X2JF48_DROME Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession X2JF48, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG6324, Length 923 aa.

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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
1M35.3Very low35.1Very low230 Ų230135.1 Ų135.1100%1.13379%0.789SS**  0129.40-63.773.3162.800106.7
2T34.1Very low35.2Very low135 Ų135136.1 Ų136.183%0.82879%0.789SS**  cis-148.4158.2-5.4-66.70000108.2
3R27.4Very low35.1Very low208 Ų208131.5 Ų131.579%0.78577%0.769SS**  trans-72.8162.7178.9-56.9179.4-173.91671.7110.5
4I35.7Very low35.1Very low160 Ų160138.5 Ų138.582%0.82178%0.776SS**  -166.9130.578.9-77.4144.8000105.9
5N35.8Very low35Very low143 Ų143135.8 Ų135.877%0.76577%0.77SS**  cis81.112946.3-84.546000115.9
6G35.7Very low34.9Very low66 Ų66132.9 Ų132.968%0.6876%0.761SS**  trans111.8105.1-171.200000109.8
7S36.2Very low35Very low103 Ų103136.1 Ų136.172%0.7276%0.764SS**  cis72.6134.429.6110.90000112.3
8D37.1Very low35Very low134 Ų134137.1 Ų137.172%0.71777%0.768SS**  cis-146.5172.115.2-98.5-55.1000115.2
9T37.7Very low34.9Very low134 Ų134135.8 Ų135.882%0.82277%0.766SS**  trans10.2146.4155.262.50000121.5
10G34.7Very low34.8Very low61 Ų61137.6 Ų137.663%0.62977%0.767SS**  cis148.2-172.54.500000112.6
11S36.3Very low34.7Very low112 Ų112139.7 Ų139.778%0.78377%0.768SS**  trans60.5119.1177.740.30000116.7
12D35.8Very low34.5Very low147 Ų147134.6 Ų134.679%0.78675%0.75SS**  79.5137.259.7-74.4-52.1000113.8
13S34.5Very low34.4Very low76 Ų76137.7 Ų137.753%0.53175%0.748SS.*  cis-173.2162.8-1261.10000112.1
14R34.7Very low34.8Very low230 Ų230133.1 Ų133.187%0.86875%0.745SS**  trans66.9156.7146.9-72.4159.8-168.8179.93.7118.3
15S33.7Very low34.4Very low98 Ų98130.1 Ų130.169%0.68574%0.744SS**  cis-173.1164.6-15.8171.10000109.6
16S33.5Very low34.1Very low89 Ų89127.5 Ų127.562%0.62274%0.737SS**  trans77.5139158.9-66.10000117.2
17K36.8Very low33.6Very low188 Ų188131 Ų13182%0.81774%0.738SS**  cis-153.5150.90.5-105151.2-169.2179.40110.3
18D34.2Very low33.3Very low154 Ų154134.5 Ų134.582%0.82474%0.737SS**  trans-77174.5173.6-43.8-92.8000112.3
19P34Very low32.8Very low113 Ų113135.4 Ų135.473%0.73474%0.737SS**  -141.6149.778.538.3-22.4000117.3
20E32.1Very low32.4Very low170 Ų170138.6 Ų138.679%0.79474%0.735SS**  trans37.3113.6141.1-57.4-178.312300121.1
21K32.4Very low31.9Very low182 Ų182142.9 Ų142.979%0.79174%0.739SS**  trans-130110.5137.8-85.2-166174.6-176.80110.9Y23K21-Y23 HydrophobicContact CB-CE2 4.49Å
22V32.2Very low31.4Very low123 Ų123144.7 Ų144.775%0.74574%0.74SS**PPolyproline II helixtrans-82.3123.1174.3177.30000109.4
23Y31.7Very low31.1Very low201 Ų201142.3 Ų142.379%0.78874%0.741SS**PPolyproline II helixtrans-100.7118.9169-82.1-90.3000110K21K21-Y23 HydrophobicContact CB-CE2 4.49Å
24P35.1Very low30.8Very low112 Ų112147 Ų14773%0.72775%0.754SS**PPolyproline II helixtrans-77.6137.4176.430.9-33.4000111.5S26P24-S26 PolarHBondContact O-N 2.98Å; P24-S26 VanDerWaalsContact O-N 3.1Å
25A28.1Very low30.6Very low97 Ų97140 Ų14080%0.80274%0.739SS**  trans-75.396.8175.700000111.4I27A25-I27 PolarHBondContact O-N 3Å; A25-I27 VanDerWaalsContact O-N 3.16Å
26S29Very low30.4Very low87 Ų87142.6 Ų142.661%0.60874%0.743SS**  trans-82.587.418062.10000112.5P24 Y28P24-S26 PolarHBondContact O-N 2.98Å; P24-S26 VanDerWaalsContact O-N 3.1Å; S26-Y28 PolarHBondContact O-N 2.76Å; S26-Y28 VanDerWaalsContact O-N 3.14Å
27I26Very low30.2Very low139 Ų139143.9 Ų143.971%0.71375%0.747SS**  trans-72.799.3173.6-60.9170.6000109.6A25A25-I27 PolarHBondContact O-N 3Å; A25-I27 VanDerWaalsContact O-N 3.16Å
28Y29.2Very low29.8Very low177 Ų177143.4 Ų143.469%0.69475%0.752SS**  trans-94.799.2175-82-74.5000112.4S26 Y30S26-Y28 PolarHBondContact O-N 2.76Å; S26-Y28 VanDerWaalsContact O-N 3.14Å; Y28-Y30 PolarHBondContact O-N 2.93Å
29H27.3Very low29.4Very low153 Ų153139.4 Ų139.471%0.70875%0.748SS**  trans-74.799.8167.7-84.650.4000110.8Q31H29-Q31 VanDerWaalsContact C-N 3.33Å; H29-Q31 PolarHBondContact O-N 3.44Å
30Y28.5Very low29.2Very low202 Ų202137.9 Ų137.979%0.79274%0.74SS**  trans-77.782.9166.2-93.1-86.6000111.3Y28Y28-Y30 PolarHBondContact O-N 2.93Å
31Q25.2Very low29.1Very low150 Ų150138.8 Ų138.870%0.70174%0.742SS**  trans-75.3160.2156.7-69.4-178.4-16.400110H29H29-Q31 VanDerWaalsContact C-N 3.33Å; H29-Q31 PolarHBondContact O-N 3.44Å
32N26.3Very low29Very low151 Ų151137.5 Ų137.581%0.80774%0.742SS**  trans71.656.3175-52.2-23.9000117.1
33A27.8Very low28.7Very low97 Ų97139.1 Ų139.180%0.80275%0.746SS**  trans-119.2108.915000000108.9
34H29.3Very low28.6Very low173 Ų173136.7 Ų136.780%0.80175%0.747SS**  trans-79.2130.4178-75.1-84.2000110.6I36H34-I36 PolarHBondContact O-N 3.05Å
35P31.3Very low28.5Very low85 Ų85139.3 Ų139.355%0.55275%0.75SS**  trans-69.7129.917029.4-32.7000109.8T37P35-T37 PolarHBondContact O-N 2.92Å
36I27.9Very low28.6Very low152 Ų152144.1 Ų144.178%0.77975%0.753SS**  trans-78.3106.6170.8-61.4175.1000107.4H34 L38H34-I36 PolarHBondContact O-N 3.05Å; I36-L38 PolarHBondContact O-N 3.32Å
37T29.2Very low28.8Very low116 Ų116149.7 Ų149.771%0.71277%0.766SS**  trans-68.4128-179.9-41.90000110.6P35 G39P35-T37 PolarHBondContact O-N 2.92Å; T37-G39 PolarHBondContact O-N 3.38Å
38L28.8Very low29Very low177 Ų177152.7 Ų152.793%0.92777%0.774SS**SBendtrans-78.351.2-171-154.5110.3000113.5I36I36-L38 PolarHBondContact O-N 3.32Å
39G27.2Very low29.1Very low71 Ų71154.6 Ų154.673%0.73279%0.786SS**  trans-135.621.7-172.800000114.8T37T37-G39 PolarHBondContact O-N 3.38Å
40S28.8Very low29.3Very low80 Ų80150.8 Ų150.856%0.55979%0.788SS**SBendtrans-125.49.6-170.2550000115.4
41F30.1Very low29.6Very low190 Ų190151.4 Ų151.483%0.83380%0.795SS**SBendtrans-1338.8-172.4-82.5-79000115.9
42I29.2Very low30Very low155 Ų155152.4 Ų152.480%0.79580%0.799SS**  trans-121.487.8177.2-53.3177.3000109.7
43D27Very low30.3Very low157 Ų157152.3 Ų152.384%0.8480%0.799SS**  trans179.8119148.3-104.2-26.1000110.9
44D28.5Very low30.5Very low150 Ų150153.2 Ų153.280%0.80280%0.799SS**SBendtrans180-16140.6-127.2-14.6000114.8
45Q33.2Very low30.8Very low167 Ų167148.6 Ų148.678%0.7880%0.799SS**SBendtrans-113.5-9.2-166.4-70.1-61-42.600117.7
46F30.3Very low31Very low198 Ų198154.2 Ų154.287%0.86881%0.814SS**SBendtrans-116.411-165.5-96.5-86.8000118.4
47F33.4Very low31.2Very low203 Ų203152.1 Ų152.189%0.8981%0.813SS**  trans-129.165.9175.9-90-76.7000115
48K30.4Very low31.6Very low202 Ų202155.7 Ų155.788%0.87882%0.822SS**  trans-136.969.5168.9-78.2-177.5-179.8157.60113.9
49K31.8Very low32Very low218 Ų218155.2 Ų155.295%0.94881%0.812SS**  trans-160.4122.1159-113164.2-172.8175.90113
50G30.7Very low32.4Very low72 Ų72158 Ų15874%0.74282%0.815SS**  trans84.893.715300000119.1
51K35Very low32.6Very low216 Ų216160.1 Ų160.194%0.93982%0.818SS**  -173.7150.3101.4-95.9163.5-176.3176.90111.2
52Q34.1Very low32.8Very low171 Ų171158.2 Ų158.280%0.79981%0.811SS**  trans-112.4159.3177.5-65.6178.5-70.300110.5
53N32.6Very low33.1Very low148 Ų148158.3 Ų158.379%0.79181%0.808SS**  trans67.7149.8161.2-55.7-23.7000116.7
54S32Very low33.7Very low116 Ų116157.3 Ų157.381%0.81180%0.799SS**  cis-167.5142.7-2350.20000109.3
55G35Very low34Very low77 Ų77155.7 Ų155.779%0.79480%0.796SS**  trans-171.7152.8175.600000111.4
56K35.2Very low34.2Very low202 Ų202152.8 Ų152.888%0.87879%0.794SS**  trans-132.1159-173-68.8-179.4179.8175.40112.4
57S33.7Very low34.4Very low109 Ų109152.1 Ų152.176%0.76279%0.791SS**  trans73.9154.5167.2-53.90000115.6
58Q37.7Very low34.6Very low191 Ų191150.2 Ų150.289%0.89379%0.789SS**  cis-134.3-169.16.3-153139.3-48.600112.9
59K36.1Very low34.9Very low166 Ų166149.7 Ų149.772%0.72279%0.786SS**  trans-141.4124.2-152.6174.4-156.2175.1-165.50113.8
60V35Very low35.2Very low130 Ų130145.2 Ų145.279%0.78878%0.78SS**  trans-148.2113.8161.2-156.40000104.7
61M33.5Very low35.5Very low125 Ų125150.3 Ų150.362%0.61679%0.786SS**  54.4129.177.9-61.8-176.1-58.800113.6
62E34.7Very low36Very low149 Ų149149.2 Ų149.270%0.69678%0.781SS**  cis-160.4179.5-11.7-120.6179.552.600107.3
63Q35.2Very low36.2Very low158 Ų158147.1 Ų147.174%0.73878%0.783SS**  cis-139.7-11312.8-161.3168.686.700112.9
64Q39.6Very low36.4Very low136 Ų136145.5 Ų145.564%0.63678%0.783SS**  trans-169.6173.4-175.7-117.5172.9100.600108.9
65P35.8Very low36.9Very low115 Ų115148.4 Ų148.475%0.74778%0.784SS**  cis-138.9-174.241.747.1-28.9000113.7
66S36.2Very low37.2Very low106 Ų106150.6 Ų150.674%0.74178%0.784SS**  cis-138.81353.7-53.10000109.3
67K34.5Very low37.5Very low184 Ų184149.8 Ų149.880%0.879%0.785SS**PPolyproline II helixtrans-94.8121.8177.4-76.4-172.7174.6-177.60113.4
68I37.9Very low37.8Very low164 Ų164151.7 Ų151.784%0.84179%0.787SS**PPolyproline II helixtrans-69.1140.1161.4-61.2174.8000108.4P70I68-P70 WeakPolarHBondContact O-CD 3.32Å
69K37.6Very low37.8Very low190 Ų190148.1 Ų148.183%0.82678%0.78SS**PPolyproline II helixtrans-76.2125.4178-65.9178.2-179175.60110.3
70P36.5Very low37.9Very low125 Ų125148.2 Ų148.281%0.81279%0.787SS**PPolyproline II helixtrans-63.9140.2164.7-17.731.7000110.2I68I68-P70 WeakPolarHBondContact O-CD 3.32Å
71M37.8Very low37.9Very low178 Ų178150.1 Ų150.188%0.87779%0.787SS**PPolyproline II helixtrans-66.3150.3166.5-79173.759.400110.2
72K44.7Very low38.1Very low194 Ų194150 Ų15084%0.84380%0.796SS**PPolyproline II helixtrans-59.9136.2168.3-68.2-176.1177.2-1760109S74K72-S74 PolarHBondContact O-N 2.83Å
73P39.9Very low38.2Very low127 Ų127149.7 Ų149.783%0.82580%0.804SS**PPolyproline II helixtrans-55.9132.7162.5-21.733.5000109.4
74S35.4Very low38Very low114 Ų114149.4 Ų149.480%0.79781%0.808SS**PPolyproline II helixtrans-65.9146.9167.251.10000109.7K72K72-S74 PolarHBondContact O-N 2.83Å
75E43.3Very low37.9Very low177 Ų177151.2 Ų151.283%0.82782%0.82SS**PPolyproline II helixtrans-56.3141.3-180-65171.4168.600111.4M77E75-M77 PolarHBondContact O-N 3.29Å
76P41.9Very low37.5Very low122 Ų122154.1 Ų154.179%0.79282%0.821SS**PPolyproline II helixtrans-64.913017528.1-33.4000109.3N78P76-N78 PolarHBondContact O-N 2.88Å
77M39.9Very low37.3Very low186 Ų186152.3 Ų152.392%0.91682%0.82SS**PPolyproline II helixtrans-58136.7172.2-79.2-173.6166.300110E75E75-M77 PolarHBondContact O-N 3.29Å
78N40.2Very low37.2Very low149 Ų149152.4 Ų152.480%0.79782%0.823SS**PPolyproline II helixtrans-55.1133.4175.8-78.6-47.1000110.4P76 I80P76-N78 PolarHBondContact O-N 2.88Å; N78-I80 PolarHBondContact O-N 3.42Å
79P38.8Very low36.9Very low116 Ų116152.2 Ų152.275%0.75382%0.822SS**PPolyproline II helixtrans-62.3132.3172.626.9-33.3000109.6Q81P79-Q81 PolarHBondContact O-N 3.1Å
80I37.2Very low36.4Very low168 Ų168150.3 Ų150.386%0.86282%0.821SS**PPolyproline II helixtrans-63.6132.6175.3-62.5173.5000108.1N78N78-I80 PolarHBondContact O-N 3.42Å
81Q35.1Very low36.3Very low170 Ų170150.3 Ų150.379%0.79482%0.821SS**PPolyproline II helixtrans-63.1135.7-176.3-63.3-179.69.900110.9P79 V83P79-Q81 PolarHBondContact O-N 3.1Å; Q81-V83 PolarHBondContact O-N 3.03Å
82P38.4Very low36.1Very low123 Ų123150 Ų15080%0.79982%0.821SS**PPolyproline II helixtrans-66.1131.5174.128.2-33.8000110
83V37.1Very low35.7Very low141 Ų141143.3 Ų143.386%0.85581%0.807SS**PPolyproline II helixtrans-73.6128.5179.4-174.20000109.4Q81 L85Q81-V83 PolarHBondContact O-N 3.03Å; V83-L85 PolarHBondContact O-N 3.4Å; V83-L85 VanDerWaalsContact O-N 3.16Å
84N30.9Very low35.5Very low153 Ų153143.8 Ų143.882%0.81881%0.81SS**  trans-59.1114.4-175.5-78.3-50.7000113.4
85L37.3Very low35.5Very low173 Ų173145.1 Ų145.191%0.90681%0.813SS**  trans-92.2120.5154.3-74.3171.6000108.5V83 G87V83-L85 PolarHBondContact O-N 3.4Å; V83-L85 VanDerWaalsContact O-N 3.16Å; L85-G87 PolarHBondContact O-N 3.29Å
86K27.9Very low35.2Very low176 Ų176144 Ų14477%0.76581%0.813SS**  trans-76.7120.1-177.5-76-176.4176.5179.70111
87G31.4Very low34.8Very low69 Ų69143.7 Ų143.771%0.71181%0.811SS**  trans92.8108.4152.300000116.6L85L85-G87 PolarHBondContact O-N 3.29Å
88Q31.7Very low34.4Very low186 Ų186143.7 Ų143.787%0.86981%0.811SS**  -166.6125.6109.5-101.4171.83.900112
89I31.4Very low34.2Very low159 Ų159144.3 Ų144.382%0.81581%0.814SS**  trans34128.1143.9-46.9179.9000119.7
90N28.6Very low33.8Very low151 Ų151146.8 Ų146.881%0.80782%0.816SS**PPolyproline II helixtrans-69.5135.5179.2-52.6-35.4000113.6
91P34.2Very low33.8Very low124 Ų124148.7 Ų148.781%0.80582%0.818SS**PPolyproline II helixtrans-77.5141.4158.531.8-31.8000111
92I33.7Very low33.5Very low172 Ų172147.2 Ų147.288%0.88281%0.814SS**PPolyproline II helixtrans-77.4141179.5-64.3170.2000110.1
93G34.8Very low33.4Very low53 Ų53149.4 Ų149.455%0.54682%0.817SS.*PPolyproline II helixtrans-70.4155.9-175.700000114.6
94P35.9Very low33Very low137 Ų137150.2 Ų150.289%0.8981%0.809SS**PPolyproline II helixtrans-70.3136-17829.2-35000112.4
95V36.2Very low33Very low143 Ų143149.4 Ų149.487%0.86781%0.805SS**PPolyproline II helixtrans-85.5143.9172.6-178.30000109.8
96N36.2Very low32.6Very low153 Ų153146.5 Ų146.582%0.81880%0.799SS**PPolyproline II helixtrans-73.9156.5-171.2-128.717.9000113.1
97P33Very low32.7Very low116 Ų116144.7 Ų144.775%0.75380%0.802SS**PPolyproline II helixtrans-81.8172.6-171.733.9-35.9000114.9
98M31.7Very low32.6Very low186 Ų186148.7 Ų148.792%0.91681%0.807SS**PPolyproline II helixtrans-46.5146.6-167.7-59.7172.8-177.400117.5
99D36.8Very low32.6Very low162 Ų162145.1 Ų145.187%0.86680%0.8SS**PPolyproline II helixtrans-78.3156.3159.8-157.8-4.5000111.1
100Q30.5Very low32.3Very low167 Ų167146.3 Ų146.378%0.7881%0.805SS**PPolyproline II helixtrans-93.6139.6-169-58.5176.514.600112.4
101K36.8Very low32.3Very low208 Ų208142.4 Ų142.490%0.90480%0.8SS**  trans-147.2130.3148.9-126.1174.6-171.7-177.90115.4
102I30Very low32.1Very low140 Ų140145.1 Ų145.172%0.71880%0.802SS**  trans-80.2132.6178.3-61156.3000109.4K104I102-K104 HydrophobicContact CG2-CG 4.23Å
103I35.5Very low31.8Very low168 Ų168144.3 Ų144.386%0.86280%0.798SS**  trans-130.9140.6148.8-62-176000107.1
104K29.2Very low31.7Very low159 Ų159149.5 Ų149.569%0.69181%0.805SS**  trans-109.6175179.2-71.1-176.9165.5-172.20111.3I102I102-K104 HydrophobicContact CG2-CG 4.23Å
105D30Very low31.4Very low135 Ų135148.2 Ų148.272%0.72280%0.797SS**  trans78.5111148.9-54.5-40.4000118.7
106S28.3Very low31Very low112 Ų112150.4 Ų150.478%0.78380%0.8SS**  trans69.2160.3151.6-48.30000117.4
107V30.6Very low30.9Very low138 Ų138150.2 Ų150.284%0.83680%0.799SS**  cis-137.9159.11.1-138.50000109.4
108N29.4Very low30.8Very low153 Ų153149.8 Ų149.882%0.81880%0.796SS**  trans-107.2119.2174.5-169.324.7000111.4
109P30.6Very low30.6Very low111 Ų111149.1 Ų149.172%0.72179%0.793SS**  trans-111.9150.3170.336.8-27.6000113.5
110M25.5Very low30Very low185 Ų185146.8 Ų146.891%0.91179%0.788SS**  trans-93.5137.9-169.8-63.2165.5-77.300114.5
111G28.2Very low29.9Very low69 Ų69147.3 Ų147.371%0.71179%0.79SS**  trans82.2140.2131.100000120.2
112Q30.2Very low29.4Very low181 Ų181147.5 Ų147.585%0.84679%0.785SS**  -174.3117.8118.4-97.2173.641.600112.5
113I27.7Very low29.4Very low154 Ų154146.5 Ų146.579%0.7978%0.782SS**  64.2137.8127.4-58.8172.1000120.8
114K32.8Very low29Very low162 Ų162142.9 Ų142.970%0.70477%0.771SS**  trans-111.9152.9177.9-61179178.3179.60113
115P30.4Very low29.1Very low110 Ų110143 Ų14371%0.71478%0.776SS**  trans-101.8-177.8152.6-6.527.4000113.9
116M27.7Very low29Very low189 Ų189140.4 Ų140.493%0.93177%0.774SS**  trans-120.7168.4-164.3-80.4166.451.500116.4
117N34.5Very low29.1Very low150 Ų150139.9 Ų139.980%0.80277%0.77SS**  trans-84.4160.5-178.3-124.727.1000114.6
118P30.8Very low29Very low107 Ų107140.8 Ų140.870%0.69578%0.775SS**  -134.8143.1129.838.6-27.8000111.6
119M27.4Very low29.1Very low171 Ų171140.6 Ų140.684%0.84278%0.775SS**  55.9134.361.9-61.4-149.2-57.700114.1
120C24.2Very low29.3Very low113 Ų113138.9 Ų138.976%0.76476%0.763SS**  cis-148.8-156.73.5-139.60000108.8
121Q28.3Very low29.5Very low178 Ų178141 Ų14183%0.83276%0.763SS**  cis-150-1348.9-151.7170.693.300112.4
122R26.6Very low29.7Very low212 Ų212141.5 Ų141.580%0.877%0.768SS**  trans-164.3163.2-171-168.1-169.6-72157-5.9113.1
123N29.2Very low29.7Very low120 Ų120141.5 Ų141.564%0.64277%0.768SS**  trans126.7146.5154.2-62.2-12000113.8
124S27.9Very low29.9Very low92 Ų92142 Ų14264%0.64377%0.771SS**  cis92.1139.615.2-51.50000115.4
125M29.9Very low29.9Very low160 Ų160142.3 Ų142.379%0.78877%0.774SS**  cis-165177.45.1-126.7-65.4-76.600112.9
126A28.9Very low30.3Very low81 Ų81142.5 Ų142.567%0.66978%0.775SS**  trans76.3170.616300000119.6
127S29.6Very low30.7Very low102 Ų102143.6 Ų143.671%0.71378%0.775SS**  cis165.8124.7-49.7-82.30000111.2
128V30.2Very low30.5Very low156 Ų156139.9 Ų139.995%0.94577%0.772SS**  trans-156.1160.7153.3-132.30000113.2
129N30.3Very low30.6Very low150 Ų150141 Ų14180%0.80278%0.779SS**  trans-137.2-161.6173.7-149.19.2000105.8
130P35.9Very low30.9Very low75 Ų75139.9 Ų139.949%0.48778%0.782SS.*  cis-136.2-157.4-1741.5-20.9000114
131Y28.9Very low31.5Very low229 Ų229141.5 Ų141.590%0.89878%0.783SS**  trans116.8136.1153-66.6-65.8000118
132G32.8Very low31.9Very low80 Ų80138 Ų13883%0.82578%0.776SS**  trans142.792.6170.500000114.1
133Q30.6Very low32.3Very low180 Ų180134.7 Ų134.784%0.84177%0.774SS**  trans-93.6158.7171.4-64178.11.700111.4
134I32.1Very low32.7Very low165 Ų165133.4 Ų133.485%0.84677%0.772SS**  trans-174.8138.8132.1-93.5148.9000108.8
135H32.8Very low33Very low168 Ų168136.8 Ų136.878%0.77878%0.783SS**  trans-104.8-158.8177.5-63-168.1000111.2
136P37.9Very low33.3Very low114 Ų114133 Ų13374%0.7479%0.785SS**  -129.3-171.2-104.241.3-22.4000113.6
137K36.4Very low33.5Very low213 Ų213138.4 Ų138.493%0.92680%0.796SS**  trans-158.7157145.3-113.3158.2-172.3176.70113
138G30.1Very low33.7Very low71 Ų71142.6 Ų142.673%0.73281%0.807SS**  trans-87.5-176.4-164.500000116.9
139P32.2Very low33.9Very low130 Ų130143.7 Ų143.784%0.84480%0.799SS**  trans-100.3165.6-154.738.5-37.6000115.7
140V34.6Very low34.2Very low148 Ų148144.5 Ų144.590%0.89780%0.797SS**  trans-138.7130.5161.5-1780000109.1
141N35.6Very low34.1Very low148 Ų148150 Ų15079%0.79182%0.819SS**  trans-110.1165.8172.6-145.215.1000107.2
142P37Very low34.2Very low105 Ų105142.3 Ų142.368%0.68281%0.809SS**  cis-138.5173.54.742.9-24.4000117.7
143N35.5Very low34.1Very low142 Ų142144.5 Ų144.576%0.75981%0.809SS**  trans12.7160.3133.9-130.211.8000120.7
144P37.6Very low34.2Very low93 Ų93145 Ų14560%0.60481%0.813SS**  cis-135.1-168.2-4.330.7-6.4000115.7
145N34.4Very low34.2Very low162 Ų162144 Ų14487%0.86681%0.81SS**  trans79.7115161.6-62.7-24000119.1
146G35.5Very low33.9Very low81 Ų81143.1 Ų143.184%0.83581%0.81SS**  trans173.783.6168.200000113.5
147Q33.2Very low33.6Very low195 Ų195146.7 Ų146.791%0.91182%0.819SS**  trans-74.8125.6172.3-68.4-179.7-7.700110.8
148M34Very low33.3Very low190 Ų190145.1 Ų145.194%0.93682%0.815SS**  trans-139.8141.7149.4-79-154.6-71.100110.8
149K34.9Very low33.5Very low179 Ų179147.4 Ų147.478%0.77882%0.817SS**  trans-107.6173.9174.1-71.3-179.7179179.40109.4
150H36.1Very low33.4Very low166 Ų166144.9 Ų144.977%0.76981%0.814SS**  trans76.5108.2164.9-44.2-78.4000116.6
151M33.2Very low33.2Very low192 Ų192144.7 Ų144.795%0.94681%0.809SS**  -154.4158.296.2-102.5176.7-72.700111.1
152G31.6Very low33Very low66 Ų66143.3 Ų143.368%0.6881%0.808SS**  trans-88179.6-178.100000113.9
153P31.6Very low32.5Very low127 Ų127146 Ų14683%0.82582%0.816SS**  trans-83157.3-165.533.3-36.7000114.8
154M31.5Very low32.3Very low190 Ų190142.4 Ų142.494%0.93681%0.812SS**  trans-107149.8163.2-83.1-80.6-77.500109.8
155N32.6Very low32Very low144 Ų144146.7 Ų146.777%0.7783%0.825SS**  trans-98.6152.8-166.4-97.9-27.9000114.7
156L27Very low31.7Very low149 Ų149145.8 Ų145.878%0.7882%0.818SS**  trans42.1112.9143.7-70157.4000119.4
157M31.3Very low31.1Very low190 Ų190148.1 Ų148.194%0.93681%0.812SS**  -155.2118.8129.7-131.9166.9-7400113.4
158E29.8Very low30.8Very low179 Ų179143.7 Ų143.784%0.83680%0.802SS**  trans-126.3174.1157.8-112.1-155140.900106.2
159P33.6Very low30.4Very low120 Ų120142.4 Ų142.478%0.77980%0.796SS**  cis-126.5-177.71.140.9-26.5000113.5
160G30.5Very low30Very low76 Ų76138.7 Ų138.778%0.78479%0.793SS**  trans174112.2163.200000116.2
161N30Very low29.6Very low145 Ų145140 Ų14078%0.77580%0.799SS**  trans-140.9125.1171.8174.411.1000110.9
162P32.9Very low29.3Very low119 Ų119139.4 Ų139.477%0.77380%0.796SS**  trans-133.8112.5156.134-17.4000114.5
163N25.7Very low29Very low161 Ų161143.9 Ų143.986%0.86180%0.804SS**  trans13.6123.5146.6-62.9-24.7000121.4
164G31.1Very low29Very low66 Ų66142.7 Ų142.768%0.6880%0.797SS**  trans-152.1122.5148.900000109.3
165Q30.7Very low28.7Very low184 Ų184142.4 Ų142.486%0.8680%0.795SS**  64126.688.7-73.2-167.9-5.100113.5
166I28.1Very low28.5Very low142 Ų142138.7 Ų138.773%0.72879%0.791SS**  cis-152.7155.411.4-97.3147.8000110.6
167N24.4Very low28.5Very low131 Ų131140 Ų14070%0.70179%0.793SS**  trans-104.8128.5169.1-97.9-15.8000111.8
168S26.1Very low28.2Very low102 Ų102137.2 Ų137.271%0.71378%0.78SS**  trans165.3154.9161.6-84.30000110.2
169M26.2Very low28.2Very low162 Ų162134.7 Ų134.780%0.79877%0.773SS**  cis-158146.1-2.4-124.7-175.9-66.900111.9
170S26.1Very low27.8Very low102 Ų102136.1 Ų136.171%0.71377%0.772SS**  trans17.9106.5144.9-50.50000122.5
171Q28.3Very low27.7Very low192 Ų192139.2 Ų139.290%0.89777%0.768SS**  trans-143.3110.6138.2-64.3-168.118.200107.2
172M26Very low27.7Very low181 Ų181136.3 Ų136.389%0.89276%0.759SS**  78.5101.371.9-71.7-168.5179.700115.3
173N26.1Very low27.6Very low159 Ų159137.8 Ų137.885%0.8576%0.756SS**  trans-57.7168.1152.7-77.6-21.4000110.8
174P31.2Very low27.6Very low103 Ų103137.9 Ų137.967%0.66975%0.753SS**  cis-143.9-168.524.838.5-15.7000116.9
175M25.8Very low27.7Very low184 Ų184141.3 Ų141.391%0.90676%0.756SS**  trans75.7143.5171.2-50.6-175.1-63.600116.3
176G27.6Very low27.5Very low65 Ų65139.5 Ų139.567%0.6775%0.751SS**  cis165.5169.9-9.500000113.9
177Q27.9Very low27.6Very low177 Ų177138.9 Ų138.983%0.82775%0.747SS**  trans69.2102.7169.7-54.7-166.524.200116
178I24.2Very low28.1Very low132 Ų132137 Ų13768%0.67774%0.737SS**  89.6116.593.3-75.6160.4000112.7I180I178-I180 HydrophobicContact CG2-CG1 4.32Å
179N28.8Very low28.3Very low126 Ų126139 Ų13967%0.67474%0.735SS**  trans-141.1105.3133.4-163.7-3.8000108.8M181N179-M181 PolarHBondContact O-N 2.88Å; N179-M181 VanDerWaalsContact OD1-CE 3.26Å; N179-M181 WeakPolarHBondContact OD1-CE 3.41Å
180I25.3Very low28.3Very low150 Ų150137.7 Ų137.777%0.76973%0.73SS**  trans-93.586.2-177.4-60.9171.6000108.3I178I178-I180 HydrophobicContact CG2-CG1 4.32Å
181M28.4Very low28.5Very low140 Ų140139.6 Ų139.669%0.6973%0.732SS**  trans-152.2146.3170.1-77.3-168-78.900106.7N179N179-M181 PolarHBondContact O-N 2.88Å; N179-M181 VanDerWaalsContact OD1-CE 3.26Å; N179-M181 WeakPolarHBondContact OD1-CE 3.41Å
182S31.5Very low28.5Very low85 Ų85136.9 Ų136.959%0.59472%0.723SS**  cis-173.8154.7-8-89.50000104.7
183Q30.8Very low28.5Very low150 Ų150134.3 Ų134.370%0.70171%0.71SS**  cis-164144-5.4-111.1165.367.100106.5
184M26Very low28.7Very low162 Ų162130.8 Ų130.880%0.79870%0.698SS**  trans65.7148175.1-56.8169.2-76.900115.2
185N31.5Very low28.6Very low139 Ų139134.9 Ų134.974%0.74371%0.708SS**  cis-99.41272.3-109.8-16.6000112.9M187N185-M187 HydrophobicContact CB-CB 4.48Å; N185-M187 PolarHBondContact O-N 3.29Å
186L27.6Very low28.5Very low145 Ų145132.3 Ų132.376%0.75970%0.695SS**  trans-80.790.4160.5-172.6149000106.7D188L186-D188 HydrophobicContact CD2-CB 3.81Å; L186-D188 WeakPolarHBondContact CD2-OD2 3.5Å; L186-D188 HydrophobicContact CG-CB 4.04Å
187M29.8Very low28.8Very low130 Ų130136.8 Ų136.864%0.6470%0.704SS**  trans-157.572.3176-169.5172.918000107.9N185 I190N185-M187 HydrophobicContact CB-CB 4.48Å; N185-M187 PolarHBondContact O-N 3.29Å; M187-I190 HydrophobicContact CE-CB 4.45Å
188D34.1Very low28.7Very low92 Ų92135.7 Ų135.749%0.49270%0.703SS.*  cis5682.733.3-139.3-11000111.8L186 I190L186-D188 HydrophobicContact CD2-CB 3.81Å; L186-D188 WeakPolarHBondContact CD2-OD2 3.5Å; L186-D188 HydrophobicContact CG-CB 4.04Å; D188-I190 PolarHBondContact O-N 2.95Å
189Q30.7Very low29Very low143 Ų143138.6 Ų138.667%0.66872%0.716SS**  trans64.440.9148.1-61179.583.500120
190I25.8Very low29Very low135 Ų135136.1 Ų136.169%0.69272%0.72SS**SBendtrans-124.960.3149.4-41-178.9000112.4M187 D188M187-I190 HydrophobicContact CE-CB 4.45Å; D188-I190 PolarHBondContact O-N 2.95Å
191N30.3Very low29.3Very low141 Ų141136.4 Ų136.475%0.75472%0.718SS**SBendtrans-146.623.9131.1-141.6-7.6000113.7M193N191-M193 PolarHBondContact O-N 2.88Å
192L29.1Very low29.6Very low135 Ų135135.8 Ų135.871%0.70773%0.725SS**SBendtrans-91.424169.2-130.9166.7000111.1
193M26.5Very low29.7Very low127 Ų127137 Ų13763%0.62673%0.728SS**  trans-139.954.8-179.2-151.3-174.3-56.600111.9N191 M196N191-M193 PolarHBondContact O-N 2.88Å; M193-M196 HydrophobicContact CG-CE 3.74Å; M193-M196 HydrophobicContact SD-CE 4.1Å
194S29.9Very low29.6Very low85 Ų85135.8 Ų135.859%0.59473%0.727SS**SBendtrans-130.1-7.1153.5-74.60000113.4M196S194-M196 PolarHBondContact O-N 3Å
195Q28.1Very low29.9Very low189 Ų189133.1 Ų133.188%0.88372%0.722SS**THydrogen-bonded Turntrans-74.158.8149.9-71.3-164.755.800110.5
196M25.5Very low29.8Very low131 Ų131133 Ų13365%0.64572%0.721SS**THydrogen-bonded Turntrans-152.13.5164.9-121.9-162.3-54.900115.8M193 S194 L198M193-M196 HydrophobicContact CG-CE 3.74Å; M193-M196 HydrophobicContact SD-CE 4.1Å; S194-M196 PolarHBondContact O-N 3Å; M196-L198 PolarHBondContact O-N 3.14Å
197N32.1Very low30.1Very low159 Ų159131.5 Ų131.585%0.8572%0.717SS**  trans-79.657.6171.1-74.3-5.2000111.8
198L27.3Very low30.2Very low154 Ų154133.1 Ų133.181%0.80672%0.723SS**  trans-94.7130.7154.1-86.1167000107.5M196M196-L198 PolarHBondContact O-N 3.14Å
199M29.3Very low30Very low192 Ų192136.2 Ų136.295%0.94674%0.737SS**SBendtrans74.2138.1-175.1-47.3-178.4-69.200116.1
200G30Very low30.1Very low74 Ų74138 Ų13876%0.76374%0.742SS**  trans12059.8147.600000119.1
201E30.8Very low30.5Very low157 Ų157136.2 Ų136.273%0.73474%0.739SS**  trans-21.1140.2158.8-71.2-75.3118.900118.1V203E201-V203 HydrophobicContact CB-CG2 3.98Å; E201-V203 HydrophobicContact CG-CG2 4.32Å
202P35.4Very low30.6Very low127 Ų127137.6 Ų137.683%0.82574%0.743SS**  trans-110.7111.4135.432.9-28.5000111.5
203V32.6Very low30.8Very low110 Ų110139.1 Ų139.167%0.66775%0.747SS**  trans-77.9120.7-169.8179.10000113.4E201E201-V203 HydrophobicContact CB-CG2 3.98Å; E201-V203 HydrophobicContact CG-CG2 4.32Å
204N29.7Very low31.2Very low125 Ų125138.3 Ų138.367%0.66875%0.749SS**  trans53.8149.3141.9-147.63.5000120.1N206N204-N206 PolarHBondContact OD1-N 3.45Å
205P32.5Very low31.3Very low106 Ų106143.8 Ų143.869%0.68876%0.763SS**  -151.1125.99635-15.6000117.4
206N29.8Very low31.9Very low136 Ų136139.6 Ų139.673%0.72775%0.752SS**  trans71.1155.3158-53.1-49.5000116N204N204-N206 PolarHBondContact OD1-N 3.45Å
207V32.2Very low32.2Very low113 Ų113141.1 Ų141.169%0.68576%0.763SS**  cis-146.6132.430.1176.90000112.4
208Q33.6Very low32.3Very low164 Ų164136.8 Ų136.877%0.76676%0.755SS**  trans62.5116.5156.7-69.51641900119.5
209M29.7Very low32.7Very low157 Ų157138.3 Ų138.377%0.77376%0.758SS**  74.7138.181.7-72.4-160.8-156.600114.4
210K32.1Very low32.9Very low181 Ų181136 Ų13679%0.78775%0.749SS**  cis-156-179.97.2-117.9-174.21781800110.6
211P34.6Very low32.8Very low97 Ų97139.8 Ų139.863%0.6375%0.751SS**  trans-138.3-162.7-132.240.9-17.4000116.5
212M31.4Very low33Very low171 Ų171137.2 Ų137.284%0.84275%0.748SS**  trans75.8154.6167.9-66.5-177-69.300116.3
213E34.6Very low32.8Very low166 Ų166139.7 Ų139.778%0.77675%0.751SS**  cis-113.9-171.43.2-59-178.2-16800111.8
214T34.3Very low32.7Very low110 Ų110143.2 Ų143.268%0.67576%0.76SS**  cis-146.6-169.91.9-26.80000110.5
215F32.7Very low33Very low200 Ų200142.2 Ų142.288%0.87776%0.761SS**  trans-142.8-176176.9-90.1-76.8000107.3
216P38.9Very low32.8Very low102 Ų102145.7 Ų145.766%0.66277%0.77SS**  cis-150.6-164.825.144.9-21.9000118.6
217N33.2Very low32.9Very low162 Ų162145.9 Ų145.987%0.86677%0.771SS**  trans95.9118169.1-60-15.6000116.5
218G34.8Very low33.1Very low68 Ų68144.6 Ų144.670%0.70177%0.765SS**  cis168.2164.2-1000000114.1
219Q34.7Very low32.8Very low186 Ų186144.3 Ų144.387%0.86977%0.769SS**  trans69.8146.6173.8-56.9-177.2-0.700116.8
220I33.6Very low33Very low144 Ų144140 Ų14074%0.73876%0.764SS**  cis-148.3136.8-13.3-110.8160.5000110.8
221N28.8Very low32.9Very low153 Ų153139.3 Ų139.382%0.81876%0.764SS**  trans-3.1168.3161.1-74.6-0.5000126.1
222P33.8Very low32.6Very low104 Ų104141.8 Ų141.868%0.67577%0.769SS**  trans-120178.5-162.144.8-33000116.4
223M32.3Very low32.5Very low178 Ų178140.1 Ų140.188%0.87776%0.763SS**  trans-179.8135.8145.7-96.2165.3-72.400107.6
224E29.4Very low32.1Very low185 Ų185136.7 Ų136.786%0.86476%0.757SS**  90.2153.354.9-89-148.1-164.900115.3
225P36.7Very low31.8Very low104 Ų104139.9 Ų139.968%0.67577%0.767SS**  -126.4171.5-129.244.1-34000117.5
226M28.1Very low31.5Very low178 Ų178135.1 Ų135.188%0.87776%0.759SS**  trans173.9142.6144.2-94.3179.2-167.400108.9
227N31.4Very low31Very low140 Ų140135.3 Ų135.375%0.74976%0.762SS**  cis77.1148.348-159.148.9000112.8
228P37.2Very low30.6Very low86 Ų86135.7 Ų135.756%0.55876%0.761SS**  cis-130.3-164.1-10.929.8-6.1000114.8
229N26.5Very low30.4Very low159 Ų159139.5 Ų139.585%0.8577%0.765SS**  trans91.1137.5149.4-67.2-22.3000121.1
230G34.3Very low30.4Very low66 Ų66135 Ų13568%0.6875%0.752SS**  trans12354.2-174.600000112.2
231Q30.1Very low29.9Very low167 Ų167136.7 Ų136.778%0.7876%0.759SS**  45.6118.996.2-74.5-172.6-17.200112.9
232M28.6Very low29.9Very low149 Ų149132.4 Ų132.473%0.73475%0.751SS**  cis-156145.741.2-117163.2-78.100114.9
233N29.4Very low29.5Very low136 Ų136136 Ų13673%0.72776%0.759SS**  trans38.4112.9133.1-57.65.9000119.4
234S26.2Very low29.2Very low93 Ų93134.9 Ų134.965%0.6575%0.753SS**  80.8106.355.7790000116
235M27.1Very low29.3Very low178 Ų178134.4 Ų134.488%0.87776%0.756SS**  -163.4123.9127.2-101.8171-76.400106.8
236S27.3Very low28.8Very low100 Ų100133.7 Ų133.770%0.69975%0.752SS**  83.5117.164.1-63.90000112.2
237S27Very low28.8Very low105 Ų105131.7 Ų131.773%0.73474%0.742SS**  trans65.3160-179.281.80000114.7
238M26Very low28.7Very low170 Ų170131.7 Ų131.784%0.83774%0.742SS**  cis-146134.32.9-148.2168-64.100110.5
239N30.2Very low28.2Very low149 Ų149133.7 Ų133.780%0.79774%0.744SS**  trans-97.6156.5157.9-141.62.2000105.9
240P33.7Very low28.2Very low92 Ų92131.2 Ų131.260%0.59773%0.729SS**  cis-132.5-138-0.941.8-21.7000110.8
241M24.7Very low27.9Very low178 Ų178135 Ų13588%0.87773%0.734SS**  trans77139.8175.7-49.1178-66.200114.7
242G27.9Very low27.6Very low63 Ų63133.9 Ų133.965%0.64973%0.732SS**  cis137.7124.8-5.500000111.5
243Q26Very low27.5Very low180 Ų180132.9 Ų132.984%0.84173%0.728SS**  trans64.6161.7-165.6-38.1179.35.500111.2
244M26Very low27.4Very low154 Ų154131 Ų13176%0.75973%0.725SS**  cis-125.21610.5-66.7175.8174.200110.4P246M244-P246 WeakPolarHBondContact O-CD 3.49Å
245N29.9Very low27.4Very low175 Ų175134 Ų13494%0.93673%0.729SS**  trans-91.3117.5155.5-139.730.3000106.7
246P27.3Very low27.3Very low90 Ų90129.8 Ų129.858%0.58471%0.709SS**  trans-112.7123.917422.2-3.1000111.9M244M244-P246 WeakPolarHBondContact O-CD 3.49Å
247M27.9Very low27.4Very low136 Ų136132.8 Ų132.867%0.6772%0.717SS**  trans47.5107.9139.5-56.8177.8-60.300116.5
248D30.1Very low27.4Very low139 Ų139134.6 Ų134.674%0.74372%0.718SS**  cis55.2108.845.5-1480.5000112.9
249Q26.8Very low27.5Very low129 Ų129136.1 Ų136.160%0.60373%0.725SS**  trans73.8155.5173.1-47.7-170.86.900120
250M25.6Very low27.2Very low107 Ų107132.4 Ų132.453%0.52772%0.722SS.*  trans67.7113173.9-58.9173.7-67.900114.9M269 P271M250-M269 WeakPolarHBondContact CE-O 3.37Å; M250-P271 HydrophobicContact CE-CB 4.33Å
251N27.8Very low26.9Very low146 Ų146130.5 Ų130.578%0.78172%0.719SS**  cis52.793.543.2-172.522.5000113.6
252L24.2Very low27.2Very low142 Ų142127.5 Ų127.574%0.74371%0.713SS**  trans-179.2149.6134.8-96.4160.3000111.5
253I26.2Very low27.3Very low128 Ų128130 Ų13066%0.65672%0.715SS**  trans57.5105.2148.2-65.9165.7000118.7
254S27.3Very low27.5Very low96 Ų96127.8 Ų127.867%0.67171%0.709SS**  20.2126.8125.5-40.30000119.6
255Q25.7Very low27.5Very low156 Ų156125.9 Ų125.973%0.72971%0.708SS**  -176.5162.7105.6-101.2156.4109.500115.1
256M25.2Very low27.3Very low90 Ų90125.2 Ų125.244%0.44371%0.705SS.*  trans52.2106.1152.4-68.2177.1-7300119
257N30.9Very low27.5Very low164 Ų164124.5 Ų124.588%0.87771%0.714SS**  -134.664.2107-101.4-47.8000111
258L26.9Very low27.4Very low143 Ų143126 Ų12675%0.74972%0.719SS**SBendtrans-55.4134.9143.1-93.6165000107.4G260L258-G260 PolarHBondContact O-N 2.83Å
259M27.1Very low27.3Very low201 Ų201126.9 Ų126.999%0.9972%0.721SS**THydrogen-bonded Turntrans-69.276.4171.8-164.5-168.4-49.800109
260G25.1Very low27.4Very low72 Ų72126.9 Ų126.974%0.74273%0.725SS**THydrogen-bonded Turntrans-154.9-4.3-161.100000117.6L258L258-G260 PolarHBondContact O-N 2.83Å
261G27.6Very low27.5Very low51 Ų51125.9 Ų125.953%0.52673%0.726SS.*  trans100.9145.8164.600000117
262P30.9Very low27.7Very low116 Ų116126.6 Ų126.675%0.75373%0.727SS**  trans58.5-164.2-177.825.1-36.1000114.3
263V28.1Very low28.1Very low115 Ų115128.5 Ų128.570%0.69773%0.732SS**  cis-135.4127.4-8.6-178.70000110.2
264N30.2Very low28.3Very low133 Ų133128.7 Ų128.771%0.71174%0.742SS**  trans-3.1124.2161.6-163.932.1000119.7
265P27.7Very low28.5Very low114 Ų114128 Ų12874%0.7475%0.75SS**  trans-86.2115.9172.333.4-31.5000112.8
266N25.4Very low28.7Very low161 Ų161127 Ų12786%0.86175%0.749SS**  trans-171.9131.8154.6-108.5-40.2000111.8
267G30.7Very low29.1Very low76 Ų76128.3 Ų128.378%0.78477%0.765SS**  trans170.389.3178.200000113.2
268Q27Very low28.9Very low167 Ų167127.9 Ų127.978%0.7876%0.763SS**  trans-73.8146.4179.8-57.5167-67.700111.9
269M27.6Very low29.1Very low157 Ų157124.7 Ų124.777%0.77376%0.764SS**  trans-156.5104.6158.7-116175.1-6700113.9M250M250-M269 WeakPolarHBondContact CE-O 3.37Å
270N28.4Very low29.1Very low130 Ų130123.6 Ų123.670%0.69576%0.756SS**  trans36.9115.6147.2-55.2-11.1000121.4
271P27.9Very low29.1Very low85 Ų85126.8 Ų126.855%0.55276%0.755SS**  trans-73.3156.6164.433.8-35.3000111.6M250M250-P271 HydrophobicContact CE-CB 4.33Å
272M32.5Very low29.1Very low161 Ų161131.4 Ų131.479%0.79377%0.768SS**  trans-134.2115.6-172.9-149.4173.6-62.700113.9
273E30.9Very low28.7Very low183 Ų183131.2 Ų131.286%0.85577%0.769SS**  trans34.2121.4163.8-61.6-165121.800122.6
274P31.4Very low28.6Very low132 Ų132134.9 Ų134.986%0.85778%0.781SS**  trans-85.9113.6168.233.5-31.6000113.1N276P274-N276 PolarHBondContact O-N 3.27Å; P274-N276 VanDerWaalsContact O-N 3.1Å
275G31.9Very low28.4Very low82 Ų82132.4 Ų132.485%0.84577%0.774SS**  trans-78.685.1-175.900000116.7
276N30.1Very low28.3Very low133 Ų133132 Ų13271%0.71176%0.762SS**  trans47.3107.8151.9-167.723.7000120.1P274P274-N276 PolarHBondContact O-N 3.27Å; P274-N276 VanDerWaalsContact O-N 3.1Å
277P32.4Very low28.4Very low119 Ų119132.3 Ų132.377%0.77376%0.762SS**  trans-8912917334.5-31.4000113.4
278N27.8Very low28.1Very low155 Ų155134.2 Ų134.283%0.82975%0.754SS**  trans-155.8114.7159.4-116.1-31.4000111.5
279G30Very low28.2Very low75 Ų75132.3 Ų132.377%0.77376%0.757SS**  trans164.459.5-170.700000113.1
280Q28.7Very low28.2Very low178 Ų178133.1 Ų133.183%0.83276%0.761SS**  trans-63.2157.1167.9-57173-45.200108.8
281I24.8Very low28.2Very low139 Ų139130 Ų13071%0.71376%0.759SS**  -160.7142.354.7-78178.9000110.9
282N26.3Very low28.2Very low149 Ų149135.8 Ų135.880%0.79778%0.779SS**  trans44.1118.5157.7-57.6-6.9000122.3
283S23.8Very low28Very low112 Ų112135.7 Ų135.778%0.78378%0.78SS**  trans-58.9150149.4-190000112.6
284M25.5Very low27.8Very low191 Ų191133.9 Ų133.994%0.94178%0.776SS**  trans-147.7123.5141.8-133.3-169.6-57.100110.7
285S25.5Very low27.7Very low82 Ų82138.6 Ų138.657%0.57378%0.777SS**  trans-101.3152.7-179.1-49.90000110.9
286Q25.8Very low27.6Very low104 Ų104139.8 Ų139.849%0.48677%0.77SS.*  trans59.8111166.2-55.1-177.122.600118
287I27.3Very low27.5Very low168 Ų168139.5 Ų139.586%0.86277%0.773SS**  trans-136.1121.2141.2-58.5-176.8000108.2
288N25.5Very low27.3Very low116 Ų116141.5 Ų141.562%0.6278%0.777SS**PPolyproline II helixtrans-86.5143176.3-67.3-20.7000111.4
289P28.4Very low27.5Very low128 Ų128138.2 Ų138.283%0.83176%0.764SS**PPolyproline II helixtrans-83.5124.7150.932.3-27.3000109.5
290M28.1Very low27.3Very low173 Ų173143.3 Ų143.385%0.85277%0.774SS**PPolyproline II helixtrans-74.4159.7-176.6-64.5-170.2-64.200113.2
291G27.7Very low27.3Very low65 Ų65138.4 Ų138.467%0.6777%0.771SS**PPolyproline II helixtrans-60.915816900000113I293G291-I293 PolarHBondContact O-N 2.93Å; G291-I293 VanDerWaalsContact O-N 3.12Å
292Q28.3Very low27.5Very low206 Ų206141 Ų14196%0.96378%0.78SS**  trans-67.6108.3-173.8-59.917832.200111.6
293I27.9Very low27.4Very low159 Ų159142.6 Ų142.682%0.81579%0.785SS**  trans-102.6127.6166.4-63.7-179.8000108.6G291G291-I293 PolarHBondContact O-N 2.93Å; G291-I293 VanDerWaalsContact O-N 3.12Å
294N26.4Very low27.7Very low145 Ų145145.2 Ų145.278%0.77579%0.79SS**  trans-73.3152-179.9-101.4-57.2000112.6
295R29.7Very low27.8Very low231 Ų231147.8 Ų147.887%0.87279%0.789SS**  trans78152.8162.3-72.1175.2178.6-89.2-3117.3
296P29.1Very low27.9Very low108 Ų108152.9 Ų152.970%0.70181%0.806SS**  -137.9172.8-126.745.1-29.2000117.9
297V27.7Very low28.1Very low126 Ų126157 Ų15776%0.76483%0.826SS**  trans56.5123161.3-142.40000120P299V297-P299 HydrophobicContact CG1-CG 4.48Å
298N29.3Very low28.3Very low161 Ų161155.2 Ų155.286%0.86183%0.825SS**  -155.3128.4128.4-163.112.4000110.6
299P31.9Very low28.5Very low87 Ų87153.5 Ų153.557%0.56583%0.834SS**  trans-114.7127.4-177.635.6-21.5000113.8V297V297-P299 HydrophobicContact CG1-CG 4.48Å
300N25.2Very low28.6Very low181 Ų181154.6 Ų154.697%0.96883%0.833SS**  trans175.1138.6148.4-94.9-36.2000110.8
301G29.2Very low28.6Very low75 Ų75151.3 Ų151.377%0.77383%0.825SS**  trans173.642.8-177.100000118.2
302Q29.2Very low28.5Very low195 Ų195156.4 Ų156.491%0.91184%0.837SS**  trans15.6130.5164-66.4176.2-30.300121.5
303M24.8Very low28.5Very low182 Ų182149.9 Ų149.990%0.89782%0.824SS**  trans-68.9161.4172.5-60.3-172.4-67.700114.5
304N29.5Very low28.5Very low166 Ų166151.6 Ų151.689%0.88883%0.829SS**  trans-136.7163153.9-103.7-50.4000111.7
305R27.4Very low28.4Very low245 Ų245153.2 Ų153.293%0.92583%0.834SS**  trans-76159.7-160.6-66.7-178.2172.5-160.5-1.4116.1
306M28Very low28.3Very low189 Ų189149.4 Ų149.493%0.93183%0.831SS**  trans-96.1160.9157.9-67-178-77.100111.3
307E30.3Very low28.3Very low192 Ų192149.8 Ų149.890%0.89784%0.836SS**  trans-134.6148.6174.5-169163-139.100109.9
308P31.2Very low28.2Very low129 Ų129152.3 Ų152.384%0.83884%0.842SS**  trans-110.2153.6-156.639.7-33.5000117.3
309G29.8Very low28.1Very low80 Ų80150.4 Ų150.483%0.82584%0.841SS**  trans157.3149.6169.800000110
310N29.5Very low27.8Very low152 Ų152155 Ų15581%0.81386%0.855SS**  cis-150.1146.83.7178.869.1000108.3N312N310-N312 PolarHBondContact O-N 3.06Å
311P29.5Very low27.8Very low103 Ų103154.6 Ų154.667%0.66985%0.849SS**  trans-86.3113.6-171.832.2-32.6000113.3
312N25Very low27.8Very low173 Ų173158.3 Ų158.393%0.92585%0.852SS**  trans173.6118.3142.9-92.8-21.5000109.9N310N310-N312 PolarHBondContact O-N 3.06Å
313G29.1Very low27.8Very low68 Ų68156.7 Ų156.770%0.70185%0.848SS**SBendtrans156.1139.4179.100000111.6M315G313-M315 PolarHBondContact O-N 3.3Å; G313-M315 VanDerWaalsContact O-N 3.15Å
314Q26.9Very low28Very low195 Ų195157 Ų15791%0.91185%0.85SS**  trans-72.7105.4-176.3-67.6168.9-73.300111.1N316Q314-N316 PolarHBondContact O-N 2.88Å
315M23.9Very low28Very low179 Ų179161.1 Ų161.188%0.88285%0.853SS**  trans-86.993172.5-73.3-170.8171.600111.1G313 S317G313-M315 PolarHBondContact O-N 3.3Å; G313-M315 VanDerWaalsContact O-N 3.15Å; M315-S317 PolarHBondContact O-N 3.47Å
316N28.1Very low28.1Very low152 Ų152151.7 Ų151.781%0.81383%0.833SS**  trans-75.6102.8167.3-84.7-10.7000110.9Q314Q314-N316 PolarHBondContact O-N 2.88Å
317S29.5Very low28.4Very low116 Ų116149.3 Ų149.381%0.81183%0.831SS**  trans48.781.5146.2-51.10000118.6M315M315-S317 PolarHBondContact O-N 3.47Å
318M24.2Very low28.5Very low179 Ų179146.7 Ų146.788%0.88283%0.828SS**  trans-72.7123.3153.3-89.8-174.2-79.800110.6
319S28.3Very low28.5Very low121 Ų121146.7 Ų146.785%0.84682%0.821SS**  trans165.8101.8136.3-76.80000111.4
320Q25.8Very low28.5Very low182 Ų182148.7 Ų148.785%0.8582%0.819SS**  trans-87.7133155.6-67.7-173.121.700109
321M24.4Very low28.6Very low173 Ų173149 Ų14985%0.85282%0.821SS**  trans-150.487.9157.7-160.3176.8-65.700110L323M321-L323 PolarHBondContact O-N 2.81Å; M321-L323 VanDerWaalsContact O-N 3.08Å
322N30.2Very low28.7Very low153 Ų153147.2 Ų147.282%0.81882%0.821SS**  trans-69.5103.4178.1-83.2-36.2000110.5M324N322-M324 PolarHBondContact O-N 2.75Å
323L29.1Very low28.8Very low161 Ų161148.6 Ų148.684%0.84382%0.822SS**  trans-64.1127.4173.8-87.2155.7000111.1M321 R325M321-L323 PolarHBondContact O-N 2.81Å; M321-L323 VanDerWaalsContact O-N 3.08Å; L323-R325 PolarHBondContact O-N 3.02Å
324M28.5Very low28.8Very low188 Ų188153.7 Ų153.793%0.92683%0.83SS**  trans-63.5103.6-178.3-70.3166.458.400111.8N322 G326N322-M324 PolarHBondContact O-N 2.75Å; M324-G326 PolarHBondContact O-N 3.04Å
325R28.5Very low28.8Very low253 Ų253151 Ų15196%0.95582%0.822SS**  trans-88.690.3161.6-86.7-171170.2-129.72.6110.1L323L323-R325 PolarHBondContact O-N 3.02Å
326G30.4Very low29Very low48 Ų48150.5 Ų150.550%0.49582%0.819SS.*  trans-131151.9162.700000109.8M324 V328M324-G326 PolarHBondContact O-N 3.04Å; G326-V328 PolarHBondContact O-N 2.99Å
327P34.9Very low28.9Very low138 Ų138149.6 Ų149.690%0.89682%0.815SS**PPolyproline II helixtrans-67.3118.1179.227.5-33.4000110.6
328V31.5Very low28.8Very low138 Ų138149.9 Ų149.984%0.83682%0.816SS**PPolyproline II helixtrans-82.1126.7176.7-177.90000109.3G326G326-V328 PolarHBondContact O-N 2.99Å
329N32.6Very low28.9Very low129 Ų129152.1 Ų152.169%0.6982%0.816SS**PPolyproline II helixtrans-67.5126.5-176.5-171.2-6.6000111.2N331N329-N331 PolarHBondContact O-N 3.34Å
330P29.1Very low28.9Very low122 Ų122149.8 Ų149.879%0.79281%0.812SS**THydrogen-bonded Turntrans-64.2-6.5-166.3-27.436.4000118.8
331N31.3Very low28.9Very low158 Ų158150.1 Ų150.185%0.84581%0.814SS**THydrogen-bonded Turntrans-116.219-168.6-83.5-13.6000115.3N329N329-N331 PolarHBondContact O-N 3.34Å
332G31.8Very low29.1Very low66 Ų66150.7 Ų150.768%0.6882%0.816SS**  trans-99.8102.2179.900000114.4M334G332-M334 PolarHBondContact O-N 2.96Å
333Q27.4Very low29Very low201 Ų201150.2 Ų150.294%0.93981%0.814SS**  trans-66.9125.2167.7-72.2-176.8-22.100110.7
334M28Very low29Very low176 Ų176148.7 Ų148.787%0.86781%0.814SS**  trans-126.2130.5166.3-69.4-143.9-65.800111.2G332G332-M334 PolarHBondContact O-N 2.96Å
335N27.2Very low29.1Very low137 Ų137148.6 Ų148.673%0.73381%0.813SS**  trans-111.8129.5-176.2-179.86.6000109.2
336M28.7Very low29.2Very low169 Ų169145.5 Ų145.583%0.83381%0.809SS**  trans-129105.5-179.1-76.1-89.1-162.700108.9
337N26.4Very low29.2Very low134 Ų134149 Ų14972%0.71782%0.824SS**PPolyproline II helixtrans-89.1152.4175.8-86.2-28.5000112.1
338S26.1Very low29.2Very low121 Ų121154.5 Ų154.585%0.84683%0.826SS**PPolyproline II helixtrans-47.5139.3-167.5-46.50000117.4
339Y27.1Very low29.2Very low226 Ų226155.5 Ų155.589%0.88683%0.827SS**PPolyproline II helixtrans-91.7152.5158.4-85.9-89.5000111.6
340G28.9Very low29.3Very low73 Ų73154.3 Ų154.375%0.75383%0.826SS**PPolyproline II helixtrans-78.2171.9-174.100000115.6
341Q25.2Very low29.3Very low189 Ų189156.9 Ų156.988%0.88383%0.833SS**PPolyproline II helixtrans-66.3151.9-174.7-58.4173.74.200113.6
342M28.3Very low29.2Very low185 Ų185152.5 Ų152.591%0.91183%0.826SS**  trans-133146.5159.3-76.8-166.6-77.800110.4
343N28.7Very low29.2Very low143 Ų143159 Ų15977%0.76584%0.838SS**  trans-82.4156.3-170.1-72.6-25.6000113.2
344P27.8Very low29.1Very low129 Ų129158.1 Ų158.184%0.83884%0.837SS**  trans-69.6160.5177.430.5-36.8000112.9
345M31Very low29.1Very low186 Ų186157.7 Ų157.792%0.91684%0.838SS**  trans-133.3141.7176.3-136.5177.5-6500110.1
346E31.7Very low29.2Very low188 Ų188155.6 Ų155.688%0.87984%0.84SS**  trans-80.3155.6-166.7-74.2-173136.700115.2
347P30Very low29Very low122 Ų122156.8 Ų156.879%0.79285%0.845SS**  trans-82.2157-175.534-37000114.1
348R33.6Very low29Very low253 Ų253155.6 Ų155.696%0.95585%0.848SS**  trans-133.5159.4163.1-84.2-167.8169-170.2-3.4112.5
349N32Very low29.2Very low159 Ų159157.3 Ų157.385%0.8584%0.842SS**  trans-70.7155.3-151.5-121.615.4000115.9
350P35.8Very low29Very low103 Ų103155.2 Ų155.267%0.66984%0.843SS**  trans-87.2144.2-179.935.4-33.6000112.9
351N28Very low29Very low176 Ų176158.4 Ų158.494%0.94184%0.842SS**  trans-171.999.2144.6-103-19.5000109.3
352G30.5Very low29.3Very low67 Ų67156.9 Ų156.969%0.69184%0.84SS**  trans175.5121.817900000110.1M354G352-M354 PolarHBondContact O-N 2.84Å
353Q30.1Very low29.2Very low202 Ų202157 Ų15794%0.94484%0.84SS**  trans-73.6107.4-176.5-67.5169.6-68.600110.3
354M25.5Very low29.1Very low183 Ų183162.2 Ų162.290%0.90185%0.849SS**  trans-96.7115166-67.8-172.3179.900109.3G352 A356G352-M354 PolarHBondContact O-N 2.84Å; M354-A356 PolarHBondContact O-N 3.48Å
355N29.2Very low29.2Very low166 Ų166158.3 Ų158.389%0.88883%0.832SS**PPolyproline II helixtrans-64.8130.9166.4-79.8-20.8000109.1
356A28.9Very low29.3Very low94 Ų94156.2 Ų156.278%0.77783%0.832SS**PPolyproline II helixtrans-70.2139.1-169.500000112.9M354M354-A356 PolarHBondContact O-N 3.48Å
357M24.5Very low29.3Very low193 Ų193153.7 Ų153.795%0.95183%0.83SS**PPolyproline II helixtrans-59.3138.3172.4-75.1173.1-96.400111.3
358S27Very low29.4Very low109 Ų109154.3 Ų154.376%0.76283%0.826SS**  trans-116.1131.7171.6-75.70000111.3
359Q28.8Very low29.3Very low158 Ų158147.9 Ų147.974%0.73882%0.817SS**  trans64.876.6164.4-54.8-174.729.800117.6N361Q359-N361 VanDerWaalsContact C-N 3.34Å; Q359-N361 PolarHBondContact O-N 3.41Å
360M23.3Very low29.3Very low182 Ų182147.7 Ų147.790%0.89782%0.816SS**  trans-6991151.5-177.4-172.2-65.500109.2L362M360-L362 PolarHBondContact O-N 2.89Å
361N29.1Very low29.2Very low139 Ų139145.8 Ų145.874%0.74382%0.816SS**  trans-72110.1-179.9-92.2-47.9000111.7Q359Q359-N361 VanDerWaalsContact C-N 3.34Å; Q359-N361 PolarHBondContact O-N 3.41Å
362L31Very low29.2Very low157 Ų157147 Ų14782%0.82282%0.815SS**  trans-61.3152.5176.4-82.3124.9000112.6M360 R364M360-L362 PolarHBondContact O-N 2.89Å; L362-R364 PolarHBondContact O-N 2.98Å
363M26.8Very low29.1Very low188 Ų188151.2 Ų151.293%0.92682%0.819SS**  trans-64.287.9-177.7-69.4169.758.500113G365M363-G365 PolarHBondContact O-N 3.49Å
364R27.3Very low29Very low253 Ų253147.9 Ų147.996%0.95581%0.808SS**  trans-80.591162.5-93.5-174172.3-115.51.3110.6L362L362-R364 PolarHBondContact O-N 2.98Å
365G28.7Very low29.2Very low47 Ų47147.2 Ų147.249%0.48580%0.804SS.*SBendtrans-136.5147.216000000108.9M363 V367M363-G365 PolarHBondContact O-N 3.49Å; G365-V367 PolarHBondContact O-N 3.04Å
366P33.3Very low29.1Very low141 Ų141145.8 Ų145.892%0.91680%0.797SS**  trans-68.2115.2-176.527.2-33.4000111
367V31.9Very low29.1Very low136 Ų136146.7 Ų146.782%0.82480%0.797SS**  trans-89.1127.6170.4-178.80000108.4G365G365-V367 PolarHBondContact O-N 3.04Å
368N33.1Very low29.1Very low135 Ų135145.1 Ų145.172%0.72278%0.782SS**  trans-73130.2-175.9-166.95000110.8N370N368-N370 VanDerWaalsContact C-N 3.27Å; N368-N370 PolarHBondContact O-N 3.49Å; N368-N370 VanDerWaalsContact O-N 3.08Å
369P31.7Very low29.2Very low118 Ų118143.6 Ų143.677%0.76678%0.784SS**THydrogen-bonded Turntrans-64.8-15.3-167.6-27.236.7000117.8
370N32Very low29.1Very low155 Ų155144.3 Ų144.383%0.82979%0.787SS**THydrogen-bonded Turntrans-103.623-163.8-73.20.2000115.6N368N368-N370 VanDerWaalsContact C-N 3.27Å; N368-N370 PolarHBondContact O-N 3.49Å; N368-N370 VanDerWaalsContact O-N 3.08Å
371G33Very low29.2Very low63 Ų63144.4 Ų144.465%0.64979%0.788SS**  trans-106.6101.7176.900000113.3M373G371-M373 PolarHBondContact O-N 3.41Å
372Q28.4Very low29.1Very low200 Ų200144.3 Ų144.394%0.93579%0.787SS**  trans-67.4123.6176.2-70.6-178.3-22.500111.7
373M28.3Very low28.9Very low156 Ų156142.7 Ų142.777%0.76879%0.786SS**  trans-122.2127163.1-70.9-149.4-65.100111G371G371-M373 PolarHBondContact O-N 3.41Å
374N28Very low29Very low132 Ų132142.6 Ų142.671%0.70679%0.786SS**  trans-92123.4-174.9-179.90.9000110.4
375M28.3Very low29.2Very low169 Ų169139.4 Ų139.483%0.83378%0.782SS**  trans-118111.2170.6-71.9-166.4-177.500110
376N27.2Very low29.2Very low136 Ų136143.1 Ų143.173%0.72780%0.797SS**  trans-95.9127.3179.4-94.1-30.1000112.7
377S28.6Very low29.1Very low113 Ų113148.1 Ų148.179%0.7980%0.798SS**  trans63.3107.2156.9-60.60000119.4
378Y25Very low29.1Very low160 Ų160148.9 Ų148.963%0.62780%0.797SS**PPolyproline II helixtrans-73.8139.9164.6-78.3-129.6000111.1
379G29.5Very low29.3Very low78 Ų78146.8 Ų146.880%0.80479%0.791SS**PPolyproline II helixtrans-100125.1159.900000110.2
380Q26Very low29.1Very low172 Ų172149.3 Ų149.380%0.80480%0.798SS**PPolyproline II helixtrans-82.4152-177.3-59.4179.99.200112.6
381M25.6Very low29Very low185 Ų185145.4 Ų145.491%0.91179%0.794SS**  trans-154.6166.9142.6-118.1-179.9-71.600111.7
382N26.9Very low28.8Very low136 Ų136152 Ų15273%0.72781%0.808SS**  trans-92.9159.2-148.8-69.5-29.2000115.9
383P27.8Very low28.6Very low123 Ų123150.9 Ų150.980%0.79981%0.805SS**  trans-72.5161.1172.932.2-37.2000113
384M29.1Very low28.6Very low187 Ų187151.9 Ų151.992%0.92181%0.814SS**  trans-132.5161169.9-93.9-175.4-83.300111.9
385E30.5Very low28.5Very low186 Ų186149.1 Ų149.187%0.86981%0.809SS**  trans-85.4154.1-151.9-57.5-179.7127.100116.2
386P29.1Very low28.4Very low125 Ų125149.8 Ų149.881%0.81281%0.812SS**  trans-85.7141172.834.3-33.9000113.2
387R31.7Very low28.4Very low246 Ų246147.7 Ų147.793%0.92881%0.808SS**  trans-138.482.8172.6-111.3-178.5177.7-173.60113.8
388N31.2Very low28.4Very low151 Ų151148.5 Ų148.581%0.80780%0.8SS**  31.7153.9125.6-130.528.4000120.9
389P38.1Very low28.3Very low91 Ų91148.3 Ų148.359%0.59181%0.806SS**  -134.3165-7239.7-25.3000113.3
390N26.7Very low28.2Very low171 Ų171149.6 Ų149.691%0.91480%0.795SS**  trans-176141.8142.6-100.8-28.1000110.8
391G30.2Very low28.2Very low73 Ų73146.6 Ų146.675%0.75379%0.79SS**SBendtrans100.964.9175.300000116.1
392Q28.8Very low28.1Very low201 Ų201145.5 Ų145.594%0.93979%0.785SS**  trans37.291.2158.1-67.7179.6-44.100118.3
393M24.1Very low28.2Very low178 Ų178142.7 Ų142.788%0.87779%0.788SS**  trans-86.4133.2151.4-63.1180-173.500109.6
394N28.3Very low28.1Very low177 Ų177144.2 Ų144.295%0.94779%0.785SS**  trans-93.2120.1149.2-89.9-12.4000107
395A27Very low27.8Very low74 Ų74142.3 Ų142.361%0.61278%0.775SS**  trans-123.5138.5-171.200000111.9
396M24.5Very low27.7Very low183 Ų183141.5 Ų141.590%0.90178%0.777SS**  trans165.2139.6153.5-93.9173.3-80.700107.9
397S28.7Very low27.6Very low92 Ų92140.8 Ų140.864%0.64378%0.775SS**  cis-149.9139.4-0.3-90.50000112.9
398Q27Very low27.3Very low129 Ų129137.6 Ų137.660%0.60377%0.773SS**  trans44.5112.1140.8-53.6-17716.600121.2
399M23.3Very low26.9Very low156 Ų156135 Ų13577%0.76877%0.765SS**  37.7141.2115.5-67.4179.3171.300120
400N27.1Very low26.2Very low106 Ų106138.6 Ų138.657%0.56777%0.774SS**  -150.7160.852.4-78.3-79.7000114.3
401P26.8Very low26.1Very low109 Ų109137 Ų13771%0.70876%0.762SS**  trans-85.2168.6172.336.4-36000114.1
402M24.1Very low25.9Very low161 Ų161140.5 Ų140.579%0.79376%0.764SS**  trans-12.8122.6175.3-64.5177.6-7000119
403G28.3Very low25.8Very low77 Ų77136.3 Ų136.379%0.79475%0.754SS**  trans-123.8152.1158.100000110.6
404Q26.2Very low25.9Very low156 Ų156134.9 Ų134.973%0.72975%0.747SS**  trans-89.4170.6-169.1-69.1178.8-600114.4
405M23.1Very low25.8Very low147 Ų147134.9 Ų134.972%0.72475%0.747SS**  trans-55.4154-178.4-53.9168.3-170.500114
406N27.1Very low25.7Very low168 Ų168139.1 Ų139.190%0.89876%0.755SS**  -159.3135.6127.4-98.8-37.2000110.6
407S27.6Very low25.8Very low110 Ų110138.5 Ų138.577%0.76975%0.751SS**  trans-108.9127.9177.9-57.20000110.8
408M24.8Very low25.7Very low180 Ų180141 Ų14189%0.88776%0.758SS**  trans-146114.2150.1-95.6176.4-78.400105.4
409C22.8Very low25.5Very low96 Ų96141.5 Ų141.565%0.64976%0.764SS**  83.9116.666.5-72.40000112.1
410E24.6Very low25.5Very low166 Ų166141.2 Ų141.278%0.77676%0.762SS**  trans69152.7148.2-62.5167.7143.700116
411M23.2Very low25.4Very low137 Ų137139.6 Ų139.668%0.67576%0.759SS**  cis-157.3144.4-4.1-128.8178.3-140.300108.9
412N26.4Very low25.6Very low147 Ų147142.6 Ų142.679%0.78676%0.764SS**  167.7148.9115.3-91.5-38.8000113.6
413P27.2Very low25.7Very low113 Ų113141.2 Ų141.273%0.73476%0.758SS**  trans-101.7116.1172.835.5-27.1000112.4
414M25.6Very low25.7Very low148 Ų148144.1 Ų144.173%0.72976%0.755SS**  trans-151.292.6161.9-80.3-154.5-65.200112.3Q416 M417M414-Q416 PolarHBondContact O-N 2.85Å; M414-M417 HydrophobicContact CE-CE 4.01Å; M414-M417 HydrophobicContact SD-CE 4.43Å
415D26.6Very low25.6Very low178 Ų178143.3 Ų143.395%0.95276%0.755SS**  trans-78.252.5157.7-98.7-38.2000110.5
416Q25.9Very low25.7Very low163 Ų163145 Ų14576%0.76276%0.763SS**  trans-152.880.2166.9-77-15610.700111M414M414-Q416 PolarHBondContact O-N 2.85Å
417M26Very low25.7Very low169 Ų169140.6 Ų140.683%0.83376%0.758SS**  trans-157.2151.6141-123162.5-76.600112.8M414M414-M417 HydrophobicContact CE-CE 4.01Å; M414-M417 HydrophobicContact SD-CE 4.43Å
418N25.6Very low25.7Very low146 Ų146142.4 Ų142.478%0.78176%0.764SS**  trans-73.8160.9-170.5-113.7-40.1000113.6
419L23Very low26Very low138 Ų138139.3 Ų139.372%0.72376%0.757SS**  trans9.9131.1135.9-111.265.8000115.9
420M24.1Very low26.2Very low150 Ų150142 Ų14274%0.73977%0.77SS**  178.9161.955.6-169.6121.668.900111.7
421S25.6Very low26.4Very low72 Ų72140 Ų14050%0.50377%0.765SS.*  trans54.8109.4144.361.20000121.6
422H31.1Very low27Very low173 Ų173136.1 Ų136.180%0.80175%0.751SS**  149.898.5114-75.9-60.2000109.1
423I25.8Very low27Very low131 Ų131135.5 Ų135.567%0.67275%0.747SS**  63.491.159.4-51175.6000112.9
424N26.9Very low27.3Very low139 Ų139134 Ų13474%0.74375%0.752SS**  168.3112.1128-85.4-40.6000108.3
425L25Very low27.6Very low139 Ų139135.5 Ų135.573%0.72876%0.757SS**  85.3110.965.3-83.6171.5000115
426M24.5Very low27.9Very low181 Ų181135.2 Ų135.289%0.89275%0.754SS**  trans66.1121.1155.3-53.5-164.2-62.700120.1
427G28.5Very low28.1Very low77 Ų77134.5 Ų134.579%0.79476%0.755SS**  trans165.6111.3167.500000111.8
428V26.7Very low28.5Very low148 Ų148131.1 Ų131.190%0.89775%0.748SS**  trans-105.6168.4179-119.80000110.1
429P30.7Very low28.8Very low114 Ų114133.6 Ų133.674%0.7475%0.752SS**  -122.4163.2-114.439.8-24.9000115.5
430V27.2Very low29.2Very low152 Ų152133.3 Ų133.392%0.92176%0.756SS**  trans-140.6149.1166.2-164.50000110.4
431N29.2Very low29.8Very low124 Ų124131.7 Ų131.766%0.66376%0.757SS**  trans-124.8-172-167.1-150.428000110.4
432P35.7Very low30.1Very low57 Ų57135.6 Ų135.637%0.3778%0.777SS.*  -129.2-160.2-93.643.2-27.7000115.9
433N27.3Very low30.1Very low133 Ų133135 Ų13571%0.71178%0.779SS**  trans100.3132.7152.3-77.4-6000121
434G32.6Very low30.6Very low81 Ų81133.9 Ų133.984%0.83578%0.781SS**  trans166.879.4171.700000113.7
435Q31.6Very low30.7Very low180 Ų180136.5 Ų136.584%0.84179%0.791SS**  trans-99.1147.1177.2-68.6-178.5-16.800113
436I33.2Very low31.1Very low173 Ų173139.5 Ų139.589%0.88780%0.798SS**  trans-141.7148151.3-57.8-174.4000110.4
437N29.4Very low31.6Very low148 Ų148136.6 Ų136.679%0.79179%0.793SS**  trans-77.9173.8-179.2-76.6-75.1000113.2
438S34.3Very low31.8Very low97 Ų97139.7 Ų139.768%0.67880%0.796SS**  cis179.7151.947.456.90000116.8
439K31.7Very low31.9Very low198 Ų198140 Ų14086%0.86179%0.793SS**  trans46134.2143.8-56.9175.6-178.9-179.50119.6
440V32.9Very low32Very low133 Ų133140.2 Ų140.281%0.80680%0.797SS**  -169152.666162.80000110.2
441P36.6Very low32Very low116 Ų116139.8 Ų139.875%0.75379%0.787SS**  trans-112.8163.3-175.941.1-33.5000117.1
442V32.1Very low32.1Very low153 Ų153143 Ų14393%0.92780%0.798SS**  trans-142.9165.5168.3-168.40000111.2
443N29.8Very low31.7Very low160 Ų160144.9 Ų144.986%0.85682%0.818SS**  trans-103.7174.3-155.1-111.9-1.4000117.4
444P36.3Very low31.9Very low109 Ų109148 Ų14871%0.70883%0.83SS**  trans-107.9-178-164.442.7-38.9000116.9
445M30.5Very low31.7Very low193 Ų193150.7 Ų150.795%0.95183%0.826SS**  trans-129.2177.7166.5-70.6-163.675.600113.3
446K33Very low31.6Very low202 Ų202149.3 Ų149.388%0.87882%0.824SS**  trans-117.5165.2-153.3-92.8-174.2175.4-177.80116.3
447P34.1Very low31.3Very low120 Ų120147.2 Ų147.278%0.77982%0.819SS**  trans-96174.9-173.239.6-38.2000115.1
448V33.6Very low31.3Very low143 Ų143145.1 Ų145.187%0.86782%0.822SS**  trans-136.9141.8172.1-175.60000110.6
449N27.9Very low31Very low153 Ų153148.8 Ų148.882%0.81883%0.828SS**  trans-116.5142.1175.4-79.5-27.9000111.6
450S32.8Very low30.9Very low119 Ų119148 Ų14883%0.83283%0.83SS**  trans-179.7128.5143-77.30000106.7
451M27.1Very low30.8Very low143 Ų143149.2 Ų149.270%0.70483%0.832SS**  cis73.295.242.3-172.6165.5166.100113.7
452E31.2Very low30.5Very low193 Ų193147.7 Ų147.790%0.90283%0.829SS**  -165.7167.3129-111.5167.9-164.700111
453A27Very low30.4Very low95 Ų95147.2 Ų147.279%0.78583%0.827SS**  trans-130.4141.2-176.200000110.5
454M32.5Very low30.4Very low198 Ų198143.4 Ų143.498%0.97583%0.825SS**  trans-137.7156.8164.3-100.9-174.1-77.200111.2
455N28.4Very low30.4Very low138 Ų138147.6 Ų147.674%0.73883%0.832SS**  trans-117.5140.4-165.3174.723.5000108.6
456L29.5Very low30.3Very low152 Ų152143.9 Ų143.980%0.79682%0.82SS**  177.3143.5129.5-95.9159.7000113.3
457T25.6Very low30.5Very low128 Ų128141.6 Ų141.679%0.78582%0.818SS**  trans-68.9141.1169.746.30000113.2
458A30Very low30.4Very low104 Ų104141.1 Ų141.186%0.8682%0.815SS**  trans-148.3149.9148.800000110.6
459Q28.7Very low30.5Very low174 Ų174142.8 Ų142.881%0.81382%0.815SS**  trans-82.4155.3-173.5-55.8157.36.400111.6
460M29.4Very low30.9Very low183 Ų183143.4 Ų143.490%0.90181%0.813SS**  -166.3165.6110-105.5-174.6-71.200112.6
461N30.9Very low30.9Very low158 Ų158142 Ų14285%0.84580%0.804SS**  trans-101.8-174.1-164.3-73.2-37.1000113.6
462A30.9Very low31.3Very low83 Ų83140.7 Ų140.769%0.68680%0.804SS**  trans95.386.9149.700000118.5
463T29Very low31.7Very low143 Ų143140 Ų14088%0.87780%0.801SS**  49103.6124.456.30000119.5
464G30.4Very low32.5Very low80 Ų80140.9 Ų140.983%0.82580%0.798SS**  trans-120.2119.4150.400000110.6
465K34.9Very low33Very low198 Ų198138.6 Ų138.686%0.86179%0.787SS**  trans-118.1109.6167.6-96-170.4175.4-1780109.9
466T29.2Very low33.6Very low114 Ų114138.1 Ų138.170%0.69978%0.784SS**  trans33.5108.3141.156.90000118.5
467N36.2Very low34.1Very low155 Ų155139.4 Ų139.483%0.82979%0.786SS**  -172.3137103.7-87.6-9.7000111.5
468P33.5Very low34.8Very low109 Ų109140 Ų14071%0.70878%0.78SS**  trans-104.3176.4168.339.5-32.4000112.7
469M35.6Very low35.6Very low178 Ų178142.9 Ų142.988%0.87778%0.775SS**  trans73.6139.9-179.5-56.8174.7-175.700115.4
470E35.6Very low36.3Very low166 Ų166138.9 Ų138.978%0.77677%0.765SS**  cis-161.5156.7-21.3-171.6158.9-178.900108.5
471S32.4Very low36.7Very low91 Ų91137.1 Ų137.164%0.63676%0.758SS**  trans9.2146.7157.1-51.20000121.3
472T36.8Very low37Very low114 Ų114137.2 Ų137.270%0.69976%0.758SS**  cis-165.3149.614.4-4.20000112.6
473E39.8Very low37.2Very low180 Ų180136.9 Ų136.984%0.84176%0.762SS**  trans66.8158.7147.3-80.1166.6-158.700122.2
474P44Very low37.8Very low112 Ų112135.9 Ų135.973%0.72776%0.761SS**  trans-121.3-164.5-157.945.2-32000113.7
475M41.3Very low38.4Very low150 Ų150138 Ų13874%0.73976%0.761SS**  trans175.1135.6130.1-82.2-100-70.400109.6
476D42.1Very low38.6Very low129 Ų129133.2 Ų133.269%0.6975%0.752SS**  trans50.3151.1147.9-44.7-22.7000120.2
477E40.2Very low39.1Very low178 Ų178136.1 Ų136.183%0.83276%0.757SS**  cis-153.3169.8-6.6-126.6-177.8166.500105.6
478E40.2Very low39.3Very low140 Ų140133.2 Ų133.265%0.65476%0.755SS**  cis-142.6-125.810.5-162.5-130.181.500110.4
479H47.4Very low39.8Very low166 Ų166133.8 Ų133.877%0.76976%0.759SS**  trans-147.8-162.8-165.4-84.4-77.8000109.9
480P43.2Very low40.3Very low90 Ų90130.8 Ų130.858%0.58475%0.752SS**  cis-133-167.7-49.528.7-8.2000114.6
481L37.8Very low40.6Very low145 Ų145131.3 Ų131.376%0.75976%0.76SS**  trans85.9146.2156.5-43.6-176.8000118
482L36.6Very low41Very low161 Ų161134.5 Ų134.584%0.84377%0.77SS**  cis-165.2150.9-17.3-110.3172.7000108.9
483G36Very low41.7Very low76 Ų76134.2 Ų134.278%0.78477%0.769SS**  trans144.1129.3163.800000116
484S41.4Very low41.7Very low121 Ų121131.8 Ų131.885%0.84677%0.769SS**  trans-110.2162.1-169.3-55.50000114.5
485P43.1Very low41Very low126 Ų126134.2 Ų134.282%0.81878%0.775SS**  trans-103.6169.2-175.340.1-35.9000115.3
486S38.8Very low40.6Very low97 Ų97133.3 Ų133.368%0.67878%0.779SS**  trans-163.4154.8157.5-145.10000116.5
487E39.1Very low40Very low174 Ų174135.1 Ų135.181%0.81379%0.785SS**  trans51.494.6148.4-71.8154.5126.700124.1
488A41.1Very low39.5Very low94 Ų94131.9 Ų131.978%0.77778%0.779SS**  10.4171.7108.400000122
489P43.7Very low39.1Very low122 Ų122132 Ų13279%0.79278%0.783SS**  cis-132.9-133.6-3.941.1-17.1000113.8
490P45.6Very low38.5Very low114 Ų114130.6 Ų130.674%0.7478%0.781SS**  trans-128.5-179.2-132.240.1-17.5000117.7
491L41.5Very low38.1Very low178 Ų178133.5 Ų133.593%0.93279%0.791SS**  trans-169.7158150-106.6161.5000112.2
492D41.7Very low37.8Very low158 Ų158134.3 Ų134.385%0.84580%0.796SS**  trans-110.7171.2-164.9-110-20.6000114.5
493P50.3Low37.6Very low107 Ų107134.2 Ų134.270%0.69580%0.796SS**  trans-99.8-171.6-154.941.1-41.8000116.1
494P39.7Very low37.6Very low129 Ų129138.5 Ų138.584%0.83880%0.801SS**  -131.3164.1128.738.8-31000115
495L30.3Very low37.2Very low163 Ų163139.9 Ų139.985%0.85380%0.799SS**  trans-77.8141.9-178.6-61.3138.8000113.4
496T33.8Very low36.8Very low132 Ų132139.7 Ų139.781%0.8180%0.797SS**  178.4123118.231.20000115.8
497M28.2Very low36.3Very low166 Ų166141.8 Ų141.882%0.81880%0.801SS**  trans36.7110.5145.7-54.2-61.8-65.900122.3
498P30.5Very low36.1Very low110 Ų110139.2 Ų139.271%0.71480%0.797SS**  -107.3162.1123.438.1-32.6000109.6
499I30.9Very low35.5Very low142 Ų142139.5 Ų139.573%0.72879%0.79SS**  cis77.5135.231.1-56.4-177.6000113.3
500D35.6Very low34.9Very low137 Ų137140 Ų14073%0.73379%0.791SS**  trans65.4120.5-171.3-56.6-35.6000113.9
501L33.4Very low34.1Very low152 Ų152144.3 Ų144.380%0.79679%0.794SS**  68.79365.4-71.4171.4000112.6
502D32.5Very low33.6Very low162 Ų162146.3 Ų146.387%0.86679%0.791SS**  -172.5177.3124.6-92-15.7000110.4
503D32.3Very low32.9Very low158 Ų158142.4 Ų142.485%0.84579%0.788SS**  trans-64.3134.1-165.6-61.2-65.1000116.1
504D36.6Very low31.9Very low167 Ų167141 Ų14189%0.89379%0.785SS**  trans-162128.3137-122.6-25000111.2
505L33.1Very low31.4Very low150 Ų150139.8 Ų139.879%0.78578%0.777SS**  trans-111.8111-171.9-168.384000112D507L505-D507 PolarHBondContact O-N 3.46Å
506P33.2Very low31.3Very low122 Ų122143.7 Ų143.779%0.79278%0.781SS**  trans-84.8111.1168.231.8-30.4000110.7
507D28.8Very low31.2Very low141 Ų141141.5 Ų141.575%0.75476%0.764SS**  trans-63.3160.3166.5-103.8-44.2000112.2L505L505-D507 PolarHBondContact O-N 3.46Å
508V34.5Very low31.4Very low120 Ų120142 Ų14273%0.72777%0.769SS**SBendtrans74.2113.7173.2-1660000116.8V510V508-V510 PolarHBondContact O-N 3.22Å
509P30Very low31.4Very low99 Ų99143.1 Ų143.164%0.64377%0.774SS**  trans-71.3129.4165.330.1-33000111Y511P509-Y511 HydrophobicContact CG-CE2 4.34Å; P509-Y511 PolarHBondContact O-N 3.47Å
510V30.3Very low31.6Very low132 Ų132143 Ų14380%0.877%0.768SS**  trans-71.494.9-178.5-178.50000111V508 Y512V508-V510 PolarHBondContact O-N 3.22Å; V510-Y512 PolarHBondContact O-N 2.89Å
511Y28.7Very low31.3Very low205 Ų205141.7 Ų141.780%0.80477%0.767SS**  trans-70.6119.6170.6-92.4-92.9000111.2P509 G513P509-Y511 HydrophobicContact CG-CE2 4.34Å; P509-Y511 PolarHBondContact O-N 3.47Å; Y511-G513 PolarHBondContact O-N 2.92Å
512Y31.7Very low31.4Very low221 Ų221139.6 Ų139.687%0.86776%0.756SS**  trans-59.7133.3165.3-82.3-97.6000110V510 A514V510-Y512 PolarHBondContact O-N 2.89Å; Y512-A514 PolarHBondContact O-N 3.32Å
513G26.9Very low31.9Very low76 Ų76135.6 Ų135.678%0.78474%0.738SS**  trans-72108.5-163.600000114.4Y511Y511-G513 PolarHBondContact O-N 2.92Å
514A28.5Very low32.1Very low76 Ų76133.1 Ų133.163%0.62873%0.73SS**  trans-60.7151.6160.300000110.9Y512 R516Y512-A514 PolarHBondContact O-N 3.32Å; A514-R516 PolarHBondContact O-N 3.42Å
515P28.8Very low32Very low105 Ų105131.9 Ų131.968%0.68271%0.714SS**  trans-58.2104.2-178.3-26.535.9000113.4D517P515-D517 PolarHBondContact O-N 2.88Å; P515-D517 VanDerWaalsContact O-N 3.11Å
516R28.2Very low32.3Very low245 Ų245126.2 Ų126.293%0.92569%0.686SS**  trans-77.590.5178.6-70.5-173.8176.6-163.8-0111.3A514A514-R516 PolarHBondContact O-N 3.42Å
517D32Very low32.4Very low85 Ų85125.4 Ų125.446%0.45567%0.671SS.*  trans-15121.1169.9-138.3-6.2000114.8P515 T519 K520P515-D517 PolarHBondContact O-N 2.88Å; P515-D517 VanDerWaalsContact O-N 3.11Å; D517-T519 PolarHBondContact O-N 3.47Å; D517-K520 VanDerWaalsContact CG-NZ 3.3Å; D517-K520 WeakPolarHBondContact OD1-CD 3.41Å; D517-K520 WeakPolarHBondContact OD1-CE 3.47Å; D517-K520 WeakPolarHBondContact OD1-CG 3.33Å; D517-K520 IonicContact OD1-NZ 2.66Å; D517-K520 PolarHBondContact OD1-NZ 2.97Å; D517-K520 WeakPolarHBondContact OD2-CE 3.3Å; D517-K520 IonicContact OD2-NZ 3.93Å; D517-K520 PolarHBondContact OD2-NZ 3.36Å
518L32.4Very low33Very low177 Ų177121.5 Ų121.593%0.92766%0.655SS**THydrogen-bonded Turntrans-79.36.4177.5-74.9166.2000113.9
519T31.1Very low33.2Very low134 Ų134118.1 Ų118.182%0.82263%0.633SS**THydrogen-bonded Turntrans-103.84.2179.552.40000113.4D517D517-T519 PolarHBondContact O-N 3.47Å
520K34.3Very low33.8Very low139 Ų139116.6 Ų116.660%0.60462%0.618SS**  trans-73.1136.2175.1-83.7175.5176.6159.60110.8D517D517-K520 VanDerWaalsContact CG-NZ 3.3Å; D517-K520 WeakPolarHBondContact OD1-CD 3.41Å; D517-K520 WeakPolarHBondContact OD1-CE 3.47Å; D517-K520 WeakPolarHBondContact OD1-CG 3.33Å; D517-K520 IonicContact OD1-NZ 2.66Å; D517-K520 PolarHBondContact OD1-NZ 2.97Å; D517-K520 WeakPolarHBondContact OD2-CE 3.3Å; D517-K520 IonicContact OD2-NZ 3.93Å; D517-K520 PolarHBondContact OD2-NZ 3.36Å
521P30.2Very low34.4Very low109 Ų109115.2 Ų115.271%0.70860%0.603SS**  trans-62.7166.5172.228.9-35.3000110.7T523P521-T523 PolarHBondContact O-N 2.91Å
522L35.1Very low34.8Very low109 Ų109107.4 Ų107.457%0.57158%0.581SS**  trans-44.2125.4169.1-69.1167.7000109.1V526 E527L522-V526 HydrophobicContact CB-CB 4.46Å; L522-V526 HydrophobicContact CD2-CB 4.44Å; L522-V526 HydrophobicContact CD2-CG1 4.05Å; L522-E527 HydrophobicContact CB-CG 4.46Å
523T43.8Very low35.2Very low78 Ų7898.4 Ų98.448%0.47955%0.551SS.*  trans-61.4150.7-177.258.70000109.5P521 Y525 V526 E527P521-T523 PolarHBondContact O-N 2.91Å; T523-Y525 CarbonylContact O-C 3.58Å; T523-Y525 PolarHBondContact O-N 3.39Å; T523-V526 PolarHBondContact O-N 2.89Å; T523-E527 PolarHBondContact O-N 3.47Å
524P36.7Very low35.7Very low106 Ų10697 Ų9769%0.68853%0.527SS*.Hα-helixtrans-54.2-22.2178-28.735.8000113.4S528P524-S528 VanDerWaalsContact O-CB 3.24Å; P524-S528 WeakPolarHBondContact O-CB 3.14Å; P524-S528 PolarHBondContact O-N 3.03Å; P524-S528 PolarHBondContact O-OG 3.24Å
525Y33.7Very low36.1Very low140 Ų140101.8 Ų101.855%0.54953%0.529SS..Hα-helixtrans-61.4-48.9169.3-174.5-113000112.7T523 S528 L529T523-Y525 CarbonylContact O-C 3.58Å; T523-Y525 PolarHBondContact O-N 3.39Å; Y525-S528 PolarHBondContact O-N 3.14Å; Y525-S528 PolarHBondContact O-OG 3.28Å; Y525-L529 HydrophobicContact CD1-CD1 3.95Å; Y525-L529 HydrophobicContact CE1-CD1 3.6Å; Y525-L529 HydrophobicContact CE1-CG 4.49Å; Y525-L529 WeakPolarHBondContact O-CG 3.39Å; Y525-L529 PolarHBondContact O-N 2.91Å
526V39.5Very low36.5Very low32 Ų32101.6 Ų101.619%0.19452%0.521CS..Hα-helixtrans-69.4-39.2179.5-175.10000111.4L522 T523 S528 L529 I530L522-V526 HydrophobicContact CB-CB 4.46Å; L522-V526 HydrophobicContact CD2-CB 4.44Å; L522-V526 HydrophobicContact CD2-CG1 4.05Å; T523-V526 PolarHBondContact O-N 2.89Å; V526-S528 VanDerWaalsContact C-N 3.31Å; V526-S528 PolarHBondContact O-N 3.05Å; V526-L529 PolarHBondContact O-N 3.19Å; V526-I530 HydrophobicContact CG1-CD1 4.13Å; V526-I530 WeakPolarHBondContact O-CG1 3.33Å; V526-I530 PolarHBondContact O-N 3.18Å
527E35.6Very low37Very low105 Ų10595.9 Ų95.949%0.49150%0.5SS..Hα-helixtrans-60.4-41.2170.4-65.9-166.7147.100111.8L522 T523 L529 I530 Q531L522-E527 HydrophobicContact CB-CG 4.46Å; T523-E527 PolarHBondContact O-N 3.47Å; E527-L529 VanDerWaalsContact C-N 3.32Å; E527-L529 PolarHBondContact O-N 3.17Å; E527-I530 PolarHBondContact O-N 3.36Å; E527-Q531 WeakPolarHBondContact O-CB 3.31Å; E527-Q531 WeakPolarHBondContact O-CG 3.47Å; E527-Q531 PolarHBondContact O-N 3.29Å
528S40.8Very low37.3Very low59 Ų59100.2 Ų100.241%0.41351%0.51SS..Hα-helixtrans-65-34.6176.280.20000112.7P524 Y525 V526 A532P524-S528 VanDerWaalsContact O-CB 3.24Å; P524-S528 WeakPolarHBondContact O-CB 3.14Å; P524-S528 PolarHBondContact O-N 3.03Å; P524-S528 PolarHBondContact O-OG 3.24Å; Y525-S528 PolarHBondContact O-N 3.14Å; Y525-S528 PolarHBondContact O-OG 3.28Å; V526-S528 VanDerWaalsContact C-N 3.31Å; V526-S528 PolarHBondContact O-N 3.05Å; S528-A532 WeakPolarHBondContact O-CB 3.22Å; S528-A532 PolarHBondContact O-N 3.37Å
529L39.7Very low37.6Very low49 Ų4994.2 Ų94.226%0.25748%0.478SS..Hα-helixtrans-70.4-41.4174.3-71.5172000111.9Y525 V526 E527 A532 S533 L582Y525-L529 HydrophobicContact CD1-CD1 3.95Å; Y525-L529 HydrophobicContact CE1-CD1 3.6Å; Y525-L529 HydrophobicContact CE1-CG 4.49Å; Y525-L529 WeakPolarHBondContact O-CG 3.39Å; Y525-L529 PolarHBondContact O-N 2.91Å; V526-L529 PolarHBondContact O-N 3.19Å; E527-L529 VanDerWaalsContact C-N 3.32Å; E527-L529 PolarHBondContact O-N 3.17Å; L529-A532 PolarHBondContact O-N 3.09Å; L529-S533 WeakPolarHBondContact O-CB 3.33Å; L529-S533 PolarHBondContact O-N 3.37Å; L529-L582 HydrophobicContact CD2-CD1 4.46Å; L529-L582 HydrophobicContact CD2-CD2 4.5Å
530I41.1Very low37.8Very low66 Ų6688.6 Ų88.634%0.33844%0.444SS..Hα-helixtrans-61.4-51.6173.8-67.8165.7000109.5V526 E527 A532 S533 V534V526-I530 HydrophobicContact CG1-CD1 4.13Å; V526-I530 WeakPolarHBondContact O-CG1 3.33Å; V526-I530 PolarHBondContact O-N 3.18Å; E527-I530 PolarHBondContact O-N 3.36Å; I530-A532 VanDerWaalsContact C-N 3.32Å; I530-A532 PolarHBondContact O-N 2.61Å; I530-S533 PolarHBondContact O-N 2.89Å; I530-S533 VanDerWaalsContact O-N 3.16Å; I530-S533 PolarHBondContact O-OG 3.3Å; I530-V534 WeakPolarHBondContact O-CG2 3.34Å; I530-V534 PolarHBondContact O-N 2.93Å
531Q42.8Very low37.9Very low103 Ų10386 Ų8648%0.48144%0.436SS..Hα-helixtrans-60.1-39.2176.1-72.8-167.432.400112.6E527 V534 R535E527-Q531 WeakPolarHBondContact O-CB 3.31Å; E527-Q531 WeakPolarHBondContact O-CG 3.47Å; E527-Q531 PolarHBondContact O-N 3.29Å; Q531-V534 PolarHBondContact O-N 3.12Å; Q531-R535 WeakPolarHBondContact O-CB 3.44Å; Q531-R535 VanDerWaalsContact O-CG 3.29Å; Q531-R535 WeakPolarHBondContact O-CG 3.31Å; Q531-R535 PolarHBondContact O-N 3.4Å
532A38.7Very low38.1Very low42 Ų4283.5 Ų83.535%0.34743%0.431SS..Hα-helixtrans-63.7-43.3175.400000111.4S528 L529 I530 V534 R535 L536S528-A532 WeakPolarHBondContact O-CB 3.22Å; S528-A532 PolarHBondContact O-N 3.37Å; L529-A532 PolarHBondContact O-N 3.09Å; I530-A532 VanDerWaalsContact C-N 3.32Å; I530-A532 PolarHBondContact O-N 2.61Å; A532-V534 PolarHBondContact O-N 3.2Å; A532-R535 PolarHBondContact O-N 2.84Å; A532-L536 VanDerWaalsContact O-CB 3.27Å; A532-L536 WeakPolarHBondContact O-CB 3.43Å; A532-L536 WeakPolarHBondContact O-CD1 3.42Å; A532-L536 WeakPolarHBondContact O-CG 3.43Å; A532-L536 PolarHBondContact O-N 3.38Å
533S38.4Very low38.2Very low32 Ų3281.9 Ų81.922%0.22442%0.422CS..Hα-helixtrans-61.9-41.5177.279.10000112.3L529 I530 L536 R537L529-S533 WeakPolarHBondContact O-CB 3.33Å; L529-S533 PolarHBondContact O-N 3.37Å; I530-S533 PolarHBondContact O-N 2.89Å; I530-S533 VanDerWaalsContact O-N 3.16Å; I530-S533 PolarHBondContact O-OG 3.3Å; S533-L536 PolarHBondContact O-N 2.84Å; S533-R537 WeakPolarHBondContact O-CG 3.43Å; S533-R537 PolarHBondContact O-N 3.47Å
534V39.4Very low37.7Very low47 Ų4785.9 Ų85.929%0.28544%0.441SS..Hα-helixtrans-68.8-45.6177.6172.80000111.3I530 Q531 A532 L536 R537 R538I530-V534 WeakPolarHBondContact O-CG2 3.34Å; I530-V534 PolarHBondContact O-N 2.93Å; Q531-V534 PolarHBondContact O-N 3.12Å; A532-V534 PolarHBondContact O-N 3.2Å; V534-L536 VanDerWaalsContact C-N 3.31Å; V534-L536 PolarHBondContact O-N 3.38Å; V534-R537 PolarHBondContact O-N 2.97Å; V534-R538 WeakPolarHBondContact O-CB 3.48Å; V534-R538 WeakPolarHBondContact O-CG 3.47Å; V534-R538 PolarHBondContact O-N 2.88Å
535R36.4Very low37.4Very low176 Ų17688.4 Ų88.466%0.66444%0.442SS*.Hα-helixtrans-63.2-37175.8-74.7179.5-175.7-167.64.3112.4Q531 A532 N539Q531-R535 WeakPolarHBondContact O-CB 3.44Å; Q531-R535 VanDerWaalsContact O-CG 3.29Å; Q531-R535 WeakPolarHBondContact O-CG 3.31Å; Q531-R535 PolarHBondContact O-N 3.4Å; A532-R535 PolarHBondContact O-N 2.84Å; R535-N539 PolarHBondContact O-N 3.25Å
536L36.7Very low37.4Very low100 Ų10089.2 Ų89.252%0.52445%0.454SS..Hα-helixtrans-65.2-53175.2-76.4167.2000110.2A532 S533 V534 R538 N539 R575A532-L536 VanDerWaalsContact O-CB 3.27Å; A532-L536 WeakPolarHBondContact O-CB 3.43Å; A532-L536 WeakPolarHBondContact O-CD1 3.42Å; A532-L536 WeakPolarHBondContact O-CG 3.43Å; A532-L536 PolarHBondContact O-N 3.38Å; S533-L536 PolarHBondContact O-N 2.84Å; V534-L536 VanDerWaalsContact C-N 3.31Å; V534-L536 PolarHBondContact O-N 3.38Å; L536-R538 PolarHBondContact O-N 3.37Å; L536-N539 CarbonylContact O-C 3.53Å; L536-N539 VanDerWaalsContact O-C 3.25Å; L536-N539 PolarHBondContact O-N 3.15Å; L536-N539 VanDerWaalsContact O-N 3.14Å; L536-R575 PolarHBondContact O-NH1 3.09Å; L536-R575 PolarHBondContact O-NH2 2.76Å
537R39Very low36.8Very low125 Ų12595.6 Ų95.647%0.47249%0.486SS..Hα-helixtrans-49.1-56.8175.3-76.1-167.9-128.6-176.50.6111.5S533 V534 N539 E555S533-R537 WeakPolarHBondContact O-CG 3.43Å; S533-R537 PolarHBondContact O-N 3.47Å; V534-R537 PolarHBondContact O-N 2.97Å; R537-N539 PolarHBondContact O-N 2.94Å; R537-N539 VanDerWaalsContact O-N 3.1Å; R537-E555 IonicContact NH1-OE1 3.57Å
538R37.4Very low36.7Very low176 Ų17695.3 Ų95.366%0.66450%0.496SS*.Hα-helixtrans-64-13.6-177.5-72.5-177.4167.6-177.6-6.4115.4V534 L536V534-R538 WeakPolarHBondContact O-CB 3.48Å; V534-R538 WeakPolarHBondContact O-CG 3.47Å; V534-R538 PolarHBondContact O-N 2.88Å; L536-R538 PolarHBondContact O-N 3.37Å
539N39.6Very low36.3Very low51 Ų51100 Ų10027%0.27352%0.517SS..  trans-146.388.2177.4-167-19.8000111.7R535 L536 R537 L541 G542 L543R535-N539 PolarHBondContact O-N 3.25Å; L536-N539 CarbonylContact O-C 3.53Å; L536-N539 VanDerWaalsContact O-C 3.25Å; L536-N539 PolarHBondContact O-N 3.15Å; L536-N539 VanDerWaalsContact O-N 3.14Å; R537-N539 PolarHBondContact O-N 2.94Å; R537-N539 VanDerWaalsContact O-N 3.1Å; N539-L541 VanDerWaalsContact C-N 3.26Å; N539-L541 PolarHBondContact O-N 2.82Å; N539-L541 PolarHBondContact OD1-N 3.39Å; N539-G542 WeakPolarHBondContact OD1-CA 3.42Å; N539-G542 PolarHBondContact OD1-N 3.1Å; N539-L543 PolarHBondContact ND2-N 3.48Å; N539-L543 PolarHBondContact ND2-O 3.16Å; N539-L543 PolarHBondContact OD1-N 2.91Å; N539-L543 VanDerWaalsContact OD1-N 3.1Å
540P35.4Very low36Very low16 Ų16102.5 Ų102.510%0.10454%0.538CS..THydrogen-bonded Turntrans-66.5-22.1-178.423.5-32.3000115.5F558 M572P540-F558 HydrophobicContact CG-CD2 4.43Å; P540-F558 HydrophobicContact CG-CE2 4.16Å; P540-M572 HydrophobicContact CB-CE 3.64Å; P540-M572 HydrophobicContact CG-CE 4.22Å
541L35.3Very low35.8Very low84 Ų84107 Ų10744%0.4456%0.563SS.*THydrogen-bonded Turntrans-110.6-2.4-172-61177.6000113.8N539 L543 F558 L571N539-L541 VanDerWaalsContact C-N 3.26Å; N539-L541 PolarHBondContact O-N 2.82Å; N539-L541 PolarHBondContact OD1-N 3.39Å; L541-L543 HydrophobicContact CB-CD1 3.75Å; L541-L543 HydrophobicContact CB-CG 3.75Å; L541-L543 HydrophobicContact CD1-CD1 3.8Å; L541-L543 HydrophobicContact CG-CD1 4.44Å; L541-L543 PolarHBondContact O-N 2.8Å; L541-F558 HydrophobicContact CD1-CE2 4.07Å; L541-F558 HydrophobicContact CD1-CZ 3.77Å; L541-L571 HydrophobicContact CD2-CD1 3.97Å
542G35.1Very low35.6Very low58 Ų58106.4 Ų106.460%0.59857%0.57SS**  trans64.721.3-175.100000113.8N539N539-G542 WeakPolarHBondContact OD1-CA 3.42Å; N539-G542 PolarHBondContact OD1-N 3.1Å
543L36.9Very low35.5Very low74 Ų74111.4 Ų111.439%0.38759%0.591SS.*  trans-79.7123.4-176.5-68.7171.7000110.1N539 L541 F545N539-L543 PolarHBondContact ND2-N 3.48Å; N539-L543 PolarHBondContact ND2-O 3.16Å; N539-L543 PolarHBondContact OD1-N 2.91Å; N539-L543 VanDerWaalsContact OD1-N 3.1Å; L541-L543 HydrophobicContact CB-CD1 3.75Å; L541-L543 HydrophobicContact CB-CG 3.75Å; L541-L543 HydrophobicContact CD1-CD1 3.8Å; L541-L543 HydrophobicContact CG-CD1 4.44Å; L541-L543 PolarHBondContact O-N 2.8Å; L543-F545 HydrophobicContact CB-CD2 3.83Å; L543-F545 HydrophobicContact CB-CE2 3.48Å; L543-F545 VanDerWaalsContact CB-CE2 3.48Å; L543-F545 HydrophobicContact CB-CZ 4.09Å; L543-F545 HydrophobicContact CD1-CE2 3.65Å; L543-F545 HydrophobicContact CD1-CZ 3.8Å; L543-F545 HydrophobicContact CG-CE2 4.21Å; L543-F545 PolarHBondContact O-N 3.1Å
544N33.2Very low35.5Very low162 Ų162114.9 Ų114.987%0.86661%0.607SS**  trans-74.774.5175.9-68.8-29.1000110.5
545F31.2Very low35.5Very low160 Ų160118.7 Ų118.770%0.70262%0.622SS**  trans-70.4144.5166.1-68.8-65.5000110.2L543L543-F545 HydrophobicContact CB-CD2 3.83Å; L543-F545 HydrophobicContact CB-CE2 3.48Å; L543-F545 VanDerWaalsContact CB-CE2 3.48Å; L543-F545 HydrophobicContact CB-CZ 4.09Å; L543-F545 HydrophobicContact CD1-CE2 3.65Å; L543-F545 HydrophobicContact CD1-CZ 3.8Å; L543-F545 HydrophobicContact CG-CE2 4.21Å; L543-F545 PolarHBondContact O-N 3.1Å
546I33.4Very low36.2Very low157 Ų157113 Ų11381%0.80560%0.604SS**  trans-73.2147-167.5-65.9161.1000109.7S548I546-S548 PolarHBondContact O-N 2.98Å; I546-S548 VanDerWaalsContact O-N 3.11Å
547N27.4Very low36.9Very low165 Ų165111.8 Ų111.888%0.88260%0.601SS**  trans-58.1115.5177-54.3-49.2000110.5
548S32.1Very low37.3Very low100 Ų100107 Ų10770%0.69958%0.584SS**  trans-141.4100.8163.659.50000108.4I546I546-S548 PolarHBondContact O-N 2.98Å; I546-S548 VanDerWaalsContact O-N 3.11Å
549D34Very low37.7Very low157 Ų157101.4 Ų101.484%0.8458%0.575SS**  trans46.7140.5155.8-52.8-27.1000121.1
550S32.5Very low38Very low101 Ų101105.1 Ų105.171%0.70660%0.595SS**SBendtrans-66.1176.2-179.7-45.60000113.9
551D36Very low38.6Very low162 Ų162108.8 Ų108.887%0.86661%0.611SS**  trans8033.8157.1-44.5-24.9000117.3
552S39.6Very low39.3Very low90 Ų90111.8 Ų111.863%0.62963%0.633SS**  trans-125.7115.9154.458.50000112.3D554S552-D554 PolarHBondContact O-N 3.34Å; S552-D554 VanDerWaalsContact O-N 3.09Å
553D35.9Very low39.7Very low146 Ų146115.8 Ų115.878%0.78164%0.64SS**  trans-84.447.4174.8-73.1-53.2000112.1E555D553-E555 VanDerWaalsContact C-N 3.27Å; D553-E555 PolarHBondContact O-N 3.4Å
554D39Very low40.9Very low105 Ų105118.8 Ų118.856%0.56165%0.646SS**  trans-72.582.2169.4-85.27.8000109.1S552 N560S552-D554 PolarHBondContact O-N 3.34Å; S552-D554 VanDerWaalsContact O-N 3.09Å; D554-N560 PolarHBondContact OD2-ND2 3.46Å
555E39.6Very low42.2Very low127 Ų127113.7 Ų113.759%0.59362%0.622SS**  trans-54.9141160.5-83.2-77.4-163.800109.2R537 D553R537-E555 IonicContact NH1-OE1 3.57Å; D553-E555 VanDerWaalsContact C-N 3.27Å; D553-E555 PolarHBondContact O-N 3.4Å
556D50.9Low43.1Very low56 Ų56115 Ų11530%0.29963%0.634SS.*SBendtrans62.7100.2-171.9-125.1-8.9000115.5F558 A559 Y568D556-F558 PolarHBondContact O-N 3.32Å; D556-A559 HydrophobicContact CB-CB 3.74Å; D556-A559 PolarHBondContact O-N 3.2Å; D556-Y568 PolarHBondContact OD1-OH 3.14Å; D556-Y568 PolarHBondContact OD2-OH 2.92Å
557T50.5Low44.4Very low75 Ų75109.2 Ų109.246%0.4661%0.613SS.*THydrogen-bonded Turntrans-58.4-4.3172.3-29.60000114.2Q561T557-Q561 PolarHBondContact O-NE2 3.28Å
558F47.6Very low45.9Very low26 Ų26102.1 Ų102.111%0.11457%0.574CS.*THydrogen-bonded Turntrans-121.6-1.9177.4-68.1-86.2000114P540 L541 D556 N560 Q561 P565 Y568P540-F558 HydrophobicContact CG-CD2 4.43Å; P540-F558 HydrophobicContact CG-CE2 4.16Å; L541-F558 HydrophobicContact CD1-CE2 4.07Å; L541-F558 HydrophobicContact CD1-CZ 3.77Å; D556-F558 PolarHBondContact O-N 3.32Å; F558-N560 VanDerWaalsContact C-N 3.31Å; F558-N560 PolarHBondContact O-N 3.42Å; F558-Q561 HydrophobicContact CD1-CB 4.47Å; F558-Q561 VanDerWaalsContact CD1-CD 3.46Å; F558-Q561 HydrophobicContact CD1-CG 4.41Å; F558-Q561 VanDerWaalsContact CD1-NE2 3.26Å; F558-Q561 PolarHBondContact O-N 2.98Å; F558-Q561 VanDerWaalsContact O-N 3.07Å; F558-P565 HydrophobicContact CD1-CG 3.9Å; F558-P565 HydrophobicContact CE1-CG 3.47Å; F558-P565 VanDerWaalsContact CE1-CG 3.47Å; F558-P565 HydrophobicContact CZ-CG 4.03Å; F558-Y568 HydrophobicContact CB-CD2 4.39Å; F558-Y568 HydrophobicContact CB-CE2 3.8Å; F558-Y568 HydrophobicContact CD2-CD2 4.19Å; F558-Y568 AromaticContact CD2-CE2 3.82Å; F558-Y568 HydrophobicContact CD2-CE2 3.82Å; F558-Y568 HydrophobicContact CG-CD2 4.25Å; F558-Y568 AromaticContact CG-CE2 3.97Å; F558-Y568 HydrophobicContact CG-CE2 3.97Å
559A46.9Very low47.3Very low57 Ų57102 Ų10247%0.47156%0.563SS.*THydrogen-bonded Turntrans-62.2-40.4176.500000111.8D556 Q561D556-A559 HydrophobicContact CB-CB 3.74Å; D556-A559 PolarHBondContact O-N 3.2Å; A559-Q561 PolarHBondContact O-N 2.88Å
560N46.3Very low48.5Very low129 Ų129101.7 Ų101.769%0.6956%0.558SS**THydrogen-bonded Turntrans-80.78.1176.2-69-29.7000113.5D554 F558D554-N560 PolarHBondContact OD2-ND2 3.46Å; F558-N560 VanDerWaalsContact C-N 3.31Å; F558-N560 PolarHBondContact O-N 3.42Å
561Q47.5Very low49.7Very low93 Ų93100.9 Ų100.944%0.43555%0.545SS..  trans-108.8120.7174.4-62.5-17647.400110.5T557 F558 A559 L563T557-Q561 PolarHBondContact O-NE2 3.28Å; F558-Q561 HydrophobicContact CD1-CB 4.47Å; F558-Q561 VanDerWaalsContact CD1-CD 3.46Å; F558-Q561 HydrophobicContact CD1-CG 4.41Å; F558-Q561 VanDerWaalsContact CD1-NE2 3.26Å; F558-Q561 PolarHBondContact O-N 2.98Å; F558-Q561 VanDerWaalsContact O-N 3.07Å; A559-Q561 PolarHBondContact O-N 2.88Å; Q561-L563 PolarHBondContact O-N 3.47Å
562T49.1Very low50.9Low148 Ų14895.3 Ų95.391%0.90851%0.514SS*.SBendtrans-65.6-7.6177.247.40000114.3
563L44Very low51.8Low142 Ų14293 Ų9374%0.74350%0.501SS*.SBendtrans-127.8101-179.8-64.4174.6000110.2Q561Q561-L563 PolarHBondContact O-N 3.47Å
564R61.5Low52.7Low136 Ų13694.4 Ų94.451%0.51350%0.495SS..PPolyproline II helixtrans-68.5132.8169.2-67.3-177.6176.1-166.4-6.2109.7Y568 E569R564-Y568 HydrophobicContact CB-CD1 4.24Å; R564-Y568 HydrophobicContact CB-CG 4.23Å; R564-Y568 HydrophobicContact CG-CD1 4.23Å; R564-Y568 HydrophobicContact CG-CE1 4.49Å; R564-E569 WeakPolarHBondContact CD-OE1 3.25Å; R564-E569 IonicContact CZ-OE1 3.09Å; R564-E569 IonicContact NE-OE1 3.56Å; R564-E569 IonicContact NH1-OE1 3.66Å; R564-E569 PolarHBondContact NH1-OE1 3.43Å; R564-E569 IonicContact NH1-OE2 2.61Å
565P61.6Low53.1Low56 Ų5692.2 Ų92.236%0.36448%0.479SS..PPolyproline II helixtrans-57.9149.6177.5-27.134.5000113.6F558 G567 Y568F558-P565 HydrophobicContact CD1-CG 3.9Å; F558-P565 HydrophobicContact CE1-CG 3.47Å; F558-P565 VanDerWaalsContact CE1-CG 3.47Å; F558-P565 HydrophobicContact CZ-CG 4.03Å; P565-G567 PolarHBondContact O-N 2.76Å; P565-G567 VanDerWaalsContact O-N 3.13Å; P565-Y568 WeakPolarHBondContact O-CB 3.36Å; P565-Y568 PolarHBondContact O-N 3.27Å
566I49.9Very low54Low187 Ų18791.4 Ų91.496%0.95948%0.475SS*.THydrogen-bonded Turntrans-58.1121.2173.8-61.6176.4000109
567G61.6Low54Low35 Ų3593.2 Ų93.236%0.36149%0.485SS..THydrogen-bonded Turntrans89.11.8-177.200000115.5P565 E569 M570 L571P565-G567 PolarHBondContact O-N 2.76Å; P565-G567 VanDerWaalsContact O-N 3.13Å; G567-E569 PolarHBondContact O-N 2.76Å; G567-M570 WeakPolarHBondContact O-CB 3.4Å; G567-M570 PolarHBondContact O-N 3.49Å; G567-L571 PolarHBondContact O-N 3.46Å
568Y57.8Low54.2Low16 Ų1693.6 Ų93.66%0.06348%0.484CS..Hα-helixtrans-51.4-52.2175.4173.2-85.7000112.1D556 F558 R564 P565 M570 L571 M572D556-Y568 PolarHBondContact OD1-OH 3.14Å; D556-Y568 PolarHBondContact OD2-OH 2.92Å; F558-Y568 HydrophobicContact CB-CD2 4.39Å; F558-Y568 HydrophobicContact CB-CE2 3.8Å; F558-Y568 HydrophobicContact CD2-CD2 4.19Å; F558-Y568 AromaticContact CD2-CE2 3.82Å; F558-Y568 HydrophobicContact CD2-CE2 3.82Å; F558-Y568 HydrophobicContact CG-CD2 4.25Å; F558-Y568 AromaticContact CG-CE2 3.97Å; F558-Y568 HydrophobicContact CG-CE2 3.97Å; R564-Y568 HydrophobicContact CB-CD1 4.24Å; R564-Y568 HydrophobicContact CB-CG 4.23Å; R564-Y568 HydrophobicContact CG-CD1 4.23Å; R564-Y568 HydrophobicContact CG-CE1 4.49Å; P565-Y568 WeakPolarHBondContact O-CB 3.36Å; P565-Y568 PolarHBondContact O-N 3.27Å; Y568-M570 PolarHBondContact O-N 2.7Å; Y568-L571 WeakPolarHBondContact O-CB 3.28Å; Y568-L571 PolarHBondContact O-N 3.1Å; Y568-L571 VanDerWaalsContact O-N 3.1Å; Y568-M572 HydrophobicContact CD1-CG 4.32Å; Y568-M572 HydrophobicContact CD2-CE 3.8Å; Y568-M572 HydrophobicContact CE1-CE 4.46Å; Y568-M572 HydrophobicContact CE1-CG 3.88Å; Y568-M572 HydrophobicContact CE2-CE 3.36Å; Y568-M572 HydrophobicContact CE2-CG 4.42Å; Y568-M572 HydrophobicContact CG-CE 4.5Å; Y568-M572 WeakPolarHBondContact O-CG 3.36Å; Y568-M572 PolarHBondContact O-N 3.16Å
569E60.7Low54.3Low99 Ų9996 Ų9646%0.46350%0.498SS..Hα-helixtrans-58.2-36.4177.2-52.4-54.5147.600112.4R564 G567 M572 A573R564-E569 WeakPolarHBondContact CD-OE1 3.25Å; R564-E569 IonicContact CZ-OE1 3.09Å; R564-E569 IonicContact NE-OE1 3.56Å; R564-E569 IonicContact NH1-OE1 3.66Å; R564-E569 PolarHBondContact NH1-OE1 3.43Å; R564-E569 IonicContact NH1-OE2 2.61Å; G567-E569 PolarHBondContact O-N 2.76Å; E569-M572 PolarHBondContact O-N 2.75Å; E569-A573 VanDerWaalsContact O-CB 3.23Å; E569-A573 WeakPolarHBondContact O-CB 3.37Å; E569-A573 PolarHBondContact O-N 3.18Å
570M59.3Low54.3Low150 Ų15096.3 Ų96.374%0.73949%0.491SS*.Hα-helixtrans-74.9-30.3-179.2-159.6175.171.900111.9G567 Y568 R574G567-M570 WeakPolarHBondContact O-CB 3.4Å; G567-M570 PolarHBondContact O-N 3.49Å; Y568-M570 PolarHBondContact O-N 2.7Å; M570-R574 VanDerWaalsContact O-CB 3.31Å; M570-R574 WeakPolarHBondContact O-CB 3.02Å; M570-R574 PolarHBondContact O-N 2.76Å; M570-R574 VanDerWaalsContact O-N 3.09Å
571L58.8Low54.3Low84 Ų8494.9 Ų94.944%0.4448%0.48SS..Hα-helixtrans-69-44.9169.7-107.8159.4000111.2L541 G567 Y568 R574 R575L541-L571 HydrophobicContact CD2-CD1 3.97Å; G567-L571 PolarHBondContact O-N 3.46Å; Y568-L571 WeakPolarHBondContact O-CB 3.28Å; Y568-L571 PolarHBondContact O-N 3.1Å; Y568-L571 VanDerWaalsContact O-N 3.1Å; L571-R574 PolarHBondContact O-N 3.37Å; L571-R575 VanDerWaalsContact O-CB 3.28Å; L571-R575 WeakPolarHBondContact O-CB 3.48Å; L571-R575 PolarHBondContact O-N 3.48Å
572M60.9Low54.5Low44 Ų4493.8 Ų93.822%0.21748%0.477CS..Hα-helixtrans-67.4-45.5177.1-62.3-44.2153.100112.1P540 Y568 E569 R574 R575 H576P540-M572 HydrophobicContact CB-CE 3.64Å; P540-M572 HydrophobicContact CG-CE 4.22Å; Y568-M572 HydrophobicContact CD1-CG 4.32Å; Y568-M572 HydrophobicContact CD2-CE 3.8Å; Y568-M572 HydrophobicContact CE1-CE 4.46Å; Y568-M572 HydrophobicContact CE1-CG 3.88Å; Y568-M572 HydrophobicContact CE2-CE 3.36Å; Y568-M572 HydrophobicContact CE2-CG 4.42Å; Y568-M572 HydrophobicContact CG-CE 4.5Å; Y568-M572 WeakPolarHBondContact O-CG 3.36Å; Y568-M572 PolarHBondContact O-N 3.16Å; E569-M572 PolarHBondContact O-N 2.75Å; M572-R574 VanDerWaalsContact C-N 3.32Å; M572-R574 PolarHBondContact O-N 3.13Å; M572-R575 PolarHBondContact O-N 3.23Å; M572-H576 VanDerWaalsContact O-CB 3.25Å; M572-H576 WeakPolarHBondContact O-CB 3.3Å; M572-H576 PolarHBondContact O-N 2.97Å
573A58.3Low54.5Low42 Ų4290.6 Ų90.635%0.34745%0.454SS..Hα-helixtrans-59.7-41.3174.900000112E569 H576 N577E569-A573 VanDerWaalsContact O-CB 3.23Å; E569-A573 WeakPolarHBondContact O-CB 3.37Å; E569-A573 PolarHBondContact O-N 3.18Å; A573-H576 PolarHBondContact O-N 2.84Å; A573-N577 VanDerWaalsContact O-CG 3.23Å; A573-N577 PolarHBondContact O-N 3.41Å; A573-N577 PolarHBondContact O-ND2 3.24Å
574R55Low54.4Low176 Ų17685.8 Ų85.866%0.66443%0.432SS*.Hα-helixtrans-65.3-46.8175.5-172.9167.1-167.3146.911.5112M570 L571 M572 H576 N577 D578M570-R574 VanDerWaalsContact O-CB 3.31Å; M570-R574 WeakPolarHBondContact O-CB 3.02Å; M570-R574 PolarHBondContact O-N 2.76Å; M570-R574 VanDerWaalsContact O-N 3.09Å; L571-R574 PolarHBondContact O-N 3.37Å; M572-R574 VanDerWaalsContact C-N 3.32Å; M572-R574 PolarHBondContact O-N 3.13Å; R574-H576 VanDerWaalsContact C-N 3.3Å; R574-H576 PolarHBondContact O-N 3.33Å; R574-N577 WeakPolarHBondContact O-CB 3.36Å; R574-N577 PolarHBondContact O-N 3.22Å; R574-D578 PolarHBondContact O-N 2.86Å
575R48.2Very low53.8Low59 Ų5984.1 Ų84.122%0.22343%0.426CS..Hα-helixtrans-59.9-38.5175.8168.1176.7-77.1-156.8-16.3112.8L536 L571 M572 D578 N579L536-R575 PolarHBondContact O-NH1 3.09Å; L536-R575 PolarHBondContact O-NH2 2.76Å; L571-R575 VanDerWaalsContact O-CB 3.28Å; L571-R575 WeakPolarHBondContact O-CB 3.48Å; L571-R575 PolarHBondContact O-N 3.48Å; M572-R575 PolarHBondContact O-N 3.23Å; R575-D578 PolarHBondContact O-N 3.22Å; R575-N579 VanDerWaalsContact O-CB 3.31Å; R575-N579 WeakPolarHBondContact O-CB 3.46Å; R575-N579 PolarHBondContact O-N 3.14Å
576H57.2Low53.3Low110 Ų11084.3 Ų84.351%0.50942%0.421SS..Hα-helixtrans-63.6-45.3175.9-177.288.9000110.6M572 A573 R574 N579 I580M572-H576 VanDerWaalsContact O-CB 3.25Å; M572-H576 WeakPolarHBondContact O-CB 3.3Å; M572-H576 PolarHBondContact O-N 2.97Å; A573-H576 PolarHBondContact O-N 2.84Å; R574-H576 VanDerWaalsContact C-N 3.3Å; R574-H576 PolarHBondContact O-N 3.33Å; H576-N579 PolarHBondContact O-N 3.46Å; H576-I580 WeakPolarHBondContact NE2-CD1 3.1Å; H576-I580 WeakPolarHBondContact O-CG1 3.36Å; H576-I580 PolarHBondContact O-N 3.14Å
577N52.3Low53.1Low93 Ų9380.7 Ų80.750%0.49740%0.4SS..Hα-helixtrans-62.4-46.4173.3-67-26.5000112.4A573 R574 N579 I580 E581A573-N577 VanDerWaalsContact O-CG 3.23Å; A573-N577 PolarHBondContact O-N 3.41Å; A573-N577 PolarHBondContact O-ND2 3.24Å; R574-N577 WeakPolarHBondContact O-CB 3.36Å; R574-N577 PolarHBondContact O-N 3.22Å; N577-N579 PolarHBondContact O-N 3.15Å; N577-I580 PolarHBondContact O-N 3.04Å; N577-E581 WeakPolarHBondContact O-CB 3.43Å; N577-E581 PolarHBondContact O-N 2.81Å
578D53.4Low52.2Low83 Ų8383 Ų8344%0.44440%0.402SS..Hα-helixtrans-59.5-35.9177.3-63.3-20.5000111.1R574 R575 L582R574-D578 PolarHBondContact O-N 2.86Å; R575-D578 PolarHBondContact O-N 3.22Å; D578-L582 PolarHBondContact O-N 2.79Å; D578-L582 VanDerWaalsContact O-N 3.09Å
579N49.7Very low51.7Low76 Ų7687 Ų8741%0.40642%0.421SS..Hα-helixtrans-73-42.2176.3-169.535000112.7R575 H576 N577 E581 L582 I583R575-N579 VanDerWaalsContact O-CB 3.31Å; R575-N579 WeakPolarHBondContact O-CB 3.46Å; R575-N579 PolarHBondContact O-N 3.14Å; H576-N579 PolarHBondContact O-N 3.46Å; N577-N579 PolarHBondContact O-N 3.15Å; N579-E581 VanDerWaalsContact C-N 3.29Å; N579-E581 PolarHBondContact O-N 3.35Å; N579-L582 WeakPolarHBondContact O-CB 3.4Å; N579-L582 PolarHBondContact O-N 3.44Å; N579-I583 WeakPolarHBondContact O-CG1 3.29Å; N579-I583 PolarHBondContact O-N 3.23Å
580I48Very low51Low64 Ų6486 Ų8633%0.32842%0.416SS..Hα-helixtrans-59.9-41.5172.5-73.4170.6000110.6H576 N577 L582 I583 S584H576-I580 WeakPolarHBondContact NE2-CD1 3.1Å; H576-I580 WeakPolarHBondContact O-CG1 3.36Å; H576-I580 PolarHBondContact O-N 3.14Å; N577-I580 PolarHBondContact O-N 3.04Å; I580-L582 VanDerWaalsContact C-N 3.33Å; I580-L582 PolarHBondContact O-N 2.68Å; I580-I583 PolarHBondContact O-N 3.48Å; I580-S584 VanDerWaalsContact O-CB 3.29Å; I580-S584 WeakPolarHBondContact O-CB 3.42Å; I580-S584 PolarHBondContact O-N 3.28Å; I580-S584 PolarHBondContact O-OG 2.76Å
581E46.6Very low50.2Low100 Ų10081.9 Ų81.947%0.46740%0.399SS..Hα-helixtrans-64.2-38176.8-157.1-158.9-178.700111.5N577 N579 R585N577-E581 WeakPolarHBondContact O-CB 3.43Å; N577-E581 PolarHBondContact O-N 2.81Å; N579-E581 VanDerWaalsContact C-N 3.29Å; N579-E581 PolarHBondContact O-N 3.35Å; E581-R585 WeakPolarHBondContact O-CB 3.45Å; E581-R585 PolarHBondContact O-N 3.31Å; E581-R585 IonicContact OE1-CZ 3.72Å; E581-R585 IonicContact OE1-NH1 3.7Å; E581-R585 PolarHBondContact OE1-NH1 2.77Å; E581-R585 IonicContact OE1-NH2 3.83Å; E581-R585 IonicContact OE2-CZ 2.74Å; E581-R585 IonicContact OE2-NH1 2.69Å; E581-R585 PolarHBondContact OE2-NH1 3.27Å; E581-R585 IonicContact OE2-NH2 2.72Å; E581-R585 PolarHBondContact OE2-NH2 3.36Å
582L51.5Low49.5Very low70 Ų7080.8 Ų80.837%0.36640%0.396SS..Hα-helixtrans-65.8-47.1174.8-162.395.7000112.3L529 D578 N579 I580 S584 R585 H586L529-L582 HydrophobicContact CD2-CD1 4.46Å; L529-L582 HydrophobicContact CD2-CD2 4.5Å; D578-L582 PolarHBondContact O-N 2.79Å; D578-L582 VanDerWaalsContact O-N 3.09Å; N579-L582 WeakPolarHBondContact O-CB 3.4Å; N579-L582 PolarHBondContact O-N 3.44Å; I580-L582 VanDerWaalsContact C-N 3.33Å; I580-L582 PolarHBondContact O-N 2.68Å; L582-S584 VanDerWaalsContact C-N 3.3Å; L582-S584 PolarHBondContact O-N 2.75Å; L582-R585 PolarHBondContact O-N 3.35Å; L582-H586 PolarHBondContact O-N 3.44Å
583I47.8Very low48.8Very low81 Ų8183.4 Ų83.442%0.41541%0.41SS..Hα-helixtrans-63.6-37.9177.6-67165000110.8N579 I580 H586 H587N579-I583 WeakPolarHBondContact O-CG1 3.29Å; N579-I583 PolarHBondContact O-N 3.23Å; I580-I583 PolarHBondContact O-N 3.48Å; I583-H586 PolarHBondContact O-N 3.19Å; I583-H587 PolarHBondContact O-N 2.76Å; I583-H587 PolarHBondContact O-ND1 2.73Å
584S41.5Very low48.1Very low40 Ų4087.9 Ų87.928%0.2842%0.422SS..Hα-helixtrans-66.3-45.2176.1-58.50000111.7I580 L582 H586 H587 Q588I580-S584 VanDerWaalsContact O-CB 3.29Å; I580-S584 WeakPolarHBondContact O-CB 3.42Å; I580-S584 PolarHBondContact O-N 3.28Å; I580-S584 PolarHBondContact O-OG 2.76Å; L582-S584 VanDerWaalsContact C-N 3.3Å; L582-S584 PolarHBondContact O-N 2.75Å; S584-H586 VanDerWaalsContact C-N 3.34Å; S584-H586 PolarHBondContact O-N 3.49Å; S584-H587 PolarHBondContact O-N 3.09Å; S584-Q588 PolarHBondContact O-N 3.17Å
585R49.7Very low47.5Very low102 Ų10283.5 Ų83.539%0.38542%0.415SS..Hα-helixtrans-57.6-45.1172.6-84.3-174.1-77.8-105.3-5.4111.8E581 L582 H587 Q588 E589E581-R585 WeakPolarHBondContact O-CB 3.45Å; E581-R585 PolarHBondContact O-N 3.31Å; E581-R585 IonicContact OE1-CZ 3.72Å; E581-R585 IonicContact OE1-NH1 3.7Å; E581-R585 PolarHBondContact OE1-NH1 2.77Å; E581-R585 IonicContact OE1-NH2 3.83Å; E581-R585 IonicContact OE2-CZ 2.74Å; E581-R585 IonicContact OE2-NH1 2.69Å; E581-R585 PolarHBondContact OE2-NH1 3.27Å; E581-R585 IonicContact OE2-NH2 2.72Å; E581-R585 PolarHBondContact OE2-NH2 3.36Å; L582-R585 PolarHBondContact O-N 3.35Å; R585-H587 PolarHBondContact O-N 2.78Å; R585-Q588 WeakPolarHBondContact O-CB 3.48Å; R585-Q588 PolarHBondContact O-N 2.8Å; R585-E589 WeakPolarHBondContact O-CG 3.44Å; R585-E589 PolarHBondContact O-N 3.44Å
586H51.7Low47.1Very low60 Ų6089 Ų8928%0.27844%0.435SS..Hα-helixtrans-63.3-40.9178.8-169.262000112.6L582 I583 S584 Q588 E589 Q590L582-H586 PolarHBondContact O-N 3.44Å; I583-H586 PolarHBondContact O-N 3.19Å; S584-H586 VanDerWaalsContact C-N 3.34Å; S584-H586 PolarHBondContact O-N 3.49Å; H586-Q588 VanDerWaalsContact C-N 3.34Å; H586-Q588 PolarHBondContact O-N 3.21Å; H586-E589 IonicContact ND1-OE2 2.68Å; H586-E589 PolarHBondContact O-N 2.88Å; H586-Q590 PolarHBondContact CE1-NE2 3.4Å; H586-Q590 PolarHBondContact NE2-NE2 2.98Å; H586-Q590 VanDerWaalsContact O-CG 3.25Å; H586-Q590 WeakPolarHBondContact O-CG 3.46Å; H586-Q590 PolarHBondContact O-N 3.43Å
587H44.9Very low46.3Very low111 Ų11187.2 Ų87.251%0.51443%0.432SS..Hα-helixtrans-63.1-40173.6-79.582.1000112.3I583 S584 R585 Q590 V591I583-H587 PolarHBondContact O-N 2.76Å; I583-H587 PolarHBondContact O-ND1 2.73Å; S584-H587 PolarHBondContact O-N 3.09Å; R585-H587 PolarHBondContact O-N 2.78Å; H587-Q590 PolarHBondContact O-N 3.42Å; H587-V591 WeakPolarHBondContact O-CG2 3.43Å; H587-V591 PolarHBondContact O-N 2.79Å
588Q44Very low45.8Very low84 Ų8487.4 Ų87.439%0.39343%0.433SS..Hα-helixtrans-62-43.9174.8-172179.76.700111.7S584 R585 H586 Q590 V591 V592 F695S584-Q588 PolarHBondContact O-N 3.17Å; R585-Q588 WeakPolarHBondContact O-CB 3.48Å; R585-Q588 PolarHBondContact O-N 2.8Å; H586-Q588 VanDerWaalsContact C-N 3.34Å; H586-Q588 PolarHBondContact O-N 3.21Å; Q588-Q590 PolarHBondContact O-N 3.48Å; Q588-V591 PolarHBondContact O-N 2.95Å; Q588-V592 WeakPolarHBondContact O-CG2 3.2Å; Q588-V592 PolarHBondContact O-N 3.38Å; Q588-F695 HydrophobicContact CG-CZ 4.17Å
589E46.3Very low45.4Very low99 Ų9986.7 Ų86.746%0.46343%0.432SS..Hα-helixtrans-60-44.2174.7-72.4171.1171.700112R585 H586 V591 V592 L593R585-E589 WeakPolarHBondContact O-CG 3.44Å; R585-E589 PolarHBondContact O-N 3.44Å; H586-E589 IonicContact ND1-OE2 2.68Å; H586-E589 PolarHBondContact O-N 2.88Å; E589-V591 PolarHBondContact O-N 3.08Å; E589-V592 PolarHBondContact O-N 2.73Å; E589-L593 WeakPolarHBondContact O-CB 3.38Å; E589-L593 PolarHBondContact O-N 2.61Å
590Q45.5Very low45.1Very low79 Ų7986.5 Ų86.537%0.36943%0.434SS..Hα-helixtrans-64-38.5177.1-68.5-72.6-1.100112.6H586 H587 Q588 K594H586-Q590 PolarHBondContact CE1-NE2 3.4Å; H586-Q590 PolarHBondContact NE2-NE2 2.98Å; H586-Q590 VanDerWaalsContact O-CG 3.25Å; H586-Q590 WeakPolarHBondContact O-CG 3.46Å; H586-Q590 PolarHBondContact O-N 3.43Å; H587-Q590 PolarHBondContact O-N 3.42Å; Q588-Q590 PolarHBondContact O-N 3.48Å; Q590-K594 WeakPolarHBondContact O-CG 3.2Å; Q590-K594 PolarHBondContact O-N 3.3Å
591V42.3Very low44.8Very low62 Ų6286.4 Ų86.438%0.37644%0.436SS..Hα-helixtrans-67.8-45.7174.2173.10000110.8H587 Q588 E589 L593 K594 V595H587-V591 WeakPolarHBondContact O-CG2 3.43Å; H587-V591 PolarHBondContact O-N 2.79Å; Q588-V591 PolarHBondContact O-N 2.95Å; E589-V591 PolarHBondContact O-N 3.08Å; V591-L593 VanDerWaalsContact C-N 3.28Å; V591-L593 PolarHBondContact O-N 3.31Å; V591-K594 PolarHBondContact O-N 2.72Å; V591-V595 HydrophobicContact CG1-CG2 4.45Å; V591-V595 WeakPolarHBondContact O-CG2 3.44Å; V591-V595 PolarHBondContact O-N 3.05Å
592V44.9Very low44.8Very low62 Ų6285.7 Ų85.738%0.37643%0.429SS..Hα-helixtrans-60.4-37.9176.3169.80000111.6Q588 E589 V595 R596Q588-V592 WeakPolarHBondContact O-CG2 3.2Å; Q588-V592 PolarHBondContact O-N 3.38Å; E589-V592 PolarHBondContact O-N 2.73Å; V592-V595 PolarHBondContact O-N 2.93Å; V592-R596 WeakPolarHBondContact O-CB 3.3Å; V592-R596 WeakPolarHBondContact O-CG 3.22Å; V592-R596 PolarHBondContact O-N 3.41Å
593L46.2Very low44.6Very low99 Ų9988 Ų8852%0.51844%0.438SS..Hα-helixtrans-65.8-44.6175.3-174.163.9000112E589 V591 R596 T597E589-L593 WeakPolarHBondContact O-CB 3.38Å; E589-L593 PolarHBondContact O-N 2.61Å; V591-L593 VanDerWaalsContact C-N 3.28Å; V591-L593 PolarHBondContact O-N 3.31Å; L593-R596 PolarHBondContact O-N 3.07Å; L593-T597 PolarHBondContact O-N 3.05Å; L593-T597 PolarHBondContact O-OG1 3.49Å
594K43.4Very low44.7Very low136 Ų13688.9 Ų88.959%0.59145%0.447SS*.Hα-helixtrans-61.7-41.1174.8-75.4175.4-179.9-179.60112.5Q590 V591 T597 N598Q590-K594 WeakPolarHBondContact O-CG 3.2Å; Q590-K594 PolarHBondContact O-N 3.3Å; V591-K594 PolarHBondContact O-N 2.72Å; K594-T597 WeakPolarHBondContact CA-OG1 3.26Å; K594-T597 PolarHBondContact O-OG1 3.27Å; K594-N598 WeakPolarHBondContact O-CB 3.41Å; K594-N598 VanDerWaalsContact O-CG 3.29Å; K594-N598 PolarHBondContact O-N 3.13Å
595V42Very low44.9Very low84 Ų8492.8 Ų92.851%0.50946%0.456SS..Hα-helixtrans-63.7-48.8174.8172.10000110.5V591 V592 T597 N598 T599V591-V595 HydrophobicContact CG1-CG2 4.45Å; V591-V595 WeakPolarHBondContact O-CG2 3.44Å; V591-V595 PolarHBondContact O-N 3.05Å; V592-V595 PolarHBondContact O-N 2.93Å; V595-T597 PolarHBondContact O-N 3.22Å; V595-N598 PolarHBondContact O-N 3.01Å; V595-T599 PolarHBondContact O-N 3.08Å; V595-T599 PolarHBondContact O-OG1 3.28Å; V595-T599 VanDerWaalsContact O-OG1 3.11Å
596R40.1Very low44.8Very low174 Ų17497.1 Ų97.166%0.65747%0.473SS*.Hα-helixtrans-61.6-42.2179.2-75177178.7-164.60.3113.2V592 L593 T599 V600V592-R596 WeakPolarHBondContact O-CB 3.3Å; V592-R596 WeakPolarHBondContact O-CG 3.22Å; V592-R596 PolarHBondContact O-N 3.41Å; L593-R596 PolarHBondContact O-N 3.07Å; R596-T599 PolarHBondContact O-N 3.39Å; R596-V600 WeakPolarHBondContact O-CG2 3.14Å; R596-V600 PolarHBondContact O-N 3.29Å
597T41.6Very low44.6Very low72 Ų7299.2 Ų99.244%0.44249%0.494SS..Hα-helixtrans-64.8-41.8176.443.90000111.4L593 K594 V595 T599 V600 V601L593-T597 PolarHBondContact O-N 3.05Å; L593-T597 PolarHBondContact O-OG1 3.49Å; K594-T597 WeakPolarHBondContact CA-OG1 3.26Å; K594-T597 PolarHBondContact O-OG1 3.27Å; V595-T597 PolarHBondContact O-N 3.22Å; T597-T599 PolarHBondContact O-N 3.25Å; T597-V600 PolarHBondContact O-N 2.86Å; T597-V601 WeakPolarHBondContact O-CB 3.24Å; T597-V601 VanDerWaalsContact O-CG2 3.28Å; T597-V601 WeakPolarHBondContact O-CG2 3.2Å; T597-V601 PolarHBondContact O-N 3.37Å
598N41.3Very low44.7Very low98 Ų9896.9 Ų96.952%0.52449%0.486SS..Hα-helixtrans-61.7-39.9172.1-74.9-9.4000112.5K594 V595 V601 W602K594-N598 WeakPolarHBondContact O-CB 3.41Å; K594-N598 VanDerWaalsContact O-CG 3.29Å; K594-N598 PolarHBondContact O-N 3.13Å; V595-N598 PolarHBondContact O-N 3.01Å; N598-V601 PolarHBondContact O-N 2.74Å; N598-W602 WeakPolarHBondContact O-CB 3.35Å; N598-W602 PolarHBondContact O-N 2.85Å
599T44.2Very low45Very low68 Ų6898.7 Ų98.742%0.41751%0.508SS..Hα-helixtrans-60.6-50.2174.7-580000111.7V595 R596 T597 V601 W602 E603V595-T599 PolarHBondContact O-N 3.08Å; V595-T599 PolarHBondContact O-OG1 3.28Å; V595-T599 VanDerWaalsContact O-OG1 3.11Å; R596-T599 PolarHBondContact O-N 3.39Å; T597-T599 PolarHBondContact O-N 3.25Å; T599-V601 VanDerWaalsContact C-N 3.34Å; T599-V601 PolarHBondContact O-N 2.8Å; T599-W602 CarbonylContact O-C 3.57Å; T599-W602 WeakPolarHBondContact O-CA 3.49Å; T599-W602 PolarHBondContact O-N 2.89Å; T599-E603 HydrophobicContact CG2-CG 4.38Å; T599-E603 WeakPolarHBondContact O-CG 3.37Å; T599-E603 PolarHBondContact O-N 2.8Å
600V43Very low45.4Very low72 Ų7299.2 Ų99.244%0.43652%0.517SS..Hα-helixtrans-62.7-40.6179.9171.40000111.7R596 T597 W602 E603 T604R596-V600 WeakPolarHBondContact O-CG2 3.14Å; R596-V600 PolarHBondContact O-N 3.29Å; T597-V600 PolarHBondContact O-N 2.86Å; V600-W602 VanDerWaalsContact C-N 3.32Å; V600-W602 PolarHBondContact O-N 2.89Å; V600-E603 PolarHBondContact O-N 3.27Å; V600-T604 PolarHBondContact O-N 2.79Å; V600-T604 PolarHBondContact O-OG1 2.86Å
601V42.4Very low45.3Very low61 Ų6199 Ų9937%0.3752%0.519SS..Hα-helixtrans-60.8-42.5172.6167.70000110.5T597 N598 T599 T604 Y605T597-V601 WeakPolarHBondContact O-CB 3.24Å; T597-V601 VanDerWaalsContact O-CG2 3.28Å; T597-V601 WeakPolarHBondContact O-CG2 3.2Å; T597-V601 PolarHBondContact O-N 3.37Å; N598-V601 PolarHBondContact O-N 2.74Å; T599-V601 VanDerWaalsContact C-N 3.34Å; T599-V601 PolarHBondContact O-N 2.8Å; V601-T604 WeakPolarHBondContact O-CB 3.17Å; V601-T604 PolarHBondContact O-N 2.76Å; V601-Y605 HydrophobicContact CG1-CD2 3.65Å; V601-Y605 HydrophobicContact CG1-CE2 3.63Å; V601-Y605 VanDerWaalsContact O-CD2 3.26Å; V601-Y605 WeakPolarHBondContact O-CD2 3.26Å; V601-Y605 PolarHBondContact O-N 3.43Å
602W46.4Very low45.4Very low85 Ų8599.4 Ų99.432%0.32252%0.523SS..Hα-helixtrans-72.4-33.2178.3-132.888.7000113.8N598 T599 V600 T604 Y605 R606 I617N598-W602 WeakPolarHBondContact O-CB 3.35Å; N598-W602 PolarHBondContact O-N 2.85Å; T599-W602 CarbonylContact O-C 3.57Å; T599-W602 WeakPolarHBondContact O-CA 3.49Å; T599-W602 PolarHBondContact O-N 2.89Å; V600-W602 VanDerWaalsContact C-N 3.32Å; V600-W602 PolarHBondContact O-N 2.89Å; W602-T604 VanDerWaalsContact C-N 3.27Å; W602-T604 PolarHBondContact O-N 3.35Å; W602-Y605 PolarHBondContact O-N 3.26Å; W602-R606 HydrophobicContact CE3-CB 4.01Å; W602-R606 HydrophobicContact CE3-CG 4.37Å; W602-R606 HydrophobicContact CZ3-CB 4.01Å; W602-R606 HydrophobicContact CZ3-CG 3.96Å; W602-R606 WeakPolarHBondContact O-CB 3.44Å; W602-R606 PolarHBondContact O-N 2.88Å; W602-I617 HydrophobicContact CG-CG1 4.36Å
603E48.6Very low45.4Very low120 Ų120102.5 Ų102.556%0.56154%0.544SS*.Hα-helixtrans-64.9-34.9172.2-73.417316500111.4T599 V600 S607T599-E603 HydrophobicContact CG2-CG 4.38Å; T599-E603 WeakPolarHBondContact O-CG 3.37Å; T599-E603 PolarHBondContact O-N 2.8Å; V600-E603 PolarHBondContact O-N 3.27Å; E603-S607 PolarHBondContact O-OG 3.43Å
604T48.1Very low45Very low99 Ų99104.8 Ų104.861%0.60756%0.556SS**Hα-helixtrans-66.1-52.6172.3-510000110.5V600 V601 W602 R606 S607V600-T604 PolarHBondContact O-N 2.79Å; V600-T604 PolarHBondContact O-OG1 2.86Å; V601-T604 WeakPolarHBondContact O-CB 3.17Å; V601-T604 PolarHBondContact O-N 2.76Å; W602-T604 VanDerWaalsContact C-N 3.27Å; W602-T604 PolarHBondContact O-N 3.35Å; T604-R606 VanDerWaalsContact C-N 3.34Å; T604-R606 PolarHBondContact O-N 2.7Å; T604-S607 WeakPolarHBondContact O-CB 3.31Å; T604-S607 PolarHBondContact O-N 3.12Å
605Y47.3Very low44.8Very low122 Ų122102 Ų10248%0.47854%0.544SS..Hα-helixtrans-67.1-26.4178.6-80.9-60.5000114.4V601 W602 S607 D608 L611V601-Y605 HydrophobicContact CG1-CD2 3.65Å; V601-Y605 HydrophobicContact CG1-CE2 3.63Å; V601-Y605 VanDerWaalsContact O-CD2 3.26Å; V601-Y605 WeakPolarHBondContact O-CD2 3.26Å; V601-Y605 PolarHBondContact O-N 3.43Å; W602-Y605 PolarHBondContact O-N 3.26Å; Y605-S607 PolarHBondContact O-N 3.17Å; Y605-D608 VanDerWaalsContact O-CB 3.28Å; Y605-D608 WeakPolarHBondContact O-CB 3.29Å; Y605-D608 PolarHBondContact O-N 3.45Å; Y605-L611 HydrophobicContact CD1-CD1 4.27Å; Y605-L611 HydrophobicContact CG-CD1 4.45Å
606R45.7Very low44.5Very low192 Ų192102 Ų10273%0.72554%0.544SS*.THydrogen-bonded Turntrans-65.5-17.4175.2-165.9173.8-154.1136.96.7112.9W602 T604W602-R606 HydrophobicContact CE3-CB 4.01Å; W602-R606 HydrophobicContact CE3-CG 4.37Å; W602-R606 HydrophobicContact CZ3-CB 4.01Å; W602-R606 HydrophobicContact CZ3-CG 3.96Å; W602-R606 WeakPolarHBondContact O-CB 3.44Å; W602-R606 PolarHBondContact O-N 2.88Å; T604-R606 VanDerWaalsContact C-N 3.34Å; T604-R606 PolarHBondContact O-N 2.7Å
607S48Very low44Very low105 Ų10598.5 Ų98.573%0.73454%0.538SS*.THydrogen-bonded Turntrans-87.1-7.8173.4-48.80000113E603 T604 Y605E603-S607 PolarHBondContact O-OG 3.43Å; T604-S607 WeakPolarHBondContact O-CB 3.31Å; T604-S607 PolarHBondContact O-N 3.12Å; Y605-S607 PolarHBondContact O-N 3.17Å
608D47.9Very low43.5Very low62 Ų62103.6 Ų103.633%0.33255%0.549SS..  trans-89109.1179.6-172.3-16.4000110.6Y605 T610Y605-D608 VanDerWaalsContact O-CB 3.28Å; Y605-D608 WeakPolarHBondContact O-CB 3.29Å; Y605-D608 PolarHBondContact O-N 3.45Å; D608-T610 VanDerWaalsContact CG-OG1 3.28Å; D608-T610 PolarHBondContact O-N 3.14Å; D608-T610 VanDerWaalsContact OD1-CB 3.3Å; D608-T610 WeakPolarHBondContact OD1-CB 3.29Å; D608-T610 WeakPolarHBondContact OD1-CG2 3.28Å; D608-T610 PolarHBondContact OD1-N 3Å; D608-T610 PolarHBondContact OD1-OG1 2.82Å; D608-T610 PolarHBondContact OD2-OG1 3.11Å
609S50.8Low42.8Very low122 Ų122101 Ų10185%0.85354%0.539SS*.THydrogen-bonded Turntrans-75.3-2.2-179.954.90000114.4
610T53Low41.9Very low109 Ų109106.9 Ų106.967%0.66956%0.559SS**THydrogen-bonded Turntrans-81.6-14.717670.50000113.4D608D608-T610 VanDerWaalsContact CG-OG1 3.28Å; D608-T610 PolarHBondContact O-N 3.14Å; D608-T610 VanDerWaalsContact OD1-CB 3.3Å; D608-T610 WeakPolarHBondContact OD1-CB 3.29Å; D608-T610 WeakPolarHBondContact OD1-CG2 3.28Å; D608-T610 PolarHBondContact OD1-N 3Å; D608-T610 PolarHBondContact OD1-OG1 2.82Å; D608-T610 PolarHBondContact OD2-OG1 3.11Å
611L45.3Very low41.1Very low75 Ų75108.8 Ų108.839%0.39356%0.563SS.*SBendtrans-75.2123.9-179-71.7175.5000111.9Y605Y605-L611 HydrophobicContact CD1-CD1 4.27Å; Y605-L611 HydrophobicContact CG-CD1 4.45Å
612P42.4Very low40.3Very low71 Ų71116.9 Ų116.946%0.46159%0.587SS.*  trans-68142.917827.5-33.8000110.8N614 K615P612-N614 PolarHBondContact O-N 3.17Å; P612-K615 HydrophobicContact CG-CD 4.39Å; P612-K615 HydrophobicContact CG-CG 4.23Å; P612-K615 PolarHBondContact O-N 3.01Å
613P45.7Very low39.3Very low126 Ų126120.9 Ų120.982%0.81861%0.609SS**THydrogen-bonded Turntrans-66.70.5-161.125.4-36.6000116.4
614N38.8Very low38.3Very low147 Ų147121.9 Ų121.979%0.78662%0.618SS**THydrogen-bonded Turntrans-114.20.8-175.6-63.1-20.1000113.8P612P612-N614 PolarHBondContact O-N 3.17Å
615K37.7Very low37.3Very low77 Ų77122.7 Ų122.734%0.33563%0.625SS.*  trans-79.4129.6173.4-78.1-162.4177.5-169.70111P612 S619 E621P612-K615 HydrophobicContact CG-CD 4.39Å; P612-K615 HydrophobicContact CG-CG 4.23Å; P612-K615 PolarHBondContact O-N 3.01Å; K615-S619 VanDerWaalsContact CA-OG 3.28Å; K615-S619 WeakPolarHBondContact CA-OG 3.2Å; K615-S619 WeakPolarHBondContact CB-OG 3.2Å; K615-S619 WeakPolarHBondContact CG-OG 3.19Å; K615-E621 WeakPolarHBondContact CE-OE1 3.29Å; K615-E621 IonicContact NZ-OE1 3.17Å; K615-E621 PolarHBondContact NZ-OE1 2.95Å; K615-E621 IonicContact NZ-OE2 2.67Å; K615-E621 PolarHBondContact NZ-OE2 2.73Å
616T36.1Very low36.4Very low84 Ų84125.9 Ų125.952%0.51564%0.642SS.*  trans-115174.1176.563.40000109.7W618 S619T616-W618 PolarHBondContact O-N 2.86Å; T616-W618 PolarHBondContact OG1-N 3.11Å; T616-S619 PolarHBondContact N-OG 3.26Å; T616-S619 PolarHBondContact O-N 3.29Å; T616-S619 PolarHBondContact O-OG 3.36Å
617I30.7Very low35.6Very low102 Ų102121.9 Ų121.952%0.52364%0.64SS.*THydrogen-bonded Turntrans-51.1-24.9174.3-62.1166.2000112.4W602W602-I617 HydrophobicContact CG-CG1 4.36Å
618W29.4Very low34.6Very low178 Ų178128.4 Ų128.467%0.67465%0.649SS**THydrogen-bonded Turntrans-102.2-3.6-175-56.7103.3000114.6T616 F620 I702T616-W618 PolarHBondContact O-N 2.86Å; T616-W618 PolarHBondContact OG1-N 3.11Å; W618-F620 PolarHBondContact O-N 3.15Å; W618-I702 HydrophobicContact CH2-CG1 4.49Å; W618-I702 HydrophobicContact CH2-CG2 4.03Å; W618-I702 HydrophobicContact CZ2-CD1 3.76Å; W618-I702 HydrophobicContact CZ2-CG1 3.86Å; W618-I702 HydrophobicContact CZ2-CG2 4.22Å
619S27.6Very low33.9Very low44 Ų44132.7 Ų132.731%0.30867%0.667SS.*  trans-83.558.7171.563.60000111.1K615 T616 E621K615-S619 VanDerWaalsContact CA-OG 3.28Å; K615-S619 WeakPolarHBondContact CA-OG 3.2Å; K615-S619 WeakPolarHBondContact CB-OG 3.2Å; K615-S619 WeakPolarHBondContact CG-OG 3.19Å; T616-S619 PolarHBondContact N-OG 3.26Å; T616-S619 PolarHBondContact O-N 3.29Å; T616-S619 PolarHBondContact O-OG 3.36Å; S619-E621 PolarHBondContact O-N 3.33Å
620F25.9Very low33.1Very low192 Ų192133.1 Ų133.184%0.84266%0.664SS**  trans-69.4121.8159.9-139.7-86000106.8W618 R622W618-F620 PolarHBondContact O-N 3.15Å; F620-R622 PolarHBondContact O-N 3.2Å
621E25.4Very low32.1Very low111 Ų111133.8 Ų133.852%0.51967%0.668SS.*  trans-59.5103.8169.4-92.497.616600109K615 S619 H623K615-E621 WeakPolarHBondContact CE-OE1 3.29Å; K615-E621 IonicContact NZ-OE1 3.17Å; K615-E621 PolarHBondContact NZ-OE1 2.95Å; K615-E621 IonicContact NZ-OE2 2.67Å; K615-E621 PolarHBondContact NZ-OE2 2.73Å; S619-E621 PolarHBondContact O-N 3.33Å; E621-H623 PolarHBondContact O-N 3.06Å
622R25Very low31.5Very low232 Ų232136.1 Ų136.188%0.87569%0.687SS**  trans-6394.6150.5-78.5-166.9-75.3-159.1-4.4105.8F620 D624F620-R622 PolarHBondContact O-N 3.2Å; R622-D624 VanDerWaalsContact C-N 3.29Å; R622-D624 PolarHBondContact O-N 3.04Å
623H27.1Very low30.9Very low169 Ų169139.8 Ų139.878%0.78270%0.703SS**  trans-56.398.5165.3-80.8-81.8000107.5E621 P625E621-H623 PolarHBondContact O-N 3.06Å; H623-P625 VanDerWaalsContact O-CD 3.24Å; H623-P625 WeakPolarHBondContact O-CD 3.48Å; H623-P625 VanDerWaalsContact O-N 3.11Å
624D26Very low30.3Very low141 Ų141138.8 Ų138.875%0.75470%0.697SS**  trans-54.9118.4168.6-86.9-41.2000107.6R622 K626R622-D624 VanDerWaalsContact C-N 3.29Å; R622-D624 PolarHBondContact O-N 3.04Å; D624-K626 PolarHBondContact O-N 3.15Å
625P28.6Very low29.9Very low116 Ų116136.7 Ų136.775%0.75369%0.694SS**  trans-71.686.1173.929.8-32.2000107.1H623 P627H623-P625 VanDerWaalsContact O-CD 3.24Å; H623-P625 WeakPolarHBondContact O-CD 3.48Å; H623-P625 VanDerWaalsContact O-N 3.11Å; P625-P627 VanDerWaalsContact O-CD 3.29Å; P625-P627 WeakPolarHBondContact O-CD 3.43Å
626K27.5Very low29.6Very low189 Ų189138.6 Ų138.682%0.82271%0.712SS**  trans-38.8112.1179.5-79.4-176.8176.6177.90109.1D624 R628D624-K626 PolarHBondContact O-N 3.15Å; K626-R628 PolarHBondContact O-N 2.89Å
627P28.4Very low29.3Very low108 Ų108143.9 Ų143.970%0.70173%0.731SS**  trans-58.6116.9-176.4-27.235.5000109.6P625 H629P625-P627 VanDerWaalsContact O-CD 3.29Å; P625-P627 WeakPolarHBondContact O-CD 3.43Å; P627-H629 PolarHBondContact O-N 3.43Å
628R28.1Very low29.4Very low242 Ų242144.7 Ų144.791%0.91375%0.746SS**  trans-71.277.7170.4-93.5-169.8-88.1-169.2-6.6108.4K626 V630K626-R628 PolarHBondContact O-N 2.89Å; R628-V630 PolarHBondContact O-N 2.92Å; R628-V630 VanDerWaalsContact O-N 3.09Å
629H32.7Very low29.3Very low152 Ų152144 Ų14470%0.70476%0.755SS**  trans-63.8108.6170.6-106.3-75.8000108.7P627 T631P627-H629 PolarHBondContact O-N 3.43Å; H629-T631 PolarHBondContact O-N 2.8Å
630V33.6Very low29.6Very low131 Ų131146.9 Ų146.979%0.79477%0.773SS**  trans-69.1123.6175.7178.90000108.7R628R628-V630 PolarHBondContact O-N 2.92Å; R628-V630 VanDerWaalsContact O-N 3.09Å
631T32.1Very low29.8Very low122 Ų122143.5 Ų143.575%0.74877%0.768SS**  trans-73137.6178.9-3.10000111.5H629 N633H629-T631 PolarHBondContact O-N 2.8Å; T631-N633 PolarHBondContact O-N 2.93Å
632P32.7Very low29.9Very low124 Ų124145.2 Ų145.281%0.80578%0.779SS**  trans-67115.8156.3-15.230.6000109.4
633N28.9Very low30.1Very low149 Ų149139.2 Ų139.280%0.79777%0.773SS**  trans-71.2170.8165.9-133.712.8000109.4T631T631-N633 PolarHBondContact O-N 2.93Å
634P34.6Very low30.1Very low104 Ų104139.7 Ų139.768%0.67578%0.778SS**  cis-137.3169.10.341.8-25.7000116.4
635S29.7Very low30.1Very low104 Ų104138.7 Ų138.773%0.72778%0.779SS**  -168.9145.4127.8-84.10000113.2
636T30.9Very low30Very low116 Ų116138.1 Ų138.171%0.71278%0.777SS**  trans47.8107.5158.750.80000120.5
637Q30.9Very low29.9Very low195 Ų195136.8 Ų136.891%0.91178%0.779SS**  trans58.5136.4133.5-63.8165.2-3400119.3
638S31.8Very low29.9Very low120 Ų120137 Ų13784%0.83978%0.778SS**  cis-136.3170.312.751.60000112.9
639N27.7Very low29.7Very low162 Ų162131.9 Ų131.987%0.86677%0.774SS**  trans-95.8177.7-169.1-125.910.4000112.9
640P33.9Very low29.3Very low105 Ų105129.4 Ų129.468%0.68278%0.78SS**  trans-105.6-169.7-148.443.7-41.2000114
641T30.2Very low28.8Very low122 Ų122129.8 Ų129.875%0.74878%0.778SS**  trans-157.3124.1152-84.10000112.3
642I28.5Very low28.4Very low146 Ų146129.2 Ų129.275%0.74978%0.776SS**  trans22.2125.4135-24.4173.5000115.7
643S29Very low27.9Very low107 Ų107127.8 Ų127.875%0.74877%0.765SS**  -167.4163.858.6-50.30000114.3
644M26Very low27.7Very low179 Ų179130.6 Ų130.688%0.88277%0.766SS**  trans-128.5149.3159.4-78.6-174.9171.200109.9
645P26.7Very low27.1Very low119 Ų119136.8 Ų136.877%0.77378%0.776SS**  -126.6151.1128.536.2-28.4000110.8
646S25.3Very low26.8Very low104 Ų104137.7 Ų137.773%0.72777%0.771SS**  cis80.471.322.8-520000115.5
647N27.2Very low26.4Very low162 Ų162136.3 Ų136.387%0.86677%0.765SS**  trans-177.2147.9164.1-103.2-4.2000108.1
648V27.1Very low26Very low111 Ų111134 Ų13467%0.67376%0.758SS**  cis-138126.1-21.3170.50000109.3
649T25.1Very low25.5Very low136 Ų136133.2 Ų133.283%0.83475%0.745SS**  trans11.2108.9141-400000120.8
650A23.5Very low25.3Very low100 Ų100132.2 Ų132.283%0.82673%0.733SS**  trans-162.1132142.600000112.3
651D23Very low24.8Very low139 Ų139132.6 Ų132.674%0.74374%0.735SS**  trans-90.2173.1174.8-105.4-63.8000111.2T653D651-T653 PolarHBondContact OD1-N 3.48Å; D651-T653 PolarHBondContact OD1-OG1 3Å
652P23.8Very low24.5Very low109 Ų109134.6 Ų134.671%0.70874%0.738SS**  cis-131.4143.321.238.4-20.2000118.7
653T23.1Very low24.3Very low94 Ų94134.3 Ų134.358%0.57773%0.734SS**  27.3112.8120.8-530000118.7D651D651-T653 PolarHBondContact OD1-N 3.48Å; D651-T653 PolarHBondContact OD1-OG1 3Å
654Y23.5Very low24.1Very low209 Ų209134.8 Ų134.882%0.8273%0.727SS**  trans-14270.5139.4-94.9-60.8000112.3I656Y654-I656 HydrophobicContact CD1-CD1 3.84Å; Y654-I656 HydrophobicContact CD1-CG1 3.69Å; Y654-I656 HydrophobicContact CE1-CD1 4Å; Y654-I656 HydrophobicContact CE1-CG1 4.23Å
655W22.6Very low24Very low233 Ų233130.2 Ų130.288%0.88372%0.718SS**  trans-74.7116.6144-81.165.5000107.4
656I23.2Very low23.8Very low123 Ų123130.6 Ų130.663%0.63171%0.714SS**  trans-109.9103.7158.9-56.8-173.1000107.7Y654Y654-I656 HydrophobicContact CD1-CD1 3.84Å; Y654-I656 HydrophobicContact CD1-CG1 3.69Å; Y654-I656 HydrophobicContact CE1-CD1 4Å; Y654-I656 HydrophobicContact CE1-CG1 4.23Å
657P22.3Very low23.8Very low88 Ų88133.5 Ų133.557%0.57172%0.72SS**  trans-80.2138.3168.931.8-31.7000110.7
658N21.8Very low23.6Very low145 Ų145133 Ų13378%0.77571%0.712SS**SBendtrans56.9-161.8179.1-63.4-20.2000114.2
659N23.2Very low23.5Very low105 Ų105133.1 Ų133.156%0.56171%0.714SS**  trans76.3116.1152.7-65.1-9.1000117.3
660F22.5Very low23.4Very low141 Ų141133.3 Ų133.362%0.61871%0.709SS**  cis-145.3158.11.1-75.4-76.3000111.7
661P23.7Very low23.5Very low112 Ų112135.1 Ų135.173%0.72771%0.705SS**SBendtrans-58.1158.9151.831-35.9000109.8Q663P661-Q663 PolarHBondContact O-N 2.78Å
662M23.4Very low23.6Very low164 Ų164136.5 Ų136.581%0.80871%0.707SS**  trans-46125.3-170.8-70.7-148.7-54.600113.2L664M662-L664 PolarHBondContact O-N 2.63Å
663Q24.5Very low23.7Very low140 Ų140137.2 Ų137.265%0.65472%0.715SS**  trans-63.5103.6178.8-71.7-175.90.900110.5P661P661-Q663 PolarHBondContact O-N 2.78Å
664L24.2Very low23.9Very low117 Ų117137.1 Ų137.161%0.61372%0.724SS**  trans-127.832.7165.5-128.3175.8000110.3M662M662-L664 PolarHBondContact O-N 2.63Å
665A23.9Very low24.1Very low84 Ų84132.1 Ų132.169%0.69472%0.717SS**  trans-15168.6-178.200000110.6
666N23.6Very low24.3Very low127 Ų127129.7 Ų129.768%0.67972%0.715SS**  trans-146.538.3165.6-111.6-20.1000112.9
667L24Very low24.6Very low165 Ų165127.1 Ų127.186%0.86471%0.708SS**SBendtrans-109.397.4137.5-71.6169.1000104
668H24.2Very low25.1Very low150 Ų150131 Ų13169%0.69472%0.718SS**  71.2103.792.8-90.7-139.5000113.9
669T23.6Very low25.4Very low115 Ų115130.5 Ų130.571%0.70671%0.714SS**  trans63.6110.2143.557.20000120
670N24.4Very low25.6Very low139 Ų139132.5 Ų132.574%0.74372%0.72SS**  trans87.4115.3139-56.7-18.4000120
671N24.6Very low25.9Very low138 Ų138135.5 Ų135.574%0.73873%0.729SS**  trans85.3121.9141.8-65-28.7000121
672Q25.7Very low26.2Very low169 Ų169136.8 Ų136.879%0.7973%0.729SS**  trans81.989.8140.1-64.9168.829.800120
673S26.3Very low26.5Very low123 Ų123138.4 Ų138.486%0.8673%0.728SS**  68.177.6120.8-51.60000119.8
674A26.8Very low26.6Very low93 Ų93138.6 Ų138.677%0.76973%0.729SS**  trans-133.5156.7157.100000110.1
675P27.4Very low27Very low104 Ų104136.2 Ų136.268%0.67572%0.716SS**  trans-85.6145.9-153.632.4-36.5000116.1S677P675-S677 PolarHBondContact O-N 3.41Å
676E26.8Very low27.4Very low181 Ų181138.3 Ų138.385%0.84671%0.706SS**THydrogen-bonded Turntrans-71.19.9179.3-59178.911400114.8E678E676-E678 PolarHBondContact O-N 3.18Å
677S29.8Very low27.9Very low69 Ų69138.1 Ų138.148%0.48370%0.696SS.*THydrogen-bonded Turntrans-80.4-14.1-165.849.20000116.3P675P675-S677 PolarHBondContact O-N 3.41Å
678E32.1Very low28.4Very low169 Ų169136.7 Ų136.779%0.7969%0.685SS**THydrogen-bonded Turntrans-98.3-17-174.9-63.7-162.513800114.5E676E676-E678 PolarHBondContact O-N 3.18Å
679I29.2Very low28.8Very low135 Ų135133 Ų13369%0.69267%0.67SS**THydrogen-bonded Turntrans-84.6-22-176.6-63.1179000112.3Y681I679-Y681 VanDerWaalsContact C-N 3.31Å; I679-Y681 PolarHBondContact O-N 2.91Å
680Q27.7Very low29.2Very low147 Ų147130.7 Ų130.769%0.68766%0.663SS**G310 helixtrans-68.3-25.4178.2-78-179.5-25.200113.8L682 Y683Q680-L682 PolarHBondContact O-N 3.24Å; Q680-L682 VanDerWaalsContact O-N 3.12Å; Q680-Y683 PolarHBondContact O-N 3.1Å
681Y28.7Very low29.6Very low205 Ų205128.4 Ų128.480%0.80466%0.658SS**G310 helixtrans-70.8-4.2-177.6-84.8-77.4000115.6I679I679-Y681 VanDerWaalsContact C-N 3.31Å; I679-Y681 PolarHBondContact O-N 2.91Å
682L30Very low30.1Very low138 Ų138125.5 Ų125.572%0.72364%0.637SS**G310 helixtrans-104-6.7174-70.7173.2000114.1Q680Q680-L682 PolarHBondContact O-N 3.24Å; Q680-L682 VanDerWaalsContact O-N 3.12Å
683Y27.9Very low30.5Very low198 Ų198121.6 Ų121.678%0.77662%0.62SS**THydrogen-bonded Turntrans-104.3-18.2-175.7-97.3-82.8000115Q680Q680-Y683 PolarHBondContact O-N 3.1Å
684E27.7Very low31.1Very low145 Ų145121 Ų12168%0.67861%0.607SS**SBendtrans-94.8149.5169.5-59.9-158.3160.500111.7W686E684-W686 PolarHBondContact O-N 3.19Å
685N31.5Very low31.4Very low66 Ų66120.2 Ų120.235%0.35359%0.587SS.*  trans68.927.9157.1-59.9-41.7000118.4W687 H688N685-W687 PolarHBondContact O-N 2.82Å; N685-W687 VanDerWaalsContact O-N 3.11Å; N685-W687 PolarHBondContact OD1-NE1 3.12Å; N685-H688 HydrophobicContact CB-CB 4.16Å; N685-H688 VanDerWaalsContact CB-ND1 3.32Å; N685-H688 WeakPolarHBondContact CB-ND1 3.25Å; N685-H688 WeakPolarHBondContact O-CB 3.2Å; N685-H688 PolarHBondContact O-N 3.43Å; N685-H688 PolarHBondContact OD1-CE1 2.91Å; N685-H688 PolarHBondContact OD1-ND1 3.05Å; N685-H688 VanDerWaalsContact OD1-ND1 3.08Å
686W33.1Very low31.8Very low128 Ų128118.7 Ų118.749%0.48557%0.569SS.*G310 helixtrans-55.1-29.5168.165.1-97.1000113.3E684 H688 Y692E684-W686 PolarHBondContact O-N 3.19Å; W686-H688 VanDerWaalsContact C-N 3.31Å; W686-H688 PolarHBondContact O-N 3.09Å; W686-Y692 HydrophobicContact CE3-CD1 4.26Å; W686-Y692 HydrophobicContact CE3-CE1 4.49Å
687W34Very low32.1Very low123 Ų123114.2 Ų114.247%0.46656%0.563SS.*G310 helixtrans-72.4-12.5173.851.778000115.3N685 M693N685-W687 PolarHBondContact O-N 2.82Å; N685-W687 VanDerWaalsContact O-N 3.11Å; N685-W687 PolarHBondContact OD1-NE1 3.12Å; W687-M693 HydrophobicContact CB-CE 3.46Å; W687-M693 VanDerWaalsContact CB-CE 3.46Å
688H34.5Very low32.4Very low135 Ų135115 Ų11563%0.62557%0.569SS**G310 helixtrans-80.7-15.9175.7-77.574.1000113N685 W686 A690N685-H688 HydrophobicContact CB-CB 4.16Å; N685-H688 VanDerWaalsContact CB-ND1 3.32Å; N685-H688 WeakPolarHBondContact CB-ND1 3.25Å; N685-H688 WeakPolarHBondContact O-CB 3.2Å; N685-H688 PolarHBondContact O-N 3.43Å; N685-H688 PolarHBondContact OD1-CE1 2.91Å; N685-H688 PolarHBondContact OD1-ND1 3.05Å; N685-H688 VanDerWaalsContact OD1-ND1 3.08Å; W686-H688 VanDerWaalsContact C-N 3.31Å; W686-H688 PolarHBondContact O-N 3.09Å; H688-A690 PolarHBondContact O-N 3.44Å
689N32.7Very low32.3Very low73 Ų73110.4 Ų110.439%0.3955%0.548SS..  trans-79.8103.2178-178.4-16.5000110.2S691 Y692 M693N689-S691 PolarHBondContact O-N 3.38Å; N689-S691 WeakPolarHBondContact OD1-CB 3.36Å; N689-S691 PolarHBondContact OD1-N 3.11Å; N689-Y692 WeakPolarHBondContact O-CA 3.28Å; N689-Y692 VanDerWaalsContact O-CB 3.25Å; N689-Y692 WeakPolarHBondContact O-CB 3.33Å; N689-Y692 PolarHBondContact O-N 2.97Å; N689-Y692 PolarHBondContact OD1-N 2.89Å; N689-M693 PolarHBondContact O-N 3.11Å
690A32.8Very low32.3Very low67 Ų67111.2 Ų111.255%0.55455%0.554SS**Hα-helixtrans-59.8-29.8-178.900000113.9H688 N694H688-A690 PolarHBondContact O-N 3.44Å; A690-N694 WeakPolarHBondContact O-CB 3.31Å; A690-N694 PolarHBondContact O-N 3.16Å; A690-N694 PolarHBondContact O-ND2 3.12Å
691S33Very low32.4Very low91 Ų91111.6 Ų111.664%0.63656%0.556SS**Hα-helixtrans-70-36.1173.6-56.60000111.6N689 F695N689-S691 PolarHBondContact O-N 3.38Å; N689-S691 WeakPolarHBondContact OD1-CB 3.36Å; N689-S691 PolarHBondContact OD1-N 3.11Å; S691-F695 VanDerWaalsContact O-CB 3.28Å; S691-F695 WeakPolarHBondContact O-CB 3.15Å; S691-F695 PolarHBondContact O-N 3.49Å
692Y34.4Very low32.2Very low77 Ų77106.3 Ų106.330%0.30254%0.54SS..Hα-helixtrans-67.8-46.1174.9-135.8-105.5000110.7W686 N689 F695 F696W686-Y692 HydrophobicContact CE3-CD1 4.26Å; W686-Y692 HydrophobicContact CE3-CE1 4.49Å; N689-Y692 WeakPolarHBondContact O-CA 3.28Å; N689-Y692 VanDerWaalsContact O-CB 3.25Å; N689-Y692 WeakPolarHBondContact O-CB 3.33Å; N689-Y692 PolarHBondContact O-N 2.97Å; N689-Y692 PolarHBondContact OD1-N 2.89Å; Y692-F695 WeakPolarHBondContact O-CB 3.36Å; Y692-F695 PolarHBondContact O-N 3.21Å; Y692-F696 AromaticContact CD1-CD2 3.99Å; Y692-F696 HydrophobicContact CD1-CD2 3.99Å; Y692-F696 AromaticContact CD1-CE2 3.75Å; Y692-F696 HydrophobicContact CD1-CE2 3.75Å; Y692-F696 HydrophobicContact CE1-CD2 4.28Å; Y692-F696 AromaticContact CE1-CE2 3.56Å; Y692-F696 HydrophobicContact CE1-CE2 3.56Å; Y692-F696 HydrophobicContact CE1-CZ 4.4Å; Y692-F696 WeakPolarHBondContact O-CD2 3.2Å; Y692-F696 PolarHBondContact O-N 3.4Å
693M34.8Very low32.2Very low86 Ų86105.8 Ų105.842%0.42454%0.536SS..Hα-helixtrans-62.1-44.4175.5-83.6-68.7-175.200112.8W687 N689 F695 F696 A697W687-M693 HydrophobicContact CB-CE 3.46Å; W687-M693 VanDerWaalsContact CB-CE 3.46Å; N689-M693 PolarHBondContact O-N 3.11Å; M693-F695 VanDerWaalsContact C-N 3.32Å; M693-F695 PolarHBondContact O-N 3.41Å; M693-F696 PolarHBondContact O-N 2.86Å; M693-A697 VanDerWaalsContact O-CB 3.29Å; M693-A697 WeakPolarHBondContact O-CB 3.27Å; M693-A697 PolarHBondContact O-N 3.43Å
694N38Very low32.2Very low110 Ų110100.7 Ų100.759%0.58853%0.525SS*.Hα-helixtrans-64.6-36.3175-78.3-23.2000112.3A690 A697 S698A690-N694 WeakPolarHBondContact O-CB 3.31Å; A690-N694 PolarHBondContact O-N 3.16Å; A690-N694 PolarHBondContact O-ND2 3.12Å; N694-A697 PolarHBondContact O-N 3.48Å; N694-S698 VanDerWaalsContact O-CB 3.31Å; N694-S698 WeakPolarHBondContact O-CB 3.35Å; N694-S698 PolarHBondContact O-N 3.29Å; N694-S698 PolarHBondContact O-OG 3.37Å
695F34.1Very low32.5Very low78 Ų78102 Ų10234%0.34254%0.537SS..Hα-helixtrans-63.2-49.9175.1-177.9-97.1000111.4Q588 S691 Y692 M693 A697 S698 M699Q588-F695 HydrophobicContact CG-CZ 4.17Å; S691-F695 VanDerWaalsContact O-CB 3.28Å; S691-F695 WeakPolarHBondContact O-CB 3.15Å; S691-F695 PolarHBondContact O-N 3.49Å; Y692-F695 WeakPolarHBondContact O-CB 3.36Å; Y692-F695 PolarHBondContact O-N 3.21Å; M693-F695 VanDerWaalsContact C-N 3.32Å; M693-F695 PolarHBondContact O-N 3.41Å; F695-A697 PolarHBondContact O-N 3.17Å; F695-S698 PolarHBondContact O-N 3.06Å; F695-S698 VanDerWaalsContact O-N 3.13Å; F695-S698 PolarHBondContact O-OG 2.94Å; F695-M699 HydrophobicContact CD1-SD 4.3Å; F695-M699 HydrophobicContact CE1-CE 3.53Å; F695-M699 HydrophobicContact CE1-SD 3.78Å; F695-M699 HydrophobicContact CZ-CE 3.54Å; F695-M699 HydrophobicContact CZ-SD 4.35Å; F695-M699 PolarHBondContact O-N 2.9Å
696F34.4Very low32.8Very low71 Ų71101.9 Ų101.931%0.31154%0.535SS..Hα-helixtrans-63.2-37.3175.7-89.6-98.4000112.9Y692 M693 S698 M699 M703Y692-F696 AromaticContact CD1-CD2 3.99Å; Y692-F696 HydrophobicContact CD1-CD2 3.99Å; Y692-F696 AromaticContact CD1-CE2 3.75Å; Y692-F696 HydrophobicContact CD1-CE2 3.75Å; Y692-F696 HydrophobicContact CE1-CD2 4.28Å; Y692-F696 AromaticContact CE1-CE2 3.56Å; Y692-F696 HydrophobicContact CE1-CE2 3.56Å; Y692-F696 HydrophobicContact CE1-CZ 4.4Å; Y692-F696 WeakPolarHBondContact O-CD2 3.2Å; Y692-F696 PolarHBondContact O-N 3.4Å; M693-F696 PolarHBondContact O-N 2.86Å; F696-S698 VanDerWaalsContact C-N 3.28Å; F696-S698 PolarHBondContact O-N 3.12Å; F696-M699 PolarHBondContact O-N 2.87Å; F696-M703 HydrophobicContact CE1-CB 4.01Å
697A33.3Very low33.2Very low87 Ų87100.7 Ų100.772%0.71954%0.538SS*.Hα-helixtrans-71.2-21.9174.800000113.4M693 N694 F695M693-A697 VanDerWaalsContact O-CB 3.29Å; M693-A697 WeakPolarHBondContact O-CB 3.27Å; M693-A697 PolarHBondContact O-N 3.43Å; N694-A697 PolarHBondContact O-N 3.48Å; F695-A697 PolarHBondContact O-N 3.17Å
698S36Very low33.7Very low87 Ų87102.1 Ų102.161%0.60855%0.55SS**THydrogen-bonded Turntrans-88.8-4.117472.40000114.3N694 F695 F696N694-S698 VanDerWaalsContact O-CB 3.31Å; N694-S698 WeakPolarHBondContact O-CB 3.35Å; N694-S698 PolarHBondContact O-N 3.29Å; N694-S698 PolarHBondContact O-OG 3.37Å; F695-S698 PolarHBondContact O-N 3.06Å; F695-S698 VanDerWaalsContact O-N 3.13Å; F695-S698 PolarHBondContact O-OG 2.94Å; F696-S698 VanDerWaalsContact C-N 3.28Å; F696-S698 PolarHBondContact O-N 3.12Å
699M29.7Very low34.2Very low72 Ų72100 Ų10036%0.35554%0.542SS..SBendtrans-87.8108.5175.8-81.8-171.8149.100110.9F695 F696 H701F695-M699 HydrophobicContact CD1-SD 4.3Å; F695-M699 HydrophobicContact CE1-CE 3.53Å; F695-M699 HydrophobicContact CE1-SD 3.78Å; F695-M699 HydrophobicContact CZ-CE 3.54Å; F695-M699 HydrophobicContact CZ-SD 4.35Å; F695-M699 PolarHBondContact O-N 2.9Å; F696-M699 PolarHBondContact O-N 2.87Å; M699-H701 PolarHBondContact O-N 3.33Å; M699-H701 VanDerWaalsContact O-N 3.1Å
700D30.5Very low34.9Very low152 Ų15297.8 Ų97.881%0.81353%0.529SS*.SBendtrans-55.6115.5159.2-81.8-47.1000109.5
701H29.1Very low35.5Very low155 Ų15598 Ų9872%0.71852%0.521SS*.SBendtrans72.6113173.2-56.6-64000118.9M699M699-H701 PolarHBondContact O-N 3.33Å; M699-H701 VanDerWaalsContact O-N 3.1Å
702I24.8Very low36.3Very low93 Ų9398.9 Ų98.948%0.47751%0.511SS..  trans84.3132.3150.7-45.6139.8000116.7W618W618-I702 HydrophobicContact CH2-CG1 4.49Å; W618-I702 HydrophobicContact CH2-CG2 4.03Å; W618-I702 HydrophobicContact CZ2-CD1 3.76Å; W618-I702 HydrophobicContact CZ2-CG1 3.86Å; W618-I702 HydrophobicContact CZ2-CG2 4.22Å
703M30.1Very low37Very low128 Ų12895.2 Ų95.263%0.63150%0.497SS*.  trans164.240.9134.6-86.1-76.9122.600114.7F696F696-M703 HydrophobicContact CE1-CB 4.01Å
704V28.5Very low37.7Very low90 Ų9093 Ų9355%0.54549%0.493SS..SBendtrans-138.7146.3162-172.50000109L706V704-L706 VanDerWaalsContact C-N 3.26Å; V704-L706 HydrophobicContact CB-CD1 4.18Å; V704-L706 HydrophobicContact CB-CG 4.14Å; V704-L706 HydrophobicContact CG1-CD1 4.45Å; V704-L706 HydrophobicContact CG1-CG 4.06Å; V704-L706 PolarHBondContact O-N 2.99Å
705N32.7Very low38.2Very low173 Ų17393.2 Ų93.293%0.92549%0.49SS*.  trans-69.280.2172.8-77.9-21.7000110.9
706L39Very low38.9Very low63 Ų6390.5 Ų90.533%0.3348%0.479SS..  trans-116.3137.4175.1-67.1170.7000108.9V704 E710 L711V704-L706 VanDerWaalsContact C-N 3.26Å; V704-L706 HydrophobicContact CB-CD1 4.18Å; V704-L706 HydrophobicContact CB-CG 4.14Å; V704-L706 HydrophobicContact CG1-CD1 4.45Å; V704-L706 HydrophobicContact CG1-CG 4.06Å; V704-L706 PolarHBondContact O-N 2.99Å; L706-E710 WeakPolarHBondContact CA-OE2 3.35Å; L706-E710 HydrophobicContact CB-CB 4.04Å; L706-E710 HydrophobicContact CD2-CB 4.07Å; L706-L711 HydrophobicContact CB-CD2 3.91Å; L706-L711 HydrophobicContact CB-CG 3.82Å; L706-L711 HydrophobicContact CD1-CD2 3.83Å
707L41.9Very low39.7Very low103 Ų10388.7 Ų88.754%0.53947%0.47SS..  trans-61.5156.1171.2-64.4169.7000110.1I709 E710 L711L707-I709 HydrophobicContact CB-CG2 4.09Å; L707-I709 PolarHBondContact O-N 2.96Å; L707-E710 HydrophobicContact CB-CB 4.43Å; L707-E710 HydrophobicContact CB-CG 4.11Å; L707-E710 WeakPolarHBondContact CB-OE2 3.29Å; L707-E710 WeakPolarHBondContact CG-OE2 3.45Å; L707-E710 PolarHBondContact N-OE2 3Å; L707-E710 WeakPolarHBondContact O-CA 3.36Å; L707-E710 WeakPolarHBondContact O-CB 3.4Å; L707-E710 PolarHBondContact O-N 3.28Å; L707-L711 PolarHBondContact O-N 3.41Å
708Q43.1Very low40.6Very low154 Ų15490.2 Ų90.272%0.7247%0.471SS*.Hα-helixtrans-52.4-35.4177.5-171.864.435.600112.6Y712Q708-Y712 VanDerWaalsContact O-CB 3.27Å; Q708-Y712 WeakPolarHBondContact O-CB 3.29Å; Q708-Y712 PolarHBondContact O-N 3.4Å
709I45.9Very low41.2Very low89 Ų8992.9 Ų92.946%0.45647%0.474SS..Hα-helixtrans-74.9-28.6176.9-164.4166.2000113.4L707 A713 Y732L707-I709 HydrophobicContact CB-CG2 4.09Å; L707-I709 PolarHBondContact O-N 2.96Å; I709-A713 WeakPolarHBondContact O-CB 3.44Å; I709-A713 PolarHBondContact O-N 2.67Å; I709-Y732 HydrophobicContact CD1-CD1 4.46Å; I709-Y732 HydrophobicContact CD1-CE1 4.47Å
710E46.6Very low42.1Very low27 Ų2795.3 Ų95.313%0.12648%0.48CS..Hα-helixtrans-78.5-38.4176.9-67173.7136.800111.2L706 L707 A713 A714 F751L706-E710 WeakPolarHBondContact CA-OE2 3.35Å; L706-E710 HydrophobicContact CB-CB 4.04Å; L706-E710 HydrophobicContact CD2-CB 4.07Å; L707-E710 HydrophobicContact CB-CB 4.43Å; L707-E710 HydrophobicContact CB-CG 4.11Å; L707-E710 WeakPolarHBondContact CB-OE2 3.29Å; L707-E710 WeakPolarHBondContact CG-OE2 3.45Å; L707-E710 PolarHBondContact N-OE2 3Å; L707-E710 WeakPolarHBondContact O-CA 3.36Å; L707-E710 WeakPolarHBondContact O-CB 3.4Å; L707-E710 PolarHBondContact O-N 3.28Å; E710-A713 PolarHBondContact O-N 2.93Å; E710-A714 WeakPolarHBondContact O-CB 3.22Å; E710-A714 PolarHBondContact O-N 3.38Å; E710-F751 HydrophobicContact CB-CD2 4.38Å; E710-F751 HydrophobicContact CB-CE2 3.68Å; E710-F751 HydrophobicContact CB-CZ 3.86Å; E710-F751 HydrophobicContact CG-CD2 4.06Å; E710-F751 HydrophobicContact CG-CE1 4.47Å; E710-F751 HydrophobicContact CG-CE2 3.82Å; E710-F751 HydrophobicContact CG-CZ 4.04Å
711L46.6Very low43.1Very low73 Ų7389.4 Ų89.438%0.38246%0.455SS..Hα-helixtrans-60.4-47.8168.4-71.3171.9000110.9L706 L707 A714 Q715L706-L711 HydrophobicContact CB-CD2 3.91Å; L706-L711 HydrophobicContact CB-CG 3.82Å; L706-L711 HydrophobicContact CD1-CD2 3.83Å; L707-L711 PolarHBondContact O-N 3.41Å; L711-A714 PolarHBondContact O-N 3.3Å; L711-Q715 WeakPolarHBondContact O-CG 3.17Å; L711-Q715 PolarHBondContact O-N 3.26Å
712Y48.9Very low44.1Very low108 Ų10887.2 Ų87.242%0.42445%0.445SS..Hα-helixtrans-63.8-41.6177.6-178-134.6000111.9Q708 A714 Q715 M716 I729Q708-Y712 VanDerWaalsContact O-CB 3.27Å; Q708-Y712 WeakPolarHBondContact O-CB 3.29Å; Q708-Y712 PolarHBondContact O-N 3.4Å; Y712-A714 PolarHBondContact O-N 2.92Å; Y712-Q715 PolarHBondContact O-N 2.93Å; Y712-M716 HydrophobicContact CD2-CG 4.03Å; Y712-M716 HydrophobicContact CE2-CG 3.76Å; Y712-M716 HydrophobicContact CE2-SD 3.83Å; Y712-M716 WeakPolarHBondContact O-CB 3.18Å; Y712-M716 WeakPolarHBondContact O-CG 3.38Å; Y712-M716 PolarHBondContact O-N 3.09Å; Y712-I729 HydrophobicContact CD1-CD1 4.15Å; Y712-I729 HydrophobicContact CE1-CD1 3.36Å; Y712-I729 HydrophobicContact CE1-CG1 4.04Å
713A48.6Very low45.6Very low1 Ų184.8 Ų84.81%0.00844%0.439CS..Hα-helixtrans-64-37.3173.800000112.8I709 E710 Y717 F724 I729 F751I709-A713 WeakPolarHBondContact O-CB 3.44Å; I709-A713 PolarHBondContact O-N 2.67Å; E710-A713 PolarHBondContact O-N 2.93Å; A713-Y717 WeakPolarHBondContact O-CB 3.28Å; A713-Y717 PolarHBondContact O-N 3.46Å; A713-F724 HydrophobicContact CB-CE2 4.06Å; A713-F724 HydrophobicContact CB-CZ 3.91Å; A713-F724 WeakPolarHBondContact O-CE2 3.18Å; A713-I729 HydrophobicContact CB-CG2 4.1Å; A713-F751 HydrophobicContact CB-CE1 3.93Å; A713-F751 HydrophobicContact CB-CZ 3.93Å
714A49.2Very low46.9Very low40 Ų4078.8 Ų78.833%0.33141%0.409SS..Hα-helixtrans-67.6-39.9174.600000112.3E710 L711 Y712 Y717 T718E710-A714 WeakPolarHBondContact O-CB 3.22Å; E710-A714 PolarHBondContact O-N 3.38Å; L711-A714 PolarHBondContact O-N 3.3Å; Y712-A714 PolarHBondContact O-N 2.92Å; A714-Y717 PolarHBondContact O-N 3.4Å; A714-T718 PolarHBondContact O-N 3.45Å; A714-T718 PolarHBondContact O-OG1 2.79Å
715Q50.1Low48.1Very low114 Ų11477.3 Ų77.353%0.53340%0.395SS..Hα-helixtrans-61.8-50172.6-72.5171.9-38.600110.9L711 Y712 Y717 T718 E719L711-Q715 WeakPolarHBondContact O-CG 3.17Å; L711-Q715 PolarHBondContact O-N 3.26Å; Y712-Q715 PolarHBondContact O-N 2.93Å; Q715-Y717 VanDerWaalsContact C-N 3.32Å; Q715-Y717 PolarHBondContact O-N 3.21Å; Q715-T718 WeakPolarHBondContact O-CA 3.31Å; Q715-T718 WeakPolarHBondContact O-CB 3.38Å; Q715-T718 PolarHBondContact O-N 2.86Å; Q715-E719 PolarHBondContact O-N 3.39Å
716M47.8Very low49.4Very low20 Ų2075.9 Ų75.910%0.09938%0.383CS..Hα-helixtrans-62-35.4176-66-72.1-61.600112.4Y712 T718 E719 Y720 F724 T727 I729Y712-M716 HydrophobicContact CD2-CG 4.03Å; Y712-M716 HydrophobicContact CE2-CG 3.76Å; Y712-M716 HydrophobicContact CE2-SD 3.83Å; Y712-M716 WeakPolarHBondContact O-CB 3.18Å; Y712-M716 WeakPolarHBondContact O-CG 3.38Å; Y712-M716 PolarHBondContact O-N 3.09Å; M716-T718 VanDerWaalsContact C-N 3.32Å; M716-E719 PolarHBondContact O-N 3.45Å; M716-Y720 HydrophobicContact CB-CD2 4.49Å; M716-Y720 HydrophobicContact CE-CD2 3.7Å; M716-Y720 HydrophobicContact CE-CE2 3.37Å; M716-Y720 WeakPolarHBondContact O-CB 3.15Å; M716-Y720 VanDerWaalsContact O-CD2 3.32Å; M716-Y720 WeakPolarHBondContact O-CD2 3.43Å; M716-Y720 PolarHBondContact O-N 3.21Å; M716-Y720 HydrophobicContact SD-CD2 4.25Å; M716-Y720 HydrophobicContact SD-CE2 3.83Å; M716-F724 HydrophobicContact CB-CD2 3.78Å; M716-F724 HydrophobicContact CB-CE2 4Å; M716-T727 HydrophobicContact CE-CG2 4.14Å; M716-I729 HydrophobicContact CE-CD1 4.01Å; M716-I729 HydrophobicContact CG-CD1 4.14Å; M716-I729 HydrophobicContact SD-CD1 4.47Å
717Y52.1Low50.1Low33 Ų3374.1 Ų74.113%0.12938%0.375CS..Hα-helixtrans-67.7-33.5172.7-177.5-97.3000112.4A713 A714 Q715 G721 F724 F725 I755 H759A713-Y717 WeakPolarHBondContact O-CB 3.28Å; A713-Y717 PolarHBondContact O-N 3.46Å; A714-Y717 PolarHBondContact O-N 3.4Å; Q715-Y717 VanDerWaalsContact C-N 3.32Å; Q715-Y717 PolarHBondContact O-N 3.21Å; Y717-G721 WeakPolarHBondContact CD2-O 3.47Å; Y717-G721 WeakPolarHBondContact CE2-O 3.3Å; Y717-G721 WeakPolarHBondContact O-CA 3.15Å; Y717-G721 PolarHBondContact O-N 3.04Å; Y717-F724 HydrophobicContact CD2-CB 3.86Å; Y717-F724 AromaticContact CD2-CD1 3.87Å; Y717-F724 HydrophobicContact CD2-CD1 3.87Å; Y717-F724 AromaticContact CD2-CG 4Å; Y717-F724 HydrophobicContact CD2-CG 4Å; Y717-F725 HydrophobicContact CE2-CE2 4.19Å; Y717-F725 HydrophobicContact CE2-CZ 4.45Å; Y717-I755 HydrophobicContact CD2-CG2 4.04Å; Y717-I755 HydrophobicContact CE2-CG2 4.03Å; Y717-I755 HydrophobicContact CG-CG2 4.42Å; Y717-H759 WeakPolarHBondContact OH-CB 3.46Å; Y717-H759 PolarHBondContact OH-ND1 3.04Å
718T51.9Low50.9Low120 Ų12073.1 Ų73.174%0.73638%0.381SS*.Hα-helixtrans-70.9-35.6176-51.40000112A714 Q715 M716A714-T718 PolarHBondContact O-N 3.45Å; A714-T718 PolarHBondContact O-OG1 2.79Å; Q715-T718 WeakPolarHBondContact O-CA 3.31Å; Q715-T718 WeakPolarHBondContact O-CB 3.38Å; Q715-T718 PolarHBondContact O-N 2.86Å; M716-T718 VanDerWaalsContact C-N 3.32Å
719E48.4Very low51.3Low143 Ų14367.3 Ų67.367%0.66836%0.355SS*.Hα-helixtrans-77.8-43.9175.9-70-174.8162.400113.5Q715 M716Q715-E719 PolarHBondContact O-N 3.39Å; M716-E719 PolarHBondContact O-N 3.45Å
720Y47.7Very low51.5Low123 Ų12363 Ų6348%0.48233%0.333SS..Hα-helixtrans-104-11-168.4-66-88.5000114.6M716 E722 A723M716-Y720 HydrophobicContact CB-CD2 4.49Å; M716-Y720 HydrophobicContact CE-CD2 3.7Å; M716-Y720 HydrophobicContact CE-CE2 3.37Å; M716-Y720 WeakPolarHBondContact O-CB 3.15Å; M716-Y720 VanDerWaalsContact O-CD2 3.32Å; M716-Y720 WeakPolarHBondContact O-CD2 3.43Å; M716-Y720 PolarHBondContact O-N 3.21Å; M716-Y720 HydrophobicContact SD-CD2 4.25Å; M716-Y720 HydrophobicContact SD-CE2 3.83Å; Y720-E722 PolarHBondContact O-N 3.44Å; Y720-A723 WeakPolarHBondContact O-CB 3.47Å; Y720-A723 PolarHBondContact O-N 2.96Å
721G52.9Low52Low28 Ų2868.3 Ų68.329%0.28935%0.352SS..G310 helixtrans57.9-128.6178.400000112.7Y717 A723 F724Y717-G721 WeakPolarHBondContact CD2-O 3.47Å; Y717-G721 WeakPolarHBondContact CE2-O 3.3Å; Y717-G721 WeakPolarHBondContact O-CA 3.15Å; Y717-G721 PolarHBondContact O-N 3.04Å; G721-A723 PolarHBondContact O-N 3.04Å; G721-F724 WeakPolarHBondContact O-CB 3.21Å; G721-F724 PolarHBondContact O-N 3.26Å; G721-F724 VanDerWaalsContact O-N 3.15Å
722E50.2Low52.3Low109 Ų10972 Ų7251%0.50936%0.362SS..G310 helixtrans-61.1-32175.7-70-173.4172.700112.8Y720 F724 F725 H759 K763Y720-E722 PolarHBondContact O-N 3.44Å; E722-F724 PolarHBondContact O-N 3.08Å; E722-F724 VanDerWaalsContact O-N 3.15Å; E722-F725 WeakPolarHBondContact O-CD2 3.26Å; E722-F725 PolarHBondContact O-N 2.95Å; E722-H759 IonicContact OE1-CE1 3.79Å; E722-H759 PolarHBondContact OE1-CE1 2.86Å; E722-H759 IonicContact OE1-NE2 3.59Å; E722-H759 PolarHBondContact OE1-NE2 3.06Å; E722-K763 IonicContact OE1-NZ 3.43Å; E722-K763 PolarHBondContact OE1-NZ 3.46Å
723A56Low52.2Low42 Ų4267.8 Ų67.835%0.34735%0.348SS..G310 helixtrans-69.3-10178.700000113.3Y720 G721 F725 E726 T727Y720-A723 WeakPolarHBondContact O-CB 3.47Å; Y720-A723 PolarHBondContact O-N 2.96Å; G721-A723 PolarHBondContact O-N 3.04Å; A723-F725 PolarHBondContact O-N 3.25Å; A723-E726 WeakPolarHBondContact O-CB 3.44Å; A723-E726 PolarHBondContact O-N 2.97Å; A723-T727 PolarHBondContact O-N 3.45Å
724F56.1Low52Low1 Ų170.7 Ų70.70%0.00437%0.365CS..G310 helixtrans-51.2-44168.2167-104.7000111.8A713 M716 Y717 G721 E722 E726 T727 I729 G730A713-F724 HydrophobicContact CB-CE2 4.06Å; A713-F724 HydrophobicContact CB-CZ 3.91Å; A713-F724 WeakPolarHBondContact O-CE2 3.18Å; M716-F724 HydrophobicContact CB-CD2 3.78Å; M716-F724 HydrophobicContact CB-CE2 4Å; Y717-F724 HydrophobicContact CD2-CB 3.86Å; Y717-F724 AromaticContact CD2-CD1 3.87Å; Y717-F724 HydrophobicContact CD2-CD1 3.87Å; Y717-F724 AromaticContact CD2-CG 4Å; Y717-F724 HydrophobicContact CD2-CG 4Å; G721-F724 WeakPolarHBondContact O-CB 3.21Å; G721-F724 PolarHBondContact O-N 3.26Å; G721-F724 VanDerWaalsContact O-N 3.15Å; E722-F724 PolarHBondContact O-N 3.08Å; E722-F724 VanDerWaalsContact O-N 3.15Å; F724-E726 PolarHBondContact O-N 3.24Å; F724-T727 WeakPolarHBondContact O-CB 3.24Å; F724-T727 WeakPolarHBondContact O-CG2 3.26Å; F724-T727 PolarHBondContact O-N 2.95Å; F724-T727 PolarHBondContact O-OG1 2.76Å; F724-I729 HydrophobicContact CE2-CB 4.43Å; F724-I729 HydrophobicContact CE2-CG2 4.01Å; F724-I729 HydrophobicContact CZ-CG2 4.35Å; F724-G730 WeakPolarHBondContact O-CA 3.44Å
725F53.5Low51.6Low60 Ų6075 Ų7526%0.26338%0.379SS..G310 helixtrans-66-19.5-178.2-62.6-66.9000113.2Y717 E722 A723 T734 I755Y717-F725 HydrophobicContact CE2-CE2 4.19Å; Y717-F725 HydrophobicContact CE2-CZ 4.45Å; E722-F725 WeakPolarHBondContact O-CD2 3.26Å; E722-F725 PolarHBondContact O-N 2.95Å; A723-F725 PolarHBondContact O-N 3.25Å; F725-T734 HydrophobicContact CD1-CG2 3.79Å; F725-T734 HydrophobicContact CE1-CG2 4.38Å; F725-I755 HydrophobicContact CE1-CG2 4.33Å; F725-I755 HydrophobicContact CZ-CG2 3.8Å
726E60Low51.1Low142 Ų14277.3 Ų77.366%0.66439%0.39SS*.G310 helixtrans-85.5-17.6173.8-56.1-169.7162.500112.8A723 F724 R731A723-E726 WeakPolarHBondContact O-CB 3.44Å; A723-E726 PolarHBondContact O-N 2.97Å; F724-E726 PolarHBondContact O-N 3.24Å; E726-R731 VanDerWaalsContact O-CZ 3.24Å; E726-R731 PolarHBondContact O-NE 2.94Å; E726-R731 PolarHBondContact O-NH2 2.99Å
727T54.3Low50.5Low27 Ų2779.8 Ų79.817%0.16641%0.409CS..SBendtrans-65.9162.1174.872.60000111.5M716 A723 F724 I729 G730 R731M716-T727 HydrophobicContact CE-CG2 4.14Å; A723-T727 PolarHBondContact O-N 3.45Å; F724-T727 WeakPolarHBondContact O-CB 3.24Å; F724-T727 WeakPolarHBondContact O-CG2 3.26Å; F724-T727 PolarHBondContact O-N 2.95Å; F724-T727 PolarHBondContact O-OG1 2.76Å; T727-I729 PolarHBondContact O-N 2.87Å; T727-I729 PolarHBondContact OG1-N 3.41Å; T727-G730 PolarHBondContact O-N 3.46Å; T727-G730 PolarHBondContact OG1-N 2.84Å; T727-R731 WeakPolarHBondContact O-CB 3.46Å; T727-R731 PolarHBondContact O-N 3.25Å
728A58.6Low49.8Very low81 Ų8184.6 Ų84.667%0.66944%0.442SS*.Hα-helixtrans-61.2-29.3173.600000112.7Y732A728-Y732 VanDerWaalsContact O-CB 3.31Å; A728-Y732 WeakPolarHBondContact O-CB 3.24Å; A728-Y732 PolarHBondContact O-N 3.34Å
729I52.1Low48.9Very low32 Ų3281.5 Ų81.516%0.16443%0.434CS..Hα-helixtrans-76.9-42.6178.9-60.7139.4000110.2Y712 A713 M716 F724 T727 Y732 C733Y712-I729 HydrophobicContact CD1-CD1 4.15Å; Y712-I729 HydrophobicContact CE1-CD1 3.36Å; Y712-I729 HydrophobicContact CE1-CG1 4.04Å; A713-I729 HydrophobicContact CB-CG2 4.1Å; M716-I729 HydrophobicContact CE-CD1 4.01Å; M716-I729 HydrophobicContact CG-CD1 4.14Å; M716-I729 HydrophobicContact SD-CD1 4.47Å; F724-I729 HydrophobicContact CE2-CB 4.43Å; F724-I729 HydrophobicContact CE2-CG2 4.01Å; F724-I729 HydrophobicContact CZ-CG2 4.35Å; T727-I729 PolarHBondContact O-N 2.87Å; T727-I729 PolarHBondContact OG1-N 3.41Å; I729-Y732 PolarHBondContact O-N 2.97Å; I729-C733 PolarHBondContact O-N 3.39Å; I729-C733 PolarHBondContact O-SG 2.75Å
730G50.1Low47.9Very low0 Ų079.5 Ų79.50%044%0.435CS..Hα-helixtrans-61-43.2172.200000112.2F724 T727 C733 T734F724-G730 WeakPolarHBondContact O-CA 3.44Å; T727-G730 PolarHBondContact O-N 3.46Å; T727-G730 PolarHBondContact OG1-N 2.84Å; G730-C733 CarbonylContact O-C 3.56Å; G730-C733 WeakPolarHBondContact O-CA 3.31Å; G730-C733 WeakPolarHBondContact O-CB 3.25Å; G730-C733 PolarHBondContact O-N 2.89Å; G730-C733 VanDerWaalsContact O-N 3.11Å; G730-T734 PolarHBondContact O-N 3.45Å; G730-T734 PolarHBondContact O-OG1 3.12Å
731R56.5Low47.3Very low137 Ų13775.8 Ų75.852%0.51743%0.428SS..Hα-helixtrans-64.1-43.5173.4-75.9-174.9-107.3-170.7-7.1113.3E726 T727 C733 T734 E735E726-R731 VanDerWaalsContact O-CZ 3.24Å; E726-R731 PolarHBondContact O-NE 2.94Å; E726-R731 PolarHBondContact O-NH2 2.99Å; T727-R731 WeakPolarHBondContact O-CB 3.46Å; T727-R731 PolarHBondContact O-N 3.25Å; R731-C733 PolarHBondContact O-N 3.49Å; R731-C733 VanDerWaalsContact O-N 3.11Å; R731-T734 WeakPolarHBondContact CA-OG1 2.94Å; R731-T734 PolarHBondContact O-N 3.46Å; R731-E735 WeakPolarHBondContact O-CB 3.12Å; R731-E735 WeakPolarHBondContact O-CG 3.41Å; R731-E735 PolarHBondContact O-N 2.83Å
732Y54.2Low46.4Very low151 Ų15178 Ų7859%0.59244%0.443SS*.Hα-helixtrans-61.8-19.2172.3-167.1-97.8000113.4I709 A728 I729I709-Y732 HydrophobicContact CD1-CD1 4.46Å; I709-Y732 HydrophobicContact CD1-CE1 4.47Å; A728-Y732 VanDerWaalsContact O-CB 3.31Å; A728-Y732 WeakPolarHBondContact O-CB 3.24Å; A728-Y732 PolarHBondContact O-N 3.34Å; I729-Y732 PolarHBondContact O-N 2.97Å
733C46.8Very low45.7Very low20 Ų2076.7 Ų76.714%0.13544%0.444CS..Hα-helixtrans-87.1-38.1168.6-60.80000112.7I729 G730 R731 I752I729-C733 PolarHBondContact O-N 3.39Å; I729-C733 PolarHBondContact O-SG 2.75Å; G730-C733 CarbonylContact O-C 3.56Å; G730-C733 WeakPolarHBondContact O-CA 3.31Å; G730-C733 WeakPolarHBondContact O-CB 3.25Å; G730-C733 PolarHBondContact O-N 2.89Å; G730-C733 VanDerWaalsContact O-N 3.11Å; R731-C733 PolarHBondContact O-N 3.49Å; R731-C733 VanDerWaalsContact O-N 3.11Å; C733-I752 HydrophobicContact CB-CG1 4.39Å; C733-I752 WeakPolarHBondContact O-CD1 3.44Å
734T44.7Very low44.3Very low61 Ų6180.9 Ų80.937%0.37446%0.455SS..Hα-helixtrans-90.1-14.3-174.755.60000115.4F725 G730 R731 E736F725-T734 HydrophobicContact CD1-CG2 3.79Å; F725-T734 HydrophobicContact CE1-CG2 4.38Å; G730-T734 PolarHBondContact O-N 3.45Å; G730-T734 PolarHBondContact O-OG1 3.12Å; R731-T734 WeakPolarHBondContact CA-OG1 2.94Å; R731-T734 PolarHBondContact O-N 3.46Å; T734-E736 PolarHBondContact O-N 2.89Å; T734-E736 VanDerWaalsContact O-N 3.14Å
735E40.7Very low43.2Very low132 Ų13281.6 Ų81.662%0.61746%0.463SS*.SBendtrans-64.6111.1174.5-81.4171.8-152.900110.4R731 S737R731-E735 WeakPolarHBondContact O-CB 3.12Å; R731-E735 WeakPolarHBondContact O-CG 3.41Å; R731-E735 PolarHBondContact O-N 2.83Å; E735-S737 PolarHBondContact O-N 3.37Å; E735-S737 VanDerWaalsContact O-N 3.12Å
736E38.8Very low42.4Very low162 Ų16285.1 Ų85.176%0.75748%0.48SS*.  trans-56.7118.6174.3-65.8-172.1142.700109.6T734 T738T734-E736 PolarHBondContact O-N 2.89Å; T734-E736 VanDerWaalsContact O-N 3.14Å; E736-T738 HydrophobicContact CB-CG2 4.09Å; E736-T738 PolarHBondContact O-N 2.89Å; E736-T738 PolarHBondContact O-OG1 3.02Å
737S35.5Very low41.3Very low72 Ų7282.9 Ų82.950%0.50347%0.472SS..  trans-68.675.1174.1-174.60000110.2E735 G739 S740E735-S737 PolarHBondContact O-N 3.37Å; E735-S737 VanDerWaalsContact O-N 3.12Å; S737-G739 PolarHBondContact O-N 3.46Å; S737-S740 PolarHBondContact OG-O 2.95Å
738T37.1Very low40.4Very low134 Ų13484.4 Ų84.482%0.82248%0.477SS*.  trans-75.138.3176.841.40000111E736E736-T738 HydrophobicContact CB-CG2 4.09Å; E736-T738 PolarHBondContact O-N 2.89Å; E736-T738 PolarHBondContact O-OG1 3.02Å
739G33Very low39.9Very low55 Ų5585.1 Ų85.157%0.56747%0.469SS*.SBendtrans167.9109.4-177.600000113S737S737-G739 PolarHBondContact O-N 3.46Å
740S28Very low39.7Very low100 Ų10088.9 Ų88.970%0.69949%0.486SS*.SBendtrans78.7139.1165.5-158.20000118.7S737S737-S740 PolarHBondContact OG-O 2.95Å
741S34.5Very low39.6Very low46 Ų4690.1 Ų90.132%0.32249%0.491SS..  trans76.168.8167.9-145.40000117.8P743 F744 G745S741-P743 WeakPolarHBondContact O-CD 3.35Å; S741-P743 VanDerWaalsContact O-N 3.15Å; S741-F744 PolarHBondContact O-N 3.1Å; S741-F744 VanDerWaalsContact O-N 3.11Å; S741-G745 PolarHBondContact O-N 2.83Å
742A34.5Very low39.4Very low75 Ų7584.2 Ų84.262%0.6247%0.47SS*.Hα-helixtrans-48.6-32.1177.500000118.6Q746A742-Q746 WeakPolarHBondContact O-CG 3.45Å; A742-Q746 PolarHBondContact O-N 2.86Å
743P34.3Very low39.4Very low80 Ų8080.2 Ų80.252%0.51946%0.456SS..Hα-helixtrans-77.5-29.4177.429.6-34.5000113.3S741 Q746 I747S741-P743 WeakPolarHBondContact O-CD 3.35Å; S741-P743 VanDerWaalsContact O-N 3.15Å; P743-Q746 PolarHBondContact O-N 2.78Å; P743-I747 WeakPolarHBondContact O-CG1 3.42Å; P743-I747 PolarHBondContact O-N 3.4Å; P743-I747 VanDerWaalsContact O-N 3.16Å
744F28.4Very low39.7Very low130 Ų13086.6 Ų86.657%0.5748%0.478SS*.Hα-helixtrans-73.2-44.4178.5-92.7-91.9000111.2S741 Q746 I747 Q748S741-F744 PolarHBondContact O-N 3.1Å; S741-F744 VanDerWaalsContact O-N 3.11Å; F744-Q746 PolarHBondContact O-N 3.4Å; F744-I747 PolarHBondContact O-N 3.3Å; F744-I747 VanDerWaalsContact O-N 3.12Å; F744-Q748 WeakPolarHBondContact O-CB 3.18Å; F744-Q748 WeakPolarHBondContact O-CG 3.5Å; F744-Q748 PolarHBondContact O-N 3.1Å; F744-Q748 PolarHBondContact O-OE1 3.18Å
745G32.2Very low39.9Very low17 Ų1784.3 Ų84.318%0.17546%0.463CS..Hα-helixtrans-57.2-35.9172.800000112.9S741 L749S741-G745 PolarHBondContact O-N 2.83Å; G745-L749 VanDerWaalsContact O-CB 3.26Å; G745-L749 WeakPolarHBondContact O-CB 3.35Å; G745-L749 WeakPolarHBondContact O-CD1 3.35Å; G745-L749 WeakPolarHBondContact O-CG 3.49Å; G745-L749 PolarHBondContact O-N 3.14Å
746Q37.3Very low40.5Very low133 Ų13384 Ų8462%0.62146%0.456SS*.Hα-helixtrans-71-37.6175.2-74.5-176.621.600113.6A742 P743 F744 L749 Q750A742-Q746 WeakPolarHBondContact O-CG 3.45Å; A742-Q746 PolarHBondContact O-N 2.86Å; P743-Q746 PolarHBondContact O-N 2.78Å; F744-Q746 PolarHBondContact O-N 3.4Å; Q746-L749 PolarHBondContact O-N 3.01Å; Q746-Q750 WeakPolarHBondContact O-CB 3.4Å; Q746-Q750 VanDerWaalsContact O-CG 3.28Å; Q746-Q750 WeakPolarHBondContact O-CG 3.46Å; Q746-Q750 PolarHBondContact O-N 2.91Å
747I35.4Very low41.1Very low96 Ų9681.5 Ų81.549%0.49244%0.444SS..Hα-helixtrans-69.2-42.3175.3-66.9168.5000110.3P743 F744 Q750 F751P743-I747 WeakPolarHBondContact O-CG1 3.42Å; P743-I747 PolarHBondContact O-N 3.4Å; P743-I747 VanDerWaalsContact O-N 3.16Å; F744-I747 PolarHBondContact O-N 3.3Å; F744-I747 VanDerWaalsContact O-N 3.12Å; I747-Q750 PolarHBondContact O-N 3.31Å; I747-F751 WeakPolarHBondContact O-CB 3.31Å; I747-F751 PolarHBondContact O-N 3Å
748Q36.8Very low41.8Very low59 Ų5982.3 Ų82.328%0.27644%0.442SS..Hα-helixtrans-59.3-48.4172.1-71.6172.3-69.800110.9F744 Q750 F751 I752F744-Q748 WeakPolarHBondContact O-CB 3.18Å; F744-Q748 WeakPolarHBondContact O-CG 3.5Å; F744-Q748 PolarHBondContact O-N 3.1Å; F744-Q748 PolarHBondContact O-OE1 3.18Å; Q748-Q750 VanDerWaalsContact C-N 3.34Å; Q748-Q750 PolarHBondContact O-N 2.89Å; Q748-F751 PolarHBondContact O-N 3.06Å; Q748-F751 VanDerWaalsContact O-N 3.12Å; Q748-I752 HydrophobicContact CB-CD1 4.41Å; Q748-I752 WeakPolarHBondContact O-CB 3.32Å; Q748-I752 VanDerWaalsContact O-CD1 3.23Å; Q748-I752 WeakPolarHBondContact O-CD1 3.47Å; Q748-I752 WeakPolarHBondContact O-CG1 3.48Å; Q748-I752 PolarHBondContact O-N 2.95Å
749L48.1Very low42.4Very low95 Ų9577.6 Ų77.650%0.49741%0.411SS..Hα-helixtrans-60.2-39.4174.8-74.9167.3000112.7G745 Q746 I752 E753G745-L749 VanDerWaalsContact O-CB 3.26Å; G745-L749 WeakPolarHBondContact O-CB 3.35Å; G745-L749 WeakPolarHBondContact O-CD1 3.35Å; G745-L749 WeakPolarHBondContact O-CG 3.49Å; G745-L749 PolarHBondContact O-N 3.14Å; Q746-L749 PolarHBondContact O-N 3.01Å; L749-I752 HydrophobicContact CD2-CD1 4.46Å; L749-E753 VanDerWaalsContact O-CB 3.24Å; L749-E753 WeakPolarHBondContact O-CB 3.38Å; L749-E753 VanDerWaalsContact O-CG 3.31Å; L749-E753 WeakPolarHBondContact O-CG 3.44Å; L749-E753 PolarHBondContact O-N 3.42Å
750Q47.5Very low43.2Very low111 Ų11180.6 Ų80.652%0.51941%0.41SS..Hα-helixtrans-64.6-37.7173.2-78.5-75.2-43.200112.7Q746 I747 Q748 R754Q746-Q750 WeakPolarHBondContact O-CB 3.4Å; Q746-Q750 VanDerWaalsContact O-CG 3.28Å; Q746-Q750 WeakPolarHBondContact O-CG 3.46Å; Q746-Q750 PolarHBondContact O-N 2.91Å; I747-Q750 PolarHBondContact O-N 3.31Å; Q748-Q750 VanDerWaalsContact C-N 3.34Å; Q748-Q750 PolarHBondContact O-N 2.89Å; Q750-R754 WeakPolarHBondContact O-CB 3.23Å; Q750-R754 WeakPolarHBondContact O-CD 3.44Å; Q750-R754 WeakPolarHBondContact O-CG 3.4Å; Q750-R754 PolarHBondContact O-N 2.69Å
751F47.6Very low44.2Very low27 Ų2780.2 Ų80.212%0.11840%0.399CS..Hα-helixtrans-69.6-45.5175.8-176-109000111.6E710 A713 I747 Q748 R754 I755E710-F751 HydrophobicContact CB-CD2 4.38Å; E710-F751 HydrophobicContact CB-CE2 3.68Å; E710-F751 HydrophobicContact CB-CZ 3.86Å; E710-F751 HydrophobicContact CG-CD2 4.06Å; E710-F751 HydrophobicContact CG-CE1 4.47Å; E710-F751 HydrophobicContact CG-CE2 3.82Å; E710-F751 HydrophobicContact CG-CZ 4.04Å; A713-F751 HydrophobicContact CB-CE1 3.93Å; A713-F751 HydrophobicContact CB-CZ 3.93Å; I747-F751 WeakPolarHBondContact O-CB 3.31Å; I747-F751 PolarHBondContact O-N 3Å; Q748-F751 PolarHBondContact O-N 3.06Å; Q748-F751 VanDerWaalsContact O-N 3.12Å; F751-R754 PolarHBondContact O-N 3.44Å; F751-I755 HydrophobicContact CD1-CD1 3.93Å; F751-I755 HydrophobicContact CE1-CD1 3.44Å; F751-I755 VanDerWaalsContact CE1-CD1 3.44Å; F751-I755 HydrophobicContact CE2-CD1 4.31Å; F751-I755 HydrophobicContact CZ-CD1 3.66Å; F751-I755 WeakPolarHBondContact O-CG1 3.46Å; F751-I755 PolarHBondContact O-N 3.41Å
752I51.4Low44.7Very low13 Ų1381.5 Ų81.57%0.06740%0.402CS..Hα-helixtrans-61.7-44.2174.7-61.9154.3000110.5C733 Q748 L749 I755 R756C733-I752 HydrophobicContact CB-CG1 4.39Å; C733-I752 WeakPolarHBondContact O-CD1 3.44Å; Q748-I752 HydrophobicContact CB-CD1 4.41Å; Q748-I752 WeakPolarHBondContact O-CB 3.32Å; Q748-I752 VanDerWaalsContact O-CD1 3.23Å; Q748-I752 WeakPolarHBondContact O-CD1 3.47Å; Q748-I752 WeakPolarHBondContact O-CG1 3.48Å; Q748-I752 PolarHBondContact O-N 2.95Å; L749-I752 HydrophobicContact CD2-CD1 4.46Å; I752-I755 CarbonylContact O-C 3.58Å; I752-I755 PolarHBondContact O-N 2.73Å; I752-R756 HydrophobicContact CG2-CG 4.27Å; I752-R756 WeakPolarHBondContact O-CB 3.5Å; I752-R756 VanDerWaalsContact O-CG 3.26Å; I752-R756 WeakPolarHBondContact O-CG 3.39Å; I752-R756 PolarHBondContact O-N 3.31Å
753E54.5Low45.4Very low67 Ų6781.8 Ų81.831%0.31339%0.389SS..Hα-helixtrans-67.1-35.6176.9-77.4-56.2137.900112.2L749 R756 Q757L749-E753 VanDerWaalsContact O-CB 3.24Å; L749-E753 WeakPolarHBondContact O-CB 3.38Å; L749-E753 VanDerWaalsContact O-CG 3.31Å; L749-E753 WeakPolarHBondContact O-CG 3.44Å; L749-E753 PolarHBondContact O-N 3.42Å; E753-R756 PolarHBondContact O-N 3.45Å; E753-R756 WeakPolarHBondContact OE1-CD 3.45Å; E753-R756 IonicContact OE1-CZ 3.34Å; E753-R756 IonicContact OE1-NE 3.18Å; E753-R756 IonicContact OE1-NH1 2.68Å; E753-R756 PolarHBondContact OE1-NH1 3.19Å; E753-Q757 VanDerWaalsContact O-CB 3.3Å; E753-Q757 WeakPolarHBondContact O-CB 3.23Å; E753-Q757 WeakPolarHBondContact O-CG 3.11Å; E753-Q757 PolarHBondContact O-N 2.89Å
754R52.5Low46Very low153 Ų15381.2 Ų81.258%0.57738%0.382SS*.Hα-helixtrans-64.1-44170.7-74.2164.3-170.8-122.5-1111.6Q750 F751 Q757 I758Q750-R754 WeakPolarHBondContact O-CB 3.23Å; Q750-R754 WeakPolarHBondContact O-CD 3.44Å; Q750-R754 WeakPolarHBondContact O-CG 3.4Å; Q750-R754 PolarHBondContact O-N 2.69Å; F751-R754 PolarHBondContact O-N 3.44Å; R754-Q757 PolarHBondContact O-N 3.44Å; R754-I758 WeakPolarHBondContact O-CB 3.44Å; R754-I758 WeakPolarHBondContact O-CD1 3.16Å; R754-I758 VanDerWaalsContact O-CG1 3.24Å; R754-I758 WeakPolarHBondContact O-CG1 3.34Å; R754-I758 PolarHBondContact O-N 3.09Å
755I50.1Low46.8Very low14 Ų1478.4 Ų78.47%0.07237%0.373CS..Hα-helixtrans-64.9-40.9174.4-66.9176.2000110.8Y717 F725 F751 I752 I758 H759Y717-I755 HydrophobicContact CD2-CG2 4.04Å; Y717-I755 HydrophobicContact CE2-CG2 4.03Å; Y717-I755 HydrophobicContact CG-CG2 4.42Å; F725-I755 HydrophobicContact CE1-CG2 4.33Å; F725-I755 HydrophobicContact CZ-CG2 3.8Å; F751-I755 HydrophobicContact CD1-CD1 3.93Å; F751-I755 HydrophobicContact CE1-CD1 3.44Å; F751-I755 VanDerWaalsContact CE1-CD1 3.44Å; F751-I755 HydrophobicContact CE2-CD1 4.31Å; F751-I755 HydrophobicContact CZ-CD1 3.66Å; F751-I755 WeakPolarHBondContact O-CG1 3.46Å; F751-I755 PolarHBondContact O-N 3.41Å; I752-I755 CarbonylContact O-C 3.58Å; I752-I755 PolarHBondContact O-N 2.73Å; I755-I758 PolarHBondContact O-N 2.91Å; I755-H759 WeakPolarHBondContact O-CB 3.31Å; I755-H759 PolarHBondContact O-N 3.18Å
756R52.8Low47.5Very low125 Ų12583.1 Ų83.147%0.47239%0.39SS..Hα-helixtrans-62.8-40.1174.7-76.5171.2177.5177.81.2111.8I752 E753 H759 H760I752-R756 HydrophobicContact CG2-CG 4.27Å; I752-R756 WeakPolarHBondContact O-CB 3.5Å; I752-R756 VanDerWaalsContact O-CG 3.26Å; I752-R756 WeakPolarHBondContact O-CG 3.39Å; I752-R756 PolarHBondContact O-N 3.31Å; E753-R756 PolarHBondContact O-N 3.45Å; E753-R756 WeakPolarHBondContact OE1-CD 3.45Å; E753-R756 IonicContact OE1-CZ 3.34Å; E753-R756 IonicContact OE1-NE 3.18Å; E753-R756 IonicContact OE1-NH1 2.68Å; E753-R756 PolarHBondContact OE1-NH1 3.19Å; R756-H759 PolarHBondContact O-N 3.48Å; R756-H760 WeakPolarHBondContact O-CB 3.34Å; R756-H760 PolarHBondContact O-N 2.92Å
757Q51.6Low48.2Very low109 Ų10980.7 Ų80.751%0.50938%0.38SS..Hα-helixtrans-67.7-47.2175.9-74165.226.600111.2E753 R754 H759 H760 I761E753-Q757 VanDerWaalsContact O-CB 3.3Å; E753-Q757 WeakPolarHBondContact O-CB 3.23Å; E753-Q757 WeakPolarHBondContact O-CG 3.11Å; E753-Q757 PolarHBondContact O-N 2.89Å; R754-Q757 PolarHBondContact O-N 3.44Å; Q757-H759 VanDerWaalsContact C-N 3.31Å; Q757-H759 PolarHBondContact O-N 2.74Å; Q757-H760 PolarHBondContact O-N 2.86Å; Q757-I761 VanDerWaalsContact O-CB 3.31Å; Q757-I761 WeakPolarHBondContact O-CB 3.35Å; Q757-I761 WeakPolarHBondContact O-CD1 3.42Å; Q757-I761 WeakPolarHBondContact O-CG1 3.36Å; Q757-I761 PolarHBondContact O-N 3.46Å
758I49.9Very low48.7Very low89 Ų8979.4 Ų79.446%0.45637%0.374SS..Hα-helixtrans-58.6-44.9173.4-69163.3000110.4R754 I755 N762R754-I758 WeakPolarHBondContact O-CB 3.44Å; R754-I758 WeakPolarHBondContact O-CD1 3.16Å; R754-I758 VanDerWaalsContact O-CG1 3.24Å; R754-I758 WeakPolarHBondContact O-CG1 3.34Å; R754-I758 PolarHBondContact O-N 3.09Å; I755-I758 PolarHBondContact O-N 2.91Å; I758-N762 VanDerWaalsContact O-CB 3.25Å; I758-N762 WeakPolarHBondContact O-CB 3.37Å; I758-N762 PolarHBondContact O-N 3.22Å; I758-N762 PolarHBondContact O-ND2 3.24Å
759H50.3Low49.3Very low35 Ų3580.6 Ų80.616%0.16238%0.38CS..Hα-helixtrans-61.1-48175.8179.475.8000111.8Y717 E722 I755 R756 Q757 N762 K763Y717-H759 WeakPolarHBondContact OH-CB 3.46Å; Y717-H759 PolarHBondContact OH-ND1 3.04Å; E722-H759 IonicContact OE1-CE1 3.79Å; E722-H759 PolarHBondContact OE1-CE1 2.86Å; E722-H759 IonicContact OE1-NE2 3.59Å; E722-H759 PolarHBondContact OE1-NE2 3.06Å; I755-H759 WeakPolarHBondContact O-CB 3.31Å; I755-H759 PolarHBondContact O-N 3.18Å; R756-H759 PolarHBondContact O-N 3.48Å; Q757-H759 VanDerWaalsContact C-N 3.31Å; Q757-H759 PolarHBondContact O-N 2.74Å; H759-N762 CarbonylContact O-C 3.42Å; H759-N762 PolarHBondContact O-N 3.13Å; H759-K763 VanDerWaalsContact O-CB 3.29Å; H759-K763 WeakPolarHBondContact O-CB 3.42Å; H759-K763 PolarHBondContact O-N 2.94Å
760H49.8Very low49.7Very low118 Ų11880.1 Ų80.155%0.54638%0.377SS..Hα-helixtrans-67.6-40-179-17067.1000111.8R756 Q757 K763 I764R756-H760 WeakPolarHBondContact O-CB 3.34Å; R756-H760 PolarHBondContact O-N 2.92Å; Q757-H760 PolarHBondContact O-N 2.86Å; H760-K763 PolarHBondContact O-N 2.96Å; H760-I764 WeakPolarHBondContact NE2-CD1 3.37Å; H760-I764 WeakPolarHBondContact O-CB 3.5Å; H760-I764 VanDerWaalsContact O-CG1 3.28Å; H760-I764 WeakPolarHBondContact O-CG1 3.28Å; H760-I764 PolarHBondContact O-N 3.33Å
761I48.7Very low50.1Low92 Ų9279.6 Ų79.647%0.47237%0.374SS..Hα-helixtrans-62.7-44.2171.6-70164.7000110.2Q757 K763 I764 N765Q757-I761 VanDerWaalsContact O-CB 3.31Å; Q757-I761 WeakPolarHBondContact O-CB 3.35Å; Q757-I761 WeakPolarHBondContact O-CD1 3.42Å; Q757-I761 WeakPolarHBondContact O-CG1 3.36Å; Q757-I761 PolarHBondContact O-N 3.46Å; I761-K763 PolarHBondContact O-N 3.21Å; I761-I764 PolarHBondContact O-N 3.47Å; I761-N765 VanDerWaalsContact O-CB 3.27Å; I761-N765 WeakPolarHBondContact O-CB 3.49Å; I761-N765 VanDerWaalsContact O-CG 3.22Å; I761-N765 PolarHBondContact O-N 3.45Å; I761-N765 PolarHBondContact O-ND2 2.75Å
762N45.3Very low50.5Low74 Ų7485 Ų8540%0.39639%0.394SS..Hα-helixtrans-65.6-36.7175.8-74.6-13.1000112.3I758 H759 N765 Q766I758-N762 VanDerWaalsContact O-CB 3.25Å; I758-N762 WeakPolarHBondContact O-CB 3.37Å; I758-N762 PolarHBondContact O-N 3.22Å; I758-N762 PolarHBondContact O-ND2 3.24Å; H759-N762 CarbonylContact O-C 3.42Å; H759-N762 PolarHBondContact O-N 3.13Å; N762-N765 PolarHBondContact O-N 3.39Å; N762-Q766 WeakPolarHBondContact O-CB 3.41Å; N762-Q766 WeakPolarHBondContact O-CG 3.43Å; N762-Q766 PolarHBondContact O-N 3.43Å
763K49.2Very low50.6Low80 Ų8088.5 Ų88.535%0.34841%0.412SS..Hα-helixtrans-72.8-38.2176.9-156.6165.6-160.2151.10111.8E722 H759 H760 I761 Q766 I767E722-K763 IonicContact OE1-NZ 3.43Å; E722-K763 PolarHBondContact OE1-NZ 3.46Å; H759-K763 VanDerWaalsContact O-CB 3.29Å; H759-K763 WeakPolarHBondContact O-CB 3.42Å; H759-K763 PolarHBondContact O-N 2.94Å; H760-K763 PolarHBondContact O-N 2.96Å; I761-K763 PolarHBondContact O-N 3.21Å; K763-Q766 PolarHBondContact O-N 2.89Å; K763-I767 HydrophobicContact CG-CD1 4.26Å; K763-I767 VanDerWaalsContact O-CB 3.31Å; K763-I767 WeakPolarHBondContact O-CB 3.28Å; K763-I767 WeakPolarHBondContact O-CD1 3.49Å; K763-I767 WeakPolarHBondContact O-CG1 3.39Å; K763-I767 PolarHBondContact O-N 3.18Å
764I47.1Very low50.8Low69 Ų6989.4 Ų89.435%0.35442%0.416SS..Hα-helixtrans-62-43.9167.8-75.1168.8000110.1H760 I761 I767 N768H760-I764 WeakPolarHBondContact NE2-CD1 3.37Å; H760-I764 WeakPolarHBondContact O-CB 3.5Å; H760-I764 VanDerWaalsContact O-CG1 3.28Å; H760-I764 WeakPolarHBondContact O-CG1 3.28Å; H760-I764 PolarHBondContact O-N 3.33Å; I761-I764 PolarHBondContact O-N 3.47Å; I764-I767 CarbonylContact O-C 3.54Å; I764-I767 PolarHBondContact O-N 3.07Å; I764-N768 WeakPolarHBondContact CG2-ND2 3.47Å; I764-N768 WeakPolarHBondContact O-CB 3.25Å; I764-N768 PolarHBondContact O-N 3.11Å; I764-N768 PolarHBondContact O-ND2 2.94Å
765N45Very low50.9Low71 Ų7187.8 Ų87.838%0.3842%0.415SS..Hα-helixtrans-65.8-39.1177.6-77.4-31.7000112I761 N762 N768 Q769I761-N765 VanDerWaalsContact O-CB 3.27Å; I761-N765 WeakPolarHBondContact O-CB 3.49Å; I761-N765 VanDerWaalsContact O-CG 3.22Å; I761-N765 PolarHBondContact O-N 3.45Å; I761-N765 PolarHBondContact O-ND2 2.75Å; N762-N765 PolarHBondContact O-N 3.39Å; N765-N768 CarbonylContact O-C 3.25Å; N765-N768 PolarHBondContact O-N 3.03Å; N765-Q769 WeakPolarHBondContact O-CB 3.49Å; N765-Q769 VanDerWaalsContact O-CG 3.29Å; N765-Q769 WeakPolarHBondContact O-CG 3.38Å; N765-Q769 PolarHBondContact O-N 3.16Å
766Q47.2Very low51Low116 Ų11692.7 Ų92.754%0.54244%0.442SS..Hα-helixtrans-64.8-45.2170.2-76.6178.91.300111.6N762 K763 N768 Q769 I770N762-Q766 WeakPolarHBondContact O-CB 3.41Å; N762-Q766 WeakPolarHBondContact O-CG 3.43Å; N762-Q766 PolarHBondContact O-N 3.43Å; K763-Q766 PolarHBondContact O-N 2.89Å; Q766-N768 VanDerWaalsContact C-N 3.28Å; Q766-N768 PolarHBondContact O-N 3.46Å; Q766-Q769 CarbonylContact O-C 3.54Å; Q766-Q769 PolarHBondContact O-N 2.86Å; Q766-I770 WeakPolarHBondContact O-CB 3.49Å; Q766-I770 WeakPolarHBondContact O-CG1 3.25Å; Q766-I770 PolarHBondContact O-N 3.37Å
767I51.1Low50.9Low82 Ų8293.4 Ų93.442%0.42145%0.45SS..Hα-helixtrans-64.2-33.5176.5-71.6164.1000111.3K763 I764 H771K763-I767 HydrophobicContact CG-CD1 4.26Å; K763-I767 VanDerWaalsContact O-CB 3.31Å; K763-I767 WeakPolarHBondContact O-CB 3.28Å; K763-I767 WeakPolarHBondContact O-CD1 3.49Å; K763-I767 WeakPolarHBondContact O-CG1 3.39Å; K763-I767 PolarHBondContact O-N 3.18Å; I764-I767 CarbonylContact O-C 3.54Å; I764-I767 PolarHBondContact O-N 3.07Å; I767-H771 VanDerWaalsContact O-CB 3.29Å; I767-H771 WeakPolarHBondContact O-CB 3.32Å; I767-H771 PolarHBondContact O-N 2.85Å; I767-H771 PolarHBondContact O-ND1 3.3Å; I767-H771 VanDerWaalsContact O-ND1 3.14Å
768N47.4Very low50.7Low68 Ų6895.1 Ų95.136%0.36446%0.458SS..Hα-helixtrans-80.7-23.1175.4-72-19.9000112.7I764 N765 Q766 R772I764-N768 WeakPolarHBondContact CG2-ND2 3.47Å; I764-N768 WeakPolarHBondContact O-CB 3.25Å; I764-N768 PolarHBondContact O-N 3.11Å; I764-N768 PolarHBondContact O-ND2 2.94Å; N765-N768 CarbonylContact O-C 3.25Å; N765-N768 PolarHBondContact O-N 3.03Å; Q766-N768 VanDerWaalsContact C-N 3.28Å; Q766-N768 PolarHBondContact O-N 3.46Å; N768-R772 WeakPolarHBondContact O-CB 3.43Å; N768-R772 WeakPolarHBondContact O-CG 3.48Å; N768-R772 PolarHBondContact O-N 2.75Å; N768-R772 PolarHBondContact O-NE 3.49Å
769Q48.4Very low50Low84 Ų8497.6 Ų97.639%0.39347%0.468SS..Hα-helixtrans-74.2-46.2165-77.817917.600109.9N765 Q766 H771 R772 I773N765-Q769 WeakPolarHBondContact O-CB 3.49Å; N765-Q769 VanDerWaalsContact O-CG 3.29Å; N765-Q769 WeakPolarHBondContact O-CG 3.38Å; N765-Q769 PolarHBondContact O-N 3.16Å; Q766-Q769 CarbonylContact O-C 3.54Å; Q766-Q769 PolarHBondContact O-N 2.86Å; Q769-H771 PolarHBondContact O-N 3.2Å; Q769-R772 CarbonylContact O-C 3.6Å; Q769-R772 PolarHBondContact O-N 3.41Å; Q769-I773 VanDerWaalsContact O-CB 3.31Å; Q769-I773 WeakPolarHBondContact O-CB 3.29Å; Q769-I773 WeakPolarHBondContact O-CD1 3.35Å; Q769-I773 WeakPolarHBondContact O-CG1 3.17Å; Q769-I773 PolarHBondContact O-N 3.09Å
770I56.5Low49.2Very low85 Ų85100.5 Ų100.544%0.43649%0.49SS..Hα-helixtrans-62.7-41.8176.8-69163.7000110.7Q766 I773 Q774Q766-I770 WeakPolarHBondContact O-CB 3.49Å; Q766-I770 WeakPolarHBondContact O-CG1 3.25Å; Q766-I770 PolarHBondContact O-N 3.37Å; I770-I773 PolarHBondContact O-N 2.84Å; I770-Q774 HydrophobicContact CG2-CG 4.37Å; I770-Q774 VanDerWaalsContact CG2-NE2 3.34Å; I770-Q774 VanDerWaalsContact O-CB 3.28Å; I770-Q774 WeakPolarHBondContact O-CB 3.18Å; I770-Q774 VanDerWaalsContact O-CG 3.29Å; I770-Q774 WeakPolarHBondContact O-CG 3.42Å; I770-Q774 PolarHBondContact O-N 2.9Å
771H56.4Low48.4Very low101 Ų101103.6 Ų103.647%0.46850%0.504SS..Hα-helixtrans-65.4-39.5172.9-92.496.7000112.3I767 Q769 Q774 Q775I767-H771 VanDerWaalsContact O-CB 3.29Å; I767-H771 WeakPolarHBondContact O-CB 3.32Å; I767-H771 PolarHBondContact O-N 2.85Å; I767-H771 PolarHBondContact O-ND1 3.3Å; I767-H771 VanDerWaalsContact O-ND1 3.14Å; Q769-H771 PolarHBondContact O-N 3.2Å; H771-Q774 PolarHBondContact O-N 3.44Å; H771-Q775 VanDerWaalsContact O-CB 3.26Å; H771-Q775 WeakPolarHBondContact O-CB 3.37Å; H771-Q775 VanDerWaalsContact O-CG 3.24Å; H771-Q775 WeakPolarHBondContact O-CG 3.47Å; H771-Q775 PolarHBondContact O-N 3.42Å
772R54.7Low47.7Very low141 Ų141106.4 Ų106.453%0.53252%0.516SS..Hα-helixtrans-69.8-35.1174.2-79.6178.8-76.4-163.4-2112.4N768 Q769 N776N768-R772 WeakPolarHBondContact O-CB 3.43Å; N768-R772 WeakPolarHBondContact O-CG 3.48Å; N768-R772 PolarHBondContact O-N 2.75Å; N768-R772 PolarHBondContact O-NE 3.49Å; Q769-R772 CarbonylContact O-C 3.6Å; Q769-R772 PolarHBondContact O-N 3.41Å; R772-N776 WeakPolarHBondContact O-CB 3.5Å; R772-N776 PolarHBondContact O-N 3.33Å; R772-N776 PolarHBondContact O-OD1 2.69Å; R772-N776 VanDerWaalsContact O-OD1 3.13Å
773I54.7Low47.2Very low86 Ų86108.9 Ų108.944%0.44152%0.523SS..Hα-helixtrans-68.6-41.1174-70.9163.3000110.1Q769 I770 N776 Q777Q769-I773 VanDerWaalsContact O-CB 3.31Å; Q769-I773 WeakPolarHBondContact O-CB 3.29Å; Q769-I773 WeakPolarHBondContact O-CD1 3.35Å; Q769-I773 WeakPolarHBondContact O-CG1 3.17Å; Q769-I773 PolarHBondContact O-N 3.09Å; I770-I773 PolarHBondContact O-N 2.84Å; I773-N776 CarbonylContact O-C 3.59Å; I773-N776 PolarHBondContact O-N 2.96Å; I773-Q777 VanDerWaalsContact CG2-NE2 3.35Å; I773-Q777 VanDerWaalsContact O-CB 3.29Å; I773-Q777 WeakPolarHBondContact O-CB 3.49Å; I773-Q777 WeakPolarHBondContact O-CG 3.46Å; I773-Q777 PolarHBondContact O-N 2.8Å
774Q57.3Low46.4Very low86 Ų86112.2 Ų112.240%0.40254%0.54SS..Hα-helixtrans-70-41.2174.9-75-174.23500111.8I770 H771 Q777 Q778I770-Q774 HydrophobicContact CG2-CG 4.37Å; I770-Q774 VanDerWaalsContact CG2-NE2 3.34Å; I770-Q774 VanDerWaalsContact O-CB 3.28Å; I770-Q774 WeakPolarHBondContact O-CB 3.18Å; I770-Q774 VanDerWaalsContact O-CG 3.29Å; I770-Q774 WeakPolarHBondContact O-CG 3.42Å; I770-Q774 PolarHBondContact O-N 2.9Å; H771-Q774 PolarHBondContact O-N 3.44Å; Q774-Q777 CarbonylContact O-C 3.56Å; Q774-Q777 PolarHBondContact O-N 3.29Å; Q774-Q777 VanDerWaalsContact O-N 3.09Å; Q774-Q778 WeakPolarHBondContact O-CB 3.45Å; Q774-Q778 WeakPolarHBondContact O-CG 3.4Å; Q774-Q778 PolarHBondContact O-N 3.05Å
775Q54.8Low45.7Very low118 Ų118114.5 Ų114.555%0.55155%0.549SS*.Hα-helixtrans-61.3-44.3172.1-77.2173.8-13.100110.8H771 Q777 Q778 E779H771-Q775 VanDerWaalsContact O-CB 3.26Å; H771-Q775 WeakPolarHBondContact O-CB 3.37Å; H771-Q775 VanDerWaalsContact O-CG 3.24Å; H771-Q775 WeakPolarHBondContact O-CG 3.47Å; H771-Q775 PolarHBondContact O-N 3.42Å; Q775-Q777 PolarHBondContact O-N 2.98Å; Q775-Q778 PolarHBondContact O-N 3.45Å; Q775-E779 PolarHBondContact O-N 3.17Å
776N52.1Low45.4Very low118 Ų118114.6 Ų114.663%0.63155%0.554SS**Hα-helixtrans-73.1-5.3175.1-635.7000114R772 I773R772-N776 WeakPolarHBondContact O-CB 3.5Å; R772-N776 PolarHBondContact O-N 3.33Å; R772-N776 PolarHBondContact O-OD1 2.69Å; R772-N776 VanDerWaalsContact O-OD1 3.13Å; I773-N776 CarbonylContact O-C 3.59Å; I773-N776 PolarHBondContact O-N 2.96Å
777Q51.4Low44.9Very low140 Ų140116.7 Ų116.765%0.65456%0.563SS**Hα-helixtrans-110.1-10.2171.6-73.8177.921.500113.1I773 Q774 Q775I773-Q777 VanDerWaalsContact CG2-NE2 3.35Å; I773-Q777 VanDerWaalsContact O-CB 3.29Å; I773-Q777 WeakPolarHBondContact O-CB 3.49Å; I773-Q777 WeakPolarHBondContact O-CG 3.46Å; I773-Q777 PolarHBondContact O-N 2.8Å; Q774-Q777 CarbonylContact O-C 3.56Å; Q774-Q777 PolarHBondContact O-N 3.29Å; Q774-Q777 VanDerWaalsContact O-N 3.09Å; Q775-Q777 PolarHBondContact O-N 2.98Å
778Q47.4Very low44.2Very low144 Ų144120.4 Ų120.467%0.67358%0.579SS**Hα-helixtrans-107.4-18.4175.9-69.5174.618.900111.8Q774 Q775Q774-Q778 WeakPolarHBondContact O-CB 3.45Å; Q774-Q778 WeakPolarHBondContact O-CG 3.4Å; Q774-Q778 PolarHBondContact O-N 3.05Å; Q775-Q778 PolarHBondContact O-N 3.45Å
779E34.8Very low44Very low142 Ų142121 Ų12166%0.66458%0.581SS**SBendtrans-51130.9145.8-81.9-152.1121.400107.9Q775Q775-E779 PolarHBondContact O-N 3.17Å
780P33.1Very low43.5Very low96 Ų96122.3 Ų122.362%0.62359%0.588SS**  trans-69158.6-160.925.9-35.9000112.9Q782P780-Q782 HydrophobicContact CB-CG 3.92Å; P780-Q782 HydrophobicContact CG-CB 4.43Å; P780-Q782 HydrophobicContact CG-CG 3.79Å; P780-Q782 PolarHBondContact O-N 2.96Å
781Q34.7Very low42.7Very low182 Ų182124.8 Ų124.885%0.8560%0.597SS**THydrogen-bonded Turntrans-67.356.2174.6-59.9172.7-0.100112.3
782Q34Very low41.9Very low152 Ų152129 Ų12971%0.7161%0.609SS**THydrogen-bonded Turntrans-106.9-25.5-174.1-77.3-85.7-72.600112.5P780P780-Q782 HydrophobicContact CB-CG 3.92Å; P780-Q782 HydrophobicContact CG-CB 4.43Å; P780-Q782 HydrophobicContact CG-CG 3.79Å; P780-Q782 PolarHBondContact O-N 2.96Å
783F33Very low41.2Very low125 Ų125126.6 Ų126.655%0.54860%0.604SS.*SBendtrans-125.7141.8175.8-73.9-95.9000110
784Q32.7Very low40.7Very low151 Ų151129.5 Ų129.571%0.70662%0.616SS**  trans67.452.4171.1-54.7172.630.100116.6
785Q33.8Very low39.8Very low116 Ų116134.2 Ų134.254%0.54264%0.635SS.*  trans-67.5144.4139.6-75.1-167.87.500109.1Q787Q785-Q787 PolarHBondContact O-N 2.98Å
786P37.2Very low39.1Very low73 Ų73136 Ų13647%0.47464%0.643SS.*  trans-69.6131.9-178.927.5-34.3000111.5E788 I789 Q790P786-E788 PolarHBondContact O-N 3.43Å; P786-E788 VanDerWaalsContact O-N 3.08Å; P786-I789 HydrophobicContact CG-CB 4.16Å; P786-I789 HydrophobicContact CG-CD1 3.72Å; P786-I789 HydrophobicContact CG-CG1 3.88Å; P786-I789 PolarHBondContact O-N 3.1Å; P786-Q790 PolarHBondContact O-N 2.91Å
787Q36.8Very low38.3Very low160 Ų160135 Ų13575%0.74864%0.635SS**Hα-helixtrans-58.8-26.1-174.7-70.4-179.9-20.900113.6Q785 Q790 Q791Q785-Q787 PolarHBondContact O-N 2.98Å; Q787-Q790 PolarHBondContact O-N 3.22Å; Q787-Q791 PolarHBondContact O-N 3.33Å
788E37.6Very low37.7Very low160 Ų160133 Ų13375%0.74863%0.634SS**Hα-helixtrans-70.6-31.2175.8-62.2-165.9122.100113.6P786 Q790 R792P786-E788 PolarHBondContact O-N 3.43Å; P786-E788 VanDerWaalsContact O-N 3.08Å; E788-Q790 VanDerWaalsContact C-N 3.35Å; E788-R792 WeakPolarHBondContact O-CB 3.27Å; E788-R792 PolarHBondContact O-N 3.25Å
789I41.9Very low37.5Very low81 Ų81133.8 Ų133.842%0.41564%0.638SS.*Hα-helixtrans-72.5-34.4172.3-67.6-175.8000109.9P786 R792 Q793P786-I789 HydrophobicContact CG-CB 4.16Å; P786-I789 HydrophobicContact CG-CD1 3.72Å; P786-I789 HydrophobicContact CG-CG1 3.88Å; P786-I789 PolarHBondContact O-N 3.1Å; I789-R792 PolarHBondContact O-N 3.45Å; I789-Q793 HydrophobicContact CG2-CG 4.07Å; I789-Q793 WeakPolarHBondContact O-CB 3.35Å; I789-Q793 WeakPolarHBondContact O-CG 3.31Å; I789-Q793 PolarHBondContact O-N 3.44Å
790Q39.1Very low37.8Very low112 Ų112134.7 Ų134.752%0.52364%0.642SS.*Hα-helixtrans-70.1-32.9178.1-153.5155.632.200112.2P786 Q787 E788 Q794P786-Q790 PolarHBondContact O-N 2.91Å; Q787-Q790 PolarHBondContact O-N 3.22Å; E788-Q790 VanDerWaalsContact C-N 3.35Å; Q790-Q794 VanDerWaalsContact O-CG 3.25Å; Q790-Q794 WeakPolarHBondContact O-CG 3.29Å; Q790-Q794 PolarHBondContact O-N 3.35Å
791Q40.1Very low38.1Very low136 Ų136137 Ų13764%0.63664%0.642SS**Hα-helixtrans-75.5-35.7169-68.4-171.513.500113.4Q787Q787-Q791 PolarHBondContact O-N 3.33Å
792R38.8Very low38.5Very low190 Ų190134.4 Ų134.472%0.71763%0.63SS**Hα-helixtrans-77.3-30.7179-80.1-172.8164-91.2-2.3114.6E788 I789 F795E788-R792 WeakPolarHBondContact O-CB 3.27Å; E788-R792 PolarHBondContact O-N 3.25Å; I789-R792 PolarHBondContact O-N 3.45Å; R792-F795 PolarHBondContact O-N 3.33Å
793Q40.3Very low39Very low90 Ų90133.4 Ų133.442%0.42163%0.626SS.*Hα-helixtrans-72.1-30.7171.2-70.7-165.454.300112.2I789 F795 Q796 Q797I789-Q793 HydrophobicContact CG2-CG 4.07Å; I789-Q793 WeakPolarHBondContact O-CB 3.35Å; I789-Q793 WeakPolarHBondContact O-CG 3.31Å; I789-Q793 PolarHBondContact O-N 3.44Å; Q793-F795 PolarHBondContact O-N 3.44Å; Q793-F795 VanDerWaalsContact O-N 3.14Å; Q793-Q796 PolarHBondContact O-N 2.83Å; Q793-Q797 PolarHBondContact O-N 2.87Å
794Q43.8Very low39.4Very low148 Ų148138 Ų13869%0.69264%0.639SS**THydrogen-bonded Turntrans-59.5-20.4172.5-84.5176.7-9.100114Q790Q790-Q794 VanDerWaalsContact O-CG 3.25Å; Q790-Q794 WeakPolarHBondContact O-CG 3.29Å; Q790-Q794 PolarHBondContact O-N 3.35Å
795F39.4Very low40.1Very low184 Ų184135 Ų13581%0.80763%0.625SS**THydrogen-bonded Turntrans-108.50.7178.2-84.7-84.5000115.3R792 Q793R792-F795 PolarHBondContact O-N 3.33Å; Q793-F795 PolarHBondContact O-N 3.44Å; Q793-F795 VanDerWaalsContact O-N 3.14Å
796Q38.7Very low40.6Very low156 Ų156134.8 Ų134.873%0.72962%0.624SS**THydrogen-bonded Turntrans-136.18.1-178.2-68.2-165.4-5.400116.4Q793Q793-Q796 PolarHBondContact O-N 2.83Å
797Q35.2Very low40.9Very low98 Ų98140.2 Ų140.246%0.45864%0.641SS.*  trans-125.779.3172-69.4-165.330.200116.3Q793Q793-Q797 PolarHBondContact O-N 2.87Å
798P39.5Very low41.3Very low98 Ų98140 Ų14064%0.63664%0.64SS**SBendtrans-84.6-27.1159.8-15.131.9000114.2
799Q43.1Very low41.8Very low160 Ų160137.2 Ų137.275%0.74863%0.627SS**SBendtrans-99.4-23.8-153.9-70.9-169.7-12.200118.4
800Q41.3Very low42.1Very low161 Ų161137 Ų13775%0.75263%0.63SS**SBendtrans-104.8-26.6-178.1-72.1-151.1-12.300115.5Q802 Q803Q800-Q802 PolarHBondContact O-N 2.93Å; Q800-Q803 PolarHBondContact O-N 3.08Å
801F39.4Very low42.6Very low144 Ų144138.8 Ų138.863%0.63264%0.639SS**Hα-helixtrans-66.7-21.6172.3-115.5-87.3000112.9Q803 Q805F801-Q803 PolarHBondContact O-N 3.38Å; F801-Q805 HydrophobicContact CD1-CG 4.42Å; F801-Q805 WeakPolarHBondContact O-CB 3.44Å; F801-Q805 WeakPolarHBondContact O-CG 3.31Å; F801-Q805 PolarHBondContact O-N 2.98Å
802Q43.7Very low43.4Very low128 Ų128137.6 Ų137.660%0.59863%0.634SS**Hα-helixtrans-68.1-31.2-179.7-151.7164.327.600112.9Q800 Q806Q800-Q802 PolarHBondContact O-N 2.93Å; Q802-Q806 VanDerWaalsContact O-CG 3.22Å; Q802-Q806 WeakPolarHBondContact O-CG 3.37Å; Q802-Q806 PolarHBondContact O-N 3.23Å
803Q43.1Very low44.3Very low130 Ų130134.8 Ų134.861%0.60763%0.627SS**Hα-helixtrans-80.7-39.8-178.3-68.5-173.9-1.700113.9Q800 F801 Q806Q800-Q803 PolarHBondContact O-N 3.08Å; F801-Q803 PolarHBondContact O-N 3.38Å; Q803-Q806 PolarHBondContact O-N 3.01Å
804R41.9Very low45.3Very low221 Ų221136.6 Ų136.683%0.83464%0.635SS**Hα-helixtrans-77.1-25.1176.3-74.9-156.4-74.9-164-2.9113.7
805Q46.5Very low46.3Very low89 Ų89135.8 Ų135.842%0.41663%0.631SS.*Hα-helixtrans-64.5-40.2167.2-81.9-78.6-1500112.1F801 F807 Q808 Q809F801-Q805 HydrophobicContact CD1-CG 4.42Å; F801-Q805 WeakPolarHBondContact O-CB 3.44Å; F801-Q805 WeakPolarHBondContact O-CG 3.31Å; F801-Q805 PolarHBondContact O-N 2.98Å; Q805-F807 PolarHBondContact O-N 3.33Å; Q805-F807 VanDerWaalsContact O-N 3.1Å; Q805-Q808 PolarHBondContact O-N 2.77Å; Q805-Q808 VanDerWaalsContact O-N 3.16Å; Q805-Q809 WeakPolarHBondContact O-CB 3.49Å; Q805-Q809 VanDerWaalsContact O-CG 3.3Å; Q805-Q809 WeakPolarHBondContact O-CG 3.48Å; Q805-Q809 PolarHBondContact O-N 3.48Å
806Q45.9Very low47.6Very low112 Ų112134.4 Ų134.452%0.52362%0.621SS.*Hα-helixtrans-60-20.8-178.4-84.5169.4-13.500115Q802 Q803 P810Q802-Q806 VanDerWaalsContact O-CG 3.22Å; Q802-Q806 WeakPolarHBondContact O-CG 3.37Å; Q802-Q806 PolarHBondContact O-N 3.23Å; Q803-Q806 PolarHBondContact O-N 3.01Å; Q806-P810 WeakPolarHBondContact O-CD 3.46Å; Q806-P810 WeakPolarHBondContact O-CG 3.48Å
807F43.3Very low49.1Very low187 Ų187130.5 Ų130.582%0.8260%0.602SS**THydrogen-bonded Turntrans-91.9-13.3178-83.6-85.2000115.4Q805Q805-F807 PolarHBondContact O-N 3.33Å; Q805-F807 VanDerWaalsContact O-N 3.1Å
808Q45.8Very low50.8Low156 Ų156130.8 Ų130.873%0.72960%0.604SS**THydrogen-bonded Turntrans-110.7-22.3173.9-67.9-171.4400113.4Q805Q805-Q808 PolarHBondContact O-N 2.77Å; Q805-Q808 VanDerWaalsContact O-N 3.16Å
809Q48.1Very low52.1Low100 Ų100132.1 Ų132.147%0.46760%0.6SS.*Hα-helixtrans-58.8-32.2174-76-178.3800115.3Q805 Q811 Q812 F813Q805-Q809 WeakPolarHBondContact O-CB 3.49Å; Q805-Q809 VanDerWaalsContact O-CG 3.3Å; Q805-Q809 WeakPolarHBondContact O-CG 3.48Å; Q805-Q809 PolarHBondContact O-N 3.48Å; Q809-Q811 PolarHBondContact O-N 3.05Å; Q809-Q812 PolarHBondContact O-N 2.87Å; Q809-F813 WeakPolarHBondContact O-CB 3.27Å; Q809-F813 PolarHBondContact O-N 3.35Å
810P46.6Very low53.2Low76 Ų76130.1 Ų130.149%0.49459%0.591SS.*Hα-helixtrans-56.7-48.2-179.8-28.836.6000113.5Q806 Q814Q806-P810 WeakPolarHBondContact O-CD 3.46Å; Q806-P810 WeakPolarHBondContact O-CG 3.48Å; P810-Q814 WeakPolarHBondContact O-CB 3.46Å; P810-Q814 PolarHBondContact O-N 2.92Å
811Q51.2Low54.4Low150 Ų150127.1 Ų127.170%0.70158%0.577SS**Hα-helixtrans-69-43.5180-70.7-172.4-7.100112.3Q809 F813 Q814 Q815Q809-Q811 PolarHBondContact O-N 3.05Å; Q811-F813 VanDerWaalsContact C-N 3.34Å; Q811-F813 PolarHBondContact O-N 3.5Å; Q811-Q814 PolarHBondContact O-N 3.32Å; Q811-Q815 WeakPolarHBondContact O-CB 3.5Å; Q811-Q815 WeakPolarHBondContact O-CG 3.49Å; Q811-Q815 PolarHBondContact O-N 3.5Å
812Q55.4Low55.6Low112 Ų112127.2 Ų127.252%0.52357%0.573SS.*Hα-helixtrans-67.3-32178-86.3-111.4-11.600113.2Q809 R816Q809-Q812 PolarHBondContact O-N 2.87Å; Q812-R816 WeakPolarHBondContact O-CB 3.29Å; Q812-R816 PolarHBondContact O-N 2.94Å; Q812-R816 VanDerWaalsContact O-N 3.15Å
813F57.8Low56.4Low131 Ų131124.9 Ų124.958%0.57556%0.562SS**Hα-helixtrans-74.9-41.2174.1-169.3-97.2000111.1Q809 Q811 R816 Q817Q809-F813 WeakPolarHBondContact O-CB 3.27Å; Q809-F813 PolarHBondContact O-N 3.35Å; Q811-F813 VanDerWaalsContact C-N 3.34Å; Q811-F813 PolarHBondContact O-N 3.5Å; F813-R816 PolarHBondContact O-N 3.48Å; F813-Q817 HydrophobicContact CD1-CG 4.01Å; F813-Q817 HydrophobicContact CE1-CG 3.81Å; F813-Q817 HydrophobicContact CZ-CG 4.39Å; F813-Q817 WeakPolarHBondContact O-CB 3.29Å; F813-Q817 WeakPolarHBondContact O-CG 3.34Å; F813-Q817 PolarHBondContact O-N 2.89Å
814Q62.8Low57.2Low128 Ų128125.3 Ų125.360%0.59856%0.564SS**Hα-helixtrans-68.5-37.2178.1-162.9166.627.700112.3P810 Q811 Q817 Q818P810-Q814 WeakPolarHBondContact O-CB 3.46Å; P810-Q814 PolarHBondContact O-N 2.92Å; Q811-Q814 PolarHBondContact O-N 3.32Å; Q814-Q817 PolarHBondContact O-N 2.86Å; Q814-Q818 WeakPolarHBondContact O-CG 3.4Å; Q814-Q818 PolarHBondContact O-N 2.89Å
815Q64Low57.9Low130 Ų130122.2 Ų122.261%0.60756%0.556SS**Hα-helixtrans-65-41.6169.3-74.4-173.68.300112.2Q811 Q818 F819Q811-Q815 WeakPolarHBondContact O-CB 3.5Å; Q811-Q815 WeakPolarHBondContact O-CG 3.49Å; Q811-Q815 PolarHBondContact O-N 3.5Å; Q815-Q818 PolarHBondContact O-N 2.86Å; Q815-F819 WeakPolarHBondContact O-CB 3.2Å; Q815-F819 PolarHBondContact O-N 2.9Å
816R66.6Low58.3Low156 Ų156122.2 Ų122.259%0.58956%0.557SS**Hα-helixtrans-62-45.1174-106.4175.5-85.8-155.7-8.8112.1Q812 F813 F819 Q820Q812-R816 WeakPolarHBondContact O-CB 3.29Å; Q812-R816 PolarHBondContact O-N 2.94Å; Q812-R816 VanDerWaalsContact O-N 3.15Å; F813-R816 PolarHBondContact O-N 3.48Å; R816-F819 PolarHBondContact O-N 3.39Å; R816-Q820 VanDerWaalsContact O-CB 3.29Å; R816-Q820 WeakPolarHBondContact O-CB 3.44Å; R816-Q820 PolarHBondContact O-N 2.89Å
817Q70.8Confident58.8Low73 Ų73122.6 Ų122.634%0.34156%0.558SS.*Hα-helixtrans-58-48.1173.9-78.1-72.4-16.900111.7F813 Q814 F819 Q820 Q821F813-Q817 HydrophobicContact CD1-CG 4.01Å; F813-Q817 HydrophobicContact CE1-CG 3.81Å; F813-Q817 HydrophobicContact CZ-CG 4.39Å; F813-Q817 WeakPolarHBondContact O-CB 3.29Å; F813-Q817 WeakPolarHBondContact O-CG 3.34Å; F813-Q817 PolarHBondContact O-N 2.89Å; Q814-Q817 PolarHBondContact O-N 2.86Å; Q817-F819 VanDerWaalsContact C-N 3.32Å; Q817-F819 PolarHBondContact O-N 3.25Å; Q817-Q820 PolarHBondContact O-N 2.9Å; Q817-Q821 WeakPolarHBondContact O-CB 3.45Å; Q817-Q821 VanDerWaalsContact O-CG 3.3Å; Q817-Q821 WeakPolarHBondContact O-CG 3.49Å; Q817-Q821 PolarHBondContact O-N 3.22Å
818Q69.5Low59.3Low105 Ų105117.2 Ų117.249%0.49154%0.542SS..Hα-helixtrans-65.8-29.9176.2-76-171.4-7.900113.8Q814 Q815 R822Q814-Q818 WeakPolarHBondContact O-CG 3.4Å; Q814-Q818 PolarHBondContact O-N 2.89Å; Q815-Q818 PolarHBondContact O-N 2.86Å; Q818-R822 WeakPolarHBondContact O-CB 3.36Å; Q818-R822 WeakPolarHBondContact O-CG 3.15Å; Q818-R822 PolarHBondContact O-N 3.18Å; Q818-R822 VanDerWaalsContact O-N 3.14Å; Q818-R822 PolarHBondContact O-NE 3.04Å
819F67.5Low59.8Low126 Ų126115.8 Ų115.855%0.55354%0.535SS*.Hα-helixtrans-72.6-43.6173.5-166.2-92000111.2Q815 R816 Q817 R822 Q823Q815-F819 WeakPolarHBondContact O-CB 3.2Å; Q815-F819 PolarHBondContact O-N 2.9Å; R816-F819 PolarHBondContact O-N 3.39Å; Q817-F819 VanDerWaalsContact C-N 3.32Å; Q817-F819 PolarHBondContact O-N 3.25Å; F819-R822 PolarHBondContact O-N 2.84Å; F819-Q823 HydrophobicContact CD1-CG 4.16Å; F819-Q823 HydrophobicContact CE1-CG 3.99Å; F819-Q823 WeakPolarHBondContact O-CG 3.38Å; F819-Q823 PolarHBondContact O-N 2.78Å
820Q66.3Low60.2Low118 Ų118116.2 Ų116.255%0.55154%0.538SS*.Hα-helixtrans-70.1-37.6-178.6-154.8159.633.800111.9R816 Q817 Q823 Q824R816-Q820 VanDerWaalsContact O-CB 3.29Å; R816-Q820 WeakPolarHBondContact O-CB 3.44Å; R816-Q820 PolarHBondContact O-N 2.89Å; Q817-Q820 PolarHBondContact O-N 2.9Å; Q820-Q823 PolarHBondContact O-N 3.2Å; Q820-Q824 WeakPolarHBondContact O-CG 3.25Å; Q820-Q824 PolarHBondContact O-N 3.35Å
821Q66.3Low60.8Low98 Ų98118.6 Ų118.646%0.45854%0.542SS..Hα-helixtrans-64.8-43.9169-71.1176.518.300111.7Q817 Q823 Q824 F825Q817-Q821 WeakPolarHBondContact O-CB 3.45Å; Q817-Q821 VanDerWaalsContact O-CG 3.3Å; Q817-Q821 WeakPolarHBondContact O-CG 3.49Å; Q817-Q821 PolarHBondContact O-N 3.22Å; Q821-Q823 VanDerWaalsContact C-N 3.29Å; Q821-Q823 PolarHBondContact O-N 3.43Å; Q821-Q824 PolarHBondContact O-N 2.68Å; Q821-Q824 VanDerWaalsContact O-N 3.17Å; Q821-F825 WeakPolarHBondContact O-CD2 3.24Å; Q821-F825 PolarHBondContact O-N 2.68Å
822R64Low61.2Low146 Ų146115.7 Ų115.755%0.55154%0.535SS*.Hα-helixtrans-60.7-37.3174.7-83.5-174.8-74.5-161.6-0.8112.6Q818 F819 Q826Q818-R822 WeakPolarHBondContact O-CB 3.36Å; Q818-R822 WeakPolarHBondContact O-CG 3.15Å; Q818-R822 PolarHBondContact O-N 3.18Å; Q818-R822 VanDerWaalsContact O-N 3.14Å; Q818-R822 PolarHBondContact O-NE 3.04Å; F819-R822 PolarHBondContact O-N 2.84Å; R822-Q826 WeakPolarHBondContact O-CB 3.35Å; R822-Q826 VanDerWaalsContact O-CG 3.28Å; R822-Q826 WeakPolarHBondContact O-CG 3.37Å; R822-Q826 PolarHBondContact O-N 3.46Å
823Q60.8Low61.3Low79 Ų79115.4 Ų115.437%0.36953%0.533SS..Hα-helixtrans-64-46.9172.1-72.7-69.6-14.700112F819 Q820 Q821 F825 Q826 Q827F819-Q823 HydrophobicContact CD1-CG 4.16Å; F819-Q823 HydrophobicContact CE1-CG 3.99Å; F819-Q823 WeakPolarHBondContact O-CG 3.38Å; F819-Q823 PolarHBondContact O-N 2.78Å; Q820-Q823 PolarHBondContact O-N 3.2Å; Q821-Q823 VanDerWaalsContact C-N 3.29Å; Q821-Q823 PolarHBondContact O-N 3.43Å; Q823-F825 VanDerWaalsContact C-N 3.32Å; Q823-F825 PolarHBondContact O-N 2.91Å; Q823-Q826 PolarHBondContact O-N 3.01Å; Q823-Q827 PolarHBondContact O-N 3.35Å; Q823-Q827 VanDerWaalsContact O-N 3.09Å
824Q60.4Low61.4Low138 Ų138115.3 Ų115.365%0.64554%0.535SS*.Hα-helixtrans-63.6-32.2177.9-76.3-177.2-19.400113.7Q820 Q821 P828Q820-Q824 WeakPolarHBondContact O-CG 3.25Å; Q820-Q824 PolarHBondContact O-N 3.35Å; Q821-Q824 PolarHBondContact O-N 2.68Å; Q821-Q824 VanDerWaalsContact O-N 3.17Å; Q824-P828 WeakPolarHBondContact O-CD 3.32Å
825F55.5Low61.2Low156 Ų156118.4 Ų118.468%0.68454%0.541SS*.Hα-helixtrans-80.5-24.1173.9-83.1-75.6000114Q821 Q823Q821-F825 WeakPolarHBondContact O-CD2 3.24Å; Q821-F825 PolarHBondContact O-N 2.68Å; Q823-F825 VanDerWaalsContact C-N 3.32Å; Q823-F825 PolarHBondContact O-N 2.91Å
826Q55.1Low61Low90 Ų90116.2 Ų116.242%0.42154%0.537SS..Hα-helixtrans-82.5-35.4178-76.5-17820.600113.8R822 Q823 Q829 Q830R822-Q826 WeakPolarHBondContact O-CB 3.35Å; R822-Q826 VanDerWaalsContact O-CG 3.28Å; R822-Q826 WeakPolarHBondContact O-CG 3.37Å; R822-Q826 PolarHBondContact O-N 3.46Å; Q823-Q826 PolarHBondContact O-N 3.01Å; Q826-Q829 PolarHBondContact O-N 2.96Å; Q826-Q830 PolarHBondContact O-N 3.11Å
827Q56.4Low60.9Low119 Ų119117.2 Ų117.256%0.55654%0.54SS*.Hα-helixtrans-58.1-45-178.2-73.5-177.911.300113.9Q823 Q829 Q830 Q831Q823-Q827 PolarHBondContact O-N 3.35Å; Q823-Q827 VanDerWaalsContact O-N 3.09Å; Q827-Q829 PolarHBondContact O-N 3.45Å; Q827-Q830 PolarHBondContact O-N 2.88Å; Q827-Q831 PolarHBondContact O-N 3.49Å; Q827-Q831 VanDerWaalsContact O-N 3.12Å
828P53.5Low60.6Low75 Ų75116.5 Ų116.549%0.48754%0.544SS..Hα-helixtrans-61.5-42.5174.4-23.734.4000112.5Q824 Q830 Q831 T832Q824-P828 WeakPolarHBondContact O-CD 3.32Å; P828-Q830 PolarHBondContact O-N 3.26Å; P828-Q831 PolarHBondContact O-N 3.03Å; P828-T832 PolarHBondContact O-N 2.67Å; P828-T832 PolarHBondContact O-OG1 3.02Å
829Q56.1Low60.4Low125 Ų125117.9 Ų117.958%0.58455%0.548SS*.Hα-helixtrans-65.9-38-179.4-68.5-168.6-0.800112.5Q826 Q827 T832 Q833Q826-Q829 PolarHBondContact O-N 2.96Å; Q827-Q829 PolarHBondContact O-N 3.45Å; Q829-T832 PolarHBondContact O-N 2.96Å; Q829-Q833 WeakPolarHBondContact O-CG 3.41Å; Q829-Q833 PolarHBondContact O-N 3.06Å
830Q58.3Low60.6Low110 Ų110114.8 Ų114.851%0.51454%0.542SS..Hα-helixtrans-66.8-40174.9-68.6-171.224.600111.8Q826 Q827 P828 Q833 Q834Q826-Q830 PolarHBondContact O-N 3.11Å; Q827-Q830 PolarHBondContact O-N 2.88Å; P828-Q830 PolarHBondContact O-N 3.26Å; Q830-Q833 PolarHBondContact O-N 2.96Å; Q830-Q834 WeakPolarHBondContact O-CB 3.4Å; Q830-Q834 WeakPolarHBondContact O-CG 3.24Å; Q830-Q834 PolarHBondContact O-N 3.4Å
831Q58.4Low60.8Low125 Ų125112.7 Ų112.758%0.58454%0.541SS*.Hα-helixtrans-65.5-38.3173.4-71.1-170.88.700112.5Q827 P828 Q834 R835Q827-Q831 PolarHBondContact O-N 3.49Å; Q827-Q831 VanDerWaalsContact O-N 3.12Å; P828-Q831 PolarHBondContact O-N 3.03Å; Q831-Q834 PolarHBondContact O-N 3.43Å; Q831-R835 PolarHBondContact O-N 3.08Å
832T58.6Low61.3Low89 Ų89113.8 Ų113.855%0.54655%0.546SS..Hα-helixtrans-63.5-44.7173.5-56.30000111.2P828 Q829 Q834 R835 T836P828-T832 PolarHBondContact O-N 2.67Å; P828-T832 PolarHBondContact O-OG1 3.02Å; Q829-T832 PolarHBondContact O-N 2.96Å; T832-Q834 PolarHBondContact O-N 3.17Å; T832-R835 PolarHBondContact O-N 3.49Å; T832-T836 PolarHBondContact O-N 3.43Å; T832-T836 PolarHBondContact O-OG1 3.27Å
833Q58.7Low61.8Low106 Ų106112.4 Ų112.450%0.49555%0.547SS..Hα-helixtrans-64.4-38.2176.5-74-171.432.100112.7Q829 Q830 T836 R837Q829-Q833 WeakPolarHBondContact O-CG 3.41Å; Q829-Q833 PolarHBondContact O-N 3.06Å; Q830-Q833 PolarHBondContact O-N 2.96Å; Q833-T836 WeakPolarHBondContact CA-OG1 3.39Å; Q833-T836 PolarHBondContact O-N 3.42Å; Q833-T836 PolarHBondContact O-OG1 2.9Å; Q833-R837 WeakPolarHBondContact O-CB 3.32Å; Q833-R837 VanDerWaalsContact O-CG 3.31Å; Q833-R837 WeakPolarHBondContact O-CG 3.46Å; Q833-R837 PolarHBondContact O-N 3.38Å
834Q59.7Low62.4Low130 Ų130113.8 Ų113.861%0.60755%0.553SS**Hα-helixtrans-65.8-44.5173.9-74.3179.85.600111.5Q830 Q831 T832 T836 R837 S838Q830-Q834 WeakPolarHBondContact O-CB 3.4Å; Q830-Q834 WeakPolarHBondContact O-CG 3.24Å; Q830-Q834 PolarHBondContact O-N 3.4Å; Q831-Q834 PolarHBondContact O-N 3.43Å; T832-Q834 PolarHBondContact O-N 3.17Å; Q834-T836 PolarHBondContact O-N 3.47Å; Q834-R837 PolarHBondContact O-N 3.38Å; Q834-S838 PolarHBondContact O-N 3.39Å; Q834-S838 PolarHBondContact O-OG 2.8Å
835R58.1Low63.1Low192 Ų192112 Ų11273%0.72555%0.545SS*.Hα-helixtrans-60.6-42.5173.5-78.9-167.7-178.3-151.42.6112.7Q831 T832 R837 S838 F839Q831-R835 PolarHBondContact O-N 3.08Å; T832-R835 PolarHBondContact O-N 3.49Å; R835-R837 VanDerWaalsContact C-N 3.32Å; R835-R837 PolarHBondContact O-N 3.01Å; R835-S838 PolarHBondContact O-N 3.06Å; R835-S838 PolarHBondContact O-OG 2.8Å; R835-S838 VanDerWaalsContact O-OG 3.04Å; R835-F839 VanDerWaalsContact O-CB 3.25Å; R835-F839 WeakPolarHBondContact O-CB 3.37Å; R835-F839 PolarHBondContact O-N 2.97Å
836T59.9Low64.2Low85 Ų85110.3 Ų110.352%0.52154%0.541SS..Hα-helixtrans-67.7-33.217751.20000112.3T832 Q833 Q834 S840T832-T836 PolarHBondContact O-N 3.43Å; T832-T836 PolarHBondContact O-OG1 3.27Å; Q833-T836 WeakPolarHBondContact CA-OG1 3.39Å; Q833-T836 PolarHBondContact O-N 3.42Å; Q833-T836 PolarHBondContact O-OG1 2.9Å; Q834-T836 PolarHBondContact O-N 3.47Å; T836-S840 WeakPolarHBondContact O-CB 3.39Å; T836-S840 PolarHBondContact O-N 3.19Å
837R64.5Low65Low176 Ų176108.2 Ų108.266%0.66454%0.539SS*.Hα-helixtrans-71.6-39.1174.2-74.8178.6-174.7-1603.3112.6Q833 Q834 R835 S841Q833-R837 WeakPolarHBondContact O-CB 3.32Å; Q833-R837 VanDerWaalsContact O-CG 3.31Å; Q833-R837 WeakPolarHBondContact O-CG 3.46Å; Q833-R837 PolarHBondContact O-N 3.38Å; Q834-R837 PolarHBondContact O-N 3.38Å; R835-R837 VanDerWaalsContact C-N 3.32Å; R835-R837 PolarHBondContact O-N 3.01Å; R837-S841 WeakPolarHBondContact O-CB 3.28Å; R837-S841 PolarHBondContact O-N 3.29Å; R837-S841 PolarHBondContact O-OG 2.94Å
838S63.8Low65.9Low59 Ų59109.8 Ų109.841%0.41354%0.54SS..Hα-helixtrans-67.3-49.2175.968.50000110.7Q834 R835 S840 S841 E842Q834-S838 PolarHBondContact O-N 3.39Å; Q834-S838 PolarHBondContact O-OG 2.8Å; R835-S838 PolarHBondContact O-N 3.06Å; R835-S838 PolarHBondContact O-OG 2.8Å; R835-S838 VanDerWaalsContact O-OG 3.04Å; S838-S840 VanDerWaalsContact C-N 3.32Å; S838-S840 PolarHBondContact O-N 3.42Å; S838-S841 WeakPolarHBondContact O-CA 3.33Å; S838-S841 WeakPolarHBondContact O-CB 3.43Å; S838-S841 PolarHBondContact O-N 3.17Å; S838-E842 WeakPolarHBondContact O-CG 3.28Å; S838-E842 PolarHBondContact O-N 3.11Å
839F67.1Low66.9Low133 Ų133111.9 Ų111.958%0.58354%0.541SS*.Hα-helixtrans-63.3-36.5179.8-154.2-102.4000112.2R835 M843R835-F839 VanDerWaalsContact O-CB 3.25Å; R835-F839 WeakPolarHBondContact O-CB 3.37Å; R835-F839 PolarHBondContact O-N 2.97Å; F839-M843 HydrophobicContact CD1-CE 3.89Å; F839-M843 HydrophobicContact CE1-CE 3.74Å; F839-M843 VanDerWaalsContact O-CB 3.22Å; F839-M843 WeakPolarHBondContact O-CB 3.42Å; F839-M843 PolarHBondContact O-N 2.8Å
840S69.8Low67.6Low61 Ų61111.1 Ų111.143%0.42754%0.539SS..Hα-helixtrans-66-38.1171.9-175.60000112.7T836 S838 Q844T836-S840 WeakPolarHBondContact O-CB 3.39Å; T836-S840 PolarHBondContact O-N 3.19Å; S838-S840 VanDerWaalsContact C-N 3.32Å; S838-S840 PolarHBondContact O-N 3.42Å; S840-Q844 WeakPolarHBondContact O-CB 3.43Å; S840-Q844 WeakPolarHBondContact O-CG 3.45Å; S840-Q844 PolarHBondContact O-N 3.35Å
841S71.6Confident67.9Low74 Ų74109.2 Ų109.252%0.51754%0.538SS..Hα-helixtrans-68.6-45.7176.3-56.80000112R837 S838 M843 Q844 E845R837-S841 WeakPolarHBondContact O-CB 3.28Å; R837-S841 PolarHBondContact O-N 3.29Å; R837-S841 PolarHBondContact O-OG 2.94Å; S838-S841 WeakPolarHBondContact O-CA 3.33Å; S838-S841 WeakPolarHBondContact O-CB 3.43Å; S838-S841 PolarHBondContact O-N 3.17Å; S841-M843 VanDerWaalsContact C-N 3.34Å; S841-M843 PolarHBondContact O-N 2.66Å; S841-Q844 PolarHBondContact O-N 2.97Å; S841-E845 PolarHBondContact O-N 3.04Å
842E76.2Confident68Low122 Ų122112.6 Ų112.657%0.5755%0.545SS*.Hα-helixtrans-60.5-42.8175.2-70.5173.9138.600111.3S838 E845 M846S838-E842 WeakPolarHBondContact O-CG 3.28Å; S838-E842 PolarHBondContact O-N 3.11Å; E842-E845 PolarHBondContact O-N 3.41Å; E842-M846 WeakPolarHBondContact O-CB 3.44Å; E842-M846 PolarHBondContact O-N 3.48Å
843M74.3Confident68.1Low116 Ų116112.9 Ų112.957%0.57155%0.547SS*.Hα-helixtrans-67.8-38.2177.3-164.7-174-59.500112.1F839 S841 A847F839-M843 HydrophobicContact CD1-CE 3.89Å; F839-M843 HydrophobicContact CE1-CE 3.74Å; F839-M843 VanDerWaalsContact O-CB 3.22Å; F839-M843 WeakPolarHBondContact O-CB 3.42Å; F839-M843 PolarHBondContact O-N 2.8Å; S841-M843 VanDerWaalsContact C-N 3.34Å; S841-M843 PolarHBondContact O-N 2.66Å; M843-A847 VanDerWaalsContact O-CB 3.3Å; M843-A847 WeakPolarHBondContact O-CB 2.98Å; M843-A847 PolarHBondContact O-N 3.18Å
844Q74.4Confident67.8Low108 Ų108114.5 Ų114.551%0.50556%0.558SS.*Hα-helixtrans-65.8-37.8171.5-78.8-170.319.600112.5S840 S841 R848S840-Q844 WeakPolarHBondContact O-CB 3.43Å; S840-Q844 WeakPolarHBondContact O-CG 3.45Å; S840-Q844 PolarHBondContact O-N 3.35Å; S841-Q844 PolarHBondContact O-N 2.97Å; Q844-R848 WeakPolarHBondContact O-CB 3.14Å; Q844-R848 VanDerWaalsContact O-CG 3.31Å; Q844-R848 WeakPolarHBondContact O-CG 3.41Å; Q844-R848 PolarHBondContact O-N 2.96Å
845E75.8Confident67.4Low101 Ų101114.9 Ų114.947%0.47256%0.564SS.*Hα-helixtrans-72.4-37.7177-163.4178.5127.300111.9S841 E842 R848 K849S841-E845 PolarHBondContact O-N 3.04Å; E842-E845 PolarHBondContact O-N 3.41Å; E845-R848 PolarHBondContact O-N 3.4Å; E845-K849 HydrophobicContact CG-CD 4.45Å; E845-K849 WeakPolarHBondContact O-CB 3.5Å; E845-K849 WeakPolarHBondContact O-CG 3.45Å; E845-K849 PolarHBondContact O-N 3.48Å; E845-K849 WeakPolarHBondContact OE1-CE 3.26Å; E845-K849 IonicContact OE1-NZ 2.61Å; E845-K849 PolarHBondContact OE1-NZ 3.44Å
846M77.1Confident66.9Low121 Ų121108.5 Ų108.560%0.59656%0.557SS**Hα-helixtrans-63.3-42.5171.9-171.8-179.6-72.300111.3E842 K849 M850E842-M846 WeakPolarHBondContact O-CB 3.44Å; E842-M846 PolarHBondContact O-N 3.48Å; M846-K849 PolarHBondContact O-N 3.3Å; M846-M850 HydrophobicContact CG-CE 4.31Å; M846-M850 PolarHBondContact O-N 3.38Å
847A73.3Confident66.4Low45 Ų45112.7 Ų112.737%0.37257%0.57SS.*Hα-helixtrans-60.1-47.6172.500000111.4M843 K849 M850 S851M843-A847 VanDerWaalsContact O-CB 3.3Å; M843-A847 WeakPolarHBondContact O-CB 2.98Å; M843-A847 PolarHBondContact O-N 3.18Å; A847-K849 VanDerWaalsContact C-N 3.32Å; A847-K849 PolarHBondContact O-N 3.2Å; A847-M850 PolarHBondContact O-N 3.38Å; A847-S851 WeakPolarHBondContact O-CB 3.43Å; A847-S851 PolarHBondContact O-N 2.78Å; A847-S851 PolarHBondContact O-OG 3.17Å; A847-S851 VanDerWaalsContact O-OG 3.05Å
848R75Confident65.2Low153 Ų153115.2 Ų115.258%0.57758%0.58SS**Hα-helixtrans-59.9-38.2174.6-75.9172.5179.4151.83.7112.8Q844 E845 R852Q844-R848 WeakPolarHBondContact O-CB 3.14Å; Q844-R848 VanDerWaalsContact O-CG 3.31Å; Q844-R848 WeakPolarHBondContact O-CG 3.41Å; Q844-R848 PolarHBondContact O-N 2.96Å; E845-R848 PolarHBondContact O-N 3.4Å; R848-R852 WeakPolarHBondContact O-CG 3.28Å; R848-R852 PolarHBondContact O-N 3.45Å
849K75.2Confident64Low119 Ų119121.5 Ų121.552%0.51760%0.603SS.*Hα-helixtrans-65.4-50.4175.3-76.5169.4-176.7166.60110.6E845 M846 A847 S851 R852 T853E845-K849 HydrophobicContact CG-CD 4.45Å; E845-K849 WeakPolarHBondContact O-CB 3.5Å; E845-K849 WeakPolarHBondContact O-CG 3.45Å; E845-K849 PolarHBondContact O-N 3.48Å; E845-K849 WeakPolarHBondContact OE1-CE 3.26Å; E845-K849 IonicContact OE1-NZ 2.61Å; E845-K849 PolarHBondContact OE1-NZ 3.44Å; M846-K849 PolarHBondContact O-N 3.3Å; A847-K849 VanDerWaalsContact C-N 3.32Å; A847-K849 PolarHBondContact O-N 3.2Å; K849-S851 PolarHBondContact O-N 3.4Å; K849-R852 PolarHBondContact O-N 3.34Å; K849-R852 VanDerWaalsContact O-N 3.1Å; K849-T853 PolarHBondContact O-N 3.44Å; K849-T853 PolarHBondContact O-OG1 3.3Å; K849-T853 VanDerWaalsContact O-OG1 3.06Å
850M69.2Low62.6Low109 Ų109124.4 Ų124.454%0.53762%0.618SS.*Hα-helixtrans-60.3-40.9175.6-71-165.6-69.400112.6M846 A847 R852 T853 L854M846-M850 HydrophobicContact CG-CE 4.31Å; M846-M850 PolarHBondContact O-N 3.38Å; A847-M850 PolarHBondContact O-N 3.38Å; M850-R852 VanDerWaalsContact C-N 3.32Å; M850-R852 PolarHBondContact O-N 2.65Å; M850-T853 PolarHBondContact O-N 2.96Å; M850-L854 WeakPolarHBondContact O-CB 3.43Å; M850-L854 WeakPolarHBondContact O-CG 3.19Å; M850-L854 PolarHBondContact O-N 3.48Å
851S65.3Low61.1Low70 Ų70129.8 Ų129.849%0.4964%0.637SS.*Hα-helixtrans-61.4-37.6173.8-60.60000112.6A847 K849 L855A847-S851 WeakPolarHBondContact O-CB 3.43Å; A847-S851 PolarHBondContact O-N 2.78Å; A847-S851 PolarHBondContact O-OG 3.17Å; A847-S851 VanDerWaalsContact O-OG 3.05Å; K849-S851 PolarHBondContact O-N 3.4Å; S851-L855 WeakPolarHBondContact O-CB 3.37Å; S851-L855 WeakPolarHBondContact O-CD1 3.3Å; S851-L855 PolarHBondContact O-N 3.5Å
852R61.3Low59.8Low196 Ų196134.5 Ų134.574%0.7465%0.65SS**Hα-helixtrans-68.6-42.8174.4-74.4174.4-179.1-1750.3111.9R848 K849 M850 L854 L855 G856R848-R852 WeakPolarHBondContact O-CG 3.28Å; R848-R852 PolarHBondContact O-N 3.45Å; K849-R852 PolarHBondContact O-N 3.34Å; K849-R852 VanDerWaalsContact O-N 3.1Å; M850-R852 VanDerWaalsContact C-N 3.32Å; M850-R852 PolarHBondContact O-N 2.65Å; R852-L854 VanDerWaalsContact C-N 3.32Å; R852-L854 PolarHBondContact O-N 2.89Å; R852-L855 PolarHBondContact O-N 3.44Å; R852-G856 PolarHBondContact O-N 3.04Å
853T59.1Low57.9Low94 Ų94136.6 Ų136.658%0.57766%0.66SS**Hα-helixtrans-63.2-38175.8-46.70000111.9K849 M850K849-T853 PolarHBondContact O-N 3.44Å; K849-T853 PolarHBondContact O-OG1 3.3Å; K849-T853 VanDerWaalsContact O-OG1 3.06Å; M850-T853 PolarHBondContact O-N 2.96Å
854L53.2Low56.3Low141 Ų141136.9 Ų136.974%0.73866%0.664SS**Hα-helixtrans-78.3-26.7179.9-71.1168.5000114M850 R852M850-L854 WeakPolarHBondContact O-CB 3.43Å; M850-L854 WeakPolarHBondContact O-CG 3.19Å; M850-L854 PolarHBondContact O-N 3.48Å; R852-L854 VanDerWaalsContact C-N 3.32Å; R852-L854 PolarHBondContact O-N 2.89Å
855L51.4Low54.7Low138 Ų138140.8 Ų140.872%0.72368%0.682SS**Hα-helixtrans-79.4-30.2168.9-95.468.9000112.2S851 R852 H857S851-L855 WeakPolarHBondContact O-CB 3.37Å; S851-L855 WeakPolarHBondContact O-CD1 3.3Å; S851-L855 PolarHBondContact O-N 3.5Å; R852-L855 PolarHBondContact O-N 3.44Å; L855-H857 PolarHBondContact O-N 3.16Å
856G47.2Very low53Low57 Ų57141.6 Ų141.659%0.58870%0.696SS**THydrogen-bonded Turntrans-70.913.3-176.500000116.6R852R852-G856 PolarHBondContact O-N 3.04Å
857H49.4Very low51.1Low173 Ų173143 Ų14380%0.80171%0.706SS**THydrogen-bonded Turntrans-13025.2-178.9-83.512.2000112.9L855L855-H857 PolarHBondContact O-N 3.16Å
858R40.2Very low49.4Very low229 Ų229148.3 Ų148.386%0.86473%0.725SS**SBendtrans-143.123.9-174.3-144.5178.9-176167.82.8116.9
859Q38.6Very low47.5Very low191 Ų191150.5 Ų150.589%0.89373%0.733SS**  trans-15452.9-177.7-124.1163.59.800115.5
860E37Very low45.7Very low194 Ų194153.3 Ų153.391%0.90774%0.742SS**  trans-129.556.6173.6-69.1-166145.100113.2
861Q39.4Very low44.2Very low174 Ų174154.9 Ų154.981%0.81375%0.752SS**  trans-142.3149.2165.3-68.3-168.4-16.400110.9
862H42.8Very low42.8Very low173 Ų173160.2 Ų160.280%0.80177%0.766SS**  trans77.157.8178.1-58.5-70.5000118.8
863E36.7Very low41.5Very low166 Ų166156 Ų15678%0.77677%0.767SS**  24.1142.4114-78.1-163.2112.200123.3
864N41.5Very low40.5Very low123 Ų123155 Ų15566%0.65878%0.775SS**  trans65.196.7136.6-61.6-24.3000121.2
865Q40.6Very low39.7Very low189 Ų189157.1 Ų157.188%0.88378%0.781SS**  177.2147.785-87.8-170.816.600112.7
866P40.4Very low39.2Very low119 Ų119159.6 Ų159.677%0.77379%0.789SS**  trans-119.4145.6173.738.2-27.6000114.5
867N36.2Very low38.9Very low151 Ų151160.5 Ų160.581%0.80780%0.798SS**  trans-169.8162.5130.8-127.6-37.8000117.8
868M38.2Very low38.8Very low156 Ų156158.7 Ų158.777%0.76880%0.802SS**  trans74.3148.6154.4-70.7-65-91.400121.5
869R35Very low39Very low198 Ų198159 Ų15975%0.74780%0.803SS**  trans-106.5158-173.9-54.4165.4176165.2-3.8109.9
870Y37.7Very low39.5Very low179 Ų179156.1 Ų156.170%0.70280%0.801SS**  164.5145.2107.1-89.9-66.6000114
871L36.5Very low39.8Very low142 Ų142150.5 Ų150.574%0.74379%0.794SS**  trans51106.2145.9-66.8162000122.6
872K35.9Very low39.9Very low181 Ų181152.5 Ų152.579%0.78780%0.795SS**  68.3127.6105.5-156.9-169.3177.5-174.10121.4
873S35.4Very low39.8Very low108 Ų108153.4 Ų153.476%0.75580%0.797SS**  trans70135.8150.950.80000121.9
874G36.8Very low40.2Very low72 Ų72152.1 Ų152.174%0.74280%0.795SS**  trans81.3158.9167.100000115.7
875E38Very low40.2Very low187 Ų187149.5 Ų149.587%0.87480%0.797SS**  cis-164.2165.9-25.9-129.2163.6-168.900109.8
876E39.8Very low40.3Very low190 Ų190144 Ų14489%0.88879%0.792SS**  trans26.9123.2164.5-52.7-157.9128.600124.8
877G41.1Very low40.4Very low76 Ų76147.4 Ų147.478%0.78480%0.797SS**  trans83.117713100000120.3
878P47.8Very low40.6Very low134 Ų134148.4 Ų148.487%0.8780%0.797SS**  cis-123.7-174.9-0.341.6-27.3000116
879R44.6Very low40.8Very low237 Ų237146.2 Ų146.289%0.89480%0.797SS**  trans-86.8-170.5174.6-78.9-172.6175.6-154.21.1111.3
880P49.2Very low41Very low130 Ų130140.7 Ų140.784%0.84480%0.802SS**  cis-152.3-179.916.645.7-24.4000121.3
881G41.9Very low41.1Very low75 Ų75135.6 Ų135.677%0.77380%0.803SS**  trans115.6150.415100000116.6
882R41Very low41.4Very low217 Ų217140.8 Ų140.882%0.81981%0.813SS**  cis-165.9178.3-21.8-141.3-174.7-162.8-103.96109.1
883F42.7Very low41.7Very low192 Ų192141.1 Ų141.184%0.84282%0.815SS**  trans80.2155.1177.1-64.3-87.4000118.6
884D44.2Very low42.4Very low138 Ų138142.1 Ų142.174%0.73882%0.818SS**  -164.6159.2-61.6-134.6-36.8000112.6
885G41.9Very low42.5Very low69 Ų69145.4 Ų145.471%0.71182%0.819SS**  trans84.3128147.600000122.7
886G41.6Very low42.8Very low74 Ų74148.6 Ų148.676%0.76382%0.823SS**  trans78.3111.5153.900000116.8
887E42.2Very low42.6Very low190 Ų190142.5 Ų142.589%0.88881%0.811SS**  cis81.112533.6-62.3-161.4138.500118.3
888E41.5Very low42.5Very low172 Ų172146 Ų14680%0.80481%0.811SS**  trans64.2120.8147.4-70.5-120.9105.800124.2
889S41.9Very low42.1Very low110 Ų110147.8 Ų147.877%0.76981%0.805SS**  trans92141.6130.883.20000121.7
890G40.1Very low41.9Very low82 Ų82143 Ų14385%0.84580%0.802SS**  trans97.5105.6136.200000119.8
891G39.3Very low41.3Very low71 Ų71139.8 Ų139.873%0.73279%0.786SS**  132.6104128.300000120.8
892R42Very low41.1Very low251 Ų251144.4 Ų144.495%0.94779%0.785SS**  trans58.3109133.3-58.5179.9-177.7-170.20.6119.9
893K43.5Very low40.9Very low189 Ų189142.7 Ų142.782%0.82278%0.778SS**  trans-62.1164.5154.6-51.7179.9178.8-176.80112
894P50.6Low40.7Very low129 Ų129142.3 Ų142.384%0.83877%0.771SS**  trans-108.6131.3138.733.5-28.2000112.3
895N37.8Very low40.4Very low140 Ų140143 Ų14375%0.74977%0.768SS**  trans-93.6145165-111.2-9.6000109.2
896R43.4Very low40.1Very low255 Ų255144.7 Ų144.796%0.96276%0.761SS**  trans170.7139.5145.3-92.6148.1-166.7-157.65109.4
897G37Very low39.8Very low62 Ų62147.7 Ų147.764%0.63976%0.759SS**  cis156.1170.7-7.400000112.4
898L38.2Very low39.5Very low149 Ų149146.7 Ų146.778%0.7875%0.752SS**  trans69.9148.1177.6-68.564000113.7
899K40.4Very low39.1Very low172 Ų172144 Ų14475%0.74874%0.741SS**  cis-147.4127.1-5.1-116.2162.3-178175.80106.4
900V39.6Very low38.7Very low137 Ų137146.7 Ų146.783%0.8374%0.741SS**  74.3132.995.6163.60000114.9
901A36.8Very low38.5Very low61 Ų61147.3 Ų147.350%0.50473%0.733SS.*  cis-177.2160.8-2000000111.6
902K38.4Very low38.3Very low172 Ų172150.5 Ų150.575%0.74873%0.728SS**  trans67.9155.8144.3-72.3155.5-169.9170.80116.4
903R36Very low37.9Very low181 Ų181147.8 Ų147.868%0.68372%0.718SS**  cis-151.81384.3-121.9152.8-174.8-179.2-2.4107.9
904R37.8Very low37.6Very low184 Ų184147 Ų14769%0.69472%0.717SS**  59.3142.2108.2-66.7-168.9-178.1-177.8-5.3115.5
905F37.5Very low36.9Very low153 Ų153147.4 Ų147.467%0.67171%0.713SS**  cis-157.5169.87.3-106.7172.5000106.5
906N37Very low36.9Very low105 Ų105146.7 Ų146.756%0.56172%0.719SS**  cis-159.1154.118.5-120.8-12.9000109.8
907N35.6Very low36.7Very low136 Ų136142.5 Ų142.573%0.72772%0.715SS**  trans36.6144.3138-49.8-18000121.4
908K34.4Very low36.8Very low169 Ų169145.3 Ų145.374%0.73573%0.725SS**  cis-160.8136.915.9-145.6-171.4166.9-172.90112.7
909M33Very low36.8Very low117 Ų117145.7 Ų145.758%0.57673%0.728SS**  trans36.5127.5141-68.3157.26400122.7
910E34.2Very low36.8Very low165 Ų165141.3 Ų141.377%0.77173%0.731SS**  69.7153.1125-62.4154.5-167.400118.9
911S36.2Very low36.7Very low95 Ų95144.6 Ų144.666%0.66473%0.729SS**  cis-139154.36.871.20000110.2
912E35.2Very low36.6Very low138 Ų138150.6 Ų150.665%0.64574%0.744SS**  52.4140.995.4-50.3-159.8129.600116
913R33.8Very low36.8Very low194 Ų194152 Ų15273%0.73277%0.773SS**  cis-171.5-170.2-2.1-112.4-175.5-142-163.113.6108.2
914Q37.8Very low36.8Very low172 Ų172150.6 Ų150.680%0.80478%0.778SS**  trans79.9107.7165.9-62176.1-19.600114.9
915D35.5Very low36.8Very low139 Ų139148.8 Ų148.874%0.74378%0.782SS**  cis83.6114.144-57.9-42.7000112.8
916S38.1Very low36.7Very low125 Ų125148.6 Ų148.687%0.87479%0.788SS**  trans-175.593.9148.3-80.30000110.9
917D38.2Very low36.7Very low167 Ų167151.1 Ų151.189%0.89380%0.802SS**  trans-72.4147.8160.7-67.7-61.1000110.3
918S39.5Very low36.8Very low120 Ų120152.1 Ų152.184%0.83981%0.806SS**  trans-159.1129.6149.5-51.20000111.8
919D38.8Very low36.9Very low157 Ų157150.9 Ų150.984%0.8481%0.811SS**  trans-66.7149.8166.5-90-72000112.5
920G39.2Very low37.2Very low80 Ų80153.4 Ų153.483%0.82583%0.828SS**  trans-153.399.6169.500000112.1
921R38.8Very low37.4Very low207 Ų207152.5 Ų152.578%0.78183%0.832SS**  trans-99.8164.1178.1-86.3-171.9-102177.2-7.8112.7
922F32.8Very low37.5Very low187 Ų187157.3 Ų157.382%0.8285%0.846SS**  trans77.9106.7169.1-63.1-80.2000117.6
923C42.8Very low37.8Very low201 Ų201159 Ų159100%1.35886%0.864SS**  -118.2088.7-77.70000109.3

Retrieved 923 of 923 residues in 424.8 ms (Link to these results)