396 A1397 I1398 L1404N1396-G1400 PolarHBondContact O-N 3.23Å; A1397-G1400 PolarHBondContact O-N 3.22Å; I1398-G1400 VanDerWaalsContact C-N 3.3Å; I1398-G1400 PolarHBondContact O-N 3.17Å; G1400-L1404 WeakPolarHBondContact O-CB 3.39Å; G1400-L1404 WeakPolarHBondContact O-CG 3.41Å; G1400-L1404 PolarHBondContact O-N 3.44Å
1401L95.8Very high90.8Very high0 Ų025.5 Ų25.50%012%0.116CC..Hα-helixtrans-73.4-42.3176.5-17858.7000111.7F1234 A1397 I1398 A1403 L1404 I1405 V1504 Q1507 K1508F1234-L1401 HydrophobicContact CD2-CD2 4.41Å; F1234-L1401 HydrophobicContact CE1-CB 4.5Å; F1234-L1401 HydrophobicContact CE1-CG 4.47Å; F1234-L1401 HydrophobicContact CE2-CD2 3.56Å; F1234-L1401 HydrophobicContact CE2-CG 4.17Å; F1234-L1401 HydrophobicContact CZ-CB 4.09Å; F1234-L1401 HydrophobicContact CZ-CD2 3.69Å; F1234-L1401 HydrophobicContact CZ-CG 3.95Å; A1397-L1401 WeakPolarHBondContact O-CB 3.4Å; A1397-L1401 PolarHBondContact O-N 3.03Å; I1398-L1401 PolarHBondContact O-N 2.69Å; I1398-L1401 VanDerWaalsContact O-N 3.16Å; L1401-A1403 VanDerWaalsContact C-N 3.35Å; L1401-A1403 PolarHBondContact O-N 2.96Å; L1401-L1404 CarbonylContact O-C 3.59Å; L1401-L1404 WeakPolarHBondContact O-CA 3.09Å; L1401-L1404 WeakPolarHBondContact O-CB 3.44Å; L1401-L1404 PolarHBondContact O-N 3.17Å; L1401-I1405 HydrophobicContact CD1-CD1 4.44Å; L1401-I1405 HydrophobicContact CD1-CG1 4.47Å; L1401-I1405 HydrophobicContact CG-CD1 4.1Å; L1401-I1405 WeakPolarHBondContact O-CG1 3.36Å; L1401-I1405 PolarHBondContact O-N 3.13Å; L1401-V1504 HydrophobicContact CD2-CG1 4.4Å; L1401-Q1507 HydrophobicContact CD2-CB 3.83Å; L1401-Q1507 HydrophobicContact CD2-CG 4.48Å; L1401-K1508 HydrophobicContact CD1-CB 3.9Å
1402A96.5Very high90.1Very high0 Ų026.9 Ų26.90%012%0.123CC..Hα-helixtrans-54.8-47.5174.300000112.4Y1135 Y1205 L1231 F1234 I1398 L1404 I1405 L1406Y1135-A1402 HydrophobicContact CD2-CB 3.96Å; Y1135-A1402 HydrophobicContact CE2-CB 3.86Å; Y1205-A1402 WeakPolarHBondContact OH-CB 3.39Å; L1231-A1402 HydrophobicContact CD1-CB 3.99Å; F1234-A1402 HydrophobicContact CD1-CB 4.22Å; F1234-A1402 HydrophobicContact CE1-CB 3.92Å; I1398-A1402 PolarHBondContact O-N 3.18Å; A1402-L1404 VanDerWaalsContact C-N 3.26Å; A1402-L1404 PolarHBondContact O-N 3.34Å; A1402-I1405 PolarHBondContact O-N 2.8Å; A1402-L1406 PolarHBondContact O-N 3.46Å; A1402-L1406 VanDerWaalsContact O-N 3.09Å
1403A96.5Very high89.1Confident0 Ų027.1 Ų27.10%013%0.126CC..Hα-helixtrans-66.2-27.1176.700000113.3L1131 V1209 W1399 L1401 V1407 F1431L1131-A1403 HydrophobicContact CD1-CB 3.79Å; L1131-A1403 HydrophobicContact CD2-CB 3.73Å; L1131-A1403 HydrophobicContact CG-CB 4.43Å; V1209-A1403 HydrophobicContact CG1-CB 4.46Å; W1399-A1403 PolarHBondContact O-N 2.81Å; L1401-A1403 VanDerWaalsContact C-N 3.35Å; L1401-A1403 PolarHBondContact O-N 2.96Å; A1403-V1407 PolarHBondContact O-N 3.33Å; A1403-V1407 VanDerWaalsContact O-N 3.13Å; A1403-F1431 HydrophobicContact CB-CD1 4.28Å; A1403-F1431 HydrophobicContact CB-CD2 4.14Å; A1403-F1431 HydrophobicContact CB-CE1 4.35Å; A1403-F1431 HydrophobicContact CB-CE2 4.19Å; A1403-F1431 HydrophobicContact CB-CG 4.2Å; A1403-F1431 HydrophobicContact CB-CZ 4.32Å
1404L95.5Very high87.8Confident0 Ų031.8 Ų31.80%014%0.138CC..Hα-helixtrans-82-23.9176.3-85.5168.7000114.3G1400 L1401 A1402 V1407 N1408 F1431 V1432 L1435 F1505G1400-L1404 WeakPolarHBondContact O-CB 3.39Å; G1400-L1404 WeakPolarHBondContact O-CG 3.41Å; G1400-L1404 PolarHBondContact O-N 3.44Å; L1401-L1404 CarbonylContact O-C 3.59Å; L1401-L1404 WeakPolarHBondContact O-CA 3.09Å; L1401-L1404 WeakPolarHBondContact O-CB 3.44Å; L1401-L1404 PolarHBondContact O-N 3.17Å; A1402-L1404 VanDerWaalsContact C-N 3.26Å; A1402-L1404 PolarHBondContact O-N 3.34Å; L1404-V1407 CarbonylContact O-C 3.36Å; L1404-N1408 WeakPolarHBondContact O-CA 3.48Å; L1404-N1408 VanDerWaalsContact O-CB 3.3Å; L1404-N1408 WeakPolarHBondContact O-CB 3.27Å; L1404-N1408 PolarHBondContact O-N 3.17Å; L1404-F1431 HydrophobicContact CD2-CB 3.75Å; L1404-F1431 HydrophobicContact CG-CB 3.78Å; L1404-V1432 HydrophobicContact CD2-CB 4.46Å; L1404-V1432 HydrophobicContact CD2-CG2 3.63Å; L1404-L1435 HydrophobicContact CD1-CB 4.12Å; L1404-L1435 HydrophobicContact CD1-CD2 3.57Å; L1404-L1435 HydrophobicContact CD1-CG 4.5Å; L1404-F1505 HydrophobicContact CD1-CD2 4.06Å; L1404-F1505 HydrophobicContact CD1-CE2 4.09Å; L1404-F1505 HydrophobicContact CD2-CE2 4.34Å
1405I95.6Very high86.1Confident2 Ų237.1 Ų37.11%0.0117%0.165CC..Hα-helixtrans-72.2-54.7169.6-68.8162000108.6H1227 D1230 L1231 F1234 L1401 A1402 V1407 N1408 K1508 I1511H1227-I1405 WeakPolarHBondContact CB-O 3.36Å; H1227-I1405 PolarHBondContact CD2-O 3.29Å; H1227-I1405 VanDerWaalsContact CG-O 3.25Å; D1230-I1405 HydrophobicContact CB-CG2 3.51Å; L1231-I1405 HydrophobicContact CB-CG2 4.2Å; F1234-I1405 HydrophobicContact CB-CD1 3.79Å; F1234-I1405 HydrophobicContact CD1-CD1 3.79Å; F1234-I1405 HydrophobicContact CD2-CD1 4.14Å; F1234-I1405 HydrophobicContact CE1-CD1 4.42Å; F1234-I1405 HydrophobicContact CG-CD1 3.62Å; L1401-I1405 HydrophobicContact CD1-CD1 4.44Å; L1401-I1405 HydrophobicContact CD1-CG1 4.47Å; L1401-I1405 HydrophobicContact CG-CD1 4.1Å; L1401-I1405 WeakPolarHBondContact O-CG1 3.36Å; L1401-I1405 PolarHBondContact O-N 3.13Å; A1402-I1405 PolarHBondContact O-N 2.8Å; I1405-V1407 VanDerWaalsContact C-N 3.31Å; I1405-V1407 PolarHBondContact O-N 3.48Å; I1405-N1408 WeakPolarHBondContact O-CB 3.49Å; I1405-N1408 PolarHBondContact O-N 3.15Å; I1405-K1508 HydrophobicContact CG1-CB 3.82Å; I1405-I1511 HydrophobicContact CD1-CD1 3.73Å
1406L95Very high85.1Confident0 Ų034 Ų340%016%0.155CC..Hα-helixtrans-55.8-41.9178.1176.366.6000113.1Y1205 A1206 V1209 F1212 L1224 L1231 A1402Y1205-L1406 HydrophobicContact CD1-CD2 4.46Å; Y1205-L1406 HydrophobicContact CE1-CD2 4.23Å; A1206-L1406 HydrophobicContact CB-CD1 4.01Å; A1206-L1406 HydrophobicContact CB-CD2 3.59Å; A1206-L1406 HydrophobicContact CB-CG 4.44Å; V1209-L1406 HydrophobicContact CB-CD2 4.2Å; V1209-L1406 HydrophobicContact CG1-CD2 4.4Å; V1209-L1406 HydrophobicContact CG2-CD2 3.89Å; F1212-L1406 HydrophobicContact CD2-CD2 4.11Å; F1212-L1406 HydrophobicContact CD2-CG 4.34Å; F1212-L1406 HydrophobicContact CE2-CD1 4.16Å; F1212-L1406 HydrophobicContact CE2-CD2 4.21Å; F1212-L1406 HydrophobicContact CE2-CG 4.06Å; F1212-L1406 HydrophobicContact CZ-CD1 4.37Å; L1224-L1406 HydrophobicContact CD2-CD1 4.04Å; L1231-L1406 HydrophobicContact CD2-CB 4.47Å; A1402-L1406 PolarHBondContact O-N 3.46Å; A1402-L1406 VanDerWaalsContact O-N 3.09Å
1407V93.6Very high84.1Confident0 Ų036.3 Ų36.30%017%0.172CC..THydrogen-bonded Turntrans-112.859.5-179.8-165.10000109.8F1212 A1403 L1404 I1405 Y1409 V1424 L1427 H1428 F1431F1212-V1407 HydrophobicContact CD2-CG2 3.85Å; F1212-V1407 HydrophobicContact CE2-CG2 4.36Å; A1403-V1407 PolarHBondContact O-N 3.33Å; A1403-V1407 VanDerWaalsContact O-N 3.13Å; L1404-V1407 CarbonylContact O-C 3.36Å; I1405-V1407 VanDerWaalsContact C-N 3.31Å; I1405-V1407 PolarHBondContact O-N 3.48Å; V1407-Y1409 PolarHBondContact O-N 2.75Å; V1407-V1424 HydrophobicContact CG1-CG1 4.18Å; V1407-L1427 HydrophobicContact CG1-CB 4.17Å; V1407-L1427 HydrophobicContact CG1-CD2 4.01Å; V1407-L1427 HydrophobicContact CG1-CG 4.05Å; V1407-L1427 HydrophobicContact CG2-CD2 4.09Å; V1407-H1428 HydrophobicContact CG1-CB 4.33Å; V1407-H1428 WeakPolarHBondContact O-CB 3.36Å; V1407-H1428 PolarHBondContact O-ND1 3.28Å; V1407-F1431 HydrophobicContact CB-CD2 4.38Å; V1407-F1431 HydrophobicContact CB-CE2 4.33Å; V1407-F1431 HydrophobicContact CG2-CE2 4.06Å
1408N89.6Confident83.6Confident3 Ų337.5 Ų37.52%0.01618%0.178CC..  trans-90.394.1178.6-173.67.5000111.5L1404 I1405 K1410 S1411 K1508L1404-N1408 WeakPolarHBondContact O-CA 3.48Å; L1404-N1408 VanDerWaalsContact O-CB 3.3Å; L1404-N1408 WeakPolarHBondContact O-CB 3.27Å; L1404-N1408 PolarHBondContact O-N 3.17Å; I1405-N1408 WeakPolarHBondContact O-CB 3.49Å; I1405-N1408 PolarHBondContact O-N 3.15Å; N1408-K1410 PolarHBondContact O-N 2.91Å; N1408-K1410 VanDerWaalsContact O-N 3.17Å; N1408-K1410 PolarHBondContact OD1-N 3.03Å; N1408-S1411 WeakPolarHBondContact CB-OG 3.44Å; N1408-S1411 PolarHBondContact ND2-OG 2.87Å; N1408-S1411 PolarHBondContact O-OG 2.89Å; N1408-K1508 VanDerWaalsContact CG-NZ 3.3Å; N1408-K1508 PolarHBondContact ND2-NZ 2.96Å; N1408-K1508 VanDerWaalsContact ND2-NZ 3.13Å; N1408-K1508 PolarHBondContact OD1-NZ 3.24Å
1409Y87.7Confident83.1Confident77 Ų7741.3 Ų41.330%0.30220%0.202SC..G310 helixtrans-63.6-22.4179.5-175.2-86.8000113.9V1407 I1412 L1418 S1421 V1424 Y1425 H1428V1407-Y1409 PolarHBondContact O-N 2.75Å; Y1409-I1412 HydrophobicContact CD2-CD1 4.2Å; Y1409-L1418 HydrophobicContact CE2-CD1 4.27Å; Y1409-S1421 VanDerWaalsContact CE2-O 3.32Å; Y1409-S1421 WeakPolarHBondContact CE2-O 3.36Å; Y1409-V1424 HydrophobicContact CD2-CB 4.27Å; Y1409-V1424 HydrophobicContact CD2-CG1 4.15Å; Y1409-Y1425 AromaticContact CD1-CD2 3.61Å; Y1409-Y1425 HydrophobicContact CD1-CD2 3.61Å; Y1409-Y1425 HydrophobicContact CD1-CE2 4.35Å; Y1409-Y1425 HydrophobicContact CD2-CD2 4.28Å; Y1409-Y1425 HydrophobicContact CD2-CG 4.5Å; Y1409-Y1425 AromaticContact CE1-CD2 3.75Å; Y1409-Y1425 HydrophobicContact CE1-CD2 3.75Å; Y1409-Y1425 HydrophobicContact CE2-CD2 4.37Å; Y1409-Y1425 AromaticContact CG-CD2 3.91Å; Y1409-Y1425 HydrophobicContact CG-CD2 3.91Å; Y1409-Y1425 HydrophobicContact CG-CG 4.48Å; Y1409-H1428 PolarHBondContact N-ND1 2.95Å
1410K80.1Confident82.7Confident137 Ų13742.9 Ų42.960%0.59621%0.213SC*.G310 helixtrans-75.7-25.7-171.2-172.5-169.7165.8-127.20113.3N1408 I1412 D1509N1408-K1410 PolarHBondContact O-N 2.91Å; N1408-K1410 VanDerWaalsContact O-N 3.17Å; N1408-K1410 PolarHBondContact OD1-N 3.03Å; K1410-I1412 VanDerWaalsContact C-N 3.3Å; K1410-D1509 IonicContact NZ-OD1 3.33Å; K1410-D1509 IonicContact NZ-OD2 2.9Å; K1410-D1509 PolarHBondContact NZ-OD2 3.26Å
1411S75.5Confident82.3Confident12 Ų1245.5 Ų45.58%0.08423%0.231CC..G310 helixtrans-89.110.4-177.730.10000113.6H1227 N1408H1227-S1411 PolarHBondContact CE1-OG 3.35Å; H1227-S1411 PolarHBondContact NE2-OG 2.84Å; N1408-S1411 WeakPolarHBondContact CB-OG 3.44Å; N1408-S1411 PolarHBondContact ND2-OG 2.87Å; N1408-S1411 PolarHBondContact O-OG 2.89Å
1412I74.5Confident81.9Confident29 Ų2949.1 Ų49.115%0.14926%0.257CS..  trans-100.6102.1-175.1-48178.6000108.4M1223 L1226 Y1409 K1410 L1418 V1424M1223-I1412 HydrophobicContact CE-CD1 3.24Å; M1223-I1412 HydrophobicContact CE-CG1 3.81Å; M1223-I1412 HydrophobicContact SD-CD1 4.09Å; L1226-I1412 HydrophobicContact CD1-CG1 4.17Å; Y1409-I1412 HydrophobicContact CD2-CD1 4.2Å; K1410-I1412 VanDerWaalsContact C-N 3.3Å; I1412-L1418 HydrophobicContact CD1-CD1 3.75Å; I1412-L1418 HydrophobicContact CD1-CD2 4.46Å; I1412-L1418 HydrophobicContact CD1-CG 4.43Å; I1412-L1418 HydrophobicContact CG2-CD1 4.16Å; I1412-L1418 HydrophobicContact CG2-CD2 4.46Å; I1412-L1418 HydrophobicContact CG2-CG 4.01Å; I1412-V1424 HydrophobicContact CD1-CG1 4.07Å
1413N62.6Low81.6Confident44 Ų4452.7 Ų52.724%0.23527%0.273CS..  trans-78.4160.5179.1-79-6.1000112.1L1415 T1416 L1546 S1547 D1548N1413-L1415 PolarHBondContact O-N 2.94Å; N1413-T1416 PolarHBondContact O-N 3.33Å; N1413-T1416 PolarHBondContact O-OG1 3.42Å; N1413-L1546 PolarHBondContact ND2-O 3.04Å; N1413-S1547 WeakPolarHBondContact ND2-CA 3.3Å; N1413-D1548 PolarHBondContact ND2-N 3.41Å; N1413-D1548 PolarHBondContact ND2-O 3.44Å; N1413-D1548 PolarHBondContact ND2-OXT 2.72Å
1414Y55.3Low81.4Confident196 Ų19652.7 Ų52.777%0.76927%0.273SS*.THydrogen-bonded Turntrans-60.5-12.8178.4-67.4-76.5000114
1415L54.3Low81.2Confident113 Ų11355.7 Ų55.759%0.59229%0.285SS*.THydrogen-bonded Turntrans-83.5-16.1177-60.1175.8000113.6N1413 P1417 L1546N1413-L1415 PolarHBondContact O-N 2.94Å; L1415-P1417 VanDerWaalsContact C-CD 3.48Å; L1415-P1417 WeakPolarHBondContact O-CD 3.1Å; L1415-L1546 HydrophobicContact CD1-CD2 3.99Å
1416T69.5Low81.1Confident12 Ų1255.9 Ų55.97%0.07429%0.286CS..SBendtrans-109.578.7175.2450000110.4N1413 L1418 I1543N1413-T1416 PolarHBondContact O-N 3.33Å; N1413-T1416 PolarHBondContact O-OG1 3.42Å; T1416-L1418 PolarHBondContact O-N 3.32Å; T1416-I1543 HydrophobicContact CG2-CG2 4.36Å
1417P70.2Confident81.1Confident98 Ų9856.6 Ų56.664%0.63629%0.29SS*.  trans-69.6106.5-169.428.3-36.4000112.8L1415L1415-P1417 VanDerWaalsContact C-CD 3.48Å; L1415-P1417 WeakPolarHBondContact O-CD 3.1Å
1418L83Confident81.1Confident25 Ų2557.4 Ų57.413%0.13129%0.294CS..  trans-64.6138165.4-61.3178000111.3D1219 I1222 M1223 Y1409 I1412 T1416 V1424D1219-L1418 HydrophobicContact CB-CD2 4.25Å; I1222-L1418 HydrophobicContact CG2-CD2 4.1Å; M1223-L1418 HydrophobicContact CE-CD2 4.21Å; Y1409-L1418 HydrophobicContact CE2-CD1 4.27Å; I1412-L1418 HydrophobicContact CD1-CD1 3.75Å; I1412-L1418 HydrophobicContact CD1-CD2 4.46Å; I1412-L1418 HydrophobicContact CD1-CG 4.43Å; I1412-L1418 HydrophobicContact CG2-CD1 4.16Å; I1412-L1418 HydrophobicContact CG2-CD2 4.46Å; I1412-L1418 HydrophobicContact CG2-CG 4.01Å; T1416-L1418 PolarHBondContact O-N 3.32Å; L1418-V1424 HydrophobicContact CD1-CB 3.91Å; L1418-V1424 HydrophobicContact CD1-CG1 4.19Å; L1418-V1424 HydrophobicContact CD1-CG2 3.84Å; L1418-V1424 HydrophobicContact CD2-CG2 4.35Å
1419T84.3Confident81.3Confident80 Ų8059.1 Ų59.149%0.49130%0.302SS..THydrogen-bonded Turntrans-67.7-43170.857.50000111.6S1216 N1218 D1219S1216-T1419 PolarHBondContact OG-OG1 3.29Å; N1218-T1419 HydrophobicContact CB-CG2 4.34Å; D1219-T1419 WeakPolarHBondContact OD1-CB 3.23Å; D1219-T1419 PolarHBondContact OD1-N 2.85Å; D1219-T1419 PolarHBondContact OD1-OG1 3.39Å; D1219-T1419 PolarHBondContact OD2-N 3.03Å; D1219-T1419 PolarHBondContact OD2-OG1 2.88Å
1420N85.6Confident81.6Confident73 Ų7360 Ų6039%0.3931%0.305SS..THydrogen-bonded Turntrans-126.557.1-174.6-79.5-5.3000111.8D1219 S1422 E1423 V1424D1219-N1420 PolarHBondContact OD2-N 3.15Å; N1420-S1422 PolarHBondContact O-N 2.87Å; N1420-E1423 HydrophobicContact CB-CB 4.21Å; N1420-E1423 HydrophobicContact CB-CG 4.02Å; N1420-E1423 WeakPolarHBondContact CB-OE2 3.36Å; N1420-E1423 PolarHBondContact ND2-OE2 2.87Å; N1420-E1423 WeakPolarHBondContact O-CB 3.42Å; N1420-E1423 PolarHBondContact O-N 2.98Å; N1420-V1424 PolarHBondContact O-N 3.48Å
1421S87.8Confident82.4Confident54 Ų5453.5 Ų53.538%0.37828%0.276SS..Hα-helixtrans-49.2-34.8-179.561.10000115.2Y1409 E1423 Y1425Y1409-S1421 VanDerWaalsContact CE2-O 3.32Å; Y1409-S1421 WeakPolarHBondContact CE2-O 3.36Å; S1421-E1423 VanDerWaalsContact C-N 3.29Å; S1421-E1423 PolarHBondContact O-N 3Å; S1421-Y1425 WeakPolarHBondContact O-CB 3.38Å; S1421-Y1425 PolarHBondContact O-N 3.29Å
1422S87.7Confident83.3Confident77 Ų7754 Ų5454%0.53828%0.279SS..Hα-helixtrans-66.8-25.8176.2-173.70000113.8N1420 S1426N1420-S1422 PolarHBondContact O-N 2.87Å; S1422-S1426 VanDerWaalsContact O-CB 3.29Å; S1422-S1426 WeakPolarHBondContact O-CB 3.39Å; S1422-S1426 PolarHBondContact O-N 3.27Å; S1422-S1426 PolarHBondContact O-OG 2.78Å
1423E90.3Very high84.1Confident74 Ų7454.4 Ų54.435%0.34628%0.28SS..Hα-helixtrans-80.9-46.8178-58.1-166.9130.600110.7L1215 N1420 S1421 Y1425 S1426 L1427L1215-E1423 HydrophobicContact CD2-CB 3.78Å; N1420-E1423 HydrophobicContact CB-CB 4.21Å; N1420-E1423 HydrophobicContact CB-CG 4.02Å; N1420-E1423 WeakPolarHBondContact CB-OE2 3.36Å; N1420-E1423 PolarHBondContact ND2-OE2 2.87Å; N1420-E1423 WeakPolarHBondContact O-CB 3.42Å; N1420-E1423 PolarHBondContact O-N 2.98Å; S1421-E1423 VanDerWaalsContact C-N 3.29Å; S1421-E1423 PolarHBondContact O-N 3Å; E1423-Y1425 VanDerWaalsContact C-N 3.35Å; E1423-Y1425 PolarHBondContact O-N 3.26Å; E1423-S1426 WeakPolarHBondContact O-CB 3.48Å; E1423-S1426 PolarHBondContact O-N 3.42Å; E1423-L1427 PolarHBondContact O-N 3.24Å
1424V91.4Very high85.7Confident0 Ų052.4 Ų52.40%027%0.269CS..Hα-helixtrans-57.2-47.1172.7-174.50000110.8L1215 D1219 M1223 V1407 Y1409 I1412 L1418 N1420 S1426 L1427 H1428L1215-V1424 HydrophobicContact CD1-CG2 4.14Å; L1215-V1424 HydrophobicContact CD2-CG2 3.96Å; D1219-V1424 HydrophobicContact CB-CG2 4.24Å; M1223-V1424 HydrophobicContact CE-CG1 4.47Å; M1223-V1424 HydrophobicContact SD-CG1 3.86Å; V1407-V1424 HydrophobicContact CG1-CG1 4.18Å; Y1409-V1424 HydrophobicContact CD2-CB 4.27Å; Y1409-V1424 HydrophobicContact CD2-CG1 4.15Å; I1412-V1424 HydrophobicContact CD1-CG1 4.07Å; L1418-V1424 HydrophobicContact CD1-CB 3.91Å; L1418-V1424 HydrophobicContact CD1-CG1 4.19Å; L1418-V1424 HydrophobicContact CD1-CG2 3.84Å; L1418-V1424 HydrophobicContact CD2-CG2 4.35Å; N1420-V1424 PolarHBondContact O-N 3.48Å; V1424-S1426 VanDerWaalsContact C-N 3.29Å; V1424-S1426 PolarHBondContact O-N 3.23Å; V1424-L1427 PolarHBondContact O-N 2.96Å; V1424-H1428 WeakPolarHBondContact O-CB 3.16Å; V1424-H1428 PolarHBondContact O-N 3.07Å
1425Y92.6Very high87.5Confident64 Ų6443.1 Ų43.125%0.25123%0.233SC..Hα-helixtrans-56.6-43.9173.7-178.5-81.1000111.8R1056 Y1409 S1421 E1423 H1429R1056-Y1425 VanDerWaalsContact CZ-CE1 3.41Å; Y1409-Y1425 AromaticContact CD1-CD2 3.61Å; Y1409-Y1425 HydrophobicContact CD1-CD2 3.61Å; Y1409-Y1425 HydrophobicContact CD1-CE2 4.35Å; Y1409-Y1425 HydrophobicContact CD2-CD2 4.28Å; Y1409-Y1425 HydrophobicContact CD2-CG 4.5Å; Y1409-Y1425 AromaticContact CE1-CD2 3.75Å; Y1409-Y1425 HydrophobicContact CE1-CD2 3.75Å; Y1409-Y1425 HydrophobicContact CE2-CD2 4.37Å; Y1409-Y1425 AromaticContact CG-CD2 3.91Å; Y1409-Y1425 HydrophobicContact CG-CD2 3.91Å; Y1409-Y1425 HydrophobicContact CG-CG 4.48Å; S1421-Y1425 WeakPolarHBondContact O-CB 3.38Å; S1421-Y1425 PolarHBondContact O-N 3.29Å; E1423-Y1425 VanDerWaalsContact C-N 3.35Å; E1423-Y1425 PolarHBondContact O-N 3.26Å; Y1425-H1429 HydrophobicContact CD1-CB 4.22Å; Y1425-H1429 HydrophobicContact CE1-CB 3.83Å; Y1425-H1429 AromaticContact CE1-CD2 3.86Å; Y1425-H1429 AromaticContact CE1-CG 3.89Å; Y1425-H1429 WeakPolarHBondContact O-CB 3.45Å; Y1425-H1429 PolarHBondContact O-N 2.68Å
1426S92.4Very high89.3Confident5 Ų540.2 Ų40.24%0.03522%0.215CC..Hα-helixtrans-67.5-37.5-176.6-66.90000112.5R1056 C1057 S1422 E1423 V1424 R1430R1056-S1426 WeakPolarHBondContact CB-OG 3.39Å; R1056-S1426 WeakPolarHBondContact CD-OG 3.29Å; R1056-S1426 VanDerWaalsContact CG-OG 3.27Å; R1056-S1426 WeakPolarHBondContact CG-OG 3.24Å; C1057-S1426 WeakPolarHBondContact SG-CB 3.2Å; C1057-S1426 PolarHBondContact SG-OG 3.34Å; S1422-S1426 VanDerWaalsContact O-CB 3.29Å; S1422-S1426 WeakPolarHBondContact O-CB 3.39Å; S1422-S1426 PolarHBondContact O-N 3.27Å; S1422-S1426 PolarHBondContact O-OG 2.78Å; E1423-S1426 WeakPolarHBondContact O-CB 3.48Å; E1423-S1426 PolarHBondContact O-N 3.42Å; V1424-S1426 VanDerWaalsContact C-N 3.29Å; V1424-S1426 PolarHBondContact O-N 3.23Å; S1426-R1430 WeakPolarHBondContact O-CB 3.44Å; S1426-R1430 PolarHBondContact O-N 3.03Å; S1426-R1430 VanDerWaalsContact O-N 3.1Å
1427L94.2Very high90.3Very high15 Ų1542 Ų428%0.07923%0.229CC..Hα-helixtrans-69.2-48.1175.1-173.860000111.2F1212 L1215 V1407 E1423 V1424 H1429 R1430 F1431F1212-L1427 HydrophobicContact CB-CD2 4.49Å; L1215-L1427 HydrophobicContact CD1-CD2 4.01Å; L1215-L1427 HydrophobicContact CG-CD2 4.32Å; V1407-L1427 HydrophobicContact CG1-CB 4.17Å; V1407-L1427 HydrophobicContact CG1-CD2 4.01Å; V1407-L1427 HydrophobicContact CG1-CG 4.05Å; V1407-L1427 HydrophobicContact CG2-CD2 4.09Å; E1423-L1427 PolarHBondContact O-N 3.24Å; V1424-L1427 PolarHBondContact O-N 2.96Å; L1427-H1429 PolarHBondContact O-N 3.34Å; L1427-R1430 WeakPolarHBondContact O-CB 3.39Å; L1427-R1430 PolarHBondContact O-N 2.9Å; L1427-R1430 VanDerWaalsContact O-N 3.16Å; L1427-F1431 HydrophobicContact CD1-CD2 4.5Å; L1427-F1431 HydrophobicContact CD1-CE2 3.71Å; L1427-F1431 HydrophobicContact CD1-CZ 3.71Å; L1427-F1431 HydrophobicContact CD2-CE2 4.29Å; L1427-F1431 HydrophobicContact CG-CD2 4.32Å; L1427-F1431 HydrophobicContact CG-CE2 3.65Å; L1427-F1431 HydrophobicContact CG-CZ 4.18Å; L1427-F1431 WeakPolarHBondContact O-CD2 3.4Å; L1427-F1431 PolarHBondContact O-N 2.97Å; L1427-F1431 VanDerWaalsContact O-N 3.13Å
1428H94.7Very high91.2Very high18 Ų1839 Ų398%0.08321%0.206CC..Hα-helixtrans-51.8-55.7172.2176.876.3000111.4V1407 Y1409 V1424 R1430 F1431 V1432V1407-H1428 HydrophobicContact CG1-CB 4.33Å; V1407-H1428 WeakPolarHBondContact O-CB 3.36Å; V1407-H1428 PolarHBondContact O-ND1 3.28Å; Y1409-H1428 PolarHBondContact N-ND1 2.95Å; V1424-H1428 WeakPolarHBondContact O-CB 3.16Å; V1424-H1428 PolarHBondContact O-N 3.07Å; H1428-R1430 PolarHBondContact O-N 3.39Å; H1428-F1431 PolarHBondContact O-N 3.27Å; H1428-V1432 WeakPolarHBondContact O-CG2 3.23Å; H1428-V1432 PolarHBondContact O-N 2.96Å
1429H93.3Very high91.6Very high39 Ų3937.9 Ų37.918%0.18120%0.2CC..Hα-helixtrans-59.6-29.4-179-175-106.4000113.4S1053 Y1425 L1427 E1433S1053-H1429 WeakPolarHBondContact CB-CE1 3.3Å; S1053-H1429 WeakPolarHBondContact CB-ND1 3.5Å; S1053-H1429 PolarHBondContact O-ND1 2.97Å; S1053-H1429 PolarHBondContact OG-CE1 3.21Å; S1053-H1429 PolarHBondContact OG-NE2 3.33Å; Y1425-H1429 HydrophobicContact CD1-CB 4.22Å; Y1425-H1429 HydrophobicContact CE1-CB 3.83Å; Y1425-H1429 AromaticContact CE1-CD2 3.86Å; Y1425-H1429 AromaticContact CE1-CG 3.89Å; Y1425-H1429 WeakPolarHBondContact O-CB 3.45Å; Y1425-H1429 PolarHBondContact O-N 2.68Å; L1427-H1429 PolarHBondContact O-N 3.34Å; H1429-E1433 PolarHBondContact O-N 2.96Å
1430R94.5Very high91.6Very high96 Ų9637.5 Ų37.536%0.36220%0.2SC..Hα-helixtrans-71.4-38.4172.9169.6177.9169.4153.1-6.1112.3L1127 S1426 L1427 H1428 M1434L1127-R1430 HydrophobicContact CD2-CG 3.89Å; S1426-R1430 WeakPolarHBondContact O-CB 3.44Å; S1426-R1430 PolarHBondContact O-N 3.03Å; S1426-R1430 VanDerWaalsContact O-N 3.1Å; L1427-R1430 WeakPolarHBondContact O-CB 3.39Å; L1427-R1430 PolarHBondContact O-N 2.9Å; L1427-R1430 VanDerWaalsContact O-N 3.16Å; H1428-R1430 PolarHBondContact O-N 3.39Å; R1430-M1434 WeakPolarHBondContact O-CB 3.4Å; R1430-M1434 PolarHBondContact O-N 3.4Å
1431F96Very high91Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-73.5-39.5173.6-61.8-47.7000112.3L1127 L1131 V1209 A1403 L1404 V1407 L1427 H1428 E1433 M1434 L1435L1127-F1431 HydrophobicContact CD1-CE1 4.38Å; L1127-F1431 HydrophobicContact CD2-CD1 4.19Å; L1127-F1431 HydrophobicContact CD2-CE1 4.28Å; L1127-F1431 HydrophobicContact CG-CE1 4.45Å; L1131-F1431 HydrophobicContact CD1-CD1 4.09Å; L1131-F1431 HydrophobicContact CD1-CE1 4.07Å; L1131-F1431 HydrophobicContact CD2-CE1 4.42Å; V1209-F1431 HydrophobicContact CG1-CE2 3.91Å; V1209-F1431 HydrophobicContact CG1-CZ 3.54Å; A1403-F1431 HydrophobicContact CB-CD1 4.28Å; A1403-F1431 HydrophobicContact CB-CD2 4.14Å; A1403-F1431 HydrophobicContact CB-CE1 4.35Å; A1403-F1431 HydrophobicContact CB-CE2 4.19Å; A1403-F1431 HydrophobicContact CB-CG 4.2Å; A1403-F1431 HydrophobicContact CB-CZ 4.32Å; L1404-F1431 HydrophobicContact CD2-CB 3.75Å; L1404-F1431 HydrophobicContact CG-CB 3.78Å; V1407-F1431 HydrophobicContact CB-CD2 4.38Å; V1407-F1431 HydrophobicContact CB-CE2 4.33Å; V1407-F1431 HydrophobicContact CG2-CE2 4.06Å; L1427-F1431 HydrophobicContact CD1-CD2 4.5Å; L1427-F1431 HydrophobicContact CD1-CE2 3.71Å; L1427-F1431 HydrophobicContact CD1-CZ 3.71Å; L1427-F1431 HydrophobicContact CD2-CE2 4.29Å; L1427-F1431 HydrophobicContact CG-CD2 4.32Å; L1427-F1431 HydrophobicContact CG-CE2 3.65Å; L1427-F1431 HydrophobicContact CG-CZ 4.18Å; L1427-F1431 WeakPolarHBondContact O-CD2 3.4Å; L1427-F1431 PolarHBondContact O-N 2.97Å; L1427-F1431 VanDerWaalsContact O-N 3.13Å; H1428-F1431 PolarHBondContact O-N 3.27Å; F1431-E1433 VanDerWaalsContact C-N 3.28Å; F1431-E1433 PolarHBondContact O-N 3.43Å; F1431-M1434 HydrophobicContact CD1-CE 4.3Å; F1431-M1434 HydrophobicContact CD1-SD 4.38Å; F1431-M1434 PolarHBondContact O-N 3.12Å; F1431-L1435 PolarHBondContact O-N 3.3Å
1432V94.8Very high89.5Confident22 Ų2235.2 Ų35.213%0.13319%0.19CC..Hα-helixtrans-51.6-49.3176.3172.70000110.5L1404 H1428 K1436 F1501 F1505L1404-V1432 HydrophobicContact CD2-CB 4.46Å; L1404-V1432 HydrophobicContact CD2-CG2 3.63Å; H1428-V1432 WeakPolarHBondContact O-CG2 3.23Å; H1428-V1432 PolarHBondContact O-N 2.96Å; V1432-K1436 WeakPolarHBondContact O-CB 3.12Å; V1432-K1436 PolarHBondContact O-N 2.64Å; V1432-F1501 HydrophobicContact CG1-CZ 4.27Å; V1432-F1505 HydrophobicContact CG1-CE2 4.44Å; V1432-F1505 HydrophobicContact CG2-CE2 3.88Å; V1432-F1505 HydrophobicContact CG2-CZ 4.18Å
1433E92.4Very high87.5Confident37 Ų3733.7 Ų33.717%0.17318%0.177CC..Hα-helixtrans-86.9-14.2-176.3-74.7-125.9143.100115.2S1053 H1429 F1431 K1436 S1437S1053-E1433 VanDerWaalsContact CB-CG 3.41Å; S1053-E1433 VanDerWaalsContact CB-OE2 3.25Å; S1053-E1433 WeakPolarHBondContact CB-OE2 3.43Å; S1053-E1433 PolarHBondContact N-OE2 2.77Å; S1053-E1433 WeakPolarHBondContact OG-CG 3.35Å; S1053-E1433 PolarHBondContact OG-OE2 2.79Å; S1053-E1433 VanDerWaalsContact OG-OE2 3.07Å; H1429-E1433 PolarHBondContact O-N 2.96Å; F1431-E1433 VanDerWaalsContact C-N 3.28Å; F1431-E1433 PolarHBondContact O-N 3.43Å; E1433-K1436 HydrophobicContact CG-CD 4.3Å; E1433-K1436 WeakPolarHBondContact OE1-CE 3.37Å; E1433-K1436 IonicContact OE1-NZ 3.38Å; E1433-K1436 PolarHBondContact OE1-NZ 2.84Å; E1433-S1437 WeakPolarHBondContact O-CB 3.41Å; E1433-S1437 PolarHBondContact O-N 3.18Å
1434M94.7Very high84.9Confident3 Ų337.3 Ų37.32%0.01519%0.194CC..Hα-helixtrans-66.6-54.4161.6172-155.274.300110L1127 L1128 L1131 R1430 F1431 K1436 S1437 H1438L1127-M1434 HydrophobicContact CB-CG 4.37Å; L1127-M1434 HydrophobicContact CB-SD 3.93Å; L1127-M1434 HydrophobicContact CD2-CB 4.15Å; L1127-M1434 HydrophobicContact CD2-CG 4.18Å; L1127-M1434 HydrophobicContact CD2-SD 3.69Å; L1127-M1434 HydrophobicContact CG-CG 4.45Å; L1127-M1434 HydrophobicContact CG-SD 3.58Å; L1127-M1434 VanDerWaalsContact CG-SD 3.58Å; L1128-M1434 HydrophobicContact CD2-CE 3.79Å; L1128-M1434 HydrophobicContact CD2-CG 3.92Å; L1128-M1434 HydrophobicContact CD2-SD 3.74Å; L1128-M1434 HydrophobicContact CG-CG 3.83Å; L1128-M1434 HydrophobicContact CG-SD 3.95Å; L1131-M1434 HydrophobicContact CD1-CE 3.52Å; L1131-M1434 HydrophobicContact CD1-SD 3.64Å; R1430-M1434 WeakPolarHBondContact O-CB 3.4Å; R1430-M1434 PolarHBondContact O-N 3.4Å; F1431-M1434 HydrophobicContact CD1-CE 4.3Å; F1431-M1434 HydrophobicContact CD1-SD 4.38Å; F1431-M1434 PolarHBondContact O-N 3.12Å; M1434-K1436 VanDerWaalsContact C-N 3.34Å; M1434-K1436 PolarHBondContact O-N 3.03Å; M1434-S1437 PolarHBondContact O-N 3.42Å; M1434-H1438 PolarHBondContact O-N 3.03Å
1435L93.8Very high82.2Confident0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-59.7-44.3179179.663.1000111.3A1397 L1404 F1431 H1438 C1439 F1501 V1504A1397-L1435 HydrophobicContact CB-CD1 4.16Å; L1404-L1435 HydrophobicContact CD1-CB 4.12Å; L1404-L1435 HydrophobicContact CD1-CD2 3.57Å; L1404-L1435 HydrophobicContact CD1-CG 4.5Å; F1431-L1435 PolarHBondContact O-N 3.3Å; L1435-H1438 WeakPolarHBondContact O-CB 3.48Å; L1435-H1438 PolarHBondContact O-N 3.17Å; L1435-H1438 VanDerWaalsContact O-N 3.16Å; L1435-C1439 WeakPolarHBondContact O-CB 3.36Å; L1435-C1439 PolarHBondContact O-N 3.2Å; L1435-C1439 PolarHBondContact O-SG 3.27Å; L1435-C1439 VanDerWaalsContact O-SG 3.36Å; L1435-F1501 HydrophobicContact CB-CE2 4.3Å; L1435-F1501 HydrophobicContact CD2-CE2 4.16Å; L1435-F1501 HydrophobicContact CG-CD2 4.19Å; L1435-F1501 HydrophobicContact CG-CE2 4.03Å; L1435-V1504 HydrophobicContact CD1-CG1 4.48Å; L1435-V1504 HydrophobicContact CD2-CG1 4.21Å
1436K92.7Very high79.5Confident52 Ų5244.8 Ų44.823%0.22623%0.233CC..Hα-helixtrans-63.5-41.3175.4-173.2178.2169.2-169.40113.4V1432 E1433 M1434 H1438 C1440 F1501V1432-K1436 WeakPolarHBondContact O-CB 3.12Å; V1432-K1436 PolarHBondContact O-N 2.64Å; E1433-K1436 HydrophobicContact CG-CD 4.3Å; E1433-K1436 WeakPolarHBondContact OE1-CE 3.37Å; E1433-K1436 IonicContact OE1-NZ 3.38Å; E1433-K1436 PolarHBondContact OE1-NZ 2.84Å; M1434-K1436 VanDerWaalsContact C-N 3.34Å; M1434-K1436 PolarHBondContact O-N 3.03Å; K1436-H1438 PolarHBondContact O-N 3.36Å; K1436-C1440 WeakPolarHBondContact O-CB 3.44Å; K1436-C1440 PolarHBondContact O-N 2.99Å; K1436-C1440 PolarHBondContact O-SG 3.15Å; K1436-C1440 VanDerWaalsContact O-SG 3.33Å; K1436-F1501 HydrophobicContact CB-CD1 4.29Å; K1436-F1501 HydrophobicContact CB-CD2 3.75Å; K1436-F1501 HydrophobicContact CB-CE1 4.11Å; K1436-F1501 HydrophobicContact CB-CE2 3.54Å; K1436-F1501 HydrophobicContact CB-CG 4.12Å; K1436-F1501 HydrophobicContact CB-CZ 3.74Å; K1436-F1501 HydrophobicContact CD-CD1 4.36Å; K1436-F1501 HydrophobicContact CD-CE1 3.98Å; K1436-F1501 HydrophobicContact CD-CZ 4.2Å; K1436-F1501 HydrophobicContact CG-CD1 3.92Å; K1436-F1501 HydrophobicContact CG-CD2 4.21Å; K1436-F1501 HydrophobicContact CG-CE1 3.95Å; K1436-F1501 HydrophobicContact CG-CE2 4.23Å; K1436-F1501 HydrophobicContact CG-CG 4.05Å; K1436-F1501 HydrophobicContact CG-CZ 4.11Å
1437S89.5Confident76.4Confident51 Ų5151.4 Ų51.436%0.35727%0.268SS..Hα-helixtrans-63.8-31.7174.6-174.40000111.5E1433 M1434 S1441E1433-S1437 WeakPolarHBondContact O-CB 3.41Å; E1433-S1437 PolarHBondContact O-N 3.18Å; M1434-S1437 PolarHBondContact O-N 3.42Å; S1437-S1441 VanDerWaalsContact O-CB 3.3Å; S1437-S1441 WeakPolarHBondContact O-CB 3.13Å; S1437-S1441 PolarHBondContact O-N 2.7Å; S1437-S1441 PolarHBondContact O-OG 3.27Å
1438H90.7Very high73.1Confident33 Ų3357.4 Ų57.415%0.15330%0.299CS..Hα-helixtrans-73.4-60.5177.2-176.468.2000111.8L1128 D1394 N1396 M1434 L1435 K1436 C1440 S1441 S1442L1128-H1438 HydrophobicContact CD1-CB 3.99Å; D1394-H1438 VanDerWaalsContact CG-NE2 3.3Å; D1394-H1438 IonicContact OD1-CD2 3.09Å; D1394-H1438 IonicContact OD1-CE1 3.85Å; D1394-H1438 IonicContact OD1-NE2 2.78Å; D1394-H1438 PolarHBondContact OD1-NE2 2.73Å; D1394-H1438 IonicContact OD2-CD2 2.78Å; D1394-H1438 IonicContact OD2-NE2 3.95Å; D1394-H1438 PolarHBondContact OD2-NE2 2.77Å; D1394-H1438 VanDerWaalsContact OD2-NE2 3.17Å; N1396-H1438 WeakPolarHBondContact CB-NE2 3.34Å; M1434-H1438 PolarHBondContact O-N 3.03Å; L1435-H1438 WeakPolarHBondContact O-CB 3.48Å; L1435-H1438 PolarHBondContact O-N 3.17Å; L1435-H1438 VanDerWaalsContact O-N 3.16Å; K1436-H1438 PolarHBondContact O-N 3.36Å; H1438-C1440 PolarHBondContact O-N 3.18Å; H1438-C1440 VanDerWaalsContact O-N 3.12Å; H1438-S1441 WeakPolarHBondContact O-CA 3.22Å; H1438-S1441 PolarHBondContact O-N 3.47Å; H1438-S1442 PolarHBondContact O-N 3.18Å; H1438-S1442 PolarHBondContact O-OG 2.73Å
1439C89.4Confident69.9Low3 Ų361.9 Ų61.92%0.0233%0.328CS..Hα-helixtrans-57.9-29.2179.9-64.80000113.5L1435 Y1500 F1501L1435-C1439 WeakPolarHBondContact O-CB 3.36Å; L1435-C1439 PolarHBondContact O-N 3.2Å; L1435-C1439 PolarHBondContact O-SG 3.27Å; L1435-C1439 VanDerWaalsContact O-SG 3.36Å; C1439-Y1500 HydrophobicContact CB-CD1 3.73Å; C1439-Y1500 HydrophobicContact CB-CE1 3.94Å; C1439-F1501 HydrophobicContact CB-CB 3.72Å; C1439-F1501 HydrophobicContact CB-CD2 4.24Å; C1439-F1501 HydrophobicContact CB-CG 4.46Å
1440C84.3Confident66.6Low72 Ų7265.5 Ų65.549%0.48635%0.353SS..Hα-helixtrans-87.7-4.1174.1-63.80000114.7K1436 H1438K1436-C1440 WeakPolarHBondContact O-CB 3.44Å; K1436-C1440 PolarHBondContact O-N 2.99Å; K1436-C1440 PolarHBondContact O-SG 3.15Å; K1436-C1440 VanDerWaalsContact O-SG 3.33Å; H1438-C1440 PolarHBondContact O-N 3.18Å; H1438-C1440 VanDerWaalsContact O-N 3.12Å
1441S73.5Confident63.3Low62 Ų6268.4 Ų68.443%0.43438%0.376SS..Hα-helixtrans-102.3-30.5172.9-81.20000113S1437 H1438 T1443 Q1444S1437-S1441 VanDerWaalsContact O-CB 3.3Å; S1437-S1441 WeakPolarHBondContact O-CB 3.13Å; S1437-S1441 PolarHBondContact O-N 2.7Å; S1437-S1441 PolarHBondContact O-OG 3.27Å; H1438-S1441 WeakPolarHBondContact O-CA 3.22Å; H1438-S1441 PolarHBondContact O-N 3.47Å; S1441-T1443 PolarHBondContact O-N 2.77Å; S1441-T1443 VanDerWaalsContact O-N 3.15Å; S1441-Q1444 PolarHBondContact O-N 3.1Å
1442S55.7Low59.9Low16 Ų1675.4 Ų75.411%0.11242%0.419CS..Hα-helixtrans-53.6-34.7176-570000112.6D1394 H1438 Q1444 H1445D1394-S1442 PolarHBondContact OD2-OG 3.03Å; H1438-S1442 PolarHBondContact O-N 3.18Å; H1438-S1442 PolarHBondContact O-OG 2.73Å; S1442-Q1444 PolarHBondContact O-N 3.14Å; S1442-H1445 PolarHBondContact O-N 2.76Å
1443T46.4Very low56.7Low46 Ų4683.8 Ų83.828%0.28246%0.457SS..Hα-helixtrans-69.6-5.517857.80000115.3S1441 R1495S1441-T1443 PolarHBondContact O-N 2.77Å; S1441-T1443 VanDerWaalsContact O-N 3.15Å; T1443-R1495 WeakPolarHBondContact CG2-O 3.17Å
1444Q35.2Very low53.5Low149 Ų14987 Ų8770%0.69648%0.483SS*.Hα-helixtrans-107.6-15.8177.3-63.2-161.8-22.500114.1S1441 S1442S1441-Q1444 PolarHBondContact O-N 3.1Å; S1442-Q1444 PolarHBondContact O-N 3.14Å
1445H35.3Very low50.2Low140 Ų14092.9 Ų92.965%0.64853%0.525SS*.Hα-helixtrans-95.9-14.5-171.7-109.6-75.8000115.6S1442S1442-H1445 PolarHBondContact O-N 2.76Å
1446I35.8Very low47.1Very low82 Ų8299.9 Ų99.942%0.42156%0.561SS.*G310 helixtrans-75.1-24.6-179.3-62.5175.2000112.1L1448I1446-L1448 VanDerWaalsContact C-N 3.26Å; I1446-L1448 PolarHBondContact O-N 2.82Å
1447N27.4Very low43.9Very low143 Ų143104.3 Ų104.377%0.76559%0.586SS**G310 helixtrans-82.513.9179.7-76.2-30.1000114.8
1448L26.2Very low41Very low141 Ų141108.6 Ų108.674%0.73861%0.605SS**G310 helixtrans-137.218.4-173.1-93.9167.1000115.1I1446I1446-L1448 VanDerWaalsContact C-N 3.26Å; I1446-L1448 PolarHBondContact O-N 2.82Å
1449T25.6Very low37.9Very low113 Ų113113.3 Ų113.369%0.69363%0.631SS**SBendtrans-134.231.5176.457.70000114.1
1450T25.8Very low34.8Very low115 Ų115117.5 Ų117.571%0.70666%0.66SS**  trans-136.268174.557.50000111.8
1451N24.4Very low32.1Very low157 Ų157119.3 Ų119.384%0.8467%0.669SS**SBendtrans-174.278160.9-102-18.9000110.7
1452T25Very low29.8Very low146 Ų146124.3 Ų124.390%0.89669%0.685SS**SBendtrans170.770150.527.10000112.2
1453Q26.2Very low28.3Very low199 Ų199128.9 Ų128.993%0.9371%0.713SS**  trans-16893150.3-115174.713.400111
1454S26.6Very low27.3Very low104 Ų104132.1 Ų132.173%0.72773%0.733SS**  trans-160.765.9170.758.60000111.5
1455S25.3Very low26.8Very low127 Ų127131.5 Ų131.589%0.88873%0.734SS**  trans-130.3121.3141.452.40000106.9
1456L27.4Very low26.4Very low147 Ų147132 Ų13277%0.7774%0.742SS**  trans-128.8141.5-169.1-101.4173.9000108.9
1457L27.1Very low25.9Very low144 Ų144135.1 Ų135.175%0.75476%0.758SS**  trans68.6161.1161.2-56.3163.4000114.8
1458L27.2Very low25.8Very low141 Ų141135.2 Ų135.274%0.73876%0.757SS**  cis-142.7168.10.5-135.5147.7000110.5
1459D25.5Very low25.7Very low133 Ų133133.6 Ų133.671%0.71176%0.757SS**  trans-53.1165.2173.6-67.6-75.2000116.1
1460S25.6Very low25.7Very low90 Ų90132.6 Ų132.663%0.62976%0.755SS**  cis-165.8167-10.147.70000112.3
1461T26.5Very low25.7Very low111 Ų111133.8 Ų133.868%0.68176%0.756SS**  trans65.3123.4146.642.90000122.5
1462H25.9Very low25.8Very low166 Ų166133.4 Ų133.477%0.76975%0.749SS**  trans87.2116.4140.8-78.2-64.5000122.7
1463T24.2Very low26Very low113 Ų113132.6 Ų132.669%0.69374%0.738SS**  trans75.7108.9142.444.70000121.5
1464T24.9Very low26.1Very low114 Ų114129.6 Ų129.670%0.69973%0.729SS**  trans68.5106.5136.455.20000120.9
1465N25.8Very low26.5Very low136 Ų136129.2 Ų129.273%0.72772%0.724SS**  trans65.998.2130.1-58.8-7.2000120.6
1466N25.5Very low26.6Very low150 Ų150128.5 Ų128.580%0.80272%0.719SS**  trans72.2157.6132.3-58.9-17.9000120.7
1467I26.5Very low26.7Very low148 Ų148130.8 Ų130.876%0.75972%0.717SS**  trans85.382.4165.5-50-179.6000116.7
1468I24.8Very low26.7Very low144 Ų144132.9 Ų132.974%0.73872%0.72SS**  55.8122.1114.5-60.7159.8000119.2
1469S24.1Very low26.9Very low107 Ų107134.1 Ų134.175%0.74873%0.726SS**  trans73.3155.3151.180.60000118.7
1470S25Very low26.9Very low93 Ų93133.2 Ų133.265%0.6572%0.721SS**  cis-175.4177.6-22.855.50000112
1471I25.7Very low27.1Very low140 Ų140138 Ų13872%0.71873%0.73SS**  trans84.7108.8146.6-77.7165.5000120.5
1472H27.6Very low27.1Very low149 Ų149140 Ų14069%0.6974%0.736SS**  trans79.8120.6134.8-79.6-125.9000125.2
1473N28.9Very low27.3Very low128 Ų128139.3 Ų139.368%0.68474%0.737SS**  70.3147.7124.6-68.18.2000122.1
1474N28.5Very low27.7Very low137 Ų137137.5 Ų137.573%0.73373%0.727SS**  cis-161.8-167.3-26.6-138.1-9.4000109.2
1475P34.4Very low27.9Very low96 Ų96138.4 Ų138.462%0.62373%0.728SS**  -134177.1-12644.9-26.1000119.7
1476S27.6Very low27.9Very low111 Ų111138.1 Ų138.178%0.77673%0.726SS**  trans78.4154.6157.2-53.80000118.6
1477R28.4Very low28Very low195 Ų195139.5 Ų139.574%0.73673%0.727SS**  cis-142.6145.219.6-68.1174.8173.2176.42.1116.1N1315N1315-R1477 PolarHBondContact OD1-NH1 2.9Å
1478K27.6Very low28.1Very low188 Ų188139.9 Ų139.982%0.81773%0.729SS**  trans20.8134.3141.6-59.7-175.5176.5-1750123
1479I30.9Very low28.3Very low167 Ų167139 Ų13986%0.85673%0.731SS**  -137.2145.3125.4-65.8-172.6000108.8
1480N27.1Very low28.7Very low114 Ų114138.5 Ų138.561%0.6173%0.727SS**  trans-122.6148.3171.1-74.812.5000110.4
1481K29.8Very low29.4Very low190 Ų190137.7 Ų137.783%0.82672%0.718SS**  trans179.5159.4130-106.9177.4178.9-1760114.6
1482L25.3Very low30.3Very low154 Ų154134.4 Ų134.481%0.80671%0.708SS**  trans68.1135.9-178.5-51.4170.9000112.3
1483I31Very low31.2Very low151 Ų151133.2 Ų133.277%0.77471%0.706SS**  cis-117.3153.819.4-67.3166.9000110.9
1484P33.1Very low32.3Very low76 Ų76130.3 Ų130.349%0.49469%0.69SS.*  trans-84.3150.1177.633.1-36.1000115.1L18L18-P1484 HydrophobicContact CD1-CB 3.73Å; L18-P1484 HydrophobicContact CD2-CB 3.81Å; L18-P1484 HydrophobicContact CG-CB 4.34Å
1485N27.6Very low33.8Very low133 Ų133126.4 Ų126.471%0.71167%0.665SS**  trans-113.3132.3164.1-86.7-11.6000109.4
1486D26.1Very low34.8Very low129 Ų129125.7 Ų125.769%0.6966%0.656SS**  trans-163157.7154.6-97.6-44.9000109.7
1487H27.4Very low36.6Very low179 Ų179123.8 Ų123.883%0.82964%0.637SS**  trans92.943.6-179.2-61.8-69.8000121.3
1488I29.2Very low38.8Very low157 Ų157120.1 Ų120.181%0.80564%0.641SS**  trans-137.362.5157.2-42.4177.8000112.5
1489T29.5Very low41.7Very low125 Ų125113.9 Ų113.977%0.76762%0.619SS**SBendtrans-142.17.9-177.844.30000116.2
1490S32.2Very low44.7Very low96 Ų96106 Ų10667%0.67158%0.578SS**SBendtrans-113.5-19.3-17755.90000115.9
1491T39.7Very low47.8Very low76 Ų76101.9 Ų101.947%0.46656%0.555SS.*SBendtrans-81.1-43.5-168.646.10000114.3Q1392 L1493Q1392-T1491 PolarHBondContact NE2-O 2.67Å; Q1392-T1491 PolarHBondContact OE1-O 2.7Å; T1491-L1493 PolarHBondContact O-N 3.18Å
1492S44.5Very low50.9Low72 Ų7295.7 Ų95.750%0.50354%0.536SS..THydrogen-bonded Turntrans-69.6-2.7-169.159.10000116.1N1496S1492-N1496 PolarHBondContact O-ND2 3.47Å
1493L45.6Very low54.1Low123 Ų12390.9 Ų90.964%0.64451%0.508SS*.THydrogen-bonded Turntrans-72.5-33.9179.7-73.6164.1000112.8T1491 R1495 N1496T1491-L1493 PolarHBondContact O-N 3.18Å; L1493-R1495 VanDerWaalsContact C-N 3.33Å; L1493-R1495 PolarHBondContact O-N 3.35Å; L1493-N1496 PolarHBondContact O-N 3.17Å
1494L53.6Low57.2Low67 Ų6783.7 Ų83.735%0.35147%0.472SS..THydrogen-bonded Turntrans-63.1-31.7-171.2-84.3164.5000114.7D1497L1494-D1497 WeakPolarHBondContact O-CB 3.42Å
1495R59.6Low60.1Low56 Ų5682.3 Ų82.321%0.21146%0.458CS..THydrogen-bonded Turntrans-81.3-20.2-179.4-165.2170.6178.5-165.1-5.3113.4Q1392 D1394 T1443 L1493 D1497 Y1500Q1392-R1495 PolarHBondContact O-NH1 2.96Å; D1394-R1495 IonicContact OD1-NH2 3.62Å; D1394-R1495 IonicContact OD2-CZ 3.16Å; D1394-R1495 IonicContact OD2-NE 2.7Å; D1394-R1495 PolarHBondContact OD2-NE 3.45Å; D1394-R1495 IonicContact OD2-NH2 2.94Å; D1394-R1495 PolarHBondContact OD2-NH2 3.03Å; T1443-R1495 WeakPolarHBondContact CG2-O 3.17Å; L1493-R1495 VanDerWaalsContact C-N 3.33Å; L1493-R1495 PolarHBondContact O-N 3.35Å; R1495-D1497 VanDerWaalsContact C-N 3.33Å; R1495-Y1500 HydrophobicContact CG-CD1 4.49Å; R1495-Y1500 HydrophobicContact CG-CE1 4.23Å; R1495-Y1500 HydrophobicContact CG-CE2 4.41Å
1496N55.5Low63.2Low80 Ų8081.4 Ų81.443%0.42845%0.449SS..THydrogen-bonded Turntrans-85.6-7.8178.3-73-50.6000113.4S1492 L1493S1492-N1496 PolarHBondContact O-ND2 3.47Å; L1493-N1496 PolarHBondContact O-N 3.17Å
1497D64.6Low66.5Low71 Ų7176.2 Ų76.238%0.3842%0.421SS..SBendtrans-68.8132.8-179.9-128.2-4.3000111.7L1494 R1495 T1499 Y1500 K1503L1494-D1497 WeakPolarHBondContact O-CB 3.42Å; R1495-D1497 VanDerWaalsContact C-N 3.33Å; D1497-T1499 PolarHBondContact O-N 3.31Å; D1497-T1499 PolarHBondContact OD2-OG1 3.31Å; D1497-Y1500 VanDerWaalsContact O-CB 3.3Å; D1497-Y1500 WeakPolarHBondContact O-CB 3.27Å; D1497-Y1500 PolarHBondContact O-N 2.91Å; D1497-K1503 IonicContact OD2-NZ 3.76Å; D1497-K1503 PolarHBondContact OD2-NZ 3.42Å
1498S75.6Confident69.6Low118 Ų11867.8 Ų67.883%0.82538%0.382SS*.THydrogen-bonded Turntrans-61.9-11.4174.367.20000113.9
1499T87.8Confident72.5Confident57 Ų5762.8 Ų62.835%0.3536%0.357SS..THydrogen-bonded Turntrans-91-6.6176.360.50000113.7D1497 F1501 S1502 K1503D1497-T1499 PolarHBondContact O-N 3.31Å; D1497-T1499 PolarHBondContact OD2-OG1 3.31Å; T1499-F1501 PolarHBondContact O-N 3.01Å; T1499-S1502 WeakPolarHBondContact O-CA 3.46Å; T1499-S1502 WeakPolarHBondContact O-CB 3.27Å; T1499-S1502 PolarHBondContact O-N 2.78Å; T1499-K1503 PolarHBondContact O-N 3.08Å; T1499-K1503 WeakPolarHBondContact OG1-CE 3.13Å; T1499-K1503 PolarHBondContact OG1-NZ 2.84Å
1500Y93Very high75.5Confident1 Ų159.5 Ų59.50%0.00434%0.336CS..Hα-helixtrans-52.1-47.8-175.1175-118.4000113L1390 I1391 D1394 C1439 R1495 D1497 S1502 K1503 V1504L1390-Y1500 HydrophobicContact CD1-CD2 4.39Å; L1390-Y1500 HydrophobicContact CD1-CE2 4.48Å; L1390-Y1500 WeakPolarHBondContact O-CE2 3.2Å; I1391-Y1500 PolarHBondContact O-OH 3.27Å; D1394-Y1500 VanDerWaalsContact CB-OH 3.24Å; D1394-Y1500 WeakPolarHBondContact CB-OH 3.45Å; C1439-Y1500 HydrophobicContact CB-CD1 3.73Å; C1439-Y1500 HydrophobicContact CB-CE1 3.94Å; R1495-Y1500 HydrophobicContact CG-CD1 4.49Å; R1495-Y1500 HydrophobicContact CG-CE1 4.23Å; R1495-Y1500 HydrophobicContact CG-CE2 4.41Å; D1497-Y1500 VanDerWaalsContact O-CB 3.3Å; D1497-Y1500 WeakPolarHBondContact O-CB 3.27Å; D1497-Y1500 PolarHBondContact O-N 2.91Å; Y1500-S1502 VanDerWaalsContact C-N 3.32Å; Y1500-S1502 PolarHBondContact O-N 2.95Å; Y1500-K1503 PolarHBondContact O-N 3.07Å; Y1500-V1504 HydrophobicContact CD2-CG2 4.03Å; Y1500-V1504 HydrophobicContact CE2-CG2 3.59Å; Y1500-V1504 WeakPolarHBondContact O-CG2 3.27Å; Y1500-V1504 PolarHBondContact O-N 2.87Å
1501F94Very high78.4Confident29 Ų2954.9 Ų54.913%0.12730%0.304CS..Hα-helixtrans-55.4-44.8173.9169.8-107.8000112.5V1432 L1435 K1436 C1439 T1499 V1504 F1505V1432-F1501 HydrophobicContact CG1-CZ 4.27Å; L1435-F1501 HydrophobicContact CB-CE2 4.3Å; L1435-F1501 HydrophobicContact CD2-CE2 4.16Å; L1435-F1501 HydrophobicContact CG-CD2 4.19Å; L1435-F1501 HydrophobicContact CG-CE2 4.03Å; K1436-F1501 HydrophobicContact CB-CD1 4.29Å; K1436-F1501 HydrophobicContact CB-CD2 3.75Å; K1436-F1501 HydrophobicContact CB-CE1 4.11Å; K1436-F1501 HydrophobicContact CB-CE2 3.54Å; K1436-F1501 HydrophobicContact CB-CG 4.12Å; K1436-F1501 HydrophobicContact CB-CZ 3.74Å; K1436-F1501 HydrophobicContact CD-CD1 4.36Å; K1436-F1501 HydrophobicContact CD-CE1 3.98Å; K1436-F1501 HydrophobicContact CD-CZ 4.2Å; K1436-F1501 HydrophobicContact CG-CD1 3.92Å; K1436-F1501 HydrophobicContact CG-CD2 4.21Å; K1436-F1501 HydrophobicContact CG-CE1 3.95Å; K1436-F1501 HydrophobicContact CG-CE2 4.23Å; K1436-F1501 HydrophobicContact CG-CG 4.05Å; K1436-F1501 HydrophobicContact CG-CZ 4.11Å; C1439-F1501 HydrophobicContact CB-CB 3.72Å; C1439-F1501 HydrophobicContact CB-CD2 4.24Å; C1439-F1501 HydrophobicContact CB-CG 4.46Å; T1499-F1501 PolarHBondContact O-N 3.01Å; F1501-V1504 PolarHBondContact O-N 3Å; F1501-F1505 HydrophobicContact CD2-CB 4.48Å; F1501-F1505 HydrophobicContact CE1-CB 4.33Å; F1501-F1505 HydrophobicContact CE1-CG 4.48Å; F1501-F1505 HydrophobicContact CE2-CB 3.97Å; F1501-F1505 HydrophobicContact CE2-CD2 4.31Å; F1501-F1505 HydrophobicContact CE2-CG 4.31Å; F1501-F1505 HydrophobicContact CZ-CB 3.88Å; F1501-F1505 HydrophobicContact CZ-CD2 4.06Å; F1501-F1505 AromaticContact CZ-CG 3.88Å; F1501-F1505 HydrophobicContact CZ-CG 3.88Å; F1501-F1505 WeakPolarHBondContact O-CB 3.17Å; F1501-F1505 PolarHBondContact O-N 3.25Å
1502S93.2Very high80.9Confident59 Ų5952.1 Ų52.141%0.41329%0.286SS..Hα-helixtrans-64.8-45.8-179.7-55.70000111.3T1499 Y1500 V1504 F1505 Q1506T1499-S1502 WeakPolarHBondContact O-CA 3.46Å; T1499-S1502 WeakPolarHBondContact O-CB 3.27Å; T1499-S1502 PolarHBondContact O-N 2.78Å; Y1500-S1502 VanDerWaalsContact C-N 3.32Å; Y1500-S1502 PolarHBondContact O-N 2.95Å; S1502-V1504 VanDerWaalsContact C-N 3.34Å; S1502-V1504 PolarHBondContact O-N 3.5Å; S1502-F1505 PolarHBondContact O-N 3.19Å; S1502-Q1506 WeakPolarHBondContact O-CB 3.39Å; S1502-Q1506 VanDerWaalsContact O-CG 3.23Å; S1502-Q1506 WeakPolarHBondContact O-CG 3.25Å; S1502-Q1506 PolarHBondContact O-N 3.02Å; S1502-Q1506 PolarHBondContact O-OE1 3.41Å
1503K93.9Very high83.1Confident54 Ų5455 Ų5524%0.23529%0.291CS..Hα-helixtrans-58.6-44178.4-66.8174.8-178.1167.90111.8L1390 D1497 T1499 Y1500 Q1507L1390-K1503 HydrophobicContact CD1-CB 3.64Å; L1390-K1503 HydrophobicContact CD1-CD 4.07Å; L1390-K1503 HydrophobicContact CD1-CG 4.49Å; L1390-K1503 HydrophobicContact CD2-CB 4.39Å; D1497-K1503 IonicContact OD2-NZ 3.76Å; D1497-K1503 PolarHBondContact OD2-NZ 3.42Å; T1499-K1503 PolarHBondContact O-N 3.08Å; T1499-K1503 WeakPolarHBondContact OG1-CE 3.13Å; T1499-K1503 PolarHBondContact OG1-NZ 2.84Å; Y1500-K1503 PolarHBondContact O-N 3.07Å; K1503-Q1507 WeakPolarHBondContact O-CG 3.37Å; K1503-Q1507 PolarHBondContact O-NE2 3.16Å
1504V94.7Very high85.3Confident0 Ų049.8 Ų49.80%026%0.264CS..Hα-helixtrans-69-45.9175.9175.30000111.4L1390 I1391 A1397 L1401 L1435 Y1500 F1501 S1502 Q1506 Q1507L1390-V1504 HydrophobicContact CD1-CG2 4.44Å; L1390-V1504 HydrophobicContact CD2-CG2 4.08Å; L1390-V1504 HydrophobicContact CG-CG2 4.14Å; I1391-V1504 HydrophobicContact CG1-CG2 4.31Å; A1397-V1504 HydrophobicContact CB-CG1 4.24Å; L1401-V1504 HydrophobicContact CD2-CG1 4.4Å; L1435-V1504 HydrophobicContact CD1-CG1 4.48Å; L1435-V1504 HydrophobicContact CD2-CG1 4.21Å; Y1500-V1504 HydrophobicContact CD2-CG2 4.03Å; Y1500-V1504 HydrophobicContact CE2-CG2 3.59Å; Y1500-V1504 WeakPolarHBondContact O-CG2 3.27Å; Y1500-V1504 PolarHBondContact O-N 2.87Å; F1501-V1504 PolarHBondContact O-N 3Å; S1502-V1504 VanDerWaalsContact C-N 3.34Å; S1502-V1504 PolarHBondContact O-N 3.5Å; V1504-Q1506 VanDerWaalsContact C-N 3.27Å; V1504-Q1506 PolarHBondContact O-N 3.29Å; V1504-Q1507 WeakPolarHBondContact O-CB 3.47Å; V1504-Q1507 WeakPolarHBondContact O-CG 3.44Å; V1504-Q1507 PolarHBondContact O-N 3.19Å; V1504-Q1507 VanDerWaalsContact O-N 3.1Å
1505F94.1Very high87.2Confident47 Ų4746.6 Ų46.621%0.20625%0.247CC..Hα-helixtrans-64.8-31.1-178.9-176-107.4000113L1404 V1432 F1501 S1502 Q1507 K1508L1404-F1505 HydrophobicContact CD1-CD2 4.06Å; L1404-F1505 HydrophobicContact CD1-CE2 4.09Å; L1404-F1505 HydrophobicContact CD2-CE2 4.34Å; V1432-F1505 HydrophobicContact CG1-CE2 4.44Å; V1432-F1505 HydrophobicContact CG2-CE2 3.88Å; V1432-F1505 HydrophobicContact CG2-CZ 4.18Å; F1501-F1505 HydrophobicContact CD2-CB 4.48Å; F1501-F1505 HydrophobicContact CE1-CB 4.33Å; F1501-F1505 HydrophobicContact CE1-CG 4.48Å; F1501-F1505 HydrophobicContact CE2-CB 3.97Å; F1501-F1505 HydrophobicContact CE2-CD2 4.31Å; F1501-F1505 HydrophobicContact CE2-CG 4.31Å; F1501-F1505 HydrophobicContact CZ-CB 3.88Å; F1501-F1505 HydrophobicContact CZ-CD2 4.06Å; F1501-F1505 AromaticContact CZ-CG 3.88Å; F1501-F1505 HydrophobicContact CZ-CG 3.88Å; F1501-F1505 WeakPolarHBondContact O-CB 3.17Å; F1501-F1505 PolarHBondContact O-N 3.25Å; S1502-F1505 PolarHBondContact O-N 3.19Å; F1505-Q1507 VanDerWaalsContact C-N 3.3Å; F1505-Q1507 PolarHBondContact O-N 3.44Å; F1505-K1508 HydrophobicContact CD2-CD 4.48Å; F1505-K1508 HydrophobicContact CE2-CD 4.03Å; F1505-K1508 HydrophobicContact CZ-CD 4.25Å; F1505-K1508 WeakPolarHBondContact O-CG 3.13Å
1506Q93.2Very high88.6Confident113 Ų11345.9 Ų45.953%0.52824%0.244SC..Hα-helixtrans-69.2-23174.5-76.2171.3-58.500113.3S1502 V1504 K1508 D1509 V1510S1502-Q1506 WeakPolarHBondContact O-CB 3.39Å; S1502-Q1506 VanDerWaalsContact O-CG 3.23Å; S1502-Q1506 WeakPolarHBondContact O-CG 3.25Å; S1502-Q1506 PolarHBondContact O-N 3.02Å; S1502-Q1506 PolarHBondContact O-OE1 3.41Å; V1504-Q1506 VanDerWaalsContact C-N 3.27Å; V1504-Q1506 PolarHBondContact O-N 3.29Å; Q1506-K1508 PolarHBondContact O-N 3.5Å; Q1506-D1509 PolarHBondContact O-N 2.79Å; Q1506-V1510 PolarHBondContact O-N 2.89Å
1507Q94.7Very high90.2Very high21 Ų2148 Ų4810%0.09825%0.252CS..Hα-helixtrans-58.6-33179.9-61.2-52.7-61.200112.4L1387 L1390 L1401 K1503 V1504 F1505 D1509 V1510 I1511L1387-Q1507 HydrophobicContact CD2-CB 4.4Å; L1387-Q1507 HydrophobicContact CD2-CG 4.08Å; L1390-Q1507 HydrophobicContact CD2-CG 3.74Å; L1401-Q1507 HydrophobicContact CD2-CB 3.83Å; L1401-Q1507 HydrophobicContact CD2-CG 4.48Å; K1503-Q1507 WeakPolarHBondContact O-CG 3.37Å; K1503-Q1507 PolarHBondContact O-NE2 3.16Å; V1504-Q1507 WeakPolarHBondContact O-CB 3.47Å; V1504-Q1507 WeakPolarHBondContact O-CG 3.44Å; V1504-Q1507 PolarHBondContact O-N 3.19Å; V1504-Q1507 VanDerWaalsContact O-N 3.1Å; F1505-Q1507 VanDerWaalsContact C-N 3.3Å; F1505-Q1507 PolarHBondContact O-N 3.44Å; Q1507-D1509 PolarHBondContact O-N 2.89Å; Q1507-V1510 PolarHBondContact O-N 2.92Å; Q1507-I1511 HydrophobicContact CB-CD1 4.23Å; Q1507-I1511 WeakPolarHBondContact O-CB 3.21Å; Q1507-I1511 VanDerWaalsContact O-CD1 3.24Å; Q1507-I1511 WeakPolarHBondContact O-CD1 3.49Å; Q1507-I1511 WeakPolarHBondContact O-CG1 3.3Å; Q1507-I1511 PolarHBondContact O-N 3.06Å
1508K92.6Very high91.6Very high1 Ų148.8 Ų48.80%0.00425%0.25CS..Hα-helixtrans-60.1-32.5177.184.7-175-175.360.90112.8L1401 I1405 N1408 F1505 Q1506 H1512L1401-K1508 HydrophobicContact CD1-CB 3.9Å; I1405-K1508 HydrophobicContact CG1-CB 3.82Å; N1408-K1508 VanDerWaalsContact CG-NZ 3.3Å; N1408-K1508 PolarHBondContact ND2-NZ 2.96Å; N1408-K1508 VanDerWaalsContact ND2-NZ 3.13Å; N1408-K1508 PolarHBondContact OD1-NZ 3.24Å; F1505-K1508 HydrophobicContact CD2-CD 4.48Å; F1505-K1508 HydrophobicContact CE2-CD 4.03Å; F1505-K1508 HydrophobicContact CZ-CD 4.25Å; F1505-K1508 WeakPolarHBondContact O-CG 3.13Å; Q1506-K1508 PolarHBondContact O-N 3.5Å; K1508-H1512 WeakPolarHBondContact O-CB 3.4Å; K1508-H1512 PolarHBondContact O-N 3.34Å
1509D90.4Very high92.3Very high53 Ų5343.2 Ų43.228%0.28321%0.211SC..Hα-helixtrans-79.1-40.1179.9-70.8-7.7000109.1K1410 Q1506 Q1507 H1512 E1513K1410-D1509 IonicContact NZ-OD1 3.33Å; K1410-D1509 IonicContact NZ-OD2 2.9Å; K1410-D1509 PolarHBondContact NZ-OD2 3.26Å; Q1506-D1509 PolarHBondContact O-N 2.79Å; Q1507-D1509 PolarHBondContact O-N 2.89Å; D1509-H1512 PolarHBondContact O-N 2.71Å; D1509-E1513 PolarHBondContact O-N 3.48Å
1510V92.9Very high92.3Very high55 Ų5541.1 Ų41.133%0.33320%0.198SC..Hα-helixtrans-61.6-43.4173.6178.80000112.3Q1506 Q1507 H1512 E1513 M1514Q1506-V1510 PolarHBondContact O-N 2.89Å; Q1507-V1510 PolarHBondContact O-N 2.92Å; V1510-H1512 VanDerWaalsContact C-N 3.31Å; V1510-H1512 PolarHBondContact O-N 2.78Å; V1510-E1513 PolarHBondContact O-N 3.05Å; V1510-M1514 VanDerWaalsContact O-CB 3.31Å; V1510-M1514 WeakPolarHBondContact O-CB 3.46Å; V1510-M1514 PolarHBondContact O-N 3.2Å
1511I94.2Very high92.1Very high0 Ų046.4 Ų46.40%022%0.222CC..Hα-helixtrans-62.8-40.7178.4-69.9157.9000110.7D1230 F1234 L1383 I1405 Q1507 T1515D1230-I1511 HydrophobicContact CB-CG2 4.1Å; D1230-I1511 VanDerWaalsContact O-CG2 3.28Å; D1230-I1511 WeakPolarHBondContact O-CG2 3.19Å; F1234-I1511 HydrophobicContact CB-CD1 4.07Å; F1234-I1511 HydrophobicContact CB-CG2 4.29Å; F1234-I1511 HydrophobicContact CD2-CD1 3.4Å; F1234-I1511 VanDerWaalsContact CD2-CD1 3.4Å; F1234-I1511 HydrophobicContact CE2-CD1 4.15Å; F1234-I1511 HydrophobicContact CG-CD1 4Å; L1383-I1511 HydrophobicContact CD1-CG1 4.18Å; L1383-I1511 HydrophobicContact CD2-CG1 3.81Å; I1405-I1511 HydrophobicContact CD1-CD1 3.73Å; Q1507-I1511 HydrophobicContact CB-CD1 4.23Å; Q1507-I1511 WeakPolarHBondContact O-CB 3.21Å; Q1507-I1511 VanDerWaalsContact O-CD1 3.24Å; Q1507-I1511 WeakPolarHBondContact O-CD1 3.49Å; Q1507-I1511 WeakPolarHBondContact O-CG1 3.3Å; Q1507-I1511 PolarHBondContact O-N 3.06Å; I1511-T1515 VanDerWaalsContact O-CB 3.31Å; I1511-T1515 WeakPolarHBondContact O-CB 3.44Å; I1511-T1515 PolarHBondContact O-N 3.06Å; I1511-T1515 PolarHBondContact O-OG1 3.23Å
1512H91.2Very high91.9Very high17 Ų1746 Ų468%0.07922%0.223CC..Hα-helixtrans-69.2-42.2179.4-17568000112D1230 K1508 D1509 V1510 T1515 R1516D1230-H1512 WeakPolarHBondContact OD1-CA 3.3Å; D1230-H1512 IonicContact OD1-ND1 3.19Å; D1230-H1512 PolarHBondContact OD1-ND1 2.7Å; D1230-H1512 IonicContact OD2-CE1 2.68Å; D1230-H1512 IonicContact OD2-CG 3.63Å; D1230-H1512 IonicContact OD2-ND1 3.34Å; D1230-H1512 PolarHBondContact OD2-ND1 2.79Å; K1508-H1512 WeakPolarHBondContact O-CB 3.4Å; K1508-H1512 PolarHBondContact O-N 3.34Å; D1509-H1512 PolarHBondContact O-N 2.71Å; V1510-H1512 VanDerWaalsContact C-N 3.31Å; V1510-H1512 PolarHBondContact O-N 2.78Å; H1512-T1515 PolarHBondContact O-N 2.76Å; H1512-R1516 PolarHBondContact NE2-NH2 3.37Å; H1512-R1516 VanDerWaalsContact O-CB 3.29Å; H1512-R1516 WeakPolarHBondContact O-CB 3.35Å; H1512-R1516 PolarHBondContact O-N 3.09Å
1513E89.8Confident91.7Very high132 Ų13243.2 Ų43.262%0.61720%0.203SC*.Hα-helixtrans-61.2-48.8173-172.7175.5-179.900111.6D1509 V1510 T1515 R1516 E1517D1509-E1513 PolarHBondContact O-N 3.48Å; V1510-E1513 PolarHBondContact O-N 3.05Å; E1513-T1515 PolarHBondContact O-N 3.12Å; E1513-R1516 PolarHBondContact O-N 2.85Å; E1513-E1517 PolarHBondContact O-N 2.9Å
1514M93.8Very high91.6Very high14 Ų1443.1 Ų43.17%0.06920%0.204CC..Hα-helixtrans-59.3-43.6176-177.2-162.275.500112.4Q1379 I1380 L1383 V1510 Y1518Q1379-M1514 HydrophobicContact CB-CG 3.78Å; Q1379-M1514 HydrophobicContact CB-SD 3.81Å; I1380-M1514 HydrophobicContact CD1-CE 3.77Å; I1380-M1514 HydrophobicContact CG1-CE 4.46Å; L1383-M1514 HydrophobicContact CB-SD 4.11Å; L1383-M1514 HydrophobicContact CD2-CE 3.78Å; L1383-M1514 HydrophobicContact CD2-SD 3.89Å; V1510-M1514 VanDerWaalsContact O-CB 3.31Å; V1510-M1514 WeakPolarHBondContact O-CB 3.46Å; V1510-M1514 PolarHBondContact O-N 3.2Å; M1514-Y1518 HydrophobicContact CG-CD2 4.13Å; M1514-Y1518 WeakPolarHBondContact O-CB 3.16Å; M1514-Y1518 WeakPolarHBondContact O-CD2 3.08Å; M1514-Y1518 PolarHBondContact O-N 3.36Å; M1514-Y1518 VanDerWaalsContact O-N 3.11Å
1515T92.1Very high91.2Very high0 Ų049.1 Ų49.10%023%0.226CC..Hα-helixtrans-68.1-40.9180-55.10000110.7L1229 D1230 S1233 I1511 H1512 E1513 L1519 M1544L1229-T1515 HydrophobicContact CB-CG2 3.52Å; D1230-T1515 WeakPolarHBondContact OD1-CB 3.45Å; S1233-T1515 PolarHBondContact OG-OG1 2.98Å; I1511-T1515 VanDerWaalsContact O-CB 3.31Å; I1511-T1515 WeakPolarHBondContact O-CB 3.44Å; I1511-T1515 PolarHBondContact O-N 3.06Å; I1511-T1515 PolarHBondContact O-OG1 3.23Å; H1512-T1515 PolarHBondContact O-N 2.76Å; E1513-T1515 PolarHBondContact O-N 3.12Å; T1515-L1519 HydrophobicContact CG2-CB 4.31Å; T1515-L1519 HydrophobicContact CG2-CD2 4.05Å; T1515-L1519 WeakPolarHBondContact O-CB 3.47Å; T1515-L1519 PolarHBondContact O-N 3.36Å; T1515-L1519 VanDerWaalsContact O-N 3.09Å; T1515-M1544 HydrophobicContact CG2-CE 4.05Å
1516R88.4Confident90.8Very high41 Ų4147.3 Ų47.316%0.15522%0.219CC..Hα-helixtrans-59.6-55.4176.3-171.4-174.7-59.8-1337.7111.9H1512 E1513 I1520 S1547 D1548H1512-R1516 PolarHBondContact NE2-NH2 3.37Å; H1512-R1516 VanDerWaalsContact O-CB 3.29Å; H1512-R1516 WeakPolarHBondContact O-CB 3.35Å; H1512-R1516 PolarHBondContact O-N 3.09Å; E1513-R1516 PolarHBondContact O-N 2.85Å; R1516-I1520 HydrophobicContact CB-CD1 4.2Å; R1516-I1520 HydrophobicContact CG-CD1 3.76Å; R1516-I1520 WeakPolarHBondContact O-CB 3.41Å; R1516-S1547 VanDerWaalsContact NH1-C 3.28Å; R1516-S1547 PolarHBondContact NH1-O 2.98Å; R1516-S1547 PolarHBondContact NH2-O 2.8Å; R1516-S1547 PolarHBondContact NH2-OG 3.39Å; R1516-D1548 IonicContact CZ-OD1 2.91Å; R1516-D1548 IonicContact CZ-OD2 2.71Å; R1516-D1548 IonicContact NH1-OD1 3.91Å; R1516-D1548 PolarHBondContact NH1-OD1 3.33Å; R1516-D1548 IonicContact NH1-OD2 2.78Å; R1516-D1548 PolarHBondContact NH1-OD2 3.17Å
1517E90.2Very high90.6Very high126 Ų12644.8 Ų44.859%0.58921%0.205SC*.Hα-helixtrans-64.7-47.8-175.7-76.2-63.8119.700112.8E1513E1513-E1517 PolarHBondContact O-N 2.9Å
1518Y93.6Very high90.3Very high87 Ų8749.4 Ų49.434%0.34123%0.226SC..Hα-helixtrans-98.3-15.6-166.4-62.9-75.4000114.9N1375 Q1379 M1514 P1522N1375-Y1518 HydrophobicContact CB-CD1 4.11Å; Q1379-Y1518 HydrophobicContact CB-CD2 4.33Å; Q1379-Y1518 HydrophobicContact CG-CD1 4.23Å; Q1379-Y1518 HydrophobicContact CG-CD2 3.7Å; Q1379-Y1518 HydrophobicContact CG-CE1 4.19Å; Q1379-Y1518 HydrophobicContact CG-CE2 3.65Å; Q1379-Y1518 HydrophobicContact CG-CG 3.99Å; Q1379-Y1518 PolarHBondContact NE2-OH 3.04Å; M1514-Y1518 HydrophobicContact CG-CD2 4.13Å; M1514-Y1518 WeakPolarHBondContact O-CB 3.16Å; M1514-Y1518 WeakPolarHBondContact O-CD2 3.08Å; M1514-Y1518 PolarHBondContact O-N 3.36Å; M1514-Y1518 VanDerWaalsContact O-N 3.11Å; Y1518-P1522 WeakPolarHBondContact O-CG 3.39Å
1519L91.1Very high90Very high0 Ų055.1 Ų55.10%026%0.255CS..Hα-helixtrans-113.6-33.1-174.9-163.161.2000114.6F1191 L1229 F1373 W1376 T1515 Q1521 P1522 L1523F1191-L1519 HydrophobicContact CZ-CD1 4.4Å; L1229-L1519 HydrophobicContact CB-CD2 4.13Å; L1229-L1519 HydrophobicContact CD1-CD2 4.17Å; L1229-L1519 HydrophobicContact CD2-CD2 3.94Å; L1229-L1519 HydrophobicContact CG-CD2 4.31Å; F1373-L1519 HydrophobicContact CD1-CD1 3.49Å; F1373-L1519 VanDerWaalsContact CD1-CD1 3.49Å; F1373-L1519 HydrophobicContact CE1-CD1 3.59Å; W1376-L1519 HydrophobicContact CB-CD1 4.47Å; W1376-L1519 HydrophobicContact CD2-CD1 3.86Å; W1376-L1519 HydrophobicContact CE3-CD1 4.26Å; W1376-L1519 HydrophobicContact CG-CB 4.4Å; W1376-L1519 HydrophobicContact CG-CD1 3.97Å; W1376-L1519 HydrophobicContact CZ2-CD2 4.14Å; T1515-L1519 HydrophobicContact CG2-CB 4.31Å; T1515-L1519 HydrophobicContact CG2-CD2 4.05Å; T1515-L1519 WeakPolarHBondContact O-CB 3.47Å; T1515-L1519 PolarHBondContact O-N 3.36Å; T1515-L1519 VanDerWaalsContact O-N 3.09Å; L1519-Q1521 PolarHBondContact O-N 3.08Å; L1519-P1522 WeakPolarHBondContact O-CD 3.38Å; L1519-L1523 HydrophobicContact CD1-CD1 4.48Å; L1519-L1523 HydrophobicContact CD1-CG 4.47Å; L1519-L1523 HydrophobicContact CD2-CD1 4.36Å; L1519-L1523 HydrophobicContact CG-CD1 3.86Å; L1519-L1523 HydrophobicContact CG-CG 4.27Å; L1519-L1523 WeakPolarHBondContact O-CG 2.99Å; L1519-L1523 PolarHBondContact O-N 3.36Å; L1519-L1523 VanDerWaalsContact O-N 3.14Å
1520I87.8Confident89.8Confident13 Ų1355.1 Ų55.17%0.06726%0.255CS..Hα-helixtrans-65.1-43.3-177.9-62.4-179.5000111.8R1516 L1523 Q1524 I1541 M1544 K1545R1516-I1520 HydrophobicContact CB-CD1 4.2Å; R1516-I1520 HydrophobicContact CG-CD1 3.76Å; R1516-I1520 WeakPolarHBondContact O-CB 3.41Å; I1520-L1523 PolarHBondContact O-N 3.48Å; I1520-Q1524 WeakPolarHBondContact O-CB 3.44Å; I1520-Q1524 PolarHBondContact O-N 3.06Å; I1520-I1541 HydrophobicContact CG2-CG2 4.25Å; I1520-M1544 HydrophobicContact CD1-CB 3.65Å; I1520-M1544 HydrophobicContact CD1-CE 4.41Å; I1520-M1544 HydrophobicContact CD1-SD 4.46Å; I1520-K1545 HydrophobicContact CG2-CG 4.39Å
1521Q87.6Confident89.6Confident112 Ų11255.2 Ų55.252%0.52326%0.256SS..Hα-helixtrans-63.2-48.1-179.8-96.2-163.95700113.3L1519 Q1524 R1525L1519-Q1521 PolarHBondContact O-N 3.08Å; Q1521-Q1524 PolarHBondContact O-N 3.38Å; Q1521-R1525 WeakPolarHBondContact O-CG 3.34Å; Q1521-R1525 PolarHBondContact O-N 3.29Å; Q1521-R1525 VanDerWaalsContact OE1-NH2 3.11Å
1522P89.5Confident89.3Confident21 Ų2161.7 Ų61.714%0.13629%0.291CS..Hα-helixtrans-54.5-51.8170.6-30.937.8000113F1373 Y1518 L1519 Q1524 R1525 L1526F1373-P1522 HydrophobicContact CD1-CB 3.83Å; F1373-P1522 HydrophobicContact CD1-CG 4.45Å; F1373-P1522 HydrophobicContact CE1-CB 3.41Å; F1373-P1522 VanDerWaalsContact CE1-CB 3.41Å; F1373-P1522 HydrophobicContact CE1-CG 4.42Å; F1373-P1522 HydrophobicContact CZ-CB 3.84Å; Y1518-P1522 WeakPolarHBondContact O-CG 3.39Å; L1519-P1522 WeakPolarHBondContact O-CD 3.38Å; P1522-Q1524 VanDerWaalsContact C-N 3.31Å; P1522-Q1524 PolarHBondContact O-N 3.48Å; P1522-R1525 WeakPolarHBondContact O-CB 3.42Å; P1522-R1525 PolarHBondContact O-N 3.5Å; P1522-R1525 VanDerWaalsContact O-N 3.09Å; P1522-L1526 WeakPolarHBondContact O-CG 3.27Å; P1522-L1526 PolarHBondContact O-N 2.79Å
1523L90.9Very high89Confident0 Ų064.8 Ų64.80%031%0.311CS..Hα-helixtrans-61.1-37.1-179.2-68.7176.3000113F1191 L1195 L1229 F1373 L1519 I1520 L1526 Y1527 L1537 I1541F1191-L1523 HydrophobicContact CE1-CD2 4.21Å; L1195-L1523 HydrophobicContact CD2-CD1 4.5Å; L1195-L1523 HydrophobicContact CD2-CD2 3.69Å; L1229-L1523 HydrophobicContact CD1-CD1 3.45Å; L1229-L1523 VanDerWaalsContact CD1-CD1 3.45Å; L1229-L1523 HydrophobicContact CD2-CD1 4.23Å; F1373-L1523 HydrophobicContact CE1-CD2 4.02Å; F1373-L1523 HydrophobicContact CE1-CG 4.25Å; F1373-L1523 HydrophobicContact CZ-CD2 4.03Å; L1519-L1523 HydrophobicContact CD1-CD1 4.48Å; L1519-L1523 HydrophobicContact CD1-CG 4.47Å; L1519-L1523 HydrophobicContact CD2-CD1 4.36Å; L1519-L1523 HydrophobicContact CG-CD1 3.86Å; L1519-L1523 HydrophobicContact CG-CG 4.27Å; L1519-L1523 WeakPolarHBondContact O-CG 2.99Å; L1519-L1523 PolarHBondContact O-N 3.36Å; L1519-L1523 VanDerWaalsContact O-N 3.14Å; I1520-L1523 PolarHBondContact O-N 3.48Å; L1523-L1526 PolarHBondContact O-N 3.43Å; L1523-Y1527 PolarHBondContact O-N 2.95Å; L1523-L1537 HydrophobicContact CB-CD1 4.34Å; L1523-L1537 HydrophobicContact CB-CD2 4.38Å; L1523-L1537 HydrophobicContact CD1-CD2 4.07Å; L1523-L1537 HydrophobicContact CD2-CD1 3.96Å; L1523-L1537 HydrophobicContact CD2-CD2 3.96Å; L1523-L1537 HydrophobicContact CG-CD2 4.37Å; L1523-I1541 HydrophobicContact CB-CD1 4.15Å; L1523-I1541 HydrophobicContact CB-CG1 4.37Å
1524Q90.1Very high88.9Confident53 Ų5359.7 Ų59.725%0.24829%0.286CS..Hα-helixtrans-60.6-43.3173.7175.3173.6-7.800112.2I1520 Q1521 P1522 L1526 Y1527 E1528 I1541I1520-Q1524 WeakPolarHBondContact O-CB 3.44Å; I1520-Q1524 PolarHBondContact O-N 3.06Å; Q1521-Q1524 PolarHBondContact O-N 3.38Å; P1522-Q1524 VanDerWaalsContact C-N 3.31Å; P1522-Q1524 PolarHBondContact O-N 3.48Å; Q1524-L1526 PolarHBondContact O-N 3.19Å; Q1524-Y1527 PolarHBondContact O-N 3.38Å; Q1524-E1528 HydrophobicContact CG-CG 4.32Å; Q1524-E1528 VanDerWaalsContact CG-OE1 3.26Å; Q1524-E1528 WeakPolarHBondContact CG-OE1 3.39Å; Q1524-E1528 PolarHBondContact NE2-OE1 3.07Å; Q1524-E1528 WeakPolarHBondContact O-CB 3.48Å; Q1524-E1528 VanDerWaalsContact O-CG 3.32Å; Q1524-E1528 WeakPolarHBondContact O-CG 3.44Å; Q1524-E1528 PolarHBondContact O-N 3.31Å; Q1524-I1541 HydrophobicContact CB-CD1 4.48Å; Q1524-I1541 HydrophobicContact CB-CG2 4.47Å
1525R87.2Confident88.6Confident125 Ų12564.1 Ų64.147%0.47231%0.309SS..Hα-helixtrans-61.9-33.4177.5-64.8171.9-157.91786.1111.6Q1521 P1522 E1528 M1529Q1521-R1525 WeakPolarHBondContact O-CG 3.34Å; Q1521-R1525 PolarHBondContact O-N 3.29Å; Q1521-R1525 VanDerWaalsContact OE1-NH2 3.11Å; P1522-R1525 WeakPolarHBondContact O-CB 3.42Å; P1522-R1525 PolarHBondContact O-N 3.5Å; P1522-R1525 VanDerWaalsContact O-N 3.09Å; R1525-E1528 PolarHBondContact O-N 3.21Å; R1525-M1529 VanDerWaalsContact O-CG 3.28Å; R1525-M1529 WeakPolarHBondContact O-CG 3.45Å; R1525-M1529 PolarHBondContact O-N 3.35Å
1526L86.2Confident88.3Confident9 Ų966.7 Ų66.75%0.04732%0.319CS..Hα-helixtrans-73.1-43.2178.6-53.7-167.8000111.9T1188 C1192 F1373 P1522 L1523 Q1524 E1528 M1529 D1530 Y1534T1188-L1526 HydrophobicContact CG2-CD1 3.6Å; T1188-L1526 HydrophobicContact CG2-CD2 3.33Å; T1188-L1526 HydrophobicContact CG2-CG 4.1Å; C1192-L1526 WeakPolarHBondContact SG-CD1 3.2Å; F1373-L1526 HydrophobicContact CE2-CD1 3.93Å; F1373-L1526 HydrophobicContact CZ-CD1 3.72Å; P1522-L1526 WeakPolarHBondContact O-CG 3.27Å; P1522-L1526 PolarHBondContact O-N 2.79Å; L1523-L1526 PolarHBondContact O-N 3.43Å; Q1524-L1526 PolarHBondContact O-N 3.19Å; L1526-E1528 PolarHBondContact O-N 2.95Å; L1526-M1529 HydrophobicContact CD2-SD 4.08Å; L1526-M1529 PolarHBondContact O-N 3.47Å; L1526-M1529 VanDerWaalsContact O-N 3.11Å; L1526-D1530 PolarHBondContact O-N 3.15Å; L1526-D1530 VanDerWaalsContact O-N 3.12Å; L1526-Y1534 HydrophobicContact CB-CD2 4.47Å; L1526-Y1534 WeakPolarHBondContact O-CD2 3.26Å
1527Y89.5Confident88.3Confident60 Ų6064.7 Ų64.724%0.23531%0.311CS..Hα-helixtrans-60.4-34.5170.1175.2-101.9000112.2L1523 Q1524 D1530 P1531 K1538L1523-Y1527 PolarHBondContact O-N 2.95Å; Q1524-Y1527 PolarHBondContact O-N 3.38Å; Y1527-D1530 CarbonylContact O-C 3.48Å; Y1527-P1531 HydrophobicContact CE2-CB 3.98Å; Y1527-P1531 VanDerWaalsContact O-CA 3.29Å; Y1527-P1531 WeakPolarHBondContact O-CA 3.27Å; Y1527-P1531 WeakPolarHBondContact O-CD 3.27Å; Y1527-P1531 VanDerWaalsContact O-CG 3.26Å; Y1527-P1531 WeakPolarHBondContact O-CG 3.07Å; Y1527-P1531 VanDerWaalsContact O-N 3.13Å; Y1527-K1538 HydrophobicContact CD2-CB 4.26Å; Y1527-K1538 HydrophobicContact CE1-CG 4.46Å; Y1527-K1538 HydrophobicContact CE2-CB 3.73Å; Y1527-K1538 HydrophobicContact CE2-CG 4.27Å
1528E88.4Confident88.2Confident118 Ų11862.1 Ų62.155%0.55130%0.298SS*.Hα-helixtrans-75.1-20.9174.6-72.7169.8-178.900113.7Q1524 R1525 L1526Q1524-E1528 HydrophobicContact CG-CG 4.32Å; Q1524-E1528 VanDerWaalsContact CG-OE1 3.26Å; Q1524-E1528 WeakPolarHBondContact CG-OE1 3.39Å; Q1524-E1528 PolarHBondContact NE2-OE1 3.07Å; Q1524-E1528 WeakPolarHBondContact O-CB 3.48Å; Q1524-E1528 VanDerWaalsContact O-CG 3.32Å; Q1524-E1528 WeakPolarHBondContact O-CG 3.44Å; Q1524-E1528 PolarHBondContact O-N 3.31Å; R1525-E1528 PolarHBondContact O-N 3.21Å; L1526-E1528 PolarHBondContact O-N 2.95Å
1529M85Confident87.6Confident122 Ų12261.7 Ų61.760%0.60130%0.302SS*.Hα-helixtrans-79.3-46.4174.4-78.6172.864.700112.6R1525 L1526R1525-M1529 VanDerWaalsContact O-CG 3.28Å; R1525-M1529 WeakPolarHBondContact O-CG 3.45Å; R1525-M1529 PolarHBondContact O-N 3.35Å; L1526-M1529 HydrophobicContact CD2-SD 4.08Å; L1526-M1529 PolarHBondContact O-N 3.47Å; L1526-M1529 VanDerWaalsContact O-N 3.11Å
1530D86.5Confident87.3Confident53 Ų5361.8 Ų61.828%0.28330%0.302SS..  trans-140.592.9170.7-173.3-8.6000111.5L1526 Y1527 N1532 T1533 Y1534L1526-D1530 PolarHBondContact O-N 3.15Å; L1526-D1530 VanDerWaalsContact O-N 3.12Å; Y1527-D1530 CarbonylContact O-C 3.48Å; D1530-N1532 PolarHBondContact O-N 2.91Å; D1530-N1532 WeakPolarHBondContact OD1-CB 2.89Å; D1530-N1532 PolarHBondContact OD1-N 3.14Å; D1530-T1533 PolarHBondContact OD1-N 3.37Å; D1530-T1533 VanDerWaalsContact OD1-N 3.12Å; D1530-T1533 WeakPolarHBondContact OD2-CB 3.4Å; D1530-T1533 PolarHBondContact OD2-OG1 2.97Å; D1530-Y1534 HydrophobicContact CB-CD2 4.16Å; D1530-Y1534 HydrophobicContact CB-CE2 4.26Å; D1530-Y1534 WeakPolarHBondContact O-CD2 3.38Å; D1530-Y1534 PolarHBondContact O-N 3.12Å; D1530-Y1534 VanDerWaalsContact O-N 3.13Å
1531P88.5Confident87.3Confident56 Ų5661.6 Ų61.636%0.36430%0.301SS..THydrogen-bonded Turntrans-63.1-19.9177.9-21.930.9000114.6Y1527 I1535Y1527-P1531 HydrophobicContact CE2-CB 3.98Å; Y1527-P1531 VanDerWaalsContact O-CA 3.29Å; Y1527-P1531 WeakPolarHBondContact O-CA 3.27Å; Y1527-P1531 WeakPolarHBondContact O-CD 3.27Å; Y1527-P1531 VanDerWaalsContact O-CG 3.26Å; Y1527-P1531 WeakPolarHBondContact O-CG 3.07Å; Y1527-P1531 VanDerWaalsContact O-N 3.13Å; P1531-I1535 WeakPolarHBondContact O-CA 3.08Å; P1531-I1535 WeakPolarHBondContact O-CB 3.39Å; P1531-I1535 PolarHBondContact O-N 3.19Å
1532N88.1Confident87.1Confident137 Ų13760.9 Ų60.973%0.73330%0.298SS*.THydrogen-bonded Turntrans-84.5-49-177.7-58-67.9000110.9D1530 Y1534D1530-N1532 PolarHBondContact O-N 2.91Å; D1530-N1532 WeakPolarHBondContact OD1-CB 2.89Å; D1530-N1532 PolarHBondContact OD1-N 3.14Å; N1532-Y1534 VanDerWaalsContact C-N 3.32Å
1533T85.8Confident86.6Confident82 Ų8261.2 Ų61.250%0.50330%0.298SS..THydrogen-bonded Turntrans-65.3-38.3177.6-62.80000111.1D1530D1530-T1533 PolarHBondContact OD1-N 3.37Å; D1530-T1533 VanDerWaalsContact OD1-N 3.12Å; D1530-T1533 WeakPolarHBondContact OD2-CB 3.4Å; D1530-T1533 PolarHBondContact OD2-OG1 2.97Å
1534Y86.4Confident85.9Confident25 Ų2561.3 Ų61.310%0.09830%0.299CS..THydrogen-bonded Turntrans-104.424-175.1-55.7-57000114.2C1192 L1526 D1530 N1532 W1536 L1537C1192-Y1534 HydrophobicContact CB-CD1 4.22Å; C1192-Y1534 HydrophobicContact CB-CE1 3.49Å; C1192-Y1534 VanDerWaalsContact CB-CE1 3.49Å; L1526-Y1534 HydrophobicContact CB-CD2 4.47Å; L1526-Y1534 WeakPolarHBondContact O-CD2 3.26Å; D1530-Y1534 HydrophobicContact CB-CD2 4.16Å; D1530-Y1534 HydrophobicContact CB-CE2 4.26Å; D1530-Y1534 WeakPolarHBondContact O-CD2 3.38Å; D1530-Y1534 PolarHBondContact O-N 3.12Å; D1530-Y1534 VanDerWaalsContact O-N 3.13Å; N1532-Y1534 VanDerWaalsContact C-N 3.32Å; Y1534-W1536 PolarHBondContact O-N 2.94Å; Y1534-L1537 WeakPolarHBondContact O-CB 3.45Å; Y1534-L1537 PolarHBondContact O-N 3.09Å
1535I88.7Confident85.4Confident106 Ų10662.9 Ų62.954%0.54431%0.305SS..Hα-helixtrans-55.8-30.2-174.9-163.3166.8000113.7P1531 L1537 K1538P1531-I1535 WeakPolarHBondContact O-CA 3.08Å; P1531-I1535 WeakPolarHBondContact O-CB 3.39Å; P1531-I1535 PolarHBondContact O-N 3.19Å; I1535-L1537 VanDerWaalsContact C-N 3.27Å; I1535-L1537 PolarHBondContact O-N 2.86Å; I1535-K1538 WeakPolarHBondContact O-CB 3.45Å; I1535-K1538 PolarHBondContact O-N 3Å; I1535-K1538 VanDerWaalsContact O-N 3.14Å
1536W85.8Confident84.6Confident54 Ų5460 Ų6021%0.20530%0.298CS..Hα-helixtrans-66.3-23.3177.164.9-104.5000114L1195 E1196 M1199 Y1534 K1538 I1540L1195-W1536 HydrophobicContact CB-CH2 4.4Å; L1195-W1536 HydrophobicContact CD2-CH2 3.87Å; L1195-W1536 HydrophobicContact CG-CH2 3.92Å; E1196-W1536 HydrophobicContact CB-CH2 4.39Å; E1196-W1536 HydrophobicContact CB-CZ2 3.71Å; E1196-W1536 HydrophobicContact CG-CZ2 4.08Å; E1196-W1536 PolarHBondContact OE2-NE1 2.94Å; M1199-W1536 HydrophobicContact CE-CE3 4.46Å; M1199-W1536 HydrophobicContact SD-CD2 4.33Å; M1199-W1536 HydrophobicContact SD-CE3 3.47Å; M1199-W1536 HydrophobicContact SD-CH2 4.09Å; M1199-W1536 HydrophobicContact SD-CZ3 3.32Å; M1199-W1536 WeakPolarHBondContact SD-CZ3 3.33Å; Y1534-W1536 PolarHBondContact O-N 2.94Å; W1536-K1538 VanDerWaalsContact C-N 3.29Å; W1536-K1538 PolarHBondContact O-N 2.75Å; W1536-I1540 HydrophobicContact CE3-CD1 3.85Å; W1536-I1540 HydrophobicContact CZ3-CD1 3.9Å
1537L88.3Confident83.4Confident0 Ų060 Ų600%030%0.299CS..Hα-helixtrans-70.8-25.4173.8-80.8177.2000112.3L1523 Y1534 I1535 D1539 I1540 I1541L1523-L1537 HydrophobicContact CB-CD1 4.34Å; L1523-L1537 HydrophobicContact CB-CD2 4.38Å; L1523-L1537 HydrophobicContact CD1-CD2 4.07Å; L1523-L1537 HydrophobicContact CD2-CD1 3.96Å; L1523-L1537 HydrophobicContact CD2-CD2 3.96Å; L1523-L1537 HydrophobicContact CG-CD2 4.37Å; Y1534-L1537 WeakPolarHBondContact O-CB 3.45Å; Y1534-L1537 PolarHBondContact O-N 3.09Å; I1535-L1537 VanDerWaalsContact C-N 3.27Å; I1535-L1537 PolarHBondContact O-N 2.86Å; L1537-D1539 PolarHBondContact O-N 3.49Å; L1537-I1540 PolarHBondContact O-N 3.18Å; L1537-I1541 HydrophobicContact CB-CD1 3.84Å; L1537-I1541 WeakPolarHBondContact O-CB 3.48Å; L1537-I1541 WeakPolarHBondContact O-CD1 3.46Å; L1537-I1541 VanDerWaalsContact O-CG1 3.24Å; L1537-I1541 WeakPolarHBondContact O-CG1 3.36Å; L1537-I1541 PolarHBondContact O-N 3.41Å
1538K87.2Confident81.4Confident71 Ų7164.6 Ų64.631%0.30933%0.328SS..Hα-helixtrans-52.7-56-174.5-177.6-166.8161.8-68.90111.4Y1527 I1535 W1536 I1540 I1541 E1542Y1527-K1538 HydrophobicContact CD2-CB 4.26Å; Y1527-K1538 HydrophobicContact CE1-CG 4.46Å; Y1527-K1538 HydrophobicContact CE2-CB 3.73Å; Y1527-K1538 HydrophobicContact CE2-CG 4.27Å; I1535-K1538 WeakPolarHBondContact O-CB 3.45Å; I1535-K1538 PolarHBondContact O-N 3Å; I1535-K1538 VanDerWaalsContact O-N 3.14Å; W1536-K1538 VanDerWaalsContact C-N 3.29Å; W1536-K1538 PolarHBondContact O-N 2.75Å; K1538-I1540 VanDerWaalsContact C-N 3.33Å; K1538-I1540 PolarHBondContact O-N 3.33Å; K1538-I1541 PolarHBondContact O-N 2.7Å; K1538-E1542 IonicContact NZ-OE2 3.48Å; K1538-E1542 PolarHBondContact NZ-OE2 2.61Å; K1538-E1542 VanDerWaalsContact O-CB 3.3Å; K1538-E1542 WeakPolarHBondContact O-CB 3.35Å; K1538-E1542 PolarHBondContact O-N 2.88Å
1539D81.5Confident81.1Confident78 Ų7862 Ų6242%0.41732%0.317SS..Hα-helixtrans-70-32.8-172.8-64.4-14000111.4L1537 I1543L1537-D1539 PolarHBondContact O-N 3.49Å; D1539-I1543 WeakPolarHBondContact O-CB 3.36Å; D1539-I1543 WeakPolarHBondContact O-CD1 3.42Å; D1539-I1543 WeakPolarHBondContact O-CG1 3.27Å; D1539-I1543 PolarHBondContact O-N 3.43Å
1540I84.8Confident80.9Confident2 Ų258.8 Ų58.81%0.0130%0.302CS..Hα-helixtrans-64.4-49.2173.1-57.1173.8000110.3M1199 L1229 W1536 L1537 K1538 E1542 M1544M1199-I1540 HydrophobicContact CE-CD1 3.71Å; M1199-I1540 HydrophobicContact SD-CD1 4.01Å; L1229-I1540 HydrophobicContact CD1-CG2 3.8Å; L1229-I1540 HydrophobicContact CG-CG2 4.22Å; W1536-I1540 HydrophobicContact CE3-CD1 3.85Å; W1536-I1540 HydrophobicContact CZ3-CD1 3.9Å; L1537-I1540 PolarHBondContact O-N 3.18Å; K1538-I1540 VanDerWaalsContact C-N 3.33Å; K1538-I1540 PolarHBondContact O-N 3.33Å; I1540-E1542 PolarHBondContact O-N 2.75Å; I1540-M1544 HydrophobicContact CG2-CG 4.48Å; I1540-M1544 HydrophobicContact CG2-SD 4.18Å; I1540-M1544 WeakPolarHBondContact O-CB 3.34Å; I1540-M1544 WeakPolarHBondContact O-CG 3.1Å; I1540-M1544 PolarHBondContact O-N 3.37Å
1541I86.9Confident80.5Confident10 Ų1059.1 Ų59.15%0.05130%0.303CS..Hα-helixtrans-62.9-42.7179.5-69.3162.9000110.7I1520 L1523 Q1524 L1537 K1538 K1545I1520-I1541 HydrophobicContact CG2-CG2 4.25Å; L1523-I1541 HydrophobicContact CB-CD1 4.15Å; L1523-I1541 HydrophobicContact CB-CG1 4.37Å; Q1524-I1541 HydrophobicContact CB-CD1 4.48Å; Q1524-I1541 HydrophobicContact CB-CG2 4.47Å; L1537-I1541 HydrophobicContact CB-CD1 3.84Å; L1537-I1541 WeakPolarHBondContact O-CB 3.48Å; L1537-I1541 WeakPolarHBondContact O-CD1 3.46Å; L1537-I1541 VanDerWaalsContact O-CG1 3.24Å; L1537-I1541 WeakPolarHBondContact O-CG1 3.36Å; L1537-I1541 PolarHBondContact O-N 3.41Å; K1538-I1541 PolarHBondContact O-N 2.7Å; I1541-K1545 HydrophobicContact CG2-CD 4.01Å; I1541-K1545 WeakPolarHBondContact O-CB 3.28Å; I1541-K1545 WeakPolarHBondContact O-CD 3.2Å; I1541-K1545 WeakPolarHBondContact O-CG 3.48Å; I1541-K1545 PolarHBondContact O-N 3.39Å; I1541-K1545 VanDerWaalsContact O-N 3.11Å
1542E83.6Confident80.1Confident96 Ų9659.3 Ų59.345%0.44930%0.299SS..Hα-helixtrans-68.5-47.1-180-167168.4176.100111.2K1538 I1540 K1545 L1546K1538-E1542 IonicContact NZ-OE2 3.48Å; K1538-E1542 PolarHBondContact NZ-OE2 2.61Å; K1538-E1542 VanDerWaalsContact O-CB 3.3Å; K1538-E1542 WeakPolarHBondContact O-CB 3.35Å; K1538-E1542 PolarHBondContact O-N 2.88Å; I1540-E1542 PolarHBondContact O-N 2.75Å; E1542-K1545 PolarHBondContact O-N 3.14Å; E1542-L1546 HydrophobicContact CG-CD1 4.25Å; E1542-L1546 VanDerWaalsContact O-CG 3.27Å; E1542-L1546 WeakPolarHBondContact O-CG 3.48Å; E1542-L1546 PolarHBondContact O-N 3.27Å
1543I78.9Confident79.6Confident29 Ų2954.4 Ų54.415%0.14927%0.272CS..Hα-helixtrans-64.9-41.5178.3-73.2168.6000112.1N1225 L1226 T1416 D1539 L1546 S1547N1225-I1543 HydrophobicContact CB-CD1 3.77Å; N1225-I1543 HydrophobicContact CB-CG2 4.48Å; L1226-I1543 HydrophobicContact CB-CG2 4.38Å; L1226-I1543 HydrophobicContact CD2-CG2 3.45Å; L1226-I1543 VanDerWaalsContact CD2-CG2 3.45Å; L1226-I1543 HydrophobicContact CG-CG2 3.51Å; T1416-I1543 HydrophobicContact CG2-CG2 4.36Å; D1539-I1543 WeakPolarHBondContact O-CB 3.36Å; D1539-I1543 WeakPolarHBondContact O-CD1 3.42Å; D1539-I1543 WeakPolarHBondContact O-CG1 3.27Å; D1539-I1543 PolarHBondContact O-N 3.43Å; I1543-L1546 PolarHBondContact O-N 3.22Å; I1543-S1547 PolarHBondContact O-N 2.85Å
1544M76.6Confident79.2Confident1 Ų152.6 Ų52.61%0.00526%0.257CS..Hα-helixtrans-68.8-35176.6-69.5-170.179.100112.4L1229 T1515 I1520 I1540 L1546 S1547L1229-M1544 HydrophobicContact CB-SD 4.16Å; L1229-M1544 HydrophobicContact CD1-SD 3.8Å; L1229-M1544 HydrophobicContact CG-SD 4.34Å; T1515-M1544 HydrophobicContact CG2-CE 4.05Å; I1520-M1544 HydrophobicContact CD1-CB 3.65Å; I1520-M1544 HydrophobicContact CD1-CE 4.41Å; I1520-M1544 HydrophobicContact CD1-SD 4.46Å; I1540-M1544 HydrophobicContact CG2-CG 4.48Å; I1540-M1544 HydrophobicContact CG2-SD 4.18Å; I1540-M1544 WeakPolarHBondContact O-CB 3.34Å; I1540-M1544 WeakPolarHBondContact O-CG 3.1Å; I1540-M1544 PolarHBondContact O-N 3.37Å; M1544-L1546 VanDerWaalsContact C-N 3.32Å; M1544-L1546 PolarHBondContact O-N 2.86Å; M1544-S1547 PolarHBondContact O-N 3.3Å; M1544-S1547 PolarHBondContact O-OG 2.77Å
1545K79.5Confident78.6Confident87 Ų8754.6 Ų54.638%0.37827%0.268SS..Hα-helixtrans-65.7-31.7171.3-75.5168.3178.5173.70113.3I1520 I1541 E1542 S1547I1520-K1545 HydrophobicContact CG2-CG 4.39Å; I1541-K1545 HydrophobicContact CG2-CD 4.01Å; I1541-K1545 WeakPolarHBondContact O-CB 3.28Å; I1541-K1545 WeakPolarHBondContact O-CD 3.2Å; I1541-K1545 WeakPolarHBondContact O-CG 3.48Å; I1541-K1545 PolarHBondContact O-N 3.39Å; I1541-K1545 VanDerWaalsContact O-N 3.11Å; E1542-K1545 PolarHBondContact O-N 3.14Å; K1545-S1547 PolarHBondContact O-N 2.91Å
1546L69.5Low77.9Confident64 Ų6450.6 Ų50.634%0.33525%0.247SC..THydrogen-bonded Turntrans-79.63.5176.6-69.1167.9000114N1413 L1415 E1542 I1543 M1544 D1548N1413-L1546 PolarHBondContact ND2-O 3.04Å; L1415-L1546 HydrophobicContact CD1-CD2 3.99Å; E1542-L1546 HydrophobicContact CG-CD1 4.25Å; E1542-L1546 VanDerWaalsContact O-CG 3.27Å; E1542-L1546 WeakPolarHBondContact O-CG 3.48Å; E1542-L1546 PolarHBondContact O-N 3.27Å; I1543-L1546 PolarHBondContact O-N 3.22Å; M1544-L1546 VanDerWaalsContact C-N 3.32Å; M1544-L1546 PolarHBondContact O-N 2.86Å; L1546-D1548 VanDerWaalsContact C-N 3.35Å
1547S61.2Low77.2Confident9 Ų950.3 Ų50.36%0.06325%0.25CS..THydrogen-bonded Turntrans-95.216.6174.572.30000113.4N1413 R1516 I1543 M1544 K1545N1413-S1547 WeakPolarHBondContact ND2-CA 3.3Å; R1516-S1547 VanDerWaalsContact NH1-C 3.28Å; R1516-S1547 PolarHBondContact NH1-O 2.98Å; R1516-S1547 PolarHBondContact NH2-O 2.8Å; R1516-S1547 PolarHBondContact NH2-OG 3.39Å; I1543-S1547 PolarHBondContact O-N 2.85Å; M1544-S1547 PolarHBondContact O-N 3.3Å; M1544-S1547 PolarHBondContact O-OG 2.77Å; K1545-S1547 PolarHBondContact O-N 2.91Å
1548D48.4Very low76.2Confident157 Ų15754.9 Ų54.984%0.8427%0.273SS*.  trans-90.60154.5-78.5-55000110.2N1413 R1516 L1546N1413-D1548 PolarHBondContact ND2-N 3.41Å; N1413-D1548 PolarHBondContact ND2-O 3.44Å; N1413-D1548 PolarHBondContact ND2-OXT 2.72Å; R1516-D1548 IonicContact CZ-OD1 2.91Å; R1516-D1548 IonicContact CZ-OD2 2.71Å; R1516-D1548 IonicContact NH1-OD1 3.91Å; R1516-D1548 PolarHBondContact NH1-OD1 3.33Å; R1516-D1548 IonicContact NH1-OD2 2.78Å; R1516-D1548 PolarHBondContact NH1-OD2 3.17Å; L1546-D1548 VanDerWaalsContact C-N 3.35Å

Retrieved 1,548 of 1,548 residues in 479.5 ms (Link to these results)