A0A087XDU4_POEFO Loading...

Nuclear FMR1 interacting protein 1

AlphaFold DB , UniProt , Accession A0A087XDU4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 536 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
1M36.8Very low45.4Very low245 Ų245160.4 Ų160.4100%1.20783%0.83SS**  0126.70-69145.677.900106.2
2S38.7Very low46.2Very low117 Ų117162.1 Ų162.182%0.81883%0.827SS**  trans-88.4132.5-170.543.90000112.1
3E38.9Very low45.9Very low198 Ų198156.6 Ų156.693%0.92581%0.812SS**  trans-66159.2175.7-70172.994.500112.1
4S44.4Very low45.7Very low105 Ų105153.6 Ų153.673%0.73481%0.809SS**  trans-117106.8-177.6-58.90000110.1R6S4-R6 PolarHBondContact O-N 3.44Å
5E42.2Very low46.1Very low190 Ų190151.1 Ų151.189%0.88881%0.806SS**PPolyproline II helixtrans-59.3118.5176-63.9-177139.400110.6
6R49.3Very low46.4Very low239 Ų239148.2 Ų148.290%0.90280%0.798SS**PPolyproline II helixtrans-96.6116.4174.1-63.8-171.8-173-1754.1109.8S4S4-R6 PolarHBondContact O-N 3.44Å
7Y41.8Very low46.1Very low211 Ų211146.3 Ų146.383%0.82780%0.795SS**PPolyproline II helixtrans-68.4146.4165.3-95.3-101.5000111
8P55.9Low45.5Very low108 Ų108146.7 Ų146.770%0.70180%0.797SS**PPolyproline II helixtrans-69.6150.217429.7-35.1000111.8
9P55Low45.5Very low118 Ų118150.2 Ų150.277%0.76680%0.804SS**PPolyproline II helixtrans-73.3154.9177.631.7-35.6000112.2
10P49.7Very low44.9Very low100 Ų100147.7 Ų147.765%0.64980%0.799SS**PPolyproline II helixtrans-73.4143.517530.6-34.2000112.1F12P10-F12 HydrophobicContact CG-CE2 3.94Å; P10-F12 HydrophobicContact CG-CZ 4.35Å; P10-F12 WeakPolarHBondContact O-CD2 3.4Å
11D46.8Very low44.4Very low133 Ų133146.7 Ų146.771%0.71180%0.802SS**PPolyproline II helixtrans-81143.9174.3-170.1-1.9000111.3S13D11-S13 VanDerWaalsContact OD1-CB 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.38Å; D11-S13 PolarHBondContact OD1-N 3.22Å; D11-S13 PolarHBondContact OD1-OG 3.28Å; D11-S13 PolarHBondContact OD2-OG 3.41Å
12F54.3Low44.6Very low181 Ų181140.6 Ų140.679%0.79478%0.78SS**  trans-122.719.2-177.9-74.5-81.4000112.9P10 C14P10-F12 HydrophobicContact CG-CE2 3.94Å; P10-F12 HydrophobicContact CG-CZ 4.35Å; P10-F12 WeakPolarHBondContact O-CD2 3.4Å; F12-C14 PolarHBondContact O-N 3.43Å
13S42.6Very low44.8Very low91 Ų91140.7 Ų140.764%0.63678%0.778SS**  trans-68.630.5-174.455.60000117.1D11D11-S13 VanDerWaalsContact OD1-CB 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.38Å; D11-S13 PolarHBondContact OD1-N 3.22Å; D11-S13 PolarHBondContact OD1-OG 3.28Å; D11-S13 PolarHBondContact OD2-OG 3.41Å
14C44.1Very low44.7Very low114 Ų114137 Ų13777%0.7777%0.771SS**  trans-127.3104.2175.7-79.80000111.9F12F12-C14 PolarHBondContact O-N 3.43Å
15P51.7Low44.2Very low117 Ų117139 Ų13976%0.7677%0.774SS**PPolyproline II helixtrans-75.5148.417731-34.5000112.5
16P49.7Very low44Very low104 Ų104138.3 Ų138.368%0.67577%0.768SS**PPolyproline II helixtrans-73.7148.8176.331.2-35000112.1
17P41.3Very low43.3Very low116 Ų116135.4 Ų135.475%0.75377%0.769SS**PPolyproline II helixtrans-73.1130.8176.429.6-33.9000111.8
18N36.3Very low43.3Very low154 Ų154133.1 Ų133.182%0.82477%0.766SS**PPolyproline II helixtrans-73.8139.1-179.2-73.5-38.6000113
19F44.1Very low42.2Very low212 Ų212137 Ų13793%0.9378%0.775SS**  trans-91.298.5174.4-84.7-99.4000111.8
20S35.2Very low41.3Very low100 Ų100136.8 Ų136.870%0.69977%0.773SS**  trans-162.1145.9166.748.30000113.7
21C32.9Very low40.4Very low128 Ų128140.6 Ų140.687%0.86578%0.782SS**  trans87.9153.6170.3-63.60000118.7
22P41.8Very low39.8Very low116 Ų116143 Ų14375%0.75379%0.789SS**  trans-109.4176.4-145.842.5-35.3000115.6
23P43.3Very low38.8Very low119 Ų119142.2 Ų142.277%0.77379%0.788SS**  trans-101.9158.6-157.538.3-36000116.6
24P35.6Very low38.4Very low121 Ų121143.7 Ų143.779%0.78680%0.795SS**  trans-105.9115.6157.434.5-25.3000113
25N35.5Very low37.9Very low148 Ų148150.1 Ų150.179%0.79180%0.803SS**  trans12.9128.8155.4-64.6-31.6000122.6
26F37.8Very low36.9Very low175 Ų175150 Ų15077%0.76881%0.805SS**  trans44.2107.9134.7-89.5-101.1000120.1
27I34.3Very low36.2Very low178 Ų178149.6 Ų149.691%0.91381%0.805SS**  -143.2147.5127.1-98.4147.5000107.5
28Q40.6Very low36Very low163 Ų163149.9 Ų149.976%0.76281%0.809SS**  trans-125.2121.4-165-172-176.3106.100110.2
29Q33.7Very low35.8Very low190 Ų190150.5 Ų150.589%0.88881%0.805SS**  trans-162.9167.9163.2-107.5-171.544.900110.6
30P36.6Very low35.5Very low112 Ų112146.8 Ų146.873%0.72779%0.79SS**  trans-90.5159.5-134.333.6-39.7000118.1Q32P30-Q32 PolarHBondContact O-N 2.85Å
31Q30.8Very low35.5Very low181 Ų181147.4 Ų147.485%0.84679%0.792SS**  trans-67.7112.6-179.7-173.7179.339.100113.1
32Q33.6Very low35.9Very low183 Ų183145 Ų14586%0.85578%0.777SS**PPolyproline II helixtrans-74.2133161.9-69.2-94.9-8.800109.1P30P30-Q32 PolarHBondContact O-N 2.85Å
33Q34.1Very low35.8Very low165 Ų165145.6 Ų145.677%0.77177%0.771SS**PPolyproline II helixtrans-80.2146.5175.5-72-168.8-8.400111.9
34P34.3Very low35.6Very low121 Ų121150.7 Ų150.779%0.78678%0.775SS**PPolyproline II helixtrans-66140.3173.828.8-34.5000110.8S36P34-S36 PolarHBondContact O-N 3.41Å
35R32.3Very low35.8Very low249 Ų249148.8 Ų148.894%0.9476%0.764SS**PPolyproline II helixtrans-67.2118.5-178.4-64.6-178.8-179.7-177.90.3110.5
36S30.4Very low35.9Very low114 Ų114153.6 Ų153.680%0.79777%0.772SS**PPolyproline II helixtrans-70.1142.4174.947.30000111.9P34P34-S36 PolarHBondContact O-N 3.41Å
37S35.8Very low36.2Very low96 Ų96147.8 Ų147.867%0.67176%0.761SS**PPolyproline II helixtrans-63.3136.8169.31790000110.1F39S37-F39 PolarHBondContact O-N 3.29Å
38S38Very low36.1Very low122 Ų122147.9 Ų147.985%0.85376%0.758SS**SBendtrans-7924.8-177.851.10000114.5
39F31Very low35.7Very low168 Ų168145.8 Ų145.874%0.73776%0.756SS**  trans-92.8118.3173.8-106.2-97.3000110.8S37S37-F39 PolarHBondContact O-N 3.29Å
40H37.1Very low35.5Very low133 Ų133142.5 Ų142.562%0.61675%0.752SS**  trans-115.1135.5-177.6-125.8-78.3000111.5S42 M43H40-S42 PolarHBondContact O-N 3.12Å; H40-M43 WeakPolarHBondContact O-CG 3.5Å; H40-M43 PolarHBondContact O-N 2.87Å
41P35.2Very low35.1Very low114 Ų114146.8 Ų146.874%0.7476%0.759SS**G310 helixtrans-57.7-21.9179.5-28.836.3000115.6M43 W44P41-M43 PolarHBondContact O-N 2.88Å; P41-W44 PolarHBondContact O-N 3.35Å; P41-W44 VanDerWaalsContact O-N 3.09Å
42S42.3Very low35Very low77 Ų77146.9 Ų146.954%0.53876%0.76SS.*G310 helixtrans-58.4-17.417858.40000114H40 W44 S45H40-S42 PolarHBondContact O-N 3.12Å; S42-W44 PolarHBondContact O-N 2.92Å; S42-S45 PolarHBondContact O-N 3.32Å; S42-S45 PolarHBondContact O-OG 3.14Å
43M38.8Very low34.9Very low129 Ų129143.5 Ų143.564%0.63575%0.753SS**G310 helixtrans-63.3-16.6173.8-63.5-176.674.700114.4H40 P41H40-M43 WeakPolarHBondContact O-CG 3.5Å; H40-M43 PolarHBondContact O-N 2.87Å; P41-M43 PolarHBondContact O-N 2.88Å
44W40.1Very low34.6Very low225 Ų225141.2 Ų141.285%0.85276%0.756SS**G310 helixtrans-108.88.3179.5-71.5-9.7000115.1P41 S42 W46P41-W44 PolarHBondContact O-N 3.35Å; P41-W44 VanDerWaalsContact O-N 3.09Å; S42-W44 PolarHBondContact O-N 2.92Å; W44-W46 VanDerWaalsContact O-CD1 3.27Å; W44-W46 PolarHBondContact O-N 3.42Å
45S38.9Very low34.4Very low81 Ų81147.7 Ų147.757%0.56677%0.765SS**  trans-68.398179.455.70000113.3S42 G47S42-S45 PolarHBondContact O-N 3.32Å; S42-S45 PolarHBondContact O-OG 3.14Å; S45-G47 PolarHBondContact O-N 3.16Å
46W38.3Very low34.1Very low249 Ų249138.9 Ų138.994%0.94375%0.752SS**THydrogen-bonded Turntrans-74.649.6174.5-74.194.7000113W44W44-W46 VanDerWaalsContact O-CD1 3.27Å; W44-W46 PolarHBondContact O-N 3.42Å
47G43.4Very low34Very low53 Ų53143.2 Ų143.255%0.54676%0.759SS.*THydrogen-bonded Turntrans-159.90.8-165.800000119.8S45S45-G47 PolarHBondContact O-N 3.16Å
48Q32.2Very low33.6Very low180 Ų180142.8 Ų142.884%0.84177%0.77SS**  trans-155.1137.5173-105.2129.197.700113.7
49T32.2Very low33Very low120 Ų120140.2 Ų140.274%0.73676%0.762SS**PPolyproline II helixtrans-88.8127164.747.90000109.2F51T49-F51 PolarHBondContact O-N 3.46Å
50P29.6Very low32.9Very low121 Ų121142.6 Ų142.679%0.78677%0.768SS**PPolyproline II helixtrans-58.7131.5176.7-24.334000111.8
51F28.7Very low32.6Very low201 Ų201147.3 Ų147.388%0.88278%0.782SS**PPolyproline II helixtrans-73.6135.4162.9-97.9-97.2000109.2T49 P53T49-F51 PolarHBondContact O-N 3.46Å; F51-P53 WeakPolarHBondContact O-CD 3.48Å
52E29.6Very low32.3Very low184 Ų184151.1 Ų151.186%0.8679%0.79SS**PPolyproline II helixtrans-83.2122.2-178.8-165.7167.8-138.600109.7S54E52-S54 PolarHBondContact O-N 3.24Å; E52-S54 VanDerWaalsContact O-N 3.15Å
53P31.5Very low31.6Very low111 Ų111151 Ų15172%0.72180%0.8SS**  trans-66.1114.4-179.1-23.335.1000111.8F51 W55F51-P53 WeakPolarHBondContact O-CD 3.48Å; P53-W55 PolarHBondContact O-N 3.3Å; P53-W55 VanDerWaalsContact O-N 3.16Å
54S26.9Very low31.1Very low118 Ų118153.5 Ų153.583%0.82581%0.81SS**  trans-68.1110.7172.4-179.70000109.9E52 G56E52-S54 PolarHBondContact O-N 3.24Å; E52-S54 VanDerWaalsContact O-N 3.15Å; S54-G56 PolarHBondContact O-N 2.96Å
55W30Very low30.5Very low256 Ų256150.1 Ų150.197%0.9780%0.804SS**  trans-56.5120175-72.882.7000111P53P53-W55 PolarHBondContact O-N 3.3Å; P53-W55 VanDerWaalsContact O-N 3.16Å
56G25.8Very low30.1Very low65 Ų65153.4 Ų153.467%0.6782%0.815SS**  trans-161.192.5-173.100000113.5S54S54-G56 PolarHBondContact O-N 2.96Å
57Q28.1Very low29.7Very low205 Ų205145.2 Ų145.296%0.95881%0.808SS**  trans54.588.8152.5-63172.2-10.500117.2
58G28Very low29.4Very low86 Ų86149.1 Ų149.189%0.88782%0.824SS**  trans-75.7155157.900000112
59G26.4Very low29.4Very low68 Ų68144.6 Ų144.670%0.70182%0.817SS**  trans-114.1137.9-177.500000114.3
60Y28.6Very low29.5Very low218 Ų218150 Ų15086%0.85583%0.826SS**  trans29.1122.1153.7-63-82.5000121.6
61Y29.1Very low29.7Very low233 Ų233155.1 Ų155.191%0.91483%0.831SS**  trans-136.3163.3131.3-96.6-82.3000109.7
62H29.3Very low29.8Very low194 Ų194149 Ų14990%0.89883%0.825SS**  trans-82.5155.4-166.7-79.2-110.3000115.1
63G27.8Very low30.3Very low73 Ų73146.7 Ų146.775%0.75383%0.826SS**  trans-174.751.1177.400000119
64Q28.3Very low30.8Very low183 Ų183150.7 Ų150.786%0.85583%0.831SS**  trans55.1159.7156-65.8-158.588.900123.6
65E27.3Very low31.2Very low154 Ų154150.4 Ų150.472%0.7283%0.827SS**  trans75.1115.3157.5-76.1178.3-124.100123.8
66N31.9Very low31.3Very low150 Ų150146.1 Ų146.180%0.80282%0.818SS**  trans66.7107.5136-57.6-33.9000122
67G28.2Very low31.4Very low76 Ų76150.7 Ų150.778%0.78482%0.82SS**  trans165.8132.5162.200000114
68P38.8Very low31.5Very low136 Ų136146 Ų14688%0.88380%0.801SS**  trans-91.9159.9-167.735.1-36.3000117.2
69A31.5Very low31.8Very low85 Ų85149 Ų14970%0.70279%0.792SS**  trans-56.4163.1-172.800000119.6
70Y33.8Very low32Very low234 Ų234153.4 Ų153.492%0.91879%0.794SS**  trans-151.7164.3138.2-107.1-74.1000111.9
71Y33.7Very low32.1Very low228 Ų228152.4 Ų152.489%0.89479%0.794SS**  trans-87.3157.6-165.2-84.2-118.8000115.8
72G31.2Very low32.1Very low73 Ų73144.9 Ų144.975%0.75379%0.788SS**  trans164.1115.7160.900000116
73P41.1Very low32.4Very low135 Ų135139.3 Ų139.388%0.87778%0.783SS**  trans-98168.6-173.137.4-36000116.4
74K40.3Very low32.4Very low194 Ų194145 Ų14584%0.84379%0.79SS**  trans-97.3158.6174.4-55.7172.9-177.7172.40112.9
75P36.6Very low32.5Very low113 Ų113147.5 Ų147.573%0.73479%0.791SS**  trans-123.4163.4134.340.8-32.3000110.5
76Q31.4Very low32.8Very low165 Ų165146.7 Ų146.777%0.77180%0.802SS**  cis75.5144.525.6-52.3-164.6100.800112.9
77F28.7Very low32.9Very low162 Ų162148.6 Ų148.671%0.71181%0.805SS**  cis-161.6161.8-0.2-151.2-115.9000106.7
78N29.1Very low33.2Very low107 Ų107150 Ų15057%0.57281%0.81SS**  cis-174.5-179.8-30.4-175.715.8000107.4
79Q34.3Very low32.8Very low149 Ų149147.5 Ų147.570%0.69681%0.808SS**  trans79149.7170.1-43.4167.4105.200114.3
80H30.5Very low32.8Very low159 Ų159149.2 Ų149.274%0.73682%0.816SS**  cis67.9142.627.4-70.879.1000114.4
81F31.7Very low33.3Very low197 Ų197144.3 Ų144.386%0.86481%0.812SS**  cis-116166.4-6.5-95-94.8000109.7
82G29.6Very low33.6Very low75 Ų75137.5 Ų137.577%0.77381%0.812SS**  132.4173.283.100000109.7
83G34.3Very low33.7Very low77 Ų77137.4 Ų137.479%0.79481%0.81SS**  trans-178.7156.2177.400000114.5
84E29.4Very low33.5Very low194 Ų194142.5 Ų142.591%0.90781%0.812SS**  trans-153.2178178.7-133.9155.2-145.900111.7
85W29.3Very low33.3Very low234 Ų234141 Ų14189%0.88681%0.808SS**  trans-116.5151.4-155.2-59.467.8000114.1
86C32.8Very low33.3Very low138 Ų138143 Ų14393%0.93281%0.813SS**  -171.9172.2129-110.70000113.5
87Q35.4Very low33.6Very low189 Ų189145 Ų14588%0.88381%0.814SS**  trans-111.4150.3-168.2-62.3172.1-18.900113.7
88A33.4Very low34.1Very low107 Ų107147.5 Ų147.588%0.88482%0.819SS**  trans-160.3144.5154.900000111.4
89G31.6Very low34.9Very low82 Ų82146.8 Ų146.885%0.84582%0.82SS**  trans93.9101160.400000118.3
90S30.9Very low35.3Very low122 Ų122145 Ų14585%0.85382%0.822SS**  trans-92.8-178.5160.1-51.60000110
91P45Very low35.9Very low130 Ų130147.8 Ų147.884%0.84483%0.827SS**  cis-130.4177.6-8.740.9-25.6000114.2
92G39Very low36.9Very low86 Ų86146.6 Ų146.689%0.88783%0.825SS**  trans111.276.815400000117.5
93G33.5Very low37.5Very low70 Ų70146.1 Ų146.172%0.72282%0.82SS**  trans-154.1133.1167.200000111.2Q95G93-Q95 PolarHBondContact O-N 3.02Å
94R36.2Very low38.3Very low242 Ų242151.9 Ų151.991%0.91382%0.823SS**  trans-67.7132.6-179.3-68.2-171.4-171-97.53.9110.6N96R94-N96 PolarHBondContact O-N 2.95Å; R94-N96 VanDerWaalsContact O-N 3.12Å
95Q36.9Very low39.5Very low162 Ų162151.8 Ų151.876%0.75782%0.82SS**  trans-74.499.9-175.8-61.5175.81400111.5G93 Y97G93-Q95 PolarHBondContact O-N 3.02Å; Q95-Y97 HydrophobicContact CB-CD2 4.18Å; Q95-Y97 HydrophobicContact CB-CE2 4.46Å
96N35.9Very low40.9Very low157 Ų157148.9 Ų148.984%0.8482%0.816SS**  trans-9877.7165.9-82.6-42.6000109.7R94 R98R94-N96 PolarHBondContact O-N 2.95Å; R94-N96 VanDerWaalsContact O-N 3.12Å; N96-R98 PolarHBondContact O-N 3.1Å
97Y38.3Very low42Very low205 Ų205153.1 Ų153.180%0.80481%0.812SS**  trans-70.377.2173.3-90-76.8000111.3Q95 P99Q95-Y97 HydrophobicContact CB-CD2 4.18Å; Q95-Y97 HydrophobicContact CB-CE2 4.46Å; Y97-P99 WeakPolarHBondContact O-CD 3.5Å
98R39.4Very low43Very low216 Ų216151.1 Ų151.182%0.81581%0.808SS**  trans-90.6110.1157.5-173.1178.3-170.9174.24.9107.4N96N96-R98 PolarHBondContact O-N 3.1Å
99P44.7Very low44.4Very low91 Ų91157.1 Ų157.159%0.59181%0.808SS**  trans-56.6133.8178.3-25.334.8000110.4Y97 Y101Y97-P99 WeakPolarHBondContact O-CD 3.5Å; P99-Y101 PolarHBondContact O-N 3.13Å
100P43.4Very low46.1Very low113 Ų113162.9 Ų162.973%0.73481%0.809SS**  trans-63.4113.1172.925.8-32000107.9Q102P100-Q102 PolarHBondContact O-N 3.14Å
101Y42.8Very low47.3Very low216 Ų216165.4 Ų165.485%0.84781%0.808SS**  trans-65.186.5173.8-95.5-110.1000108.7P99 G103P99-Y101 PolarHBondContact O-N 3.13Å; Y101-G103 VanDerWaalsContact C-N 3.29Å; Y101-G103 PolarHBondContact O-N 3Å
102Q52.2Low48.2Very low172 Ų172162.4 Ų162.480%0.80479%0.788SS**  trans-60.998.9163.5-69.2-169.7600106.7P100 K104P100-Q102 PolarHBondContact O-N 3.14Å; Q102-K104 PolarHBondContact O-N 2.78Å
103G42.4Very low49.8Very low66 Ų66166.8 Ų166.868%0.6879%0.785SS**  trans-58101.3176.600000108.4Y101 K105Y101-G103 VanDerWaalsContact C-N 3.29Å; Y101-G103 PolarHBondContact O-N 3Å; G103-K105 VanDerWaalsContact C-N 3.3Å; G103-K105 PolarHBondContact O-N 2.98Å
104K51.9Low51.6Low197 Ų197167.7 Ų167.786%0.85777%0.773SS**  trans-59.996178.5-70.5-178.7179.3177.10107.2Q102 Q106Q102-K104 PolarHBondContact O-N 2.78Å; K104-Q106 PolarHBondContact O-N 2.82Å
105K55.1Low53.5Low193 Ų193160 Ų16084%0.83976%0.756SS**  trans-50.9114.5169.5-74.3-175.2177.4-179.30105.7G103 R107G103-K105 VanDerWaalsContact C-N 3.3Å; G103-K105 PolarHBondContact O-N 2.98Å; K105-R107 VanDerWaalsContact C-N 3.29Å; K105-R107 PolarHBondContact O-N 3Å
106Q57.4Low55.6Low172 Ų172154.2 Ų154.280%0.80473%0.729SS**  trans-55.8100.6170.9-70.2-78.3-3.800105.5K104 N108K104-Q106 PolarHBondContact O-N 2.82Å; Q106-N108 VanDerWaalsContact C-N 3.31Å; Q106-N108 PolarHBondContact O-N 2.85Å; Q106-N108 PolarHBondContact O-OD1 2.78Å
107R56.8Low58.1Low227 Ų227151.7 Ų151.786%0.85771%0.708SS**  trans-68.3102.5168.8-82.9-169.3174.9-166-0.3104K105 R109K105-R107 VanDerWaalsContact C-N 3.29Å; K105-R107 PolarHBondContact O-N 3Å; R107-R109 VanDerWaalsContact C-N 3.29Å; R107-R109 PolarHBondContact O-N 2.65Å
108N56.8Low60.5Low147 Ų147142.2 Ų142.279%0.78667%0.672SS**  trans-49.899.5173.3-65.60.2000107.4Q106 K110Q106-N108 VanDerWaalsContact C-N 3.31Å; Q106-N108 PolarHBondContact O-N 2.85Å; Q106-N108 PolarHBondContact O-OD1 2.78Å; N108-K110 PolarHBondContact O-N 2.69Å; N108-K110 VanDerWaalsContact O-N 3.08Å
109R62.3Low62.7Low234 Ų234138.1 Ų138.188%0.88367%0.666SS**  trans-67.6111.4173-69.9-177.3175.3-169.4-2.8103.6R107 E111R107-R109 VanDerWaalsContact C-N 3.29Å; R107-R109 PolarHBondContact O-N 2.65Å; R109-E111 PolarHBondContact O-N 2.77Å; R109-E111 VanDerWaalsContact O-N 3.11Å
110K66.8Low64.6Low202 Ų202136.9 Ų136.988%0.87866%0.657SS**  trans-45.9124.8174-67.8-173.5175.6-170.90107.1N108N108-K110 PolarHBondContact O-N 2.69Å; N108-K110 VanDerWaalsContact O-N 3.08Å
111E56.8Low66.6Low176 Ų176132.1 Ų132.182%0.82263%0.626SS**  trans-57.8127.2179.1-66.3-176149.700107R109 E113R109-E111 PolarHBondContact O-N 2.77Å; R109-E111 VanDerWaalsContact O-N 3.11Å; E111-E113 PolarHBondContact O-N 3.36Å
112P63.7Low68.6Low66 Ų66127.8 Ų127.843%0.42962%0.618SS.*  trans-67.6123.3-178.527.9-32.5000107.7I114 K126P112-I114 PolarHBondContact O-N 2.81Å; P112-K126 HydrophobicContact CB-CD 3.8Å; P112-K126 HydrophobicContact CB-CG 4.47Å; P112-K126 VanDerWaalsContact CB-NZ 3.33Å; P112-K126 HydrophobicContact CG-CD 4.47Å
113E72.4Confident70.1Confident178 Ų178124.4 Ų124.483%0.83260%0.598SS**  trans-57.1108.4175.6-72.6160.1-151.800108.9E111 S115E111-E113 PolarHBondContact O-N 3.36Å; E113-S115 PolarHBondContact O-N 2.77Å
114I70.4Confident72.2Confident89 Ų89123 Ų12346%0.45658%0.583SS.*  trans-90.294.2174.5-75.3166.9000105.2P112 K126P112-I114 PolarHBondContact O-N 2.81Å; I114-K126 HydrophobicContact CG1-CG 4.45Å
115S76.1Confident73.8Confident80 Ų80115.5 Ų115.556%0.55955%0.55SS**  trans-80.1-16.9-179.247.50000113.3E113E113-S115 PolarHBondContact O-N 2.77Å
116H82.8Confident75.3Confident41 Ų41112.3 Ų112.319%0.1954%0.536CS..EExtended strand (participates in β ladder)trans-130.8120.4-176.1-45.1-74.7000110.2F125 N127 Q128 Y131H116-F125 PolarHBondContact N-O 3.24Å; H116-F125 PolarHBondContact O-N 3.45Å; H116-N127 VanDerWaalsContact CD2-C 3.48Å; H116-Q128 PolarHBondContact CD2-N 2.93Å; H116-Q128 PolarHBondContact CE1-OE1 3.19Å; H116-Q128 PolarHBondContact ND1-OE1 2.99Å; H116-Q128 PolarHBondContact NE2-N 2.96Å; H116-Y131 HydrophobicContact CB-CD2 3.99Å; H116-Y131 HydrophobicContact CB-CG 3.81Å
117Y87.3Confident76.8Confident105 Ų105107.9 Ų107.941%0.41252%0.518SS..EExtended strand (participates in β ladder)trans-128.3140.3-176.2-174.6-97.9000110.8D119 D122 R123 Y131Y117-D119 WeakPolarHBondContact CD1-OD1 3.38Å; Y117-D119 WeakPolarHBondContact CE1-OD1 3.35Å; Y117-D122 WeakPolarHBondContact OH-CA 3.46Å; Y117-D122 PolarHBondContact OH-OD1 3.05Å; Y117-R123 WeakPolarHBondContact CA-O 3.42Å; Y117-Y131 VanDerWaalsContact O-CE2 3.24Å; Y117-Y131 WeakPolarHBondContact O-CE2 3.44Å
118C88.5Confident78.2Confident5 Ų5101.2 Ų101.23%0.03450%0.497CS..EExtended strand (participates in β ladder)trans-111.8102.1-179-178.40000111T120 C121 D122 R123 Y131 H134 H138C118-T120 VanDerWaalsContact C-N 3.34Å; C118-T120 PolarHBondContact O-N 3.05Å; C118-C121 PolarHBondContact O-N 3.28Å; C118-C121 VanDerWaalsContact O-N 3.15Å; C118-D122 PolarHBondContact O-N 3.06Å; C118-R123 PolarHBondContact N-O 3.47Å; C118-R123 PolarHBondContact O-N 3.44Å; C118-Y131 HydrophobicContact CB-CD2 4.23Å; C118-Y131 HydrophobicContact CB-CE2 3.83Å; C118-H134 PolarHBondContact SG-NE2 3.24Å; C118-H138 PolarHBondContact SG-CE1 3.37Å; C118-H138 PolarHBondContact SG-NE2 3.42Å; C118-H138 VanDerWaalsContact SG-NE2 3.39Å
119D85.6Confident79.7Confident131 Ų131100.8 Ų100.870%0.70149%0.49SS*.THydrogen-bonded Turntrans-61-35.7-176.3-58.7-54.9000113.6Y117 C121Y117-D119 WeakPolarHBondContact CD1-OD1 3.38Å; Y117-D119 WeakPolarHBondContact CE1-OD1 3.35Å; D119-C121 PolarHBondContact O-N 2.76Å; D119-C121 VanDerWaalsContact O-N 3.17Å
120T84.9Confident80.9Confident65 Ų6595 Ų9540%0.39947%0.471SS..THydrogen-bonded Turntrans-72.8-7.6-179.370.30000113.8C118 H138 M149 L154C118-T120 VanDerWaalsContact C-N 3.34Å; C118-T120 PolarHBondContact O-N 3.05Å; T120-H138 PolarHBondContact OG1-CE1 3.3Å; T120-M149 WeakPolarHBondContact CB-O 3.39Å; T120-M149 PolarHBondContact OG1-O 3.08Å; T120-L154 WeakPolarHBondContact O-CD1 3.29Å
121C85.5Confident81.9Confident12 Ų1288.6 Ų88.68%0.08144%0.442CS..THydrogen-bonded Turntrans-133.50.4-174.4-67.40000114.1C118 D119 R123 H134 H151 L154C118-C121 PolarHBondContact O-N 3.28Å; C118-C121 VanDerWaalsContact O-N 3.15Å; D119-C121 PolarHBondContact O-N 2.76Å; D119-C121 VanDerWaalsContact O-N 3.17Å; C121-R123 VanDerWaalsContact C-N 3.28Å; C121-R123 HydrophobicContact CB-CG 4.46Å; C121-R123 WeakPolarHBondContact O-CG 3.47Å; C121-R123 PolarHBondContact O-N 3.32Å; C121-H134 VanDerWaalsContact CB-NE2 3.28Å; C121-H134 WeakPolarHBondContact CB-NE2 3.19Å; C121-H134 VanDerWaalsContact SG-CE1 3.57Å; C121-H151 PolarHBondContact SG-N 3.25Å; C121-H151 VanDerWaalsContact SG-N 3.45Å; C121-L154 HydrophobicContact CB-CD1 4.04Å
122D85.2Confident83.4Confident126 Ų12683.2 Ų83.267%0.67442%0.419SS*.THydrogen-bonded Turntrans47.241.5-172.7-71.4-42.4000114.4Y117 C118Y117-D122 WeakPolarHBondContact OH-CA 3.46Å; Y117-D122 PolarHBondContact OH-OD1 3.05Å; C118-D122 PolarHBondContact O-N 3.06Å
123R82.9Confident84.7Confident101 Ų10185.2 Ų85.238%0.38142%0.423SS..EExtended strand (participates in β ladder)trans-119125.9-174.3-76.8170-166.9-168.63.8113.6Y117 C118 C121 F125Y117-R123 WeakPolarHBondContact CA-O 3.42Å; C118-R123 PolarHBondContact N-O 3.47Å; C118-R123 PolarHBondContact O-N 3.44Å; C121-R123 VanDerWaalsContact C-N 3.28Å; C121-R123 HydrophobicContact CB-CG 4.46Å; C121-R123 WeakPolarHBondContact O-CG 3.47Å; C121-R123 PolarHBondContact O-N 3.32Å; R123-F125 HydrophobicContact CB-CD2 4.47Å; R123-F125 HydrophobicContact CB-CE2 3.49Å; R123-F125 VanDerWaalsContact CB-CE2 3.49Å; R123-F125 HydrophobicContact CB-CZ 3.73Å; R123-F125 HydrophobicContact CG-CZ 4.5Å; R123-F125 WeakPolarHBondContact O-CE2 3.23Å
124G88.1Confident85.5Confident35 Ų3577 Ų7736%0.36138%0.384SS..EExtended strand (participates in β ladder)trans-99.8131.5174.200000113.7
125F85.4Confident86.3Confident41 Ų4175.3 Ų75.318%0.1838%0.378CS..EExtended strand (participates in β ladder)trans-122.4147.5179.3-56.1-91.9000111H116 R123 K130 Y131 H134H116-F125 PolarHBondContact N-O 3.24Å; H116-F125 PolarHBondContact O-N 3.45Å; R123-F125 HydrophobicContact CB-CD2 4.47Å; R123-F125 HydrophobicContact CB-CE2 3.49Å; R123-F125 VanDerWaalsContact CB-CE2 3.49Å; R123-F125 HydrophobicContact CB-CZ 3.73Å; R123-F125 HydrophobicContact CG-CZ 4.5Å; R123-F125 WeakPolarHBondContact O-CE2 3.23Å; F125-K130 HydrophobicContact CB-CB 4.46Å; F125-K130 HydrophobicContact CD1-CB 3.95Å; F125-K130 WeakPolarHBondContact CD1-O 3.49Å; F125-K130 WeakPolarHBondContact CE1-O 3.4Å; F125-Y131 HydrophobicContact CD2-CD2 4.15Å; F125-H134 HydrophobicContact CE1-CB 3.95Å; F125-H134 HydrophobicContact CE2-CB 3.89Å; F125-H134 AromaticContact CE2-CD2 3.31Å; F125-H134 WeakPolarHBondContact CE2-CD2 3.38Å; F125-H134 AromaticContact CE2-CG 3.7Å; F125-H134 HydrophobicContact CZ-CB 3.42Å; F125-H134 VanDerWaalsContact CZ-CB 3.42Å; F125-H134 AromaticContact CZ-CD2 3.44Å; F125-H134 VanDerWaalsContact CZ-CD2 3.44Å; F125-H134 WeakPolarHBondContact CZ-CD2 3.36Å; F125-H134 AromaticContact CZ-CG 3.33Å
126K84.8Confident86.9Confident125 Ų12578.6 Ų78.654%0.54339%0.389SS..SBendtrans-95.6-5.9-178.1-50.8179.5-169.7-174.50113.6P112 I114P112-K126 HydrophobicContact CB-CD 3.8Å; P112-K126 HydrophobicContact CB-CG 4.47Å; P112-K126 VanDerWaalsContact CB-NZ 3.33Å; P112-K126 HydrophobicContact CG-CD 4.47Å; I114-K126 HydrophobicContact CG1-CG 4.45Å
127N88.9Confident87.2Confident79 Ų7981.1 Ų81.142%0.42240%0.4SS..SBendtrans-136.7130.5-176-62.154.4000107.4H116 Q129 K130 Y131H116-N127 VanDerWaalsContact CD2-C 3.48Å; N127-Q129 VanDerWaalsContact C-N 3.3Å; N127-Q129 PolarHBondContact O-N 3.41Å; N127-K130 HydrophobicContact CB-CB 4.34Å; N127-K130 HydrophobicContact CB-CG 4.15Å; N127-K130 PolarHBondContact O-N 2.8Å; N127-Y131 PolarHBondContact O-N 2.73Å
128Q86.8Confident87.4Confident88 Ų8877.4 Ų77.441%0.41139%0.387SS..Hα-helixtrans-50.4-50.4174.9-177.164.561.500111H116 K130 Y131 D132H116-Q128 PolarHBondContact CD2-N 2.93Å; H116-Q128 PolarHBondContact CE1-OE1 3.19Å; H116-Q128 PolarHBondContact ND1-OE1 2.99Å; H116-Q128 PolarHBondContact NE2-N 2.96Å; Q128-K130 PolarHBondContact O-N 3.02Å; Q128-Y131 CarbonylContact O-C 3.54Å; Q128-Y131 WeakPolarHBondContact O-CA 3.24Å; Q128-Y131 VanDerWaalsContact O-CB 3.3Å; Q128-Y131 WeakPolarHBondContact O-CB 3.41Å; Q128-Y131 PolarHBondContact O-N 2.9Å; Q128-D132 VanDerWaalsContact C-OD2 3.28Å; Q128-D132 PolarHBondContact NE2-OD1 3.01Å; Q128-D132 PolarHBondContact O-N 2.82Å; Q128-D132 VanDerWaalsContact O-OD2 3.13Å
129Q89Confident87.4Confident138 Ų13880.7 Ų80.765%0.64541%0.406SS*.Hα-helixtrans-49.2-37.7177.2-68.2170.2-2800114.2N127 D132 E133N127-Q129 VanDerWaalsContact C-N 3.3Å; N127-Q129 PolarHBondContact O-N 3.41Å; Q129-D132 WeakPolarHBondContact CA-OD2 3.49Å; Q129-D132 PolarHBondContact N-OD2 3.35Å; Q129-D132 PolarHBondContact O-N 3.22Å; Q129-E133 WeakPolarHBondContact O-CB 3.12Å; Q129-E133 VanDerWaalsContact O-CG 3.24Å; Q129-E133 WeakPolarHBondContact O-CG 3.47Å; Q129-E133 PolarHBondContact O-N 3.47Å
130K86.8Confident87.6Confident112 Ų11281.2 Ų81.249%0.48740%0.403SS..Hα-helixtrans-82.3-23.1-179.4-64.9-168173.4-170.10113.3F125 N127 Q128 H134F125-K130 HydrophobicContact CB-CB 4.46Å; F125-K130 HydrophobicContact CD1-CB 3.95Å; F125-K130 WeakPolarHBondContact CD1-O 3.49Å; F125-K130 WeakPolarHBondContact CE1-O 3.4Å; N127-K130 HydrophobicContact CB-CB 4.34Å; N127-K130 HydrophobicContact CB-CG 4.15Å; N127-K130 PolarHBondContact O-N 2.8Å; Q128-K130 PolarHBondContact O-N 3.02Å; K130-H134 WeakPolarHBondContact O-CB 3.16Å; K130-H134 PolarHBondContact O-N 2.9Å
131Y87.9Confident87.8Confident67 Ų6778.7 Ų78.726%0.26339%0.387SS..Hα-helixtrans-72.6-41.9165.5169.7-89.5000110.1H116 Y117 C118 F125 N127 Q128 H134 V135H116-Y131 HydrophobicContact CB-CD2 3.99Å; H116-Y131 HydrophobicContact CB-CG 3.81Å; Y117-Y131 VanDerWaalsContact O-CE2 3.24Å; Y117-Y131 WeakPolarHBondContact O-CE2 3.44Å; C118-Y131 HydrophobicContact CB-CD2 4.23Å; C118-Y131 HydrophobicContact CB-CE2 3.83Å; F125-Y131 HydrophobicContact CD2-CD2 4.15Å; N127-Y131 PolarHBondContact O-N 2.73Å; Q128-Y131 CarbonylContact O-C 3.54Å; Q128-Y131 WeakPolarHBondContact O-CA 3.24Å; Q128-Y131 VanDerWaalsContact O-CB 3.3Å; Q128-Y131 WeakPolarHBondContact O-CB 3.41Å; Q128-Y131 PolarHBondContact O-N 2.9Å; Y131-H134 CarbonylContact O-C 3.55Å; Y131-H134 WeakPolarHBondContact O-CA 3.25Å; Y131-H134 WeakPolarHBondContact O-CB 3.19Å; Y131-H134 PolarHBondContact O-N 3.32Å; Y131-V135 HydrophobicContact CD1-CG2 4.15Å; Y131-V135 HydrophobicContact CD2-CG2 4.44Å; Y131-V135 HydrophobicContact CE1-CG2 3.73Å; Y131-V135 HydrophobicContact CE2-CG2 4.02Å; Y131-V135 HydrophobicContact CG-CG2 4.5Å; Y131-V135 WeakPolarHBondContact O-CG2 3.35Å; Y131-V135 PolarHBondContact O-N 3.35Å
132D88.7Confident87.8Confident64 Ų6482.9 Ų82.934%0.34242%0.417SS..Hα-helixtrans-63.1-49.1177-51.1-35.2000111.1Q128 Q129 H134 V135 L136Q128-D132 VanDerWaalsContact C-OD2 3.28Å; Q128-D132 PolarHBondContact NE2-OD1 3.01Å; Q128-D132 PolarHBondContact O-N 2.82Å; Q128-D132 VanDerWaalsContact O-OD2 3.13Å; Q129-D132 WeakPolarHBondContact CA-OD2 3.49Å; Q129-D132 PolarHBondContact N-OD2 3.35Å; Q129-D132 PolarHBondContact O-N 3.22Å; D132-H134 PolarHBondContact O-N 3.35Å; D132-H134 VanDerWaalsContact O-N 3.16Å; D132-V135 PolarHBondContact O-N 3.23Å; D132-L136 WeakPolarHBondContact O-CB 3.45Å; D132-L136 VanDerWaalsContact O-CG 3.28Å; D132-L136 WeakPolarHBondContact O-CG 3.43Å; D132-L136 PolarHBondContact O-N 2.74Å
133E91.3Very high87.7Confident108 Ų10878.6 Ų78.651%0.50540%0.395SS..Hα-helixtrans-51.4-35.2170.1-77.8167.1-169.700112.6Q129 Q137Q129-E133 WeakPolarHBondContact O-CB 3.12Å; Q129-E133 VanDerWaalsContact O-CG 3.24Å; Q129-E133 WeakPolarHBondContact O-CG 3.47Å; Q129-E133 PolarHBondContact O-N 3.47Å; E133-Q137 WeakPolarHBondContact O-CG 3.41Å; E133-Q137 PolarHBondContact O-NE2 2.86Å
134H88.9Confident87.2Confident4 Ų479 Ų792%0.01941%0.41CS..Hα-helixtrans-79.9-39.8179.2172.649.4000112.9C118 C121 F125 K130 Y131 D132 L136 Q137 H138C118-H134 PolarHBondContact SG-NE2 3.24Å; C121-H134 VanDerWaalsContact CB-NE2 3.28Å; C121-H134 WeakPolarHBondContact CB-NE2 3.19Å; C121-H134 VanDerWaalsContact SG-CE1 3.57Å; F125-H134 HydrophobicContact CE1-CB 3.95Å; F125-H134 HydrophobicContact CE2-CB 3.89Å; F125-H134 AromaticContact CE2-CD2 3.31Å; F125-H134 WeakPolarHBondContact CE2-CD2 3.38Å; F125-H134 AromaticContact CE2-CG 3.7Å; F125-H134 HydrophobicContact CZ-CB 3.42Å; F125-H134 VanDerWaalsContact CZ-CB 3.42Å; F125-H134 AromaticContact CZ-CD2 3.44Å; F125-H134 VanDerWaalsContact CZ-CD2 3.44Å; F125-H134 WeakPolarHBondContact CZ-CD2 3.36Å; F125-H134 AromaticContact CZ-CG 3.33Å; K130-H134 WeakPolarHBondContact O-CB 3.16Å; K130-H134 PolarHBondContact O-N 2.9Å; Y131-H134 CarbonylContact O-C 3.55Å; Y131-H134 WeakPolarHBondContact O-CA 3.25Å; Y131-H134 WeakPolarHBondContact O-CB 3.19Å; Y131-H134 PolarHBondContact O-N 3.32Å; D132-H134 PolarHBondContact O-N 3.35Å; D132-H134 VanDerWaalsContact O-N 3.16Å; H134-L136 VanDerWaalsContact C-N 3.29Å; H134-Q137 WeakPolarHBondContact O-CB 3.44Å; H134-Q137 PolarHBondContact O-N 3.44Å; H134-H138 AromaticContact CD2-NE2 4Å; H134-H138 AromaticContact CE1-NE2 3.76Å; H134-H138 AromaticContact NE2-NE2 3.52Å; H134-H138 PolarHBondContact O-CD2 2.88Å
135V87Confident86.7Confident55 Ų5585.2 Ų85.233%0.33344%0.436SS..Hα-helixtrans-66.8-33.7174.5173.40000110.6Y131 D132 Q137 H138Y131-V135 HydrophobicContact CD1-CG2 4.15Å; Y131-V135 HydrophobicContact CD2-CG2 4.44Å; Y131-V135 HydrophobicContact CE1-CG2 3.73Å; Y131-V135 HydrophobicContact CE2-CG2 4.02Å; Y131-V135 HydrophobicContact CG-CG2 4.5Å; Y131-V135 WeakPolarHBondContact O-CG2 3.35Å; Y131-V135 PolarHBondContact O-N 3.35Å; D132-V135 PolarHBondContact O-N 3.23Å; V135-Q137 PolarHBondContact O-N 2.95Å; V135-H138 WeakPolarHBondContact O-CB 3.41Å; V135-H138 PolarHBondContact O-N 3.14Å
136L89.6Confident86.6Confident149 Ų14984.4 Ų84.478%0.7844%0.435SS*.THydrogen-bonded Turntrans-64.8-17.5170.1-70.7170.1000113.7D132 H134 H138D132-L136 WeakPolarHBondContact O-CB 3.45Å; D132-L136 VanDerWaalsContact O-CG 3.28Å; D132-L136 WeakPolarHBondContact O-CG 3.43Å; D132-L136 PolarHBondContact O-N 2.74Å; H134-L136 VanDerWaalsContact C-N 3.29Å; L136-H138 VanDerWaalsContact C-N 3.3Å
137Q88.1Confident86.6Confident93 Ų9386 Ų8644%0.43545%0.449SS..THydrogen-bonded Turntrans-86.11.3170.5-64.2162.212.300112.8E133 H134 V135 H151E133-Q137 WeakPolarHBondContact O-CG 3.41Å; E133-Q137 PolarHBondContact O-NE2 2.86Å; H134-Q137 WeakPolarHBondContact O-CB 3.44Å; H134-Q137 PolarHBondContact O-N 3.44Å; V135-Q137 PolarHBondContact O-N 2.95Å; Q137-H151 WeakPolarHBondContact O-CA 3.49Å
138H91.2Very high86.4Confident28 Ų2885.1 Ų85.113%0.1344%0.442CS..EExtended strand (participates in β ladder)trans-77.8125.3176.1-69.7-161.2000110.6C118 T120 H134 V135 L136 M149 A150C118-H138 PolarHBondContact SG-CE1 3.37Å; C118-H138 PolarHBondContact SG-NE2 3.42Å; C118-H138 VanDerWaalsContact SG-NE2 3.39Å; T120-H138 PolarHBondContact OG1-CE1 3.3Å; H134-H138 AromaticContact CD2-NE2 4Å; H134-H138 AromaticContact CE1-NE2 3.76Å; H134-H138 AromaticContact NE2-NE2 3.52Å; H134-H138 PolarHBondContact O-CD2 2.88Å; V135-H138 WeakPolarHBondContact O-CB 3.41Å; V135-H138 PolarHBondContact O-N 3.14Å; L136-H138 VanDerWaalsContact C-N 3.3Å; H138-M149 HydrophobicContact CB-CE 4.22Å; H138-A150 WeakPolarHBondContact CA-O 3.32Å
139V89.6Confident86.5Confident73 Ų7384.6 Ų84.644%0.44244%0.44SS..EExtended strand (participates in β ladder)trans-109146.5174.9-176.10000108.2A150 V152 V155V139-A150 PolarHBondContact N-O 3.42Å; V139-A150 PolarHBondContact O-N 2.84Å; V139-V152 HydrophobicContact CB-CG2 4.46Å; V139-V152 HydrophobicContact CG2-CG2 3.74Å; V139-V155 VanDerWaalsContact O-CG2 3.28Å; V139-V155 WeakPolarHBondContact O-CG2 3.37Å
140K88.4Confident86.5Confident143 Ų14378 Ų7862%0.62241%0.41SS*.EExtended strand (participates in β ladder)trans-75.4149.8173.7-73.8177.3176.5-172.80110.5F148 M149K140-F148 CarbonylContact C-O 3.58Å; K140-F148 WeakPolarHBondContact CA-O 3.31Å; K140-M149 HydrophobicContact CB-CG 4.38Å; K140-M149 HydrophobicContact CD-SD 4.25Å; K140-M149 WeakPolarHBondContact CE-SD 3.39Å; K140-M149 HydrophobicContact CG-CE 4.3Å; K140-M149 HydrophobicContact CG-CG 3.49Å; K140-M149 VanDerWaalsContact CG-CG 3.49Å; K140-M149 HydrophobicContact CG-SD 3.68Å
141C89.6Confident86.7Confident11 Ų1174.5 Ų74.57%0.07440%0.395CS..  trans-61.6143.5168.3-170.40000110.8V143 C146 F148 V155 H158C141-V143 VanDerWaalsContact C-N 3.26Å; C141-V143 PolarHBondContact O-N 2.86Å; C141-C146 HydrophobicContact CB-CB 3.92Å; C141-F148 HydrophobicContact CB-CB 4.27Å; C141-F148 PolarHBondContact N-O 3.14Å; C141-V155 HydrophobicContact CB-CG1 4.29Å; C141-H158 VanDerWaalsContact SG-CD2 3.51Å; C141-H158 PolarHBondContact SG-NE2 3.02Å
142S84.8Confident86.7Confident101 Ų10175.3 Ų75.371%0.70641%0.406SS*.SBendtrans-82.74.1-176.1-440000114.3
143V83.5Confident86.6Confident35 Ų3579.6 Ų79.621%0.21242%0.422CS..SBendtrans-90128.5177.9168.30000110C141 D145 C146 W159 H163C141-V143 VanDerWaalsContact C-N 3.26Å; C141-V143 PolarHBondContact O-N 2.86Å; V143-D145 PolarHBondContact O-N 3.19Å; V143-C146 HydrophobicContact CB-CB 3.98Å; V143-C146 HydrophobicContact CG1-CB 4.25Å; V143-C146 WeakPolarHBondContact O-CB 3.4Å; V143-C146 PolarHBondContact O-N 3.38Å; V143-W159 HydrophobicContact CB-CZ3 4.27Å; V143-W159 HydrophobicContact CG2-CE3 3.67Å; V143-W159 HydrophobicContact CG2-CH2 3.68Å; V143-W159 HydrophobicContact CG2-CZ3 3.15Å; V143-H163 HydrophobicContact CG2-CB 3.72Å; V143-H163 VanDerWaalsContact CG2-CG 3.41Å
144P73.5Confident86.4Confident109 Ų10977.1 Ų77.171%0.70841%0.412SS*.THydrogen-bonded Turntrans-54.8139.816724.9-34.2000109.9C146P144-C146 VanDerWaalsContact C-N 3.29Å; P144-C146 PolarHBondContact O-N 3.36Å
145D75.9Confident86.3Confident166 Ų16677.6 Ų77.689%0.88842%0.415SS*.THydrogen-bonded Turntrans72.90.4-171.8-46.9-35000116.6V143V143-D145 PolarHBondContact O-N 3.19Å
146C84.9Confident86.3Confident25 Ų2577.6 Ų77.617%0.16942%0.421CS..  trans-98106174.4-167.60000114.3C141 V143 P144 F148 H158 H163C141-C146 HydrophobicContact CB-CB 3.92Å; V143-C146 HydrophobicContact CB-CB 3.98Å; V143-C146 HydrophobicContact CG1-CB 4.25Å; V143-C146 WeakPolarHBondContact O-CB 3.4Å; V143-C146 PolarHBondContact O-N 3.38Å; P144-C146 VanDerWaalsContact C-N 3.29Å; P144-C146 PolarHBondContact O-N 3.36Å; C146-F148 VanDerWaalsContact C-N 3.28Å; C146-F148 PolarHBondContact O-N 2.79Å; C146-H158 VanDerWaalsContact SG-CE1 3.51Å; C146-H158 PolarHBondContact SG-NE2 3.45Å; C146-H163 PolarHBondContact SG-NE2 2.88Å
147N84.8Confident86.1Confident157 Ų15774.7 Ų74.784%0.8441%0.405SS*.  trans-81.611.8178.9-70.4-49.4000115.2M149N147-M149 PolarHBondContact O-N 3.07Å
148F84.9Confident86.1Confident62 Ų6271.7 Ų71.727%0.27239%0.391SS..  trans-69.2128-178.3-175.7-100.7000111.9K140 C141 C146 A150 V155 H158K140-F148 CarbonylContact C-O 3.58Å; K140-F148 WeakPolarHBondContact CA-O 3.31Å; C141-F148 HydrophobicContact CB-CB 4.27Å; C141-F148 PolarHBondContact N-O 3.14Å; C146-F148 VanDerWaalsContact C-N 3.28Å; C146-F148 PolarHBondContact O-N 2.79Å; F148-A150 HydrophobicContact CD1-CB 4.49Å; F148-A150 HydrophobicContact CE1-CB 3.55Å; F148-A150 HydrophobicContact CZ-CB 3.58Å; F148-V155 HydrophobicContact CD1-CG2 4.35Å; F148-V155 HydrophobicContact CE1-CG2 4.2Å; F148-H158 HydrophobicContact CD1-CB 3.72Å; F148-H158 AromaticContact CD1-CD2 3.45Å; F148-H158 VanDerWaalsContact CD1-CD2 3.45Å; F148-H158 WeakPolarHBondContact CD1-CD2 3.41Å; F148-H158 AromaticContact CD1-CG 3.5Å; F148-H158 HydrophobicContact CE1-CB 3.6Å; F148-H158 AromaticContact CE1-CG 3.93Å; F148-H158 HydrophobicContact CG-CB 4.3Å; F148-H158 AromaticContact CG-CD2 3.74Å; F148-H158 AromaticContact CG-CG 3.72Å; F148-H158 HydrophobicContact CZ-CB 4.11Å
149M87.3Confident85.8Confident76 Ų7675.5 Ų75.537%0.37441%0.405SS..EExtended strand (participates in β ladder)trans-129.1121.2176.5-75.5-173.264.100111T120 H138 K140 N147T120-M149 WeakPolarHBondContact CB-O 3.39Å; T120-M149 PolarHBondContact OG1-O 3.08Å; H138-M149 HydrophobicContact CB-CE 4.22Å; K140-M149 HydrophobicContact CB-CG 4.38Å; K140-M149 HydrophobicContact CD-SD 4.25Å; K140-M149 WeakPolarHBondContact CE-SD 3.39Å; K140-M149 HydrophobicContact CG-CE 4.3Å; K140-M149 HydrophobicContact CG-CG 3.49Å; K140-M149 VanDerWaalsContact CG-CG 3.49Å; K140-M149 HydrophobicContact CG-SD 3.68Å; N147-M149 PolarHBondContact O-N 3.07Å
150A90.2Very high85.6Confident0 Ų078.1 Ų78.10%041%0.412CS..EExtended strand (participates in β ladder)trans-159.3173.3175.200000110.6H138 V139 F148 V152 L154 V155H138-A150 WeakPolarHBondContact CA-O 3.32Å; V139-A150 PolarHBondContact N-O 3.42Å; V139-A150 PolarHBondContact O-N 2.84Å; F148-A150 HydrophobicContact CD1-CB 4.49Å; F148-A150 HydrophobicContact CE1-CB 3.55Å; F148-A150 HydrophobicContact CZ-CB 3.58Å; A150-V152 PolarHBondContact O-N 3.41Å; A150-L154 HydrophobicContact CB-CB 3.78Å; A150-L154 HydrophobicContact CB-CD1 4.28Å; A150-V155 HydrophobicContact CB-CG2 4.31Å; A150-V155 WeakPolarHBondContact O-CG2 3.48Å
151H90.6Very high85.2Confident38 Ų3876.1 Ų76.118%0.17641%0.408CS..EExtended strand (participates in β ladder)trans-58.3130.8171170.5-73.5000111.4C121 Q137 K153 L154C121-H151 PolarHBondContact SG-N 3.25Å; C121-H151 VanDerWaalsContact SG-N 3.45Å; Q137-H151 WeakPolarHBondContact O-CA 3.49Å; H151-K153 VanDerWaalsContact C-N 3.31Å; H151-K153 PolarHBondContact O-N 3Å; H151-L154 WeakPolarHBondContact O-CB 3.39Å; H151-L154 PolarHBondContact O-N 3.02Å
152V87.6Confident84.6Confident84 Ų8477.5 Ų77.551%0.50942%0.418SS..Hα-helixtrans-24.8-54.2-172.9-1760000116.4V139 A150 L154 V155 A156V139-V152 HydrophobicContact CB-CG2 4.46Å; V139-V152 HydrophobicContact CG2-CG2 3.74Å; A150-V152 PolarHBondContact O-N 3.41Å; V152-L154 VanDerWaalsContact C-N 3.26Å; V152-L154 PolarHBondContact O-N 3Å; V152-V155 WeakPolarHBondContact O-CA 3.39Å; V152-V155 WeakPolarHBondContact O-CB 3.43Å; V152-V155 PolarHBondContact O-N 3.5Å; V152-A156 PolarHBondContact O-N 2.88Å
153K86.9Confident84.4Confident155 Ų15574.9 Ų74.967%0.67439%0.394SS*.Hα-helixtrans-54.3-37.6179-67.4-172.4177.3-170.90114.1H151 I157H151-K153 VanDerWaalsContact C-N 3.31Å; H151-K153 PolarHBondContact O-N 3Å; K153-I157 WeakPolarHBondContact O-CD1 3.32Å; K153-I157 VanDerWaalsContact O-CG1 3.31Å; K153-I157 WeakPolarHBondContact O-CG1 3.4Å; K153-I157 PolarHBondContact O-N 3.17Å; K153-I157 VanDerWaalsContact O-N 3.14Å
154L86.8Confident84.1Confident56 Ų5674.3 Ų74.329%0.29339%0.394SS..Hα-helixtrans-77.1-30.2177.8-65.8169.8000111.7T120 C121 A150 H151 V152 I157 H158T120-L154 WeakPolarHBondContact O-CD1 3.29Å; C121-L154 HydrophobicContact CB-CD1 4.04Å; A150-L154 HydrophobicContact CB-CB 3.78Å; A150-L154 HydrophobicContact CB-CD1 4.28Å; H151-L154 WeakPolarHBondContact O-CB 3.39Å; H151-L154 PolarHBondContact O-N 3.02Å; V152-L154 VanDerWaalsContact C-N 3.26Å; V152-L154 PolarHBondContact O-N 3Å; L154-I157 HydrophobicContact CD2-CD1 4.47Å; L154-I157 PolarHBondContact O-N 3.46Å; L154-H158 VanDerWaalsContact O-CB 3.22Å; L154-H158 WeakPolarHBondContact O-CB 3.36Å; L154-H158 PolarHBondContact O-N 3.43Å
155V88.3Confident83.6Confident13 Ų1375.2 Ų75.28%0.07940%0.4CS..Hα-helixtrans-66.4-40.7172-172.40000110.6V139 C141 F148 A150 V152 H158 W159V139-V155 VanDerWaalsContact O-CG2 3.28Å; V139-V155 WeakPolarHBondContact O-CG2 3.37Å; C141-V155 HydrophobicContact CB-CG1 4.29Å; F148-V155 HydrophobicContact CD1-CG2 4.35Å; F148-V155 HydrophobicContact CE1-CG2 4.2Å; A150-V155 HydrophobicContact CB-CG2 4.31Å; A150-V155 WeakPolarHBondContact O-CG2 3.48Å; V152-V155 WeakPolarHBondContact O-CA 3.39Å; V152-V155 WeakPolarHBondContact O-CB 3.43Å; V152-V155 PolarHBondContact O-N 3.5Å; V155-H158 PolarHBondContact O-N 2.75Å; V155-W159 WeakPolarHBondContact O-CB 3.48Å; V155-W159 PolarHBondContact O-N 3.18Å
156A85.8Confident83Confident56 Ų5670.8 Ų70.846%0.46339%0.393SS..Hα-helixtrans-62.3-47.4173.200000112.1V152 H158 W159 E160V152-A156 PolarHBondContact O-N 2.88Å; A156-H158 VanDerWaalsContact C-N 3.34Å; A156-H158 PolarHBondContact O-N 2.91Å; A156-W159 PolarHBondContact O-N 3.17Å; A156-E160 WeakPolarHBondContact O-CB 3.43Å; A156-E160 PolarHBondContact O-N 3.49Å
157I85.7Confident81.6Confident87 Ų8770.5 Ų70.545%0.44639%0.393SS..Hα-helixtrans-62.4-40.3175.7-69.1164.4000111.2K153 L154 E160 N161K153-I157 WeakPolarHBondContact O-CD1 3.32Å; K153-I157 VanDerWaalsContact O-CG1 3.31Å; K153-I157 WeakPolarHBondContact O-CG1 3.4Å; K153-I157 PolarHBondContact O-N 3.17Å; K153-I157 VanDerWaalsContact O-N 3.14Å; L154-I157 HydrophobicContact CD2-CD1 4.47Å; L154-I157 PolarHBondContact O-N 3.46Å; I157-E160 PolarHBondContact O-N 3.21Å; I157-N161 WeakPolarHBondContact O-CB 3.33Å; I157-N161 PolarHBondContact O-N 3.31Å; I157-N161 PolarHBondContact O-ND2 2.86Å
158H87.4Confident80.2Confident31 Ų3172.8 Ų72.814%0.14440%0.395CS..Hα-helixtrans-63.7-46.2175.5156.367.4000111.6C141 C146 F148 L154 V155 A156 N161 S162 H163C141-H158 VanDerWaalsContact SG-CD2 3.51Å; C141-H158 PolarHBondContact SG-NE2 3.02Å; C146-H158 VanDerWaalsContact SG-CE1 3.51Å; C146-H158 PolarHBondContact SG-NE2 3.45Å; F148-H158 HydrophobicContact CD1-CB 3.72Å; F148-H158 AromaticContact CD1-CD2 3.45Å; F148-H158 VanDerWaalsContact CD1-CD2 3.45Å; F148-H158 WeakPolarHBondContact CD1-CD2 3.41Å; F148-H158 AromaticContact CD1-CG 3.5Å; F148-H158 HydrophobicContact CE1-CB 3.6Å; F148-H158 AromaticContact CE1-CG 3.93Å; F148-H158 HydrophobicContact CG-CB 4.3Å; F148-H158 AromaticContact CG-CD2 3.74Å; F148-H158 AromaticContact CG-CG 3.72Å; F148-H158 HydrophobicContact CZ-CB 4.11Å; L154-H158 VanDerWaalsContact O-CB 3.22Å; L154-H158 WeakPolarHBondContact O-CB 3.36Å; L154-H158 PolarHBondContact O-N 3.43Å; V155-H158 PolarHBondContact O-N 2.75Å; A156-H158 VanDerWaalsContact C-N 3.34Å; A156-H158 PolarHBondContact O-N 2.91Å; H158-N161 PolarHBondContact O-N 3.3Å; H158-S162 PolarHBondContact ND1-OG 2.81Å; H158-S162 WeakPolarHBondContact O-CB 3.33Å; H158-S162 PolarHBondContact O-N 3.2Å; H158-S162 PolarHBondContact O-OG 3.5Å; H158-H163 AromaticContact CE1-CD2 3.82Å; H158-H163 AromaticContact CE1-NE2 3.49Å; H158-H163 PolarHBondContact CE1-NE2 3.49Å; H158-H163 AromaticContact NE2-CD2 3.42Å; H158-H163 PolarHBondContact NE2-CD2 2.87Å; H158-H163 AromaticContact NE2-NE2 3.24Å; H158-H163 PolarHBondContact NE2-NE2 2.9Å
159W86.1Confident79Confident107 Ų10775 Ų7541%0.40540%0.401SS..Hα-helixtrans-56.9-49.8174.1176.4-76.4000111.2V143 V155 A156 N161 S162 H163 A164V143-W159 HydrophobicContact CB-CZ3 4.27Å; V143-W159 HydrophobicContact CG2-CE3 3.67Å; V143-W159 HydrophobicContact CG2-CH2 3.68Å; V143-W159 HydrophobicContact CG2-CZ3 3.15Å; V155-W159 WeakPolarHBondContact O-CB 3.48Å; V155-W159 PolarHBondContact O-N 3.18Å; A156-W159 PolarHBondContact O-N 3.17Å; W159-N161 VanDerWaalsContact C-N 3.3Å; W159-N161 PolarHBondContact O-N 2.85Å; W159-S162 PolarHBondContact O-N 3.36Å; W159-H163 HydrophobicContact CD2-CB 4.09Å; W159-H163 HydrophobicContact CE3-CB 4.31Å; W159-H163 HydrophobicContact CG-CB 4.34Å; W159-H163 CarbonylContact O-C 3.6Å; W159-H163 WeakPolarHBondContact O-CA 3.44Å; W159-H163 PolarHBondContact O-N 2.93Å; W159-A164 PolarHBondContact O-N 3.09Å
160E83.8Confident77.7Confident128 Ų12876.1 Ų76.160%0.59841%0.408SS*.Hα-helixtrans-58.7-39.3178.4-171.1174.6-159.200112.5A156 I157A156-E160 WeakPolarHBondContact O-CB 3.43Å; A156-E160 PolarHBondContact O-N 3.49Å; I157-E160 PolarHBondContact O-N 3.21Å
161N81.7Confident76.2Confident102 Ų10281.3 Ų81.355%0.54543%0.431SS..Hα-helixtrans-87.6-15.5-178.4-74.9-82.4000115.1I157 H158 W159I157-N161 WeakPolarHBondContact O-CB 3.33Å; I157-N161 PolarHBondContact O-N 3.31Å; I157-N161 PolarHBondContact O-ND2 2.86Å; H158-N161 PolarHBondContact O-N 3.3Å; W159-N161 VanDerWaalsContact C-N 3.3Å; W159-N161 PolarHBondContact O-N 2.85Å
162S77.1Confident74.7Confident39 Ų3982.5 Ų82.527%0.27344%0.438SS..Hα-helixtrans-123.5-29.2-170.8-47.90000114.7H158 W159 R169H158-S162 PolarHBondContact ND1-OG 2.81Å; H158-S162 WeakPolarHBondContact O-CB 3.33Å; H158-S162 PolarHBondContact O-N 3.2Å; H158-S162 PolarHBondContact O-OG 3.5Å; W159-S162 PolarHBondContact O-N 3.36Å; S162-R169 PolarHBondContact O-NH1 3.09Å
163H79.7Confident73.5Confident46 Ų4683.3 Ų83.321%0.21344%0.439CS..THydrogen-bonded Turntrans-127.1-24.1-167.2-63.1-60.6000114.5V143 C146 H158 W159V143-H163 HydrophobicContact CG2-CB 3.72Å; V143-H163 VanDerWaalsContact CG2-CG 3.41Å; C146-H163 PolarHBondContact SG-NE2 2.88Å; H158-H163 AromaticContact CE1-CD2 3.82Å; H158-H163 AromaticContact CE1-NE2 3.49Å; H158-H163 PolarHBondContact CE1-NE2 3.49Å; H158-H163 AromaticContact NE2-CD2 3.42Å; H158-H163 PolarHBondContact NE2-CD2 2.87Å; H158-H163 AromaticContact NE2-NE2 3.24Å; H158-H163 PolarHBondContact NE2-NE2 2.9Å; W159-H163 HydrophobicContact CD2-CB 4.09Å; W159-H163 HydrophobicContact CE3-CB 4.31Å; W159-H163 HydrophobicContact CG-CB 4.34Å; W159-H163 CarbonylContact O-C 3.6Å; W159-H163 WeakPolarHBondContact O-CA 3.44Å; W159-H163 PolarHBondContact O-N 2.93Å
164A77Confident73.1Confident24 Ų2478.7 Ų78.720%0.19842%0.424CS..SBendtrans-61.4148.8176.600000112.7W159 G166 A167W159-A164 PolarHBondContact O-N 3.09Å; A164-G166 PolarHBondContact O-N 3.49Å; A164-A167 HydrophobicContact CB-CB 4.5Å; A164-A167 WeakPolarHBondContact O-CB 3.48Å; A164-A167 PolarHBondContact O-N 2.96Å
165P64.1Low72.7Confident128 Ų12881 Ų8183%0.83144%0.442SS*.THydrogen-bonded Turntrans-63.312017227.2-33.7000109.8
166G62.1Low72.1Confident73 Ų7386.9 Ų86.975%0.75347%0.469SS*.THydrogen-bonded Turntrans94.5-2.6-173.200000114.9A164A164-G166 PolarHBondContact O-N 3.49Å
167A56.1Low71.8Confident19 Ų1988 Ų8816%0.15747%0.465CS..  trans-56146166.600000111A164 R169A164-A167 HydrophobicContact CB-CB 4.5Å; A164-A167 WeakPolarHBondContact O-CB 3.48Å; A164-A167 PolarHBondContact O-N 2.96Å; A167-R169 PolarHBondContact O-N 2.96Å
168K56.2Low71.4Confident204 Ų20485.9 Ų85.989%0.88745%0.454SS*.SBendtrans-7526.6-176.3-64.6179.2-178.5172.80114.3I170K168-I170 PolarHBondContact O-N 3.4Å
169R59Low71.2Confident109 Ų10986.7 Ų86.741%0.41147%0.466SS..  trans-65.3118.8158-170.5176.683.7-126.79.9106.2S162 A167 K171 D173S162-R169 PolarHBondContact O-NH1 3.09Å; A167-R169 PolarHBondContact O-N 2.96Å; R169-K171 PolarHBondContact O-N 3.46Å; R169-D173 IonicContact CZ-OD2 3.77Å; R169-D173 IonicContact NE-OD2 3.86Å; R169-D173 IonicContact NH2-OD2 2.81Å; R169-D173 PolarHBondContact NH2-OD2 2.82Å
170I60.4Low71.2Confident100 Ų10088.7 Ų88.751%0.51348%0.477SS..  trans-63.2107.8168.2-49.1177000105K168 L172 W181K168-I170 PolarHBondContact O-N 3.4Å; I170-L172 VanDerWaalsContact C-N 3.31Å; I170-L172 HydrophobicContact CB-CG 4.35Å; I170-L172 HydrophobicContact CG2-CD1 4.39Å; I170-L172 HydrophobicContact CG2-CD2 3.75Å; I170-L172 HydrophobicContact CG2-CG 3.76Å; I170-L172 PolarHBondContact O-N 3.36Å; I170-W181 HydrophobicContact CD1-CZ2 4.08Å
171K59Low71.1Confident109 Ų10986.8 Ų86.847%0.47447%0.465SS..  trans-67.899.4171.8-68.5-172.7-178.7-178.90106.6R169 D173R169-K171 PolarHBondContact O-N 3.46Å; K171-D173 HydrophobicContact CB-CB 4.49Å
172L57.6Low71.1Confident62 Ų6289.4 Ų89.433%0.32547%0.467SS..  trans-105.539.4166.6-65.3-174.5000106.6I170 I178 W181I170-L172 VanDerWaalsContact C-N 3.31Å; I170-L172 HydrophobicContact CB-CG 4.35Å; I170-L172 HydrophobicContact CG2-CD1 4.39Å; I170-L172 HydrophobicContact CG2-CD2 3.75Å; I170-L172 HydrophobicContact CG2-CG 3.76Å; I170-L172 PolarHBondContact O-N 3.36Å; L172-I178 HydrophobicContact CB-CD1 4.15Å; L172-I178 HydrophobicContact CB-CG1 3.64Å; L172-I178 HydrophobicContact CD2-CG1 3.97Å; L172-I178 HydrophobicContact CG-CG1 4.24Å; L172-I178 WeakPolarHBondContact O-CD1 3.21Å; L172-W181 HydrophobicContact CD2-CB 4.16Å; L172-W181 HydrophobicContact CD2-CD2 4.33Å; L172-W181 HydrophobicContact CD2-CG 4.13Å
173D63.7Low71.4Confident101 Ų10191.9 Ų91.954%0.5447%0.474SS..  trans-88.1-18.4-166.4-58-0.3000108.9R169 K171R169-D173 IonicContact CZ-OD2 3.77Å; R169-D173 IonicContact NE-OD2 3.86Å; R169-D173 IonicContact NH2-OD2 2.81Å; R169-D173 PolarHBondContact NH2-OD2 2.82Å; K171-D173 HydrophobicContact CB-CB 4.49Å
174T76.9Confident71.5Confident58 Ų5894.8 Ų94.836%0.35649%0.488SS..SBendtrans-111150.3164.671.20000112.8E176 E177 I178T174-E176 PolarHBondContact O-N 3.1Å; T174-E177 WeakPolarHBondContact CB-OE2 3.48Å; T174-E177 WeakPolarHBondContact CG2-OE2 3.16Å; T174-E177 PolarHBondContact N-OE2 3.09Å; T174-E177 VanDerWaalsContact N-OE2 3.16Å; T174-E177 WeakPolarHBondContact OG1-CB 3.43Å; T174-E177 WeakPolarHBondContact OG1-CG 3.34Å; T174-E177 PolarHBondContact OG1-N 2.79Å; T174-E177 VanDerWaalsContact OG1-N 3.14Å; T174-E177 PolarHBondContact OG1-OE2 3.13Å; T174-I178 WeakPolarHBondContact O-CG1 3.28Å; T174-I178 PolarHBondContact O-N 2.84Å
175P78.3Confident71.8Confident104 Ų104100.4 Ų100.468%0.67550%0.504SS*.Hα-helixtrans-67.2-23.7174.928.1-35.1000113.2I178 A179P175-I178 WeakPolarHBondContact O-CB 3.49Å; P175-A179 PolarHBondContact O-N 3.36Å
176E76.8Confident72.7Confident138 Ų138101.6 Ų101.665%0.64549%0.492SS*.Hα-helixtrans-76.2-40.9179.1-64-177.7-164.900112.3T174 I178 A179 K180T174-E176 PolarHBondContact O-N 3.1Å; E176-I178 VanDerWaalsContact C-N 3.29Å; E176-I178 PolarHBondContact O-N 2.77Å; E176-A179 PolarHBondContact O-N 3.17Å; E176-K180 WeakPolarHBondContact O-CG 3.44Å; E176-K180 PolarHBondContact O-N 3.29Å
177E78.8Confident73.6Confident79 Ų79105.4 Ų105.437%0.36949%0.488SS..Hα-helixtrans-61.6-39.9169.3-70.7162.3137.600110.7T174 A179 K180 W181T174-E177 WeakPolarHBondContact CB-OE2 3.48Å; T174-E177 WeakPolarHBondContact CG2-OE2 3.16Å; T174-E177 PolarHBondContact N-OE2 3.09Å; T174-E177 VanDerWaalsContact N-OE2 3.16Å; T174-E177 WeakPolarHBondContact OG1-CB 3.43Å; T174-E177 WeakPolarHBondContact OG1-CG 3.34Å; T174-E177 PolarHBondContact OG1-N 2.79Å; T174-E177 VanDerWaalsContact OG1-N 3.14Å; T174-E177 PolarHBondContact OG1-OE2 3.13Å; E177-A179 PolarHBondContact O-N 3.44Å; E177-K180 PolarHBondContact O-N 3Å; E177-W181 WeakPolarHBondContact O-CB 3.31Å; E177-W181 PolarHBondContact O-N 2.93Å
178I76.8Confident74.7Confident43 Ų43109 Ų10922%0.22150%0.504CS..Hα-helixtrans-59.8-44.5172.4-70.6165.4000111.4L172 T174 P175 E176 R182L172-I178 HydrophobicContact CB-CD1 4.15Å; L172-I178 HydrophobicContact CB-CG1 3.64Å; L172-I178 HydrophobicContact CD2-CG1 3.97Å; L172-I178 HydrophobicContact CG-CG1 4.24Å; L172-I178 WeakPolarHBondContact O-CD1 3.21Å; T174-I178 WeakPolarHBondContact O-CG1 3.28Å; T174-I178 PolarHBondContact O-N 2.84Å; P175-I178 WeakPolarHBondContact O-CB 3.49Å; E176-I178 VanDerWaalsContact C-N 3.29Å; E176-I178 PolarHBondContact O-N 2.77Å; I178-R182 HydrophobicContact CG2-CG 4.38Å; I178-R182 VanDerWaalsContact CG2-CZ 3.48Å; I178-R182 VanDerWaalsContact CG2-NE 3.29Å; I178-R182 VanDerWaalsContact O-CB 3.3Å; I178-R182 WeakPolarHBondContact O-CB 3.3Å; I178-R182 WeakPolarHBondContact O-CD 3.5Å; I178-R182 WeakPolarHBondContact O-CG 3.35Å; I178-R182 PolarHBondContact O-N 3.02Å
179A84.2Confident75.9Confident47 Ų47106.6 Ų106.639%0.38849%0.491SS..Hα-helixtrans-62.1-56.3177.200000110.4P175 E176 E177 W181 R182 E183P175-A179 PolarHBondContact O-N 3.36Å; E176-A179 PolarHBondContact O-N 3.17Å; E177-A179 PolarHBondContact O-N 3.44Å; A179-W181 VanDerWaalsContact C-N 3.34Å; A179-W181 PolarHBondContact O-N 3.2Å; A179-R182 WeakPolarHBondContact O-CB 3.29Å; A179-R182 PolarHBondContact O-N 3.49Å; A179-R182 VanDerWaalsContact O-N 3.09Å; A179-E183 VanDerWaalsContact O-CG 3.31Å; A179-E183 WeakPolarHBondContact O-CG 3.33Å; A179-E183 PolarHBondContact O-N 2.88Å
180K85.3Confident77Confident150 Ų150106 Ų10665%0.65250%0.501SS*.Hα-helixtrans-54.7-46.2179.1-71.2175.81791780112E176 E177 R182 E183 E184E176-K180 WeakPolarHBondContact O-CG 3.44Å; E176-K180 PolarHBondContact O-N 3.29Å; E177-K180 PolarHBondContact O-N 3Å; K180-R182 PolarHBondContact O-N 3.03Å; K180-E183 PolarHBondContact O-N 3.34Å; K180-E184 WeakPolarHBondContact O-CB 3.43Å; K180-E184 PolarHBondContact O-N 2.89Å
181W82.3Confident78.1Confident88 Ų88103.6 Ų103.633%0.33349%0.491SS..Hα-helixtrans-64.7-39.5177.3-174.289.2000113.1I170 L172 E177 A179 E183 R185I170-W181 HydrophobicContact CD1-CZ2 4.08Å; L172-W181 HydrophobicContact CD2-CB 4.16Å; L172-W181 HydrophobicContact CD2-CD2 4.33Å; L172-W181 HydrophobicContact CD2-CG 4.13Å; E177-W181 WeakPolarHBondContact O-CB 3.31Å; E177-W181 PolarHBondContact O-N 2.93Å; A179-W181 VanDerWaalsContact C-N 3.34Å; A179-W181 PolarHBondContact O-N 3.2Å; W181-E183 VanDerWaalsContact C-N 3.32Å; W181-R185 HydrophobicContact CD2-CG 4.48Å; W181-R185 VanDerWaalsContact O-CB 3.29Å; W181-R185 WeakPolarHBondContact O-CB 3.39Å; W181-R185 WeakPolarHBondContact O-CG 3.39Å; W181-R185 PolarHBondContact O-N 3.27Å; W181-R185 VanDerWaalsContact O-N 3.09Å
182R81.2Confident79.2Confident157 Ų157105.6 Ų105.659%0.59251%0.505SS*.Hα-helixtrans-64.8-37.3173.6-76.2171.3-178.9-175.64.2111.4I178 A179 K180 R186I178-R182 HydrophobicContact CG2-CG 4.38Å; I178-R182 VanDerWaalsContact CG2-CZ 3.48Å; I178-R182 VanDerWaalsContact CG2-NE 3.29Å; I178-R182 VanDerWaalsContact O-CB 3.3Å; I178-R182 WeakPolarHBondContact O-CB 3.3Å; I178-R182 WeakPolarHBondContact O-CD 3.5Å; I178-R182 WeakPolarHBondContact O-CG 3.35Å; I178-R182 PolarHBondContact O-N 3.02Å; A179-R182 WeakPolarHBondContact O-CB 3.29Å; A179-R182 PolarHBondContact O-N 3.49Å; A179-R182 VanDerWaalsContact O-N 3.09Å; K180-R182 PolarHBondContact O-N 3.03Å; R182-R186 VanDerWaalsContact O-CB 3.28Å; R182-R186 WeakPolarHBondContact O-CB 3.22Å; R182-R186 PolarHBondContact O-N 3.36Å
183E84Confident80.5Confident90 Ų90109.3 Ų109.342%0.42152%0.521SS..Hα-helixtrans-78.6-42.3-178.4-65.4-156.5151.100113.3A179 K180 W181 R185 R186 K187A179-E183 VanDerWaalsContact O-CG 3.31Å; A179-E183 WeakPolarHBondContact O-CG 3.33Å; A179-E183 PolarHBondContact O-N 2.88Å; K180-E183 PolarHBondContact O-N 3.34Å; W181-E183 VanDerWaalsContact C-N 3.32Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 2.75Å; E183-R186 CarbonylContact O-C 3.57Å; E183-R186 WeakPolarHBondContact O-CB 3.24Å; E183-R186 PolarHBondContact O-N 3.1Å; E183-R186 VanDerWaalsContact O-N 3.1Å; E183-R186 IonicContact OE1-NH1 2.69Å; E183-R186 PolarHBondContact OE1-NH1 3.11Å; E183-K187 WeakPolarHBondContact O-CB 3.48Å; E183-K187 VanDerWaalsContact O-CG 3.31Å; E183-K187 WeakPolarHBondContact O-CG 3.33Å; E183-K187 PolarHBondContact O-N 3.13Å
184E82.4Confident81.4Confident107 Ų107105.2 Ų105.250%0.550%0.499SS..Hα-helixtrans-56.8-44.5170.6-167.6-137.9135.200110.4K180 R186 K187 N188K180-E184 WeakPolarHBondContact O-CB 3.43Å; K180-E184 PolarHBondContact O-N 2.89Å; E184-R186 VanDerWaalsContact C-N 3.35Å; E184-R186 PolarHBondContact O-N 2.82Å; E184-K187 PolarHBondContact O-N 2.88Å; E184-N188 WeakPolarHBondContact O-CB 3.46Å; E184-N188 PolarHBondContact O-N 3.1Å
185R82.1Confident81.7Confident142 Ų142106.5 Ų106.554%0.53650%0.503SS..Hα-helixtrans-73.5-21.3176.4-66.9-178.766.9761.8114.3W181 E183 Y189W181-R185 HydrophobicContact CD2-CG 4.48Å; W181-R185 VanDerWaalsContact O-CB 3.29Å; W181-R185 WeakPolarHBondContact O-CB 3.39Å; W181-R185 WeakPolarHBondContact O-CG 3.39Å; W181-R185 PolarHBondContact O-N 3.27Å; W181-R185 VanDerWaalsContact O-N 3.09Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 2.75Å; R185-Y189 WeakPolarHBondContact O-CB 3.15Å; R185-Y189 PolarHBondContact O-N 3.37Å; R185-Y189 VanDerWaalsContact O-N 3.09Å
186R84.3Confident82.1Confident153 Ų153106 Ų10658%0.57749%0.491SS*.Hα-helixtrans-74.7-46.8169-167.6-169.7-59.4139.32.5110.1R182 E183 E184 N188 Y189R182-R186 VanDerWaalsContact O-CB 3.28Å; R182-R186 WeakPolarHBondContact O-CB 3.22Å; R182-R186 PolarHBondContact O-N 3.36Å; E183-R186 CarbonylContact O-C 3.57Å; E183-R186 WeakPolarHBondContact O-CB 3.24Å; E183-R186 PolarHBondContact O-N 3.1Å; E183-R186 VanDerWaalsContact O-N 3.1Å; E183-R186 IonicContact OE1-NH1 2.69Å; E183-R186 PolarHBondContact OE1-NH1 3.11Å; E184-R186 VanDerWaalsContact C-N 3.35Å; E184-R186 PolarHBondContact O-N 2.82Å; R186-N188 VanDerWaalsContact C-N 3.3Å; R186-N188 PolarHBondContact O-N 3.31Å; R186-Y189 VanDerWaalsContact O-CB 3.32Å; R186-Y189 WeakPolarHBondContact O-CB 3.41Å; R186-Y189 PolarHBondContact O-N 2.93Å
187K81Confident82.6Confident154 Ų154104.8 Ų104.867%0.6748%0.481SS*.Hα-helixtrans-58.7-38.1173.1-72.5174.4179.7-179.20111.7E183 E184 N194E183-K187 WeakPolarHBondContact O-CB 3.48Å; E183-K187 VanDerWaalsContact O-CG 3.31Å; E183-K187 WeakPolarHBondContact O-CG 3.33Å; E183-K187 PolarHBondContact O-N 3.13Å; E184-K187 PolarHBondContact O-N 2.88Å; K187-N194 PolarHBondContact O-ND2 3.23Å
188N78.8Confident82.9Confident94 Ų94107.5 Ų107.550%0.50349%0.491SS..THydrogen-bonded Turntrans-92.94.9177.2-84.2-48.8000115.2E184 R186E184-N188 WeakPolarHBondContact O-CB 3.46Å; E184-N188 PolarHBondContact O-N 3.1Å; R186-N188 VanDerWaalsContact C-N 3.3Å; R186-N188 PolarHBondContact O-N 3.31Å
189Y80.4Confident83.4Confident154 Ų154112.2 Ų112.260%0.60451%0.51SS*.SBendtrans-64.6151.1-179.8-165.1-97000111.5R185 R186 T191 N194R185-Y189 WeakPolarHBondContact O-CB 3.15Å; R185-Y189 PolarHBondContact O-N 3.37Å; R185-Y189 VanDerWaalsContact O-N 3.09Å; R186-Y189 VanDerWaalsContact O-CB 3.32Å; R186-Y189 WeakPolarHBondContact O-CB 3.41Å; R186-Y189 PolarHBondContact O-N 2.93Å; Y189-T191 HydrophobicContact CD1-CG2 4.13Å; Y189-T191 PolarHBondContact O-N 3.35Å; Y189-N194 PolarHBondContact O-ND2 3.14Å
190P82.8Confident83.5Confident96 Ų96116.3 Ų116.362%0.62352%0.516SS*.  trans-66.860.7173.2-23.436.6000115
191T83.8Confident83.5Confident50 Ų50113.6 Ų113.631%0.30751%0.511SS..  trans-78.1159.5170.267.90000111Y189 Q193 N194 I195Y189-T191 HydrophobicContact CD1-CG2 4.13Å; Y189-T191 PolarHBondContact O-N 3.35Å; T191-Q193 VanDerWaalsContact C-N 3.3Å; T191-Q193 PolarHBondContact O-N 3.28Å; T191-N194 PolarHBondContact O-N 3.16Å; T191-N194 VanDerWaalsContact O-N 3.14Å; T191-N194 WeakPolarHBondContact OG1-CB 3.45Å; T191-N194 VanDerWaalsContact OG1-CG 3.27Å; T191-N194 PolarHBondContact OG1-N 3.24Å; T191-N194 PolarHBondContact OG1-ND2 2.96Å; T191-I195 WeakPolarHBondContact O-CG1 3.5Å; T191-I195 PolarHBondContact O-N 3Å
192I82.4Confident83.4Confident150 Ų150113 Ų11377%0.76951%0.514SS*.Hα-helixtrans-55.7-46.2177.8-59.8173.7000110.7N194 I195 E196I192-N194 PolarHBondContact O-N 3.16Å; I192-I195 PolarHBondContact O-N 2.84Å; I192-E196 WeakPolarHBondContact O-CB 3.43Å; I192-E196 PolarHBondContact O-N 2.87Å
193Q83.5Confident83.6Confident140 Ų140110.4 Ų110.465%0.65451%0.508SS*.Hα-helixtrans-61.6-38.5177.7-67.4176.4-12.900113.1T191 E196 R197T191-Q193 VanDerWaalsContact C-N 3.3Å; T191-Q193 PolarHBondContact O-N 3.28Å; Q193-E196 PolarHBondContact O-N 2.98Å; Q193-R197 WeakPolarHBondContact O-CB 3.42Å; Q193-R197 PolarHBondContact O-N 2.65Å
194N83Confident83.6Confident16 Ų16109.2 Ų109.29%0.08651%0.507CS..Hα-helixtrans-73.9-34.9178.1-74.4-20.7000112.5K187 Y189 T191 I192 E196 R197 K198K187-N194 PolarHBondContact O-ND2 3.23Å; Y189-N194 PolarHBondContact O-ND2 3.14Å; T191-N194 PolarHBondContact O-N 3.16Å; T191-N194 VanDerWaalsContact O-N 3.14Å; T191-N194 WeakPolarHBondContact OG1-CB 3.45Å; T191-N194 VanDerWaalsContact OG1-CG 3.27Å; T191-N194 PolarHBondContact OG1-N 3.24Å; T191-N194 PolarHBondContact OG1-ND2 2.96Å; I192-N194 PolarHBondContact O-N 3.16Å; N194-E196 VanDerWaalsContact C-N 3.34Å; N194-R197 PolarHBondContact OD1-NH1 3.33Å; N194-K198 WeakPolarHBondContact O-CB 3.43Å; N194-K198 WeakPolarHBondContact O-CG 3.16Å; N194-K198 PolarHBondContact O-N 3.14Å; N194-K198 VanDerWaalsContact O-N 3.1Å
195I83.5Confident83.5Confident84 Ų84109 Ų10943%0.43150%0.501SS..Hα-helixtrans-65.2-42.2171.7-67.4163.6000109.6T191 I192 K198 K199T191-I195 WeakPolarHBondContact O-CG1 3.5Å; T191-I195 PolarHBondContact O-N 3Å; I192-I195 PolarHBondContact O-N 2.84Å; I195-K198 PolarHBondContact O-N 3.42Å; I195-K199 WeakPolarHBondContact O-CG 3.48Å; I195-K199 PolarHBondContact O-N 3.4Å
196E87.7Confident83.3Confident93 Ų93107 Ų10744%0.43550%0.498SS..Hα-helixtrans-67.2-42.2176.3-170.5-165.1-126.400112.8I192 Q193 N194 K198 K199 R200I192-E196 WeakPolarHBondContact O-CB 3.43Å; I192-E196 PolarHBondContact O-N 2.87Å; Q193-E196 PolarHBondContact O-N 2.98Å; N194-E196 VanDerWaalsContact C-N 3.34Å; E196-K198 VanDerWaalsContact C-N 3.28Å; E196-K198 PolarHBondContact O-N 3.31Å; E196-K199 WeakPolarHBondContact O-CB 3.37Å; E196-K199 PolarHBondContact O-N 3.19Å; E196-R200 PolarHBondContact O-N 3.32Å; E196-R200 IonicContact OE2-CZ 3.63Å; E196-R200 IonicContact OE2-NE 3.02Å; E196-R200 IonicContact OE2-NH2 2.78Å; E196-R200 PolarHBondContact OE2-NH2 3.36Å
197R85.5Confident83Confident113 Ų113105 Ų10543%0.42650%0.495SS..Hα-helixtrans-56.8-44.8172.4-167.8-174.2-59.9111.29.8110.4Q193 N194 R200 V201Q193-R197 WeakPolarHBondContact O-CB 3.42Å; Q193-R197 PolarHBondContact O-N 2.65Å; N194-R197 PolarHBondContact OD1-NH1 3.33Å; R197-R200 PolarHBondContact O-N 2.88Å; R197-V201 WeakPolarHBondContact O-CG2 3.39Å; R197-V201 PolarHBondContact O-N 2.88Å
198K85.9Confident82.8Confident136 Ų136100.9 Ų100.959%0.59148%0.48SS*.Hα-helixtrans-66-38176.7-73.9174.9179.3174.80112.9N194 I195 E196 M202N194-K198 WeakPolarHBondContact O-CB 3.43Å; N194-K198 WeakPolarHBondContact O-CG 3.16Å; N194-K198 PolarHBondContact O-N 3.14Å; N194-K198 VanDerWaalsContact O-N 3.1Å; I195-K198 PolarHBondContact O-N 3.42Å; E196-K198 VanDerWaalsContact C-N 3.28Å; E196-K198 PolarHBondContact O-N 3.31Å; K198-M202 WeakPolarHBondContact O-CG 3.35Å; K198-M202 PolarHBondContact O-N 3.44Å; K198-M202 VanDerWaalsContact O-N 3.13Å
199K87.4Confident82.4Confident142 Ų14296.6 Ų96.662%0.61746%0.458SS*.Hα-helixtrans-60.8-49.8170.9-76.3178.6176.3-174.60111.5I195 E196 V201 M202 E203I195-K199 WeakPolarHBondContact O-CG 3.48Å; I195-K199 PolarHBondContact O-N 3.4Å; E196-K199 WeakPolarHBondContact O-CB 3.37Å; E196-K199 PolarHBondContact O-N 3.19Å; K199-V201 VanDerWaalsContact C-N 3.31Å; K199-V201 PolarHBondContact O-N 3.32Å; K199-M202 WeakPolarHBondContact O-CB 3.38Å; K199-M202 PolarHBondContact O-N 3.34Å; K199-M202 VanDerWaalsContact O-N 3.1Å; K199-E203 WeakPolarHBondContact O-CB 3.3Å; K199-E203 PolarHBondContact O-N 3.11Å
200R86.6Confident82Confident134 Ų13489.8 Ų89.851%0.50643%0.434SS..Hα-helixtrans-60.3-37.4179-75.3-173.9-85.8160-14.5112.7E196 R197 E203 V204E196-R200 PolarHBondContact O-N 3.32Å; E196-R200 IonicContact OE2-CZ 3.63Å; E196-R200 IonicContact OE2-NE 3.02Å; E196-R200 IonicContact OE2-NH2 2.78Å; E196-R200 PolarHBondContact OE2-NH2 3.36Å; R197-R200 PolarHBondContact O-N 2.88Å; R200-E203 PolarHBondContact O-N 2.93Å; R200-V204 WeakPolarHBondContact O-CB 3.43Å; R200-V204 VanDerWaalsContact O-CG2 3.29Å; R200-V204 WeakPolarHBondContact O-CG2 3.2Å; R200-V204 PolarHBondContact O-N 2.91Å
201V84.8Confident81.4Confident92 Ų9289.3 Ų89.356%0.55843%0.43SS*.Hα-helixtrans-66.3-39.4174170.80000112.1R197 K199 R205R197-V201 WeakPolarHBondContact O-CG2 3.39Å; R197-V201 PolarHBondContact O-N 2.88Å; K199-V201 VanDerWaalsContact C-N 3.31Å; K199-V201 PolarHBondContact O-N 3.32Å; V201-R205 WeakPolarHBondContact O-CB 3.15Å; V201-R205 PolarHBondContact O-N 3.2Å; V201-R205 VanDerWaalsContact O-N 3.13Å
202M80.1Confident80.9Confident77 Ų7789.9 Ų89.938%0.37943%0.43SS..Hα-helixtrans-67.4-44.1173.7-71.8-64.5-6300111.9K198 K199 R205 E206K198-M202 WeakPolarHBondContact O-CG 3.35Å; K198-M202 PolarHBondContact O-N 3.44Å; K198-M202 VanDerWaalsContact O-N 3.13Å; K199-M202 WeakPolarHBondContact O-CB 3.38Å; K199-M202 PolarHBondContact O-N 3.34Å; K199-M202 VanDerWaalsContact O-N 3.1Å; M202-R205 CarbonylContact O-C 3.59Å; M202-R205 WeakPolarHBondContact O-CA 3.39Å; M202-R205 WeakPolarHBondContact O-CB 3.47Å; M202-R205 PolarHBondContact O-N 3.48Å; M202-R205 VanDerWaalsContact O-N 3.17Å; M202-E206 WeakPolarHBondContact O-CG 3.48Å; M202-E206 PolarHBondContact O-N 3.05Å
203E84.9Confident80.2Confident101 Ų10189.3 Ų89.347%0.47242%0.424SS..Hα-helixtrans-62.1-46.4178-176.3-178-173.300111.8K199 R200 R205 E206 Q207K199-E203 WeakPolarHBondContact O-CB 3.3Å; K199-E203 PolarHBondContact O-N 3.11Å; R200-E203 PolarHBondContact O-N 2.93Å; E203-R205 VanDerWaalsContact C-N 3.27Å; E203-R205 PolarHBondContact O-N 3.34Å; E203-E206 CarbonylContact O-C 3.53Å; E203-E206 PolarHBondContact O-N 3.08Å; E203-E206 VanDerWaalsContact O-N 3.07Å; E203-Q207 HydrophobicContact CG-CG 4.47Å; E203-Q207 WeakPolarHBondContact O-CG 3.42Å; E203-Q207 PolarHBondContact O-N 3.33Å; E203-Q207 PolarHBondContact OE1-NE2 2.84Å
204V85.1Confident79.2Confident65 Ų6586.4 Ų86.439%0.39442%0.416SS..Hα-helixtrans-60-39.5174.3167.10000110.9R200 E206 Q207 I208R200-V204 WeakPolarHBondContact O-CB 3.43Å; R200-V204 VanDerWaalsContact O-CG2 3.29Å; R200-V204 WeakPolarHBondContact O-CG2 3.2Å; R200-V204 PolarHBondContact O-N 2.91Å; V204-E206 PolarHBondContact O-N 3.47Å; V204-Q207 PolarHBondContact O-N 3.21Å; V204-I208 HydrophobicContact CG1-CD1 3.69Å; V204-I208 HydrophobicContact CG1-CG1 4.44Å; V204-I208 VanDerWaalsContact O-CB 3.24Å; V204-I208 WeakPolarHBondContact O-CB 3.33Å; V204-I208 VanDerWaalsContact O-CG1 3.22Å; V204-I208 WeakPolarHBondContact O-CG1 3.4Å; V204-I208 PolarHBondContact O-N 3.25Å
205R79.1Confident78.3Confident103 Ų10389.6 Ų89.639%0.38944%0.437SS..Hα-helixtrans-63.3-38.2173.6174.1-179.6176152.72.2112.4V201 M202 E203 G209 G210 L212V201-R205 WeakPolarHBondContact O-CB 3.15Å; V201-R205 PolarHBondContact O-N 3.2Å; V201-R205 VanDerWaalsContact O-N 3.13Å; M202-R205 CarbonylContact O-C 3.59Å; M202-R205 WeakPolarHBondContact O-CA 3.39Å; M202-R205 WeakPolarHBondContact O-CB 3.47Å; M202-R205 PolarHBondContact O-N 3.48Å; M202-R205 VanDerWaalsContact O-N 3.17Å; E203-R205 VanDerWaalsContact C-N 3.27Å; E203-R205 PolarHBondContact O-N 3.34Å; R205-G209 PolarHBondContact O-N 2.81Å; R205-G210 PolarHBondContact NE-O 2.95Å; R205-G210 PolarHBondContact NH2-O 2.84Å; R205-G210 PolarHBondContact O-N 2.93Å; R205-L212 PolarHBondContact NH2-O 3.27Å
206E78.3Confident77.2Confident101 Ų10190.5 Ų90.547%0.47244%0.439SS..Hα-helixtrans-72.2-39.4176-72.9171.1-156.700112.5M202 E203 V204 G209 R414M202-E206 WeakPolarHBondContact O-CG 3.48Å; M202-E206 PolarHBondContact O-N 3.05Å; E203-E206 CarbonylContact O-C 3.53Å; E203-E206 PolarHBondContact O-N 3.08Å; E203-E206 VanDerWaalsContact O-N 3.07Å; V204-E206 PolarHBondContact O-N 3.47Å; E206-G209 WeakPolarHBondContact O-CA 3.36Å; E206-G209 PolarHBondContact O-N 3.07Å; E206-R414 PolarHBondContact O-NH1 2.75Å
207Q77.5Confident75.8Confident109 Ų10990 Ų9051%0.50944%0.436SS..Hα-helixtrans-62.2-44172.2-70.2176.910.500111.2E203 V204 G209 R414E203-Q207 HydrophobicContact CG-CG 4.47Å; E203-Q207 WeakPolarHBondContact O-CG 3.42Å; E203-Q207 PolarHBondContact O-N 3.33Å; E203-Q207 PolarHBondContact OE1-NE2 2.84Å; V204-Q207 PolarHBondContact O-N 3.21Å; Q207-G209 PolarHBondContact O-N 3.37Å; Q207-R414 PolarHBondContact O-NH1 2.94Å
208I76.8Confident74.3Confident69 Ų6988 Ų8835%0.35445%0.45SS..THydrogen-bonded Turntrans-66.4-15.7171.2-71.2171.3000112V204 A320 Q411V204-I208 HydrophobicContact CG1-CD1 3.69Å; V204-I208 HydrophobicContact CG1-CG1 4.44Å; V204-I208 VanDerWaalsContact O-CB 3.24Å; V204-I208 WeakPolarHBondContact O-CB 3.33Å; V204-I208 VanDerWaalsContact O-CG1 3.22Å; V204-I208 WeakPolarHBondContact O-CG1 3.4Å; V204-I208 PolarHBondContact O-N 3.25Å; I208-A320 HydrophobicContact CD1-CB 4.3Å; I208-Q411 WeakPolarHBondContact O-CG 3.43Å; I208-Q411 PolarHBondContact O-NE2 2.89Å
209G70.6Confident72.6Confident4 Ų490.4 Ų90.44%0.04146%0.455CS..THydrogen-bonded Turntrans85.512.1176.600000115.3R205 E206 Q207 V211R205-G209 PolarHBondContact O-N 2.81Å; E206-G209 WeakPolarHBondContact O-CA 3.36Å; E206-G209 PolarHBondContact O-N 3.07Å; Q207-G209 PolarHBondContact O-N 3.37Å; G209-V211 PolarHBondContact O-N 2.92Å
210G72.9Confident70.2Confident10 Ų1090.1 Ų90.110%0.10346%0.457CS..  trans-73.640.1173.900000114.1R205 L212 N407R205-G210 PolarHBondContact NE-O 2.95Å; R205-G210 PolarHBondContact NH2-O 2.84Å; R205-G210 PolarHBondContact O-N 2.93Å; G210-L212 VanDerWaalsContact C-N 3.35Å; G210-L212 PolarHBondContact O-N 3.39Å; G210-N407 WeakPolarHBondContact CA-OD1 3.21Å
211V69.3Low68.4Low87 Ų8795.4 Ų95.453%0.52748%0.478SS..  trans-72.1-21.9-164.2177.50000113.2G209 E213 N407G209-V211 PolarHBondContact O-N 2.92Å; V211-E213 PolarHBondContact O-N 3.18Å; V211-N407 PolarHBondContact N-OD1 3.05Å
212L73.4Confident66.3Low61 Ų6193.9 Ų93.932%0.31948%0.48SS..  trans-70.5102.4175.7-63.4175.2000110.4R205 G210 R406 N407 L410R205-L212 PolarHBondContact NH2-O 3.27Å; G210-L212 VanDerWaalsContact C-N 3.35Å; G210-L212 PolarHBondContact O-N 3.39Å; L212-R406 HydrophobicContact CD1-CB 3.36Å; L212-R406 HydrophobicContact CD1-CG 4.41Å; L212-N407 WeakPolarHBondContact CB-OD1 3.35Å; L212-N407 PolarHBondContact N-OD1 2.82Å; L212-L410 HydrophobicContact CD1-CD1 3.83Å; L212-L410 HydrophobicContact CD2-CD1 4.27Å; L212-L410 HydrophobicContact CG-CD1 3.82Å
213E68.6Low64.5Low138 Ų138100.9 Ų100.965%0.64550%0.502SS*.  trans-58.7160.6168.8-69.9-157.6137.100112.1V211 T215V211-E213 PolarHBondContact O-N 3.18Å; E213-T215 PolarHBondContact O-N 2.92Å
214T62.8Low62.4Low80 Ų8099.6 Ų99.649%0.49152%0.516SS..  trans-70.696.5170.350.50000110Q216T214-Q216 PolarHBondContact O-N 3.07Å
215T63.7Low60.5Low83 Ų83107.8 Ų107.851%0.50954%0.54SS..  trans-50.3106.2158.544.30000107.9E213 F217 R403E213-T215 PolarHBondContact O-N 2.92Å; T215-F217 WeakPolarHBondContact O-CD2 3.37Å; T215-F217 WeakPolarHBondContact O-CE2 3.27Å; T215-F217 PolarHBondContact O-N 2.88Å; T215-F217 WeakPolarHBondContact OG1-CE2 3.09Å; T215-F217 WeakPolarHBondContact OG1-CZ 3.48Å; T215-R403 PolarHBondContact O-NH1 2.99Å
216Q60.1Low58.6Low103 Ų103106.1 Ų106.148%0.48156%0.555SS.*  trans-8766.5-163.334.4-168.1-46.500109.7T214 G218 R219T214-Q216 PolarHBondContact O-N 3.07Å; Q216-G218 PolarHBondContact O-N 3.16Å; Q216-R219 HydrophobicContact CB-CG 3.77Å; Q216-R219 HydrophobicContact CG-CG 3.78Å; Q216-R219 WeakPolarHBondContact O-CB 3.23Å; Q216-R219 PolarHBondContact O-N 2.94Å; Q216-R219 VanDerWaalsContact OE1-CZ 3.29Å
217F58.7Low56.8Low83 Ų83112.1 Ų112.136%0.36457%0.573SS.*THydrogen-bonded Turntrans-48.6125.8171.1-53.4-74.9000109T215 A391 M396 A399T215-F217 WeakPolarHBondContact O-CD2 3.37Å; T215-F217 WeakPolarHBondContact O-CE2 3.27Å; T215-F217 PolarHBondContact O-N 2.88Å; T215-F217 WeakPolarHBondContact OG1-CE2 3.09Å; T215-F217 WeakPolarHBondContact OG1-CZ 3.48Å; F217-A391 HydrophobicContact CD1-CB 3.79Å; F217-A391 HydrophobicContact CE1-CB 3.73Å; F217-M396 HydrophobicContact CB-CE 4.31Å; F217-M396 HydrophobicContact CB-CG 4.16Å; F217-M396 HydrophobicContact CG-CG 4.38Å; F217-A399 HydrophobicContact CD2-CB 3.86Å; F217-A399 HydrophobicContact CE2-CB 3.65Å
218G54.7Low54.8Low70 Ų70110.9 Ų110.972%0.72259%0.59SS**THydrogen-bonded Turntrans88.6-3.6-175.800000115.9Q216 M220Q216-G218 PolarHBondContact O-N 3.16Å; G218-M220 PolarHBondContact O-N 3.26Å
219R48.6Very low53.2Low187 Ų187118.3 Ų118.371%0.70661%0.614SS**  trans-61.796.3147.6-74.3-74.6-164.9-122.8-18.8106.4Q216 R221Q216-R219 HydrophobicContact CB-CG 3.77Å; Q216-R219 HydrophobicContact CG-CG 3.78Å; Q216-R219 WeakPolarHBondContact O-CB 3.23Å; Q216-R219 PolarHBondContact O-N 2.94Å; Q216-R219 VanDerWaalsContact OE1-CZ 3.29Å; R219-R221 VanDerWaalsContact C-N 3.32Å; R219-R221 PolarHBondContact O-N 2.96Å
220M38.2Very low51.4Low135 Ų135121.5 Ų121.567%0.66565%0.647SS**  trans-59.599.6175.8174.5160.752.900107.7G218 G222G218-M220 PolarHBondContact O-N 3.26Å; M220-G222 VanDerWaalsContact C-N 3.34Å; M220-G222 VanDerWaalsContact O-CA 3.29Å; M220-G222 WeakPolarHBondContact O-CA 3.45Å; M220-G222 PolarHBondContact O-N 3.21Å
221R47.7Very low49.7Very low246 Ų246131.2 Ų131.293%0.92868%0.68SS**  trans-56.7100.2177.4-167.2-179.4-156.3-124.56.7106.5R219 R223R219-R221 VanDerWaalsContact C-N 3.32Å; R219-R221 PolarHBondContact O-N 2.96Å; R221-R223 PolarHBondContact O-N 2.97Å
222G41.3Very low48.1Very low59 Ų59131.3 Ų131.361%0.60870%0.699SS**  trans-48.9128.4-149.600000112M220 G224M220-G222 VanDerWaalsContact C-N 3.34Å; M220-G222 VanDerWaalsContact O-CA 3.29Å; M220-G222 WeakPolarHBondContact O-CA 3.45Å; M220-G222 PolarHBondContact O-N 3.21Å; G222-G224 WeakPolarHBondContact O-CA 3.36Å; G222-G224 PolarHBondContact O-N 3.32Å
223R42.8Very low46.3Very low224 Ų224134.8 Ų134.885%0.84571%0.713SS**  trans-50111.5177.1-81.7-172.2176.6-97.55.6107.6R221 R225R221-R223 PolarHBondContact O-N 2.97Å; R223-R225 PolarHBondContact O-N 3.17Å
224G41.4Very low45.1Very low74 Ų74132 Ų13276%0.76372%0.722SS**  trans-65.1100.5-155.200000113.1G222 G226G222-G224 WeakPolarHBondContact O-CA 3.36Å; G222-G224 PolarHBondContact O-N 3.32Å; G224-G226 PolarHBondContact O-N 2.85Å; G224-G226 VanDerWaalsContact O-N 3.13Å
225R43.9Very low43.7Very low237 Ų237140.2 Ų140.289%0.89474%0.744SS**SBendtrans-62109.3155.4-72.7-169.8178.4-137.13.4107R223R223-R225 PolarHBondContact O-N 3.17Å
226G39Very low42.2Very low69 Ų69139.4 Ų139.471%0.71175%0.752SS**  trans61.9110.817000000116.3G224 G228G224-G226 PolarHBondContact O-N 2.85Å; G224-G226 VanDerWaalsContact O-N 3.13Å; G226-G228 PolarHBondContact O-N 3.19Å; G226-G228 VanDerWaalsContact O-N 3.14Å
227R39.9Very low41.1Very low226 Ų226142.6 Ų142.685%0.85377%0.773SS**  trans-68.5110.5158.1-85.5-174.1171.8-168.9-0.5109.1R229R227-R229 PolarHBondContact O-N 3.36Å
228G37.3Very low40Very low84 Ų84150.3 Ų150.387%0.86680%0.799SS**  trans-63.680.7157.400000110.9G226G226-G228 PolarHBondContact O-N 3.19Å; G226-G228 VanDerWaalsContact O-N 3.14Å
229R42.3Very low39.1Very low225 Ų225150 Ų15085%0.84980%0.796SS**  trans-142.677.3170.6-88.5-162.5172.7-114.7-1.5110.7R227R227-R229 PolarHBondContact O-N 3.36Å
230G33.9Very low38.5Very low71 Ų71147.3 Ų147.373%0.73280%0.803SS**SBendtrans-178.2135.3169.400000110.9
231R37Very low38.4Very low213 Ų213147.9 Ų147.980%0.80481%0.808SS**  trans56.867.1169-59.5-175.2-172.9-832.6116.3H233R231-H233 PolarHBondContact O-N 2.79Å
232G35.9Very low37.8Very low89 Ų89141.7 Ų141.792%0.91880%0.799SS**  trans-69.479.7143.800000109.7
233H35.3Very low37.5Very low134 Ų134145.4 Ų145.462%0.6281%0.805SS**  trans-96.1125.4160.9-84.1-81.7000107.7R231 W235R231-H233 PolarHBondContact O-N 2.79Å; H233-W235 PolarHBondContact O-N 3.36Å
234G42.3Very low37.1Very low81 Ų81142.6 Ų142.684%0.83581%0.806SS**  trans-67.5115.4-17700000112.2
235W34Very low36.7Very low251 Ų251142.7 Ų142.795%0.95181%0.808SS**  trans-120.8116.8152.7-65.169.7000104.8H233H233-W235 PolarHBondContact O-N 3.36Å
236G32.7Very low36.2Very low66 Ų66138.6 Ų138.668%0.6881%0.809SS**  cis129.9-3.216.400000112.4R238G236-R238 PolarHBondContact O-N 3.14Å
237N35.6Very low36Very low170 Ų170140.1 Ų140.191%0.90982%0.815SS**  trans-70.9113.1173.4-79.9-18.4000110.5G239N237-G239 PolarHBondContact O-N 2.91Å
238R37Very low35.8Very low245 Ų245133.9 Ų133.993%0.92581%0.812SS**  trans-78.6104.5171.6-61.1178.9-176.7-178.70.2109.1G236G236-R238 PolarHBondContact O-N 3.14Å
239G34.3Very low36Very low63 Ų63139 Ų13965%0.64981%0.813SS**PPolyproline II helixtrans-82.4142.9153.300000109.2N237N237-G239 PolarHBondContact O-N 2.91Å
240P36.8Very low35.4Very low131 Ų131134.5 Ų134.585%0.85181%0.811SS**PPolyproline II helixtrans-59.4139.6172.4-23.434.7000111.5
241L35.3Very low35.7Very low148 Ų148136.8 Ų136.878%0.77581%0.813SS**PPolyproline II helixtrans-83.2126177.5-162.380.3000109.3L243L241-L243 PolarHBondContact O-N 3.2Å
242P35.4Very low36Very low115 Ų115135.9 Ų135.975%0.74782%0.815SS**PPolyproline II helixtrans-70.1125.9162.929.6-31.1000108.6
243L35.7Very low35.9Very low138 Ų138137.1 Ų137.172%0.72381%0.806SS**PPolyproline II helixtrans-76.4159.4167.8-93.174.7000110.4L241L241-L243 PolarHBondContact O-N 3.2Å
244N33.4Very low35.9Very low164 Ų164138.9 Ų138.988%0.87782%0.819SS**  trans91.3123.1174.3-50.6-22000115.1
245G32.7Very low35.4Very low77 Ų77142.4 Ų142.479%0.79482%0.819SS**  trans15393.7-17600000110.7
246T33.5Very low35.3Very low151 Ų151138.6 Ų138.693%0.92681%0.812SS**  trans-59.1145.4-175.6-13.30000112.5
247A35.5Very low35.2Very low100 Ų100143.4 Ų143.483%0.82682%0.821SS**  trans-73.5138.8176.900000112.1
248A35.9Very low35.2Very low96 Ų96139.3 Ų139.379%0.79381%0.806SS**  trans-130.6118.5163.600000108.2
249E40.5Very low35.1Very low191 Ų191134.4 Ų134.489%0.89380%0.803SS**  trans-80.4149.6178.2-61.1-168.7131.700111.2
250T30.8Very low34.9Very low131 Ų131135.1 Ų135.180%0.80481%0.81SS**  trans-134.3114.9171.6-42.50000109.2
251P40.7Very low35.3Very low119 Ų119132.3 Ų132.377%0.77381%0.806SS**PPolyproline II helixtrans-73.6149.1-172.529-34.5000112.2
252K43.3Very low36.7Very low194 Ų194130.8 Ų130.884%0.84380%0.798SS**PPolyproline II helixtrans-84.6133.2168.9-72.1170.7-179.4162.70109.5
253P32.5Very low37.7Very low114 Ų114130.5 Ų130.574%0.7480%0.796SS**PPolyproline II helixtrans-67.5134.1172.927.6-33.4000111
254L35.3Very low38.4Very low171 Ų171130 Ų13090%0.89579%0.794SS**PPolyproline II helixtrans-75.2149.8166.4-71.2109.8000110.2
255N32.5Very low39.4Very low156 Ų156124.3 Ų124.383%0.83477%0.774SS**  trans-141.3106170.7-89.4-57.3000109.7
256H30.9Very low40.3Very low170 Ų170126.2 Ų126.279%0.78777%0.77SS**  trans-161108.2162.7-165.8-78000112.8
257L32.3Very low41Very low167 Ų167126 Ų12687%0.87476%0.762SS**  trans175.699.7154.9-95.9177.1000103.9
258S34.3Very low41.6Very low85 Ų85125.5 Ų125.559%0.59476%0.758SS**  92.2121.253.7-165.60000113.2
259T35.4Very low41.9Very low142 Ų142125.7 Ų125.787%0.87175%0.753SS**  trans75.9105.9161.1-420000118
260G29.4Very low41.8Very low77 Ų77122 Ų12279%0.79474%0.744SS**  trans173.1116.4166.600000110.2
261G45.4Very low42.2Very low73 Ų73123.1 Ų123.175%0.75375%0.745SS**  trans-83.9153.4179.200000112.4P263G261-P263 WeakPolarHBondContact O-CD 3.44Å
262D64.5Low42.2Very low115 Ų115125.5 Ų125.562%0.61575%0.746SS**  trans-63.3117.5174.6179.5-5.7000110.5L264 G265D262-L264 PolarHBondContact O-N 3.21Å; D262-L264 WeakPolarHBondContact OD1-CB 3.33Å; D262-L264 PolarHBondContact OD1-N 2.83Å; D262-G265 PolarHBondContact O-N 2.92Å
263P57.5Low41.6Very low109 Ų109122.5 Ų122.571%0.70874%0.739SS**THydrogen-bonded Turntrans-67.4-17.9-177.628.6-35.7000113.6G261G261-P263 WeakPolarHBondContact O-CD 3.44Å
264L51Low41.5Very low128 Ų128121 Ų12167%0.6773%0.732SS**THydrogen-bonded Turntrans-84.4-19.3-178.7-63.6172.1000113D262 V266 L267D262-L264 PolarHBondContact O-N 3.21Å; D262-L264 WeakPolarHBondContact OD1-CB 3.33Å; D262-L264 PolarHBondContact OD1-N 2.83Å; L264-V266 PolarHBondContact O-N 2.98Å; L264-V266 VanDerWaalsContact O-N 3.15Å; L264-L267 PolarHBondContact O-N 3.2Å
265G54.3Low41.3Very low45 Ų45119.8 Ų119.846%0.46473%0.726SS.*THydrogen-bonded Turntrans-64.4-19.2-176.300000115.1D262D262-G265 PolarHBondContact O-N 2.92Å
266V51.6Low41.5Very low116 Ų116121.6 Ų121.670%0.70373%0.726SS**THydrogen-bonded Turntrans-78.3-30-176.7-178.10000112.5L264 A268L264-V266 PolarHBondContact O-N 2.98Å; L264-V266 VanDerWaalsContact O-N 3.15Å; V266-A268 VanDerWaalsContact C-N 3.32Å; V266-A268 PolarHBondContact O-N 2.89Å
267L47.1Very low41.7Very low146 Ų146121 Ų12176%0.76472%0.724SS**G310 helixtrans-79.9-11-174.6-61.6178.3000113.9L264 S269L264-L267 PolarHBondContact O-N 3.2Å; L267-S269 VanDerWaalsContact C-N 3.32Å; L267-S269 PolarHBondContact O-N 3.42Å
268A49.6Very low42Very low90 Ų90120.9 Ų120.974%0.74472%0.719SS**G310 helixtrans-88.614.8-174.400000114.6V266V266-A268 VanDerWaalsContact C-N 3.32Å; V266-A268 PolarHBondContact O-N 2.89Å
269S41.2Very low41.8Very low100 Ų100120.9 Ų120.970%0.69972%0.719SS**G310 helixtrans-130.819.8-167.5-61.30000115.7L267L267-S269 VanDerWaalsContact C-N 3.32Å; L267-S269 PolarHBondContact O-N 3.42Å
270T39.3Very low41.7Very low114 Ų114119.2 Ų119.270%0.69971%0.713SS**  trans-142.9102.3172.6-33.40000110.5
271D38.8Very low41.8Very low154 Ų154124.2 Ų124.282%0.82472%0.718SS**  -176.9160106.3-103-36.8000112.9
272Q40.5Very low41.1Very low170 Ų170124.8 Ų124.879%0.79472%0.716SS**  trans-113.8176.2173.9-56.7171.7-126.500108.2
273D29.7Very low39.7Very low131 Ų131122.8 Ų122.870%0.70172%0.722SS**  cis-163.3-1777.8-140.1-41.8000111
274S31.8Very low38.7Very low82 Ų82125.1 Ų125.157%0.57373%0.728SS**  trans72.4112.1149.3-167.50000122.4
275D30.7Very low38.5Very low146 Ų146126.2 Ų126.278%0.78174%0.739SS**  trans52.5139.9131.1-44.9-51000121.8
276K35.4Very low38Very low193 Ų193129.2 Ų129.284%0.83975%0.749SS**  -177.5144.251.9-172171.1-179.7173.30115.3
277E35.9Very low37.6Very low157 Ų157127.7 Ų127.773%0.73475%0.748SS**  trans19127.2156.6-53-59172.600126.4
278E37.8Very low37.8Very low165 Ų165126.6 Ų126.677%0.77175%0.75SS**  52.4131.8124-123.6-151.2124.500126.9
279S30.7Very low37.9Very low85 Ų85131.7 Ų131.759%0.59476%0.755SS**  93.6130.2127.2-119.10000125.3
280S33.5Very low38.6Very low107 Ų107135 Ų13575%0.74876%0.76SS**  trans69122.1148.674.80000121.7
281M30.9Very low38.9Very low182 Ų182136 Ų13690%0.89776%0.758SS**  165158.597.6-164.853.7-170.500111.4
282A31.5Very low39.5Very low86 Ų86131.9 Ų131.971%0.71174%0.742SS**  trans-76.9136.5-168.300000116.3
283G35.6Very low40.4Very low73 Ų73129 Ų12975%0.75374%0.74SS**  55.1111.1122.500000120.8
284L36.9Very low41.7Very low158 Ų158125.7 Ų125.783%0.82773%0.731SS**  trans-140.8123148.2-148.478.8000109.9V286L284-V286 HydrophobicContact CD2-CG2 3.89Å; L284-V286 HydrophobicContact CG-CG2 4.33Å
285V45.2Very low43Very low150 Ų150126.1 Ų126.191%0.90973%0.726SS**  trans-92.9112.2173175.60000108.4
286V44.3Very low44.5Very low109 Ų109121 Ų12166%0.66171%0.708SS**  trans-120.5115.2172.7-178.40000108L284 P288L284-V286 HydrophobicContact CD2-CG2 3.89Å; L284-V286 HydrophobicContact CG-CG2 4.33Å; V286-P288 WeakPolarHBondContact O-CD 3.11Å
287A44.3Very low45.8Very low84 Ų84115.4 Ų115.469%0.69469%0.693SS**  trans-72.8124.6176.200000110.1K289A287-K289 PolarHBondContact O-N 3.27Å
288P50.1Low46.9Very low123 Ų123113.1 Ų113.180%0.79969%0.686SS**  trans-65.3106.9177-22.634.9000111.4V286V286-P288 WeakPolarHBondContact O-CD 3.11Å
289K52.6Low48.3Very low196 Ų196111.2 Ų111.285%0.85268%0.68SS**SBendtrans-79.9140.3165.9-132.8170.2-175.3175.80107.8A287A287-K289 PolarHBondContact O-N 3.27Å
290Q55.2Low49.7Very low171 Ų171110 Ų11080%0.79968%0.675SS**  trans72.387.2-164.1-43.7-53.6-18.900113.8
291M44.8Very low50.8Low133 Ų133111.4 Ų111.466%0.65567%0.674SS**  trans-68.4131.7153.6-70.1174.264.300108.1L295M291-L295 HydrophobicContact CE-CB 4.48Å
292S51.4Low52.2Low69 Ų69113.1 Ų113.148%0.48367%0.672SS.*  trans-66140.9171.552.60000110.2A294 L295S292-A294 PolarHBondContact O-N 2.87Å; S292-A294 VanDerWaalsContact O-N 3.08Å; S292-L295 PolarHBondContact O-N 2.87Å
293S60.1Low53.1Low109 Ų109112 Ų11276%0.76267%0.67SS**Hα-helixtrans-54.8-31.3-177470000113.4L295 G296 S297S293-L295 VanDerWaalsContact C-N 3.3Å; S293-L295 PolarHBondContact O-N 3.06Å; S293-G296 PolarHBondContact O-N 2.94Å; S293-G296 VanDerWaalsContact O-N 3.11Å; S293-S297 PolarHBondContact O-N 3Å
294A57.1Low53.3Low62 Ų62113.9 Ų113.951%0.51267%0.671SS.*Hα-helixtrans-57.7-35.2174.700000114.1S292 L298S292-A294 PolarHBondContact O-N 2.87Å; S292-A294 VanDerWaalsContact O-N 3.08Å; A294-L298 PolarHBondContact O-N 3.03Å
295L59.3Low53.7Low90 Ų90114.6 Ų114.647%0.47167%0.672SS.*Hα-helixtrans-74.1-27.7177.3-73.5170.8000112.4M291 S292 S293 L298 L299M291-L295 HydrophobicContact CE-CB 4.48Å; S292-L295 PolarHBondContact O-N 2.87Å; S293-L295 VanDerWaalsContact C-N 3.3Å; S293-L295 PolarHBondContact O-N 3.06Å; L295-L298 HydrophobicContact CD2-CD1 4.47Å; L295-L298 PolarHBondContact O-N 3.05Å; L295-L299 PolarHBondContact O-N 3.48Å
296G63.1Low53.4Low38 Ų38112.8 Ų112.839%0.39267%0.666SS.*Hα-helixtrans-63.9-47.1172.400000111.9S293 L298 L299 A300S293-G296 PolarHBondContact O-N 2.94Å; S293-G296 VanDerWaalsContact O-N 3.11Å; G296-L298 VanDerWaalsContact C-N 3.28Å; G296-L298 PolarHBondContact O-N 3.32Å; G296-L299 PolarHBondContact O-N 2.92Å; G296-A300 PolarHBondContact O-N 3.25Å
297S61Low53.2Low76 Ų76116.6 Ų116.653%0.53168%0.677SS.*Hα-helixtrans-62.6-32.8177.6-54.50000113.3S293 A300 N301S293-S297 PolarHBondContact O-N 3Å; S297-A300 PolarHBondContact O-N 2.82Å; S297-N301 PolarHBondContact O-N 2.89Å
298L60.1Low52.8Low110 Ų110117.6 Ų117.658%0.57668%0.679SS**Hα-helixtrans-71.9-33.2176.3-70.4174.4000112.9A294 L295 G296A294-L298 PolarHBondContact O-N 3.03Å; L295-L298 HydrophobicContact CD2-CD1 4.47Å; L295-L298 PolarHBondContact O-N 3.05Å; G296-L298 VanDerWaalsContact C-N 3.28Å; G296-L298 PolarHBondContact O-N 3.32Å
299L67Low52.5Low125 Ų125119.6 Ų119.665%0.65468%0.683SS**Hα-helixtrans-70.9-37.8171.7-99.167.5000112L295 G296 N301 Y302L295-L299 PolarHBondContact O-N 3.48Å; G296-L299 PolarHBondContact O-N 2.92Å; L299-N301 VanDerWaalsContact C-N 3.31Å; L299-N301 PolarHBondContact O-N 3.47Å; L299-Y302 PolarHBondContact O-N 3.36Å
300A59.2Low52.4Low60 Ų60119.4 Ų119.450%0.49669%0.685SS.*Hα-helixtrans-59.1-40.6179.100000112.6G296 S297 Y302 G303G296-A300 PolarHBondContact O-N 3.25Å; S297-A300 PolarHBondContact O-N 2.82Å; A300-Y302 PolarHBondContact O-N 3.34Å; A300-Y302 VanDerWaalsContact O-N 3.16Å; A300-G303 PolarHBondContact O-N 3.34Å
301N57.6Low51.7Low136 Ų136118.6 Ų118.673%0.72768%0.681SS**THydrogen-bonded Turntrans-68.4-10.5-179.2-76.810000114.9S297 L299S297-N301 PolarHBondContact O-N 2.89Å; L299-N301 VanDerWaalsContact C-N 3.31Å; L299-N301 PolarHBondContact O-N 3.47Å
302Y60.2Low51.8Low217 Ų217116.3 Ų116.385%0.85168%0.676SS**THydrogen-bonded Turntrans-98.7-1.3171.5-82.6-89.5000113.4L299 A300L299-Y302 PolarHBondContact O-N 3.36Å; A300-Y302 PolarHBondContact O-N 3.34Å; A300-Y302 VanDerWaalsContact O-N 3.16Å
303G49.2Very low52Low64 Ų64120.2 Ų120.266%0.6669%0.687SS**SBendtrans-99.1-0.3-171.200000117A300A300-G303 PolarHBondContact O-N 3.34Å
304S41.6Very low51.8Low111 Ų111119.2 Ų119.278%0.77667%0.673SS**  trans-13629.6-170.2-61.10000115.3S306S304-S306 PolarHBondContact O-N 3.28Å
305M43.8Very low51.7Low174 Ų174118.3 Ų118.386%0.85766%0.661SS**  trans-84.185.6158.7-69.5-119.468.100108.5E307M305-E307 PolarHBondContact O-N 3.33Å
306S38.9Very low52Low111 Ų111118 Ų11878%0.77667%0.665SS**  trans-74107.2170.5-169.20000108.6S304 S308S304-S306 PolarHBondContact O-N 3.28Å; S306-S308 VanDerWaalsContact C-N 3.28Å; S306-S308 PolarHBondContact O-N 3.24Å
307E41.7Very low51.8Low189 Ų189119 Ų11988%0.88366%0.663SS**  trans-75.967.6-169.757.2-168.6144.700113.8M305 D309M305-E307 PolarHBondContact O-N 3.33Å; E307-D309 PolarHBondContact O-N 3.1Å
308S34.8Very low52Low106 Ų106120 Ų12074%0.74166%0.662SS**  trans-7592.6157.4-68.90000109.1S306 E310S306-S308 VanDerWaalsContact C-N 3.28Å; S306-S308 PolarHBondContact O-N 3.24Å; S308-E310 PolarHBondContact O-N 3.49Å
309D43.1Very low52.4Low164 Ų164122.4 Ų122.488%0.87766%0.663SS**  trans-72.464.1-176.7-171.231.7000113E307E307-D309 PolarHBondContact O-N 3.1Å
310E50.7Low52.6Low192 Ų192117.8 Ų117.890%0.89764%0.643SS**  trans-146.255.1172.8-163.1152.4-143.300111.9S308S308-E310 PolarHBondContact O-N 3.49Å
311E40.2Very low53.3Low155 Ų155120 Ų12072%0.72464%0.641SS**  trans-114.3134.8170.3-164.7178.8-172.600110.5V315E311-V315 HydrophobicContact CG-CG2 4.18Å
312P47.7Very low54.2Low85 Ų85118.3 Ų118.355%0.55263%0.629SS**  trans-71.8152.6-167.826-35.6000115.6D314 V315P312-D314 PolarHBondContact O-N 3.26Å; P312-V315 PolarHBondContact O-N 3.42Å
313E55.6Low54.9Low151 Ų151111.3 Ų111.371%0.70661%0.609SS**THydrogen-bonded Turntrans-59.72.7176.6-66.9-164.5146.900115.2P316E313-P316 WeakPolarHBondContact O-CD 3.41Å
314D55Low56.1Low87 Ų87111.1 Ų111.147%0.46560%0.595SS.*THydrogen-bonded Turntrans-75.8-21.1175.3-80-62.4000113.5P312 V317 L318P312-D314 PolarHBondContact O-N 3.26Å; D314-V317 CarbonylContact O-C 3.58Å; D314-V317 WeakPolarHBondContact O-CA 3.12Å; D314-V317 WeakPolarHBondContact O-CB 3.15Å; D314-V317 PolarHBondContact O-N 2.85Å; D314-L318 HydrophobicContact CB-CD1 4.22Å; D314-L318 HydrophobicContact CB-CG 4.39Å; D314-L318 WeakPolarHBondContact O-CB 3.37Å; D314-L318 WeakPolarHBondContact O-CG 3.28Å; D314-L318 PolarHBondContact O-N 2.99Å
315V56.9Low57.6Low43 Ų43112.7 Ų112.726%0.26158%0.584SS.*Hα-helixtrans-55.3-45.1-176.9-179.90000113.5E311 P312 V317 R319E311-V315 HydrophobicContact CG-CG2 4.18Å; P312-V315 PolarHBondContact O-N 3.42Å; V315-V317 VanDerWaalsContact C-N 3.32Å; V315-V317 PolarHBondContact O-N 3.27Å; V315-R319 WeakPolarHBondContact O-CB 3.44Å; V315-R319 PolarHBondContact O-N 3.26Å
316P64Low58.9Low85 Ų85108.6 Ų108.655%0.55256%0.562SS**Hα-helixtrans-64.6-33.9172.9-20.834000113.4E313 A320E313-P316 WeakPolarHBondContact O-CD 3.41Å; P316-A320 WeakPolarHBondContact O-CB 3.43Å; P316-A320 PolarHBondContact O-N 2.9Å
317V58.8Low60.4Low59 Ų59107.6 Ų107.636%0.35855%0.548SS..Hα-helixtrans-74.8-39.7-178.3-178.70000111D314 V315 A320 K321D314-V317 CarbonylContact O-C 3.58Å; D314-V317 WeakPolarHBondContact O-CA 3.12Å; D314-V317 WeakPolarHBondContact O-CB 3.15Å; D314-V317 PolarHBondContact O-N 2.85Å; V315-V317 VanDerWaalsContact C-N 3.32Å; V315-V317 PolarHBondContact O-N 3.27Å; V317-A320 PolarHBondContact O-N 3.44Å; V317-K321 HydrophobicContact CG1-CD 4.16Å; V317-K321 WeakPolarHBondContact O-CB 3.07Å; V317-K321 VanDerWaalsContact O-CG 3.24Å; V317-K321 WeakPolarHBondContact O-CG 3.36Å; V317-K321 PolarHBondContact O-N 2.8Å
318L65.2Low62Low97 Ų97103.4 Ų103.451%0.50853%0.529SS..Hα-helixtrans-65.2-44.3173.4-69.3171.2000110.8D314 A320 K321 Q322D314-L318 HydrophobicContact CB-CD1 4.22Å; D314-L318 HydrophobicContact CB-CG 4.39Å; D314-L318 WeakPolarHBondContact O-CB 3.37Å; D314-L318 WeakPolarHBondContact O-CG 3.28Å; D314-L318 PolarHBondContact O-N 2.99Å; L318-A320 PolarHBondContact O-N 3.29Å; L318-K321 PolarHBondContact O-N 3.25Å; L318-Q322 WeakPolarHBondContact O-CB 3.33Å; L318-Q322 PolarHBondContact O-N 3.07Å
319R69.1Low63.5Low159 Ų159101.6 Ų101.660%0.651%0.513SS*.Hα-helixtrans-61.4-41.7174.5-167.5176-66.51331.7112V315 Q322 V323V315-R319 WeakPolarHBondContact O-CB 3.44Å; V315-R319 PolarHBondContact O-N 3.26Å; R319-Q322 PolarHBondContact O-N 3.26Å; R319-V323 WeakPolarHBondContact O-CG2 3.42Å; R319-V323 PolarHBondContact O-N 2.95Å
320A70.6Confident64.7Low28 Ų2898.3 Ų98.323%0.23150%0.495CS..Hα-helixtrans-64.2-45.7173.800000112.5I208 P316 V317 L318 Q322 V323 V324I208-A320 HydrophobicContact CD1-CB 4.3Å; P316-A320 WeakPolarHBondContact O-CB 3.43Å; P316-A320 PolarHBondContact O-N 2.9Å; V317-A320 PolarHBondContact O-N 3.44Å; L318-A320 PolarHBondContact O-N 3.29Å; A320-Q322 VanDerWaalsContact C-N 3.31Å; A320-Q322 PolarHBondContact O-N 3.35Å; A320-V323 PolarHBondContact O-N 2.84Å; A320-V324 WeakPolarHBondContact O-CG2 3.49Å; A320-V324 PolarHBondContact O-N 2.88Å
321K74.8Confident65.2Low106 Ų10692.7 Ų92.746%0.46147%0.471SS..Hα-helixtrans-60-38.5175.1-75165.9178.5170.60112.2V317 L318 R325V317-K321 HydrophobicContact CG1-CD 4.16Å; V317-K321 WeakPolarHBondContact O-CB 3.07Å; V317-K321 VanDerWaalsContact O-CG 3.24Å; V317-K321 WeakPolarHBondContact O-CG 3.36Å; V317-K321 PolarHBondContact O-N 2.8Å; L318-K321 PolarHBondContact O-N 3.25Å; K321-R325 WeakPolarHBondContact O-CG 3.43Å; K321-R325 PolarHBondContact O-N 3.37Å; K321-R325 VanDerWaalsContact O-N 3.14Å
322Q77.3Confident66.4Low101 Ų10191.4 Ų91.447%0.47247%0.469SS..Hα-helixtrans-63.8-51.1175.3175171.3-10.800111.4L318 R319 A320 V324 R325 E326L318-Q322 WeakPolarHBondContact O-CB 3.33Å; L318-Q322 PolarHBondContact O-N 3.07Å; R319-Q322 PolarHBondContact O-N 3.26Å; A320-Q322 VanDerWaalsContact C-N 3.31Å; A320-Q322 PolarHBondContact O-N 3.35Å; Q322-V324 VanDerWaalsContact C-N 3.26Å; Q322-V324 PolarHBondContact O-N 3.15Å; Q322-R325 PolarHBondContact O-N 3.42Å; Q322-R325 VanDerWaalsContact O-N 3.12Å; Q322-E326 HydrophobicContact CG-CG 4.33Å; Q322-E326 WeakPolarHBondContact CG-OE1 3.47Å; Q322-E326 PolarHBondContact NE2-OE1 3.05Å; Q322-E326 WeakPolarHBondContact O-CG 3.15Å; Q322-E326 PolarHBondContact O-N 3.39Å
323V74.5Confident67Low70 Ų7094.9 Ų94.942%0.42448%0.476SS..Hα-helixtrans-60.1-35.1178.1171.10000111.8R319 A320 N327R319-V323 WeakPolarHBondContact O-CG2 3.42Å; R319-V323 PolarHBondContact O-N 2.95Å; A320-V323 PolarHBondContact O-N 2.84Å; V323-N327 PolarHBondContact O-N 2.78Å; V323-N327 PolarHBondContact O-ND2 3.32Å
324V74.6Confident66.6Low61 Ų6196.8 Ų96.837%0.3748%0.476SS..Hα-helixtrans-62.8-50.2173.2170.60000111.3A320 Q322 E326 N327 E328A320-V324 WeakPolarHBondContact O-CG2 3.49Å; A320-V324 PolarHBondContact O-N 2.88Å; Q322-V324 VanDerWaalsContact C-N 3.26Å; Q322-V324 PolarHBondContact O-N 3.15Å; V324-E326 PolarHBondContact O-N 3.15Å; V324-N327 WeakPolarHBondContact O-CB 3.37Å; V324-N327 PolarHBondContact O-N 2.81Å; V324-E328 WeakPolarHBondContact CG1-OE1 3.45Å; V324-E328 WeakPolarHBondContact O-CG 3.38Å; V324-E328 PolarHBondContact O-N 2.99Å
325R73.4Confident65.7Low144 Ų14498.3 Ų98.354%0.54349%0.489SS..Hα-helixtrans-61.7-40.4176.8-66.4-170.4-139.7107.3-6.9113K321 Q322 N327 E328 T329K321-R325 WeakPolarHBondContact O-CG 3.43Å; K321-R325 PolarHBondContact O-N 3.37Å; K321-R325 VanDerWaalsContact O-N 3.14Å; Q322-R325 PolarHBondContact O-N 3.42Å; Q322-R325 VanDerWaalsContact O-N 3.12Å; R325-N327 VanDerWaalsContact C-N 3.32Å; R325-N327 PolarHBondContact O-N 3.37Å; R325-E328 WeakPolarHBondContact CA-OE2 3.45Å; R325-E328 PolarHBondContact O-N 3.39Å; R325-T329 WeakPolarHBondContact O-CG2 3.31Å; R325-T329 PolarHBondContact O-N 3Å
326E69.6Low65.1Low87 Ų87102.1 Ų102.141%0.40752%0.515SS..Hα-helixtrans-59.3-46.1176.9-75169.5-17900110.5Q322 V324 T329 L330Q322-E326 HydrophobicContact CG-CG 4.33Å; Q322-E326 WeakPolarHBondContact CG-OE1 3.47Å; Q322-E326 PolarHBondContact NE2-OE1 3.05Å; Q322-E326 WeakPolarHBondContact O-CG 3.15Å; Q322-E326 PolarHBondContact O-N 3.39Å; V324-E326 PolarHBondContact O-N 3.15Å; E326-T329 PolarHBondContact O-N 3.03Å; E326-T329 PolarHBondContact O-OG1 3.04Å; E326-L330 WeakPolarHBondContact O-CG 3.42Å; E326-L330 PolarHBondContact O-N 3.24Å; E326-L330 VanDerWaalsContact O-N 3.16Å
327N70.7Confident63.4Low91 Ų91105 Ų10549%0.48753%0.531SS..Hα-helixtrans-59.3-48.9172.6-78-68.4000112.2V323 V324 R325 T329 L330 L331V323-N327 PolarHBondContact O-N 2.78Å; V323-N327 PolarHBondContact O-ND2 3.32Å; V324-N327 WeakPolarHBondContact O-CB 3.37Å; V324-N327 PolarHBondContact O-N 2.81Å; R325-N327 VanDerWaalsContact C-N 3.32Å; R325-N327 PolarHBondContact O-N 3.37Å; N327-T329 VanDerWaalsContact C-N 3.31Å; N327-T329 PolarHBondContact O-N 2.88Å; N327-L330 WeakPolarHBondContact O-CA 3.41Å; N327-L330 WeakPolarHBondContact O-CB 3.23Å; N327-L330 PolarHBondContact O-N 3.4Å; N327-L331 WeakPolarHBondContact O-CG 3.38Å; N327-L331 PolarHBondContact O-N 3.31Å; N327-L331 VanDerWaalsContact O-N 3.1Å
328E74.7Confident62.3Low100 Ų100107.2 Ų107.247%0.46755%0.549SS..Hα-helixtrans-54.4-44.7176.9-70.2165.1170.400112.1V324 R325 L330 L331 N332V324-E328 WeakPolarHBondContact CG1-OE1 3.45Å; V324-E328 WeakPolarHBondContact O-CG 3.38Å; V324-E328 PolarHBondContact O-N 2.99Å; R325-E328 WeakPolarHBondContact CA-OE2 3.45Å; R325-E328 PolarHBondContact O-N 3.39Å; E328-L330 PolarHBondContact O-N 3.25Å; E328-L331 PolarHBondContact O-N 3.14Å; E328-L331 VanDerWaalsContact O-N 3.14Å; E328-N332 PolarHBondContact O-N 3.47Å; E328-N332 VanDerWaalsContact O-N 3.13Å
329T67.1Low60.9Low68 Ų68111.7 Ų111.742%0.41757%0.567SS.*Hα-helixtrans-69-19176.968.20000114.2R325 E326 N327 K333R325-T329 WeakPolarHBondContact O-CG2 3.31Å; R325-T329 PolarHBondContact O-N 3Å; E326-T329 PolarHBondContact O-N 3.03Å; E326-T329 PolarHBondContact O-OG1 3.04Å; N327-T329 VanDerWaalsContact C-N 3.31Å; N327-T329 PolarHBondContact O-N 2.88Å; T329-K333 WeakPolarHBondContact O-CD 3.29Å; T329-K333 WeakPolarHBondContact O-CE 3.37Å; T329-K333 VanDerWaalsContact O-CG 3.23Å; T329-K333 WeakPolarHBondContact O-CG 3.41Å
330L67.9Low59.1Low96 Ų96110.9 Ų110.950%0.50358%0.575SS.*Hα-helixtrans-83.6-23.6172.8-69169.4000112.4E326 N327 E328 R334E326-L330 WeakPolarHBondContact O-CG 3.42Å; E326-L330 PolarHBondContact O-N 3.24Å; E326-L330 VanDerWaalsContact O-N 3.16Å; N327-L330 WeakPolarHBondContact O-CA 3.41Å; N327-L330 WeakPolarHBondContact O-CB 3.23Å; N327-L330 PolarHBondContact O-N 3.4Å; E328-L330 PolarHBondContact O-N 3.25Å; L330-R334 WeakPolarHBondContact O-CG 3.25Å
331L62.6Low57.3Low73 Ų73113.4 Ų113.438%0.38259%0.59SS.*Hα-helixtrans-74.9-48.8172.3-55.5-170.1000110.9N327 E328 K333 R334 Y415N327-L331 WeakPolarHBondContact O-CG 3.38Å; N327-L331 PolarHBondContact O-N 3.31Å; N327-L331 VanDerWaalsContact O-N 3.1Å; E328-L331 PolarHBondContact O-N 3.14Å; E328-L331 VanDerWaalsContact O-N 3.14Å; L331-K333 PolarHBondContact O-N 3.01Å; L331-R334 PolarHBondContact O-N 2.82Å; L331-Y415 HydrophobicContact CD1-CE2 4.28Å; L331-Y415 HydrophobicContact CD2-CD2 4.44Å; L331-Y415 HydrophobicContact CD2-CE2 3.39Å; L331-Y415 WeakPolarHBondContact CD2-OH 3.41Å; L331-Y415 HydrophobicContact CG-CE2 4.49Å
332N63.9Low55.2Low128 Ų128117.2 Ų117.268%0.68461%0.61SS**THydrogen-bonded Turntrans-66-9.7-177.5-64.6-6.5000113.9E328E328-N332 PolarHBondContact O-N 3.47Å; E328-N332 VanDerWaalsContact O-N 3.13Å
333K61.9Low53Low159 Ų159118.1 Ų118.169%0.69163%0.628SS**THydrogen-bonded Turntrans-93.54.7174.4-71.1171.1-171.6166.80113.8T329 L331T329-K333 WeakPolarHBondContact O-CD 3.29Å; T329-K333 WeakPolarHBondContact O-CE 3.37Å; T329-K333 VanDerWaalsContact O-CG 3.23Å; T329-K333 WeakPolarHBondContact O-CG 3.41Å; L331-K333 PolarHBondContact O-N 3.01Å
334R46.3Very low51Low191 Ų191124.7 Ų124.772%0.72165%0.65SS**  trans-119.220.7-170.2-72.1-176.4172.8-138.70.3115.4L330 L331 P336L330-R334 WeakPolarHBondContact O-CG 3.25Å; L331-R334 PolarHBondContact O-N 2.82Å; R334-P336 WeakPolarHBondContact O-CD 3.49Å
335T35.7Very low48.6Very low119 Ų119129 Ų12973%0.7367%0.667SS**  trans-100.394.8172.751.20000111.3
336P43.6Very low46.5Very low123 Ų123127.5 Ų127.580%0.79967%0.673SS**PPolyproline II helixtrans-78.7134.9167.832.3-33.5000111R334R334-P336 WeakPolarHBondContact O-CD 3.49Å
337T29.1Very low44.5Very low145 Ų145131.5 Ų131.589%0.8969%0.691SS**PPolyproline II helixtrans-73.4155.2169.6-41.40000110.6
338S35.9Very low42.5Very low106 Ų106136.5 Ų136.574%0.74171%0.709SS**PPolyproline II helixtrans-80.8140.2-178.1174.90000113.6
339E36.1Very low40.6Very low191 Ų191137.7 Ų137.789%0.89373%0.725SS**  trans163.4147.2152.8-94.6163.4-145.400108.8
340D31.7Very low38.7Very low142 Ų142139.4 Ų139.476%0.75974%0.74SS**  cis-161.8170.4-29-179.941.8000110
341S32.3Very low36.9Very low80 Ų80143.3 Ų143.356%0.55976%0.755SS**  trans75.8101.4151.1-86.80000124.2
342Q30.8Very low35.3Very low186 Ų186146.4 Ų146.487%0.86978%0.778SS**  49.1133.3124.3-56-170.825.500124.5
343S29.6Very low33.7Very low121 Ų121151.6 Ų151.685%0.84679%0.788SS**  -171176.4125.742.10000112.5
344K33.3Very low32.1Very low207 Ų207150.7 Ų150.790%0.980%0.796SS**  trans-138.9176.1-169.9-65.6178.7-179.61730112.8
345H25Very low31.4Very low153 Ų153148.1 Ų148.171%0.70880%0.801SS**  trans107.5112.1168-138-89.8000112.9
346V29Very low31.2Very low111 Ų111148 Ų14867%0.67380%0.803SS**  65.3123.664.8-172.80000109.7
347E26.5Very low30.6Very low171 Ų171150.7 Ų150.780%0.79980%0.804SS**  -141.8-172.755-37.7-145.2103.800117.7
348K30.3Very low31.5Very low197 Ų197148.5 Ų148.586%0.85779%0.793SS**  trans-132.4153168-75.9-176.8175.8-179.80110.3
349P33.7Very low31Very low125 Ų125149.2 Ų149.281%0.81279%0.793SS**  -137.5170.212214.97.5000112.1
350S27.6Very low30.8Very low103 Ų103145.8 Ų145.872%0.7279%0.79SS**  cis-162.8151.8-1345.10000109.9
351E30.7Very low30.6Very low178 Ų178142.6 Ų142.683%0.83279%0.79SS**  trans27.1134.6145.7-50.3-169.3141.100120.9
352T28.4Very low30.9Very low139 Ų139144.5 Ų144.585%0.85380%0.8SS**  -155.8168.16129.40000113.4
353R30.9Very low30.8Very low237 Ų237139 Ų13989%0.89479%0.793SS**  trans-114.6130.4-173.9-62.4161.767.7-176.54.4111.9
354T26.8Very low30.7Very low140 Ų140140.8 Ų140.886%0.85979%0.791SS**  trans-150.4130.9149.5-13.90000111.7
355V33.6Very low30.5Very low137 Ų137142.3 Ų142.383%0.8379%0.791SS**  trans-132.2130.2167.9173.90000107.1
356P30.3Very low30.8Very low117 Ų117141.2 Ų141.276%0.7679%0.79SS**  trans-138.5133.1139.931.8-16000113.7
357Q31.2Very low30.8Very low179 Ų179144.4 Ų144.484%0.83680%0.798SS**  trans-112.7169.6145.4-86-148.131.900107.2
358P47.2Very low31.2Very low99 Ų99147.1 Ų147.164%0.64380%0.8SS**  cis-132.3-166.46.231.9-9.9000114.3
359T27.2Very low31.4Very low121 Ų121148.3 Ų148.374%0.74280%0.8SS**  trans131.5152.5135.465.90000116.9
360S31.7Very low31.2Very low119 Ų119146.4 Ų146.483%0.83280%0.803SS**  trans79.3103.9149.9-54.10000121.4
361G27.4Very low31.7Very low74 Ų74153.2 Ų153.276%0.76381%0.813SS**  trans112.7132.5134.600000118.2
362P38.7Very low31.8Very low120 Ų120148.6 Ų148.678%0.77981%0.813SS**  trans-94.8125.6-17934.9-32.2000114.2M364P362-M364 PolarHBondContact O-N 3.3Å
363G27.6Very low32.1Very low70 Ų70145.5 Ų145.572%0.72281%0.809SS**  trans-81.496.9171.100000112.8W365G363-W365 PolarHBondContact O-N 3.45Å
364M26.8Very low32.5Very low160 Ų160146.2 Ų146.279%0.78881%0.811SS**  trans-72.3114.6176.1-67.9170.958.100112.1P362P362-M364 PolarHBondContact O-N 3.3Å
365W31Very low33.1Very low239 Ų239151.8 Ų151.891%0.90582%0.817SS**  trans-87.4146.8165.2-68.675.2000110G363G363-W365 PolarHBondContact O-N 3.45Å
366N30.5Very low33.2Very low129 Ų129148.8 Ų148.869%0.6981%0.814SS**  trans-100.299.2-157.3-82.9-94.1000114.6R368N366-R368 PolarHBondContact O-N 2.95Å
367E29.9Very low33.8Very low179 Ų179147 Ų14784%0.83682%0.817SS**  trans-65.691.4161.4-87.977.8-157.200112.5
368R33.7Very low34.2Very low227 Ų227150.3 Ų150.386%0.85782%0.822SS**  trans-101.260.6164.4-72.4-162.7176.2-124.50.7114.1N366N366-R368 PolarHBondContact O-N 2.95Å
369R34.5Very low33.8Very low222 Ų222148.8 Ų148.884%0.83882%0.823SS**  57.972.9127.6-162.8-172.9-65.6-172.6-1.4117.6
370G30.6Very low34.6Very low86 Ų86152.9 Ų152.989%0.88783%0.834SS**  trans-77.2112.5157.200000111.5
371R36.8Very low35.1Very low246 Ų246158 Ų15893%0.92884%0.835SS**  trans-98.396.8-169.6-160.3-173.1-156.5-1509.3112.7
372G33.6Very low35.5Very low80 Ų80159.1 Ų159.183%0.82583%0.831SS**  trans-144.191.5175.200000112.4
373G34.2Very low35.9Very low75 Ų75164.4 Ų164.477%0.77384%0.835SS**  trans-96.4152-170.600000115.2
374R39.8Very low36.8Very low251 Ų251167.1 Ų167.195%0.94783%0.833SS**  trans-147.8142.2151.5-102.9165.9-158.8-84.1-4.3110
375R38.6Very low37.8Very low257 Ų257164.7 Ų164.797%0.9783%0.827SS**  trans-67.5142.6177.6-67172.5170.3170-5.7110.3
376G35.3Very low38.8Very low75 Ų75159.2 Ų159.277%0.77382%0.823SS**  trans16449.6173.800000116.3R378G376-R378 PolarHBondContact O-N 3.38Å
377G44Very low40Very low79 Ų79161.9 Ų161.981%0.81483%0.831SS**  trans-68.9116.6176.500000112.2
378R38.1Very low41.4Very low249 Ų249159.1 Ų159.194%0.9483%0.831SS**  trans-164.899.7163.1-109166.3-158.2-139.71.7111.9G376G376-R378 PolarHBondContact O-N 3.38Å
379G38.8Very low43.1Very low66 Ų66159 Ų15968%0.6883%0.831SS**  trans71.692.7160.200000116.7R381G379-R381 PolarHBondContact O-N 2.83Å; G379-R381 VanDerWaalsContact O-N 3.07Å
380Q45.1Very low44.9Very low208 Ų208159.7 Ų159.797%0.97283%0.833SS**  trans-59.1107.8144-82.1159.1-51.800107.3
381R42.8Very low47.3Very low225 Ų225157 Ų15785%0.84980%0.803SS**  trans-93.4130165.2-61.4-172.5-170.4-159.40.9107.1G379 R383G379-R381 PolarHBondContact O-N 2.83Å; G379-R381 VanDerWaalsContact O-N 3.07Å; R381-R383 PolarHBondContact O-N 3.02Å
382C36Very low49.7Very low99 Ų99149.1 Ų149.167%0.66978%0.782SS**  trans-33.3128.9162.3163.30000110.2D384C382-D384 PolarHBondContact SG-OD2 2.96Å
383R45.6Very low52.1Low231 Ų231151.6 Ų151.687%0.87278%0.776SS**  trans-10311.2-175.7-126.2-175.9-173.9-1541.4112R381 T385R381-R383 PolarHBondContact O-N 3.02Å; R383-T385 PolarHBondContact O-N 3.46Å
384D46Very low54.6Low126 Ų126153.5 Ų153.567%0.67477%0.768SS**  trans-107.726.8-154.2-40.3-70.5000111C382C382-D384 PolarHBondContact SG-OD2 2.96Å
385T49.5Very low56.8Low109 Ų109145.1 Ų145.167%0.66974%0.739SS**SBendtrans-98.9110.4159.140.40000107.5R383 Q387R383-T385 PolarHBondContact O-N 3.46Å; T385-Q387 PolarHBondContact O-N 3.14Å
386P51.6Low58.9Low125 Ų125137.1 Ų137.181%0.81271%0.714SS**  trans-61.4116.1176.524.4-32.3000108.5S388P386-S388 PolarHBondContact O-N 3.41Å
387Q54.7Low61.3Low184 Ų184139.1 Ų139.186%0.8671%0.706SS**  trans-62.8112.4179.5-68.6-172.6-11.200108.5T385 R389T385-Q387 PolarHBondContact O-N 3.14Å; Q387-R389 PolarHBondContact O-N 3.26Å
388S60.2Low63.5Low121 Ų121138.9 Ų138.985%0.84669%0.686SS**  trans-47.1114.7177.4176.90000109.1P386P386-S388 PolarHBondContact O-N 3.41Å
389R69.8Low65.7Low224 Ų224127.3 Ų127.385%0.84564%0.644SS**PPolyproline II helixtrans-61.7149.6179.5-64-176-178.8-169.41.7107.7Q387 A391Q387-R389 PolarHBondContact O-N 3.26Å; R389-A391 PolarHBondContact O-N 3.02Å
390R72.5Confident67.8Low237 Ų237127.4 Ų127.489%0.89463%0.632SS**PPolyproline II helixtrans-63.2131.2169.8-67-177.4-176.1166.93.3107.5T392R390-T392 PolarHBondContact O-N 2.87Å
391A79.5Confident69.9Low30 Ų30121.4 Ų121.425%0.24861%0.607CS.*PPolyproline II helixtrans-52.6133.1179.100000110.3F217 R389 E395 M396F217-A391 HydrophobicContact CD1-CB 3.79Å; F217-A391 HydrophobicContact CE1-CB 3.73Å; R389-A391 PolarHBondContact O-N 3.02Å; A391-E395 VanDerWaalsContact CA-OE2 3.23Å; A391-E395 WeakPolarHBondContact CA-OE2 3.46Å; A391-E395 HydrophobicContact CB-CG 4.23Å; A391-M396 HydrophobicContact CB-CG 4.02Å
392T87.2Confident72Confident80 Ų80112.7 Ų112.749%0.49158%0.577SS.*PPolyproline II helixtrans-74164.3178.265.60000110.9R390 L394 E395 M396R390-T392 PolarHBondContact O-N 2.87Å; T392-L394 VanDerWaalsContact C-N 3.25Å; T392-L394 PolarHBondContact O-N 3.23Å; T392-E395 PolarHBondContact N-OE2 3.37Å; T392-E395 VanDerWaalsContact N-OE2 3.15Å; T392-E395 PolarHBondContact O-N 3.09Å; T392-E395 VanDerWaalsContact OG1-CB 3.25Å; T392-E395 WeakPolarHBondContact OG1-CB 3.22Å; T392-E395 PolarHBondContact OG1-N 3Å; T392-M396 WeakPolarHBondContact O-CG 3.5Å; T392-M396 PolarHBondContact O-N 2.79Å
393L85.3Confident74.3Confident133 Ų133110.1 Ų110.170%0.69655%0.553SS**Hα-helixtrans-58.6-40.9173.8179.761.2000111.3M396 L397L393-M396 PolarHBondContact O-N 2.89Å; L393-L397 HydrophobicContact CD1-CD1 4.34Å; L393-L397 HydrophobicContact CD1-CG 4.4Å; L393-L397 HydrophobicContact CG-CD1 4.11Å; L393-L397 VanDerWaalsContact O-CG 3.31Å; L393-L397 WeakPolarHBondContact O-CG 3.31Å; L393-L397 PolarHBondContact O-N 3.36Å
394L87.1Confident76.2Confident114 Ų114105.4 Ų105.460%0.59754%0.54SS*.Hα-helixtrans-63.2-44.8176.6-174.863.8000111.8T392 M396 L397 L398T392-L394 VanDerWaalsContact C-N 3.25Å; T392-L394 PolarHBondContact O-N 3.23Å; L394-M396 VanDerWaalsContact C-N 3.31Å; L394-M396 PolarHBondContact O-N 3.13Å; L394-L397 PolarHBondContact O-N 3.07Å; L394-L398 HydrophobicContact CD1-CD1 3.81Å; L394-L398 HydrophobicContact CD1-CG 4.15Å; L394-L398 HydrophobicContact CG-CD1 3.92Å; L394-L398 HydrophobicContact CG-CG 4.49Å; L394-L398 WeakPolarHBondContact O-CB 3.37Å; L394-L398 WeakPolarHBondContact O-CG 3.14Å; L394-L398 PolarHBondContact O-N 2.91Å
395E84.4Confident78.4Confident76 Ų76105 Ų10536%0.35553%0.534SS..Hα-helixtrans-64.4-33.3175.3-177.9-172.3161.600112.7A391 T392 A399A391-E395 VanDerWaalsContact CA-OE2 3.23Å; A391-E395 WeakPolarHBondContact CA-OE2 3.46Å; A391-E395 HydrophobicContact CB-CG 4.23Å; T392-E395 PolarHBondContact N-OE2 3.37Å; T392-E395 VanDerWaalsContact N-OE2 3.15Å; T392-E395 PolarHBondContact O-N 3.09Å; T392-E395 VanDerWaalsContact OG1-CB 3.25Å; T392-E395 WeakPolarHBondContact OG1-CB 3.22Å; T392-E395 PolarHBondContact OG1-N 3Å; E395-A399 WeakPolarHBondContact O-CA 3.28Å; E395-A399 WeakPolarHBondContact O-CB 3.33Å; E395-A399 PolarHBondContact O-N 3.39Å
396M82.8Confident80.3Confident89 Ų89106.7 Ų106.744%0.43853%0.529SS..Hα-helixtrans-72-35.3174-75.4-17756.100112.8F217 A391 T392 L393 L394 A399F217-M396 HydrophobicContact CB-CE 4.31Å; F217-M396 HydrophobicContact CB-CG 4.16Å; F217-M396 HydrophobicContact CG-CG 4.38Å; A391-M396 HydrophobicContact CB-CG 4.02Å; T392-M396 WeakPolarHBondContact O-CG 3.5Å; T392-M396 PolarHBondContact O-N 2.79Å; L393-M396 PolarHBondContact O-N 2.89Å; L394-M396 VanDerWaalsContact C-N 3.31Å; L394-M396 PolarHBondContact O-N 3.13Å; M396-A399 WeakPolarHBondContact O-CB 3.41Å
397L87.1Confident82.1Confident117 Ų117101.5 Ų101.561%0.61349%0.494SS*.Hα-helixtrans-72.8-49.1176.6-71.7169.2000111.4L393 L394 A399 P400L393-L397 HydrophobicContact CD1-CD1 4.34Å; L393-L397 HydrophobicContact CD1-CG 4.4Å; L393-L397 HydrophobicContact CG-CD1 4.11Å; L393-L397 VanDerWaalsContact O-CG 3.31Å; L393-L397 WeakPolarHBondContact O-CG 3.31Å; L393-L397 PolarHBondContact O-N 3.36Å; L394-L397 PolarHBondContact O-N 3.07Å; L397-A399 PolarHBondContact O-N 3.37Å; L397-P400 WeakPolarHBondContact O-CD 3.22Å
398L89.2Confident83.7Confident73 Ų7395.4 Ų95.438%0.38247%0.47SS..SBendtrans-77.93.5177.3-60.3177.8000113.4L394 D401 I402L394-L398 HydrophobicContact CD1-CD1 3.81Å; L394-L398 HydrophobicContact CD1-CG 4.15Å; L394-L398 HydrophobicContact CG-CD1 3.92Å; L394-L398 HydrophobicContact CG-CG 4.49Å; L394-L398 WeakPolarHBondContact O-CB 3.37Å; L394-L398 WeakPolarHBondContact O-CG 3.14Å; L394-L398 PolarHBondContact O-N 2.91Å; L398-D401 PolarHBondContact O-N 3.31Å; L398-D401 VanDerWaalsContact O-N 3.17Å; L398-I402 HydrophobicContact CB-CD1 3.63Å; L398-I402 HydrophobicContact CB-CG1 4.07Å; L398-I402 WeakPolarHBondContact O-CB 3.39Å; L398-I402 VanDerWaalsContact O-CG1 3.28Å; L398-I402 WeakPolarHBondContact O-CG1 3.39Å; L398-I402 PolarHBondContact O-N 3.03Å
399A83.6Confident85.2Confident7 Ų795.1 Ų95.16%0.05846%0.458CS..Hα-helixtrans-54.7-39.6178.700000114.3F217 E395 M396 L397 R403F217-A399 HydrophobicContact CD2-CB 3.86Å; F217-A399 HydrophobicContact CE2-CB 3.65Å; E395-A399 WeakPolarHBondContact O-CA 3.28Å; E395-A399 WeakPolarHBondContact O-CB 3.33Å; E395-A399 PolarHBondContact O-N 3.39Å; M396-A399 WeakPolarHBondContact O-CB 3.41Å; L397-A399 PolarHBondContact O-N 3.37Å; A399-R403 WeakPolarHBondContact O-CB 3.47Å; A399-R403 VanDerWaalsContact O-CG 3.23Å; A399-R403 WeakPolarHBondContact O-CG 3.46Å; A399-R403 VanDerWaalsContact O-CZ 3.22Å; A399-R403 PolarHBondContact O-N 3.23Å; A399-R403 PolarHBondContact O-NE 2.79Å; A399-R403 PolarHBondContact O-NH2 2.86Å
400P84.9Confident86Confident68 Ų6888.3 Ų88.344%0.44244%0.438SS..Hα-helixtrans-60.8-49.8173.9-19.734000111.5L397 R403 H404L397-P400 WeakPolarHBondContact O-CD 3.22Å; P400-R403 WeakPolarHBondContact O-CB 3.46Å; P400-R403 PolarHBondContact O-N 3.45Å; P400-H404 PolarHBondContact O-N 3.17Å
401D88.8Confident86.7Confident82 Ų8280.1 Ų80.144%0.43941%0.41SS..Hα-helixtrans-71.5-47.7-169-42.5-42.6000110.6L398 R403 H404 E405L398-D401 PolarHBondContact O-N 3.31Å; L398-D401 VanDerWaalsContact O-N 3.17Å; D401-R403 PolarHBondContact O-N 3.35Å; D401-R403 VanDerWaalsContact O-N 3.14Å; D401-H404 CarbonylContact O-C 3.55Å; D401-H404 WeakPolarHBondContact O-CA 3.36Å; D401-H404 WeakPolarHBondContact O-CB 3.34Å; D401-H404 PolarHBondContact O-N 3.15Å; D401-E405 WeakPolarHBondContact O-CG 3.46Å; D401-E405 PolarHBondContact O-N 3.27Å
402I86.2Confident87.1Confident42 Ų4282 Ų8222%0.21542%0.42CS..Hα-helixtrans-57.7-30.9173.8-66.3167.4000111.5L398 R406L398-I402 HydrophobicContact CB-CD1 3.63Å; L398-I402 HydrophobicContact CB-CG1 4.07Å; L398-I402 WeakPolarHBondContact O-CB 3.39Å; L398-I402 VanDerWaalsContact O-CG1 3.28Å; L398-I402 WeakPolarHBondContact O-CG1 3.39Å; L398-I402 PolarHBondContact O-N 3.03Å; I402-R406 VanDerWaalsContact CG2-CZ 3.4Å; I402-R406 VanDerWaalsContact O-CB 3.27Å; I402-R406 WeakPolarHBondContact O-CB 3.31Å; I402-R406 WeakPolarHBondContact O-CD 3.47Å; I402-R406 WeakPolarHBondContact O-CG 3.28Å; I402-R406 PolarHBondContact O-N 3.24Å; I402-R406 VanDerWaalsContact O-N 3.16Å
403R83.9Confident87.2Confident44 Ų4482.4 Ų82.417%0.16642%0.422CS..Hα-helixtrans-78-35.5173.5-73.6177.2-60.2-141.20.5112.2T215 A399 P400 D401 N407T215-R403 PolarHBondContact O-NH1 2.99Å; A399-R403 WeakPolarHBondContact O-CB 3.47Å; A399-R403 VanDerWaalsContact O-CG 3.23Å; A399-R403 WeakPolarHBondContact O-CG 3.46Å; A399-R403 VanDerWaalsContact O-CZ 3.22Å; A399-R403 PolarHBondContact O-N 3.23Å; A399-R403 PolarHBondContact O-NE 2.79Å; A399-R403 PolarHBondContact O-NH2 2.86Å; P400-R403 WeakPolarHBondContact O-CB 3.46Å; P400-R403 PolarHBondContact O-N 3.45Å; D401-R403 PolarHBondContact O-N 3.35Å; D401-R403 VanDerWaalsContact O-N 3.14Å; R403-N407 WeakPolarHBondContact O-CB 3.48Å; R403-N407 VanDerWaalsContact O-CG 3.28Å; R403-N407 PolarHBondContact O-N 3.39Å; R403-N407 PolarHBondContact O-ND2 3.18Å
404H86.6Confident87.2Confident132 Ų13280.7 Ų80.761%0.61141%0.407SS*.Hα-helixtrans-64-54.4174-179.568.7000110.6P400 D401 R406 N407 V408P400-H404 PolarHBondContact O-N 3.17Å; D401-H404 CarbonylContact O-C 3.55Å; D401-H404 WeakPolarHBondContact O-CA 3.36Å; D401-H404 WeakPolarHBondContact O-CB 3.34Å; D401-H404 PolarHBondContact O-N 3.15Å; H404-R406 PolarHBondContact O-N 3.38Å; H404-N407 WeakPolarHBondContact O-CB 3.43Å; H404-N407 PolarHBondContact O-N 2.99Å; H404-V408 PolarHBondContact O-N 3.17Å
405E90.9Very high87.2Confident117 Ų11778.5 Ų78.555%0.54739%0.391SS..Hα-helixtrans-53.8-48.8176.4-68.5175.3164.200112.3D401 N407 V408 L409D401-E405 WeakPolarHBondContact O-CG 3.46Å; D401-E405 PolarHBondContact O-N 3.27Å; E405-N407 VanDerWaalsContact C-N 3.32Å; E405-N407 PolarHBondContact O-N 2.87Å; E405-V408 PolarHBondContact O-N 3.46Å; E405-V408 VanDerWaalsContact O-N 3.14Å; E405-L409 WeakPolarHBondContact O-CG 3.44Å; E405-L409 PolarHBondContact O-N 2.94Å
406R90.4Very high87.5Confident146 Ų14677 Ų7755%0.55139%0.387SS*.Hα-helixtrans-65.2-32.9178.3-72.7172.6-178.1171.33.6113L212 I402 H404 L410L212-R406 HydrophobicContact CD1-CB 3.36Å; L212-R406 HydrophobicContact CD1-CG 4.41Å; I402-R406 VanDerWaalsContact CG2-CZ 3.4Å; I402-R406 VanDerWaalsContact O-CB 3.27Å; I402-R406 WeakPolarHBondContact O-CB 3.31Å; I402-R406 WeakPolarHBondContact O-CD 3.47Å; I402-R406 WeakPolarHBondContact O-CG 3.28Å; I402-R406 PolarHBondContact O-N 3.24Å; I402-R406 VanDerWaalsContact O-N 3.16Å; H404-R406 PolarHBondContact O-N 3.38Å; R406-L410 WeakPolarHBondContact O-CB 3.4Å; R406-L410 WeakPolarHBondContact O-CG 3.24Å; R406-L410 PolarHBondContact O-N 3.29Å
407N88.3Confident87.7Confident15 Ų1576.7 Ų76.78%0.0839%0.39CS..Hα-helixtrans-67.5-39.7172.5-79.2-46000111.1G210 V211 L212 R403 H404 E405 L410 Q411G210-N407 WeakPolarHBondContact CA-OD1 3.21Å; V211-N407 PolarHBondContact N-OD1 3.05Å; L212-N407 WeakPolarHBondContact CB-OD1 3.35Å; L212-N407 PolarHBondContact N-OD1 2.82Å; R403-N407 WeakPolarHBondContact O-CB 3.48Å; R403-N407 VanDerWaalsContact O-CG 3.28Å; R403-N407 PolarHBondContact O-N 3.39Å; R403-N407 PolarHBondContact O-ND2 3.18Å; H404-N407 WeakPolarHBondContact O-CB 3.43Å; H404-N407 PolarHBondContact O-N 2.99Å; E405-N407 VanDerWaalsContact C-N 3.32Å; E405-N407 PolarHBondContact O-N 2.87Å; N407-L410 PolarHBondContact O-N 2.89Å; N407-Q411 VanDerWaalsContact O-CG 3.3Å; N407-Q411 WeakPolarHBondContact O-CG 3.46Å; N407-Q411 PolarHBondContact O-N 3.16Å
408V89.8Confident87.6Confident57 Ų5777.5 Ų77.535%0.34539%0.385SS..Hα-helixtrans-64.1-43.2173.6175.90000111.5H404 E405 L410 Q411 C412H404-V408 PolarHBondContact O-N 3.17Å; E405-V408 PolarHBondContact O-N 3.46Å; E405-V408 VanDerWaalsContact O-N 3.14Å; V408-L410 VanDerWaalsContact C-N 3.34Å; V408-L410 PolarHBondContact O-N 3.37Å; V408-Q411 WeakPolarHBondContact O-CB 3.4Å; V408-Q411 PolarHBondContact O-N 3.31Å; V408-C412 PolarHBondContact O-N 3.16Å; V408-C412 PolarHBondContact O-SG 3.32Å; V408-C412 VanDerWaalsContact O-SG 3.33Å
409L90.3Very high87.7Confident114 Ų11477.3 Ų77.360%0.59738%0.384SS*.Hα-helixtrans-62.8-39.7174.3-68.3172.7000112.1E405 Q411 C412 V413E405-L409 WeakPolarHBondContact O-CG 3.44Å; E405-L409 PolarHBondContact O-N 2.94Å; L409-Q411 VanDerWaalsContact C-N 3.35Å; L409-C412 PolarHBondContact O-N 3.06Å; L409-V413 WeakPolarHBondContact O-CG2 3.28Å; L409-V413 PolarHBondContact O-N 3.46Å
410L87Confident87.6Confident81 Ų8182 Ų8242%0.42441%0.405SS..Hα-helixtrans-67.8-32.2174.4-73.7169.3000112.6L212 R406 N407 V408 R414L212-L410 HydrophobicContact CD1-CD1 3.83Å; L212-L410 HydrophobicContact CD2-CD1 4.27Å; L212-L410 HydrophobicContact CG-CD1 3.82Å; R406-L410 WeakPolarHBondContact O-CB 3.4Å; R406-L410 WeakPolarHBondContact O-CG 3.24Å; R406-L410 PolarHBondContact O-N 3.29Å; N407-L410 PolarHBondContact O-N 2.89Å; V408-L410 VanDerWaalsContact C-N 3.34Å; V408-L410 PolarHBondContact O-N 3.37Å; L410-R414 WeakPolarHBondContact O-CB 3.43Å; L410-R414 PolarHBondContact O-N 3.15Å
411Q86.9Confident87.4Confident66 Ų6685.1 Ų85.131%0.30841%0.411SS..Hα-helixtrans-62.2-48.6169.6-74.8165-14.400111.1I208 N407 V408 L409 R414 Y415I208-Q411 WeakPolarHBondContact O-CG 3.43Å; I208-Q411 PolarHBondContact O-NE2 2.89Å; N407-Q411 VanDerWaalsContact O-CG 3.3Å; N407-Q411 WeakPolarHBondContact O-CG 3.46Å; N407-Q411 PolarHBondContact O-N 3.16Å; V408-Q411 WeakPolarHBondContact O-CB 3.4Å; V408-Q411 PolarHBondContact O-N 3.31Å; L409-Q411 VanDerWaalsContact C-N 3.35Å; Q411-R414 PolarHBondContact O-N 3.37Å; Q411-Y415 WeakPolarHBondContact O-CB 3.36Å; Q411-Y415 PolarHBondContact O-N 3.42Å
412C89.1Confident87.1Confident70 Ų7087.8 Ų87.847%0.47342%0.419SS..Hα-helixtrans-59.2-47.7176.1-64.30000111.8V408 L409 Y415 V416V408-C412 PolarHBondContact O-N 3.16Å; V408-C412 PolarHBondContact O-SG 3.32Å; V408-C412 VanDerWaalsContact O-SG 3.33Å; L409-C412 PolarHBondContact O-N 3.06Å; C412-Y415 WeakPolarHBondContact O-CB 3.43Å; C412-Y415 PolarHBondContact O-N 2.85Å; C412-V416 WeakPolarHBondContact O-CG2 3.41Å; C412-V416 PolarHBondContact O-N 3.03Å
413V88.1Confident86.5Confident87 Ų8787.9 Ų87.953%0.52743%0.43SS..Hα-helixtrans-61.9-45.4176.9171.90000111.4L409 Y415 V416 V417L409-V413 WeakPolarHBondContact O-CG2 3.28Å; L409-V413 PolarHBondContact O-N 3.46Å; V413-Y415 VanDerWaalsContact C-N 3.28Å; V413-Y415 PolarHBondContact O-N 3.41Å; V413-V416 PolarHBondContact O-N 2.88Å; V413-V417 HydrophobicContact CG1-CG2 4.47Å; V413-V417 WeakPolarHBondContact O-CG2 3.37Å; V413-V417 PolarHBondContact O-N 3.26Å
414R86Confident85.7Confident98 Ų9892.7 Ų92.737%0.3746%0.459SS..Hα-helixtrans-62.8-34.7177.8-170.6-177.2-177.5-178.44.2112.2E206 Q207 L410 Q411 R418E206-R414 PolarHBondContact O-NH1 2.75Å; Q207-R414 PolarHBondContact O-NH1 2.94Å; L410-R414 WeakPolarHBondContact O-CB 3.43Å; L410-R414 PolarHBondContact O-N 3.15Å; Q411-R414 PolarHBondContact O-N 3.37Å; R414-R418 WeakPolarHBondContact O-CB 3.47Å; R414-R418 WeakPolarHBondContact O-CG 3.37Å; R414-R418 PolarHBondContact O-N 3.3Å
415Y87.9Confident84.4Confident67 Ų6791.2 Ų91.226%0.26345%0.452SS..Hα-helixtrans-66.5-48.4172.1172.2-104.7000111.8L331 Q411 C412 V413 V417 R418 N419 F421L331-Y415 HydrophobicContact CD1-CE2 4.28Å; L331-Y415 HydrophobicContact CD2-CD2 4.44Å; L331-Y415 HydrophobicContact CD2-CE2 3.39Å; L331-Y415 WeakPolarHBondContact CD2-OH 3.41Å; L331-Y415 HydrophobicContact CG-CE2 4.49Å; Q411-Y415 WeakPolarHBondContact O-CB 3.36Å; Q411-Y415 PolarHBondContact O-N 3.42Å; C412-Y415 WeakPolarHBondContact O-CB 3.43Å; C412-Y415 PolarHBondContact O-N 2.85Å; V413-Y415 VanDerWaalsContact C-N 3.28Å; V413-Y415 PolarHBondContact O-N 3.41Å; Y415-V417 VanDerWaalsContact C-N 3.27Å; Y415-V417 PolarHBondContact O-N 2.9Å; Y415-R418 PolarHBondContact O-N 3.3Å; Y415-N419 WeakPolarHBondContact CE2-ND2 3.3Å; Y415-N419 WeakPolarHBondContact CE2-OD1 3.24Å; Y415-N419 WeakPolarHBondContact O-CB 3.45Å; Y415-N419 PolarHBondContact O-N 3.43Å; Y415-N419 VanDerWaalsContact O-N 3.08Å; Y415-N419 PolarHBondContact O-OD1 3.34Å; Y415-N419 PolarHBondContact OH-ND2 3.2Å; Y415-F421 HydrophobicContact CE1-CE2 4.06Å
416V89.4Confident82.8Confident45 Ų4592.3 Ų92.327%0.27346%0.462SS..Hα-helixtrans-60.4-37178.4174.70000111.9C412 V413 H420 F421 F422C412-V416 WeakPolarHBondContact O-CG2 3.41Å; C412-V416 PolarHBondContact O-N 3.03Å; V413-V416 PolarHBondContact O-N 2.88Å; V416-H420 PolarHBondContact O-N 3.05Å; V416-F421 HydrophobicContact CB-CD2 4.39Å; V416-F421 HydrophobicContact CG1-CB 3.92Å; V416-F421 HydrophobicContact CG1-CD2 4.15Å; V416-F421 HydrophobicContact CG1-CG 4.36Å; V416-F421 PolarHBondContact O-N 3.33Å; V416-F422 HydrophobicContact CG1-CD2 4.3Å; V416-F422 HydrophobicContact CG1-CE2 3.52Å; V416-F422 HydrophobicContact CG1-CZ 3.68Å
417V87.6Confident81Confident83 Ų8388.9 Ų88.950%0.50347%0.472SS..Hα-helixtrans-70.7-48.1174.4173.60000112.1V413 Y415 N419 H420V413-V417 HydrophobicContact CG1-CG2 4.47Å; V413-V417 WeakPolarHBondContact O-CG2 3.37Å; V413-V417 PolarHBondContact O-N 3.26Å; Y415-V417 VanDerWaalsContact C-N 3.27Å; Y415-V417 PolarHBondContact O-N 2.9Å; V417-N419 PolarHBondContact O-N 2.94Å; V417-N419 VanDerWaalsContact O-N 3.14Å; V417-H420 PolarHBondContact O-N 2.99Å
418R85.3Confident79.3Confident133 Ų13393.2 Ų93.250%0.50250%0.503SS..Hα-helixtrans-58.3-26.5177.9-80-164.2-154.5100.6-20.2113.8R414 Y415 H420R414-R418 WeakPolarHBondContact O-CB 3.47Å; R414-R418 WeakPolarHBondContact O-CG 3.37Å; R414-R418 PolarHBondContact O-N 3.3Å; Y415-R418 PolarHBondContact O-N 3.3Å; R418-H420 PolarHBondContact O-CD2 3.24Å; R418-H420 PolarHBondContact O-NE2 2.8Å
419N89.8Confident77.4Confident70 Ų7097.4 Ų97.437%0.37452%0.519SS..THydrogen-bonded Turntrans-97.510-179-74.446.5000112.6Y415 V417 F421Y415-N419 WeakPolarHBondContact CE2-ND2 3.3Å; Y415-N419 WeakPolarHBondContact CE2-OD1 3.24Å; Y415-N419 WeakPolarHBondContact O-CB 3.45Å; Y415-N419 PolarHBondContact O-N 3.43Å; Y415-N419 VanDerWaalsContact O-N 3.08Å; Y415-N419 PolarHBondContact O-OD1 3.34Å; Y415-N419 PolarHBondContact OH-ND2 3.2Å; V417-N419 PolarHBondContact O-N 2.94Å; V417-N419 VanDerWaalsContact O-N 3.14Å; N419-F421 HydrophobicContact CB-CD2 3.51Å; N419-F421 HydrophobicContact CB-CE2 3.37Å; N419-F421 HydrophobicContact CB-CZ 4.39Å; N419-F421 PolarHBondContact O-N 2.91Å
420H82.5Confident75.2Confident105 Ų105100.2 Ų100.249%0.48654%0.535SS..THydrogen-bonded Turntrans53.525.5172.8-47.1-82000115.6V416 V417 R418 F422 G423 E425V416-H420 PolarHBondContact O-N 3.05Å; V417-H420 PolarHBondContact O-N 2.99Å; R418-H420 PolarHBondContact O-CD2 3.24Å; R418-H420 PolarHBondContact O-NE2 2.8Å; H420-F422 PolarHBondContact O-N 3.2Å; H420-G423 PolarHBondContact O-N 3.11Å; H420-E425 IonicContact CE1-OE1 3.43Å; H420-E425 PolarHBondContact CE1-OE1 2.8Å; H420-E425 IonicContact CE1-OE2 3.17Å; H420-E425 PolarHBondContact CE1-OE2 2.77Å; H420-E425 IonicContact CG-OE1 3.93Å; H420-E425 IonicContact ND1-OE1 2.75Å; H420-E425 PolarHBondContact ND1-OE1 2.97Å; H420-E425 IonicContact ND1-OE2 3.17Å; H420-E425 PolarHBondContact ND1-OE2 2.95Å
421F81.6Confident73.4Confident133 Ų133107.8 Ų107.858%0.58356%0.558SS**THydrogen-bonded Turntrans-55.9-17-175-81.8-83000115.1Y415 V416 N419Y415-F421 HydrophobicContact CE1-CE2 4.06Å; V416-F421 HydrophobicContact CB-CD2 4.39Å; V416-F421 HydrophobicContact CG1-CB 3.92Å; V416-F421 HydrophobicContact CG1-CD2 4.15Å; V416-F421 HydrophobicContact CG1-CG 4.36Å; V416-F421 PolarHBondContact O-N 3.33Å; N419-F421 HydrophobicContact CB-CD2 3.51Å; N419-F421 HydrophobicContact CB-CE2 3.37Å; N419-F421 HydrophobicContact CB-CZ 4.39Å; N419-F421 PolarHBondContact O-N 2.91Å
422F82.3Confident71.3Confident139 Ų139113.7 Ų113.761%0.6159%0.585SS**THydrogen-bonded Turntrans-92.2-7.2178.1-59-63.8000114.4V416 H420 L424V416-F422 HydrophobicContact CG1-CD2 4.3Å; V416-F422 HydrophobicContact CG1-CE2 3.52Å; V416-F422 HydrophobicContact CG1-CZ 3.68Å; H420-F422 PolarHBondContact O-N 3.2Å; F422-L424 HydrophobicContact CB-CD1 4.09Å; F422-L424 HydrophobicContact CB-CG 3.92Å; F422-L424 PolarHBondContact O-N 2.76Å; F422-L424 VanDerWaalsContact O-N 3.11Å
423G72.1Confident69.1Low43 Ų43113.8 Ų113.844%0.44360%0.599SS.*  trans64.512.1175.400000116.4H420 E425H420-G423 PolarHBondContact O-N 3.11Å; G423-E425 VanDerWaalsContact C-N 3.29Å; G423-E425 PolarHBondContact O-N 3.08Å
424L67.8Low67.3Low146 Ų146116.7 Ų116.776%0.76461%0.609SS**G310 helixtrans-72.4-16.2-169.2-62177.1000114.6F422 N426F422-L424 HydrophobicContact CB-CD1 4.09Å; F422-L424 HydrophobicContact CB-CG 3.92Å; F422-L424 PolarHBondContact O-N 2.76Å; F422-L424 VanDerWaalsContact O-N 3.11Å; L424-N426 VanDerWaalsContact C-N 3.34Å
425E60.2Low64.9Low100 Ų100118.6 Ų118.647%0.46763%0.627SS.*G310 helixtrans-82.1-13.4-176.4-74.9163.4-119.300113.3H420 G423 G427H420-E425 IonicContact CE1-OE1 3.43Å; H420-E425 PolarHBondContact CE1-OE1 2.8Å; H420-E425 IonicContact CE1-OE2 3.17Å; H420-E425 PolarHBondContact CE1-OE2 2.77Å; H420-E425 IonicContact CG-OE1 3.93Å; H420-E425 IonicContact ND1-OE1 2.75Å; H420-E425 PolarHBondContact ND1-OE1 2.97Å; H420-E425 IonicContact ND1-OE2 3.17Å; H420-E425 PolarHBondContact ND1-OE2 2.95Å; G423-E425 VanDerWaalsContact C-N 3.29Å; G423-E425 PolarHBondContact O-N 3.08Å; E425-G427 PolarHBondContact O-N 2.83Å
426N55.8Low62.7Low140 Ų140124.9 Ų124.975%0.74966%0.659SS**G310 helixtrans-68-1.3174.6-61.920.4000113.3L424L424-N426 VanDerWaalsContact C-N 3.34Å
427G53.9Low60.3Low74 Ų74131.1 Ų131.176%0.76369%0.685SS**G310 helixtrans-86.3-4.2-178.400000115.9E425E425-G427 PolarHBondContact O-N 2.83Å
428S51.6Low57.8Low107 Ų107134.3 Ų134.375%0.74870%0.699SS**SBendtrans-150.728.3-173.264.30000115.7
429Q49.2Very low55.3Low145 Ų145136.3 Ų136.368%0.67872%0.719SS**  trans-109.87.7179.3-77.2-169.9-22.200115.6R431Q429-R431 PolarHBondContact O-N 2.86Å
430D46Very low52.4Low173 Ų173139.2 Ų139.293%0.92574%0.74SS**THydrogen-bonded Turntrans-70.648.3168.2-73.6-27.8000112.7
431R47.2Very low50Low240 Ų240140.5 Ų140.591%0.90675%0.754SS**THydrogen-bonded Turntrans-160.9-13.9171.1-127.3170.6-178.1179.6-1.3119.7Q429Q429-R431 PolarHBondContact O-N 2.86Å
432E44.2Very low47.6Very low189 Ų189140.2 Ų140.288%0.88377%0.769SS**  trans-117.830.2-173.1-65.4-172.5166.100113.8I434E432-I434 PolarHBondContact O-N 2.76Å
433G43.1Very low45.1Very low73 Ų73137.5 Ų137.575%0.75377%0.772SS**  trans-81.490.4163.500000111.7
434I49.4Very low43Very low147 Ų147141.8 Ų141.875%0.75479%0.79SS**  trans-169.3139.7158.4-101.5151.9000108.8E432E432-I434 PolarHBondContact O-N 2.76Å
435N36.7Very low41.3Very low138 Ų138140 Ų14074%0.73879%0.789SS**SBendtrans64.282.2172.6-58.6-20.4000118.6
436Q41.2Very low40Very low199 Ų199143.4 Ų143.493%0.9381%0.805SS**  -172.681.8115.6-100.7153103.700112.4
437E39.1Very low38.8Very low176 Ų176143.2 Ų143.282%0.82280%0.804SS**  trans-114.2154.5154.1-72.7-176.8-155.300108.6
438N34.2Very low38Very low151 Ų151148.1 Ų148.181%0.80781%0.807SS**  trans71.9108.2-171.8-48-65.7000115.9
439L32.9Very low37Very low175 Ų175152 Ų15292%0.91681%0.813SS**  -172.698.9102-100.3164.6000111.6
440T30Very low36.2Very low131 Ų131152.4 Ų152.480%0.80482%0.815SS**  trans-107.4117.2165.639.60000110.6
441V32.1Very low36.2Very low131 Ų131149.6 Ų149.679%0.79481%0.806SS**  trans51.2107.9151.1-169.90000118.1
442S29.6Very low35.2Very low128 Ų128143.4 Ų143.490%0.89580%0.795SS**  trans-149.6157.5134.4-81.80000109
443A31.6Very low34.5Very low81 Ų81138.9 Ų138.967%0.66978%0.784SS**  trans-145.8172.5-165.600000112.7
444T28Very low33.9Very low133 Ų133146.1 Ų146.182%0.81679%0.789SS**  trans80.1151.2167.471.20000118.6
445S32Very low33Very low109 Ų109144.3 Ų144.376%0.76279%0.789SS**  trans67148178.770.70000118.2
446E32.9Very low32.6Very low171 Ų171144.4 Ų144.480%0.79979%0.79SS**  cis-166165.6-42.6-132163.9-15700110
447L30.8Very low32.2Very low137 Ų137139.8 Ų139.872%0.71778%0.779SS**  trans63.5101.2160.9-60.7170.1000121.2
448E36.9Very low31.7Very low176 Ų176138 Ų13882%0.82278%0.775SS**  64.6152.7120.1-64.6-173.2144.800125.2
449E30.3Very low31.6Very low189 Ų189136 Ų13688%0.88377%0.768SS**  trans81.6108.5163-53.7-124.4122.800121.7
450E33.1Very low31.5Very low154 Ų154135.2 Ų135.272%0.7276%0.76SS**  trans-53.4162.7147.9-85.1-79.915100111.5V452E450-V452 PolarHBondContact OE2-N 3.02Å
451P45.1Very low31.5Very low113 Ų113134.9 Ų134.973%0.73475%0.753SS**  -159.4153.552.744-21.1000121.8
452V26.9Very low31.6Very low110 Ų110134.5 Ų134.567%0.66774%0.742SS**  56.599.9126.9-174.70000121E450E450-V452 PolarHBondContact OE2-N 3.02Å
453S29.3Very low31.7Very low95 Ų95137.6 Ų137.666%0.66473%0.734SS**  101.9148.212181.90000125.7
454R29.4Very low31.6Very low225 Ų225141.7 Ų141.785%0.84974%0.739SS**  trans67.3116.5138.1-87.4176.9165.6146.4-3.9122.9
455S30.3Very low31.5Very low108 Ų108143.5 Ų143.576%0.75574%0.736SS**  171.7152.3121.535.40000110.4
456D29.5Very low31.4Very low141 Ų141143.8 Ų143.875%0.75473%0.725SS**  cis-164.5169.6-19.7-110.7-37.2000112.3
457S32.6Very low31.2Very low101 Ų101140.6 Ų140.671%0.70672%0.718SS**  trans69.2153.1157.577.30000118.7
458N28.5Very low31.1Very low138 Ų138140.5 Ų140.574%0.73872%0.717SS**  cis-155.8139.4-11.7-112.8-6.4000108.2
459V31.6Very low30.7Very low109 Ų109139.3 Ų139.366%0.66172%0.715SS**  60.7125.288.7173.90000112.1
460H30.4Very low30.9Very low160 Ų160136.7 Ų136.774%0.74171%0.712SS**  cis-132.5-177.631.6-87.2-81.4000111.5
461D30Very low31.4Very low124 Ų124134.7 Ų134.766%0.66371%0.712SS**  cis-163.2168.9-2-119.9-2.9000113.6
462E34.3Very low30.7Very low123 Ų123135.9 Ų135.958%0.57571%0.712SS**  trans29.8139.7139.3-54.1-82.270.200122.5
463R32.3Very low31.1Very low192 Ų192133.7 Ų133.773%0.72570%0.702SS**  cis-159.5141.3-4-100.3175.3-61.6-137.60.4108.2
464H29.5Very low31.3Very low168 Ų168138.7 Ų138.778%0.77871%0.706SS**  41135.585.1-83.7-98.6000115.4
465F26.5Very low31.4Very low170 Ų170135 Ų13575%0.74670%0.703SS**  -163.3160.753.7-153-127.8000107.1
466E28.8Very low31.6Very low115 Ų115138.2 Ų138.254%0.53771%0.71SS.*  cis-146.7177.25.6-149.3-168139.700106.2L468E466-L468 PolarHBondContact OE1-N 2.83Å
467T28.8Very low31.6Very low104 Ų104140.7 Ų140.764%0.63872%0.717SS**  cis60.4166.522.230.70000115.4
468L28.8Very low31.4Very low136 Ų136139.3 Ų139.371%0.71272%0.718SS**  cis-100.1-149-13.9-74.5168.6000109.4E466E466-L468 PolarHBondContact OE1-N 2.83Å
469I27.9Very low31.4Very low150 Ų150141.4 Ų141.477%0.76973%0.729SS**  cis-149.4149.32.1-44.5161.1000108.8
470V35.4Very low31.1Very low134 Ų134139.7 Ų139.781%0.81273%0.733SS**  trans-141.6142.1163.5176.10000109
471P44.2Very low31Very low113 Ų113137.1 Ų137.173%0.73473%0.733SS**  trans-138.5153.9131.136.2-23.8000111.7
472D29.6Very low31Very low137 Ų137140.1 Ų140.173%0.73374%0.743SS**  cis105.8145.321.7-173.153.7000115.5
473S34.8Very low30.7Very low64 Ų64139.8 Ų139.845%0.44875%0.754SS.*  trans88.8109.7160.5-74.80000123.6
474R34.3Very low30.6Very low201 Ų201135 Ų13576%0.75876%0.756SS**  77.1114.6120.3-66173.3-117-148.6-7.2124.3
475D31.8Very low30.8Very low147 Ų147134 Ų13479%0.78675%0.752SS**  45.4123.5118.8-38.8-34.7000123.5
476I33.1Very low31.1Very low175 Ų175134.1 Ų134.190%0.89775%0.747SS**  trans-146.4142.7150.5-63.4-172.1000109.8
477E31.1Very low31.1Very low194 Ų194133.6 Ų133.691%0.90775%0.752SS**  trans-95165.2177.3-54.6-179.2135.900113.7
478G27.8Very low31.3Very low71 Ų71136.1 Ų136.173%0.73276%0.756SS**  trans176.772.9171.600000121.7
479L29.3Very low31.4Very low182 Ų182137.9 Ų137.995%0.95376%0.761SS**  trans53.7125.5141-57176.1000124
480G24.9Very low31.3Very low73 Ų73135.3 Ų135.375%0.75376%0.756SS**  trans82.3162141.500000119.1
481S28.4Very low31.1Very low106 Ų106134.5 Ų134.574%0.74176%0.757SS**  cis177.2163.8-30.839.80000108.6
482E28.9Very low30.5Very low187 Ų187139.3 Ų139.387%0.87476%0.76SS**  trans73.5158.6175.4-48.5-175.2117.300117
483S28.9Very low30.6Very low116 Ų116140.5 Ų140.581%0.81176%0.761SS**  179.6176.3-65.4-87.30000110.4
484A30.8Very low30.4Very low91 Ų91142.9 Ų142.975%0.75278%0.778SS**  trans76.6127.9-174.700000114.9
485E32.8Very low30.3Very low148 Ų148138.8 Ų138.869%0.69278%0.775SS**  69.2135.858.7-66.5-153.5152.200112.8
486R33Very low30.3Very low173 Ų173140.8 Ų140.865%0.65378%0.78SS**  cis-159.4-177.18.8-112.6167.5-160.2-77.3-14.5108.3
487T29.4Very low30.1Very low104 Ų104137.4 Ų137.464%0.63877%0.772SS**  cis-159.2173.612.3-8.50000111.6
488E32.7Very low30.3Very low156 Ų156136.1 Ų136.173%0.72977%0.769SS**  trans-16.8163.6137.3-73.5142-127.400119.3
489E30.1Very low30.8Very low174 Ų174139.1 Ų139.181%0.81376%0.764SS**  cis-171.8170.8-19.7-158.2-155154.800108.4
490S26.6Very low30.9Very low96 Ų96139.4 Ų139.467%0.67176%0.761SS**  trans58.9126.2147.2-164.20000122.6
491S29.8Very low31.7Very low117 Ų117142.8 Ų142.882%0.81876%0.755SS**  -175166.8120.934.10000112.2
492R32.2Very low32Very low213 Ų213144.9 Ų144.980%0.80476%0.763SS**  trans-129171.2-175.6-66.7-178.2175-179.5-0.7111.8
493E32.8Very low32.3Very low162 Ų162140.7 Ų140.776%0.75776%0.761SS**  trans69.9156160.7-68.9142.7-134.900114.5
494S29.1Very low32.6Very low115 Ų115141.6 Ų141.680%0.80476%0.762SS**  cis-150.6-175.825.2-158.80000115.1
495V33.3Very low32.9Very low114 Ų114140.8 Ų140.869%0.69176%0.755SS**  trans-83.8155.5-169.2-173.60000113.1
496Q31.6Very low33.2Very low189 Ų189142.6 Ų142.688%0.88376%0.763SS**  trans-152148.4141.9-120.6162.168.200113.6
497S28.3Very low33Very low104 Ų104140.2 Ų140.273%0.72777%0.773SS**  trans-143.9146.8179.4-56.60000109.7
498I35.4Very low33.1Very low167 Ų167138.3 Ų138.386%0.85677%0.774SS**  trans-140.2142.1167-63.1-174.7000108.8
499E38.8Very low33.1Very low134 Ų134140.4 Ų140.463%0.62678%0.784SS**  trans-110.5156.4174.4-52.9-178.9109.900111.4K501E499-K501 WeakPolarHBondContact OE1-CE 3.44Å; E499-K501 IonicContact OE1-NZ 2.65Å; E499-K501 PolarHBondContact OE1-NZ 3.12Å; E499-K501 IonicContact OE2-NZ 3.75Å; E499-K501 PolarHBondContact OE2-NZ 3.48Å
500E32.3Very low33.4Very low189 Ų189139.2 Ų139.288%0.88378%0.783SS**  trans-172.1134.6135.2-105.2179.3151.400107.7
501K40.3Very low34.6Very low143 Ų143139.7 Ų139.762%0.62278%0.783SS**  cis82.1101.522.6-62.2179.7-179.9161.40116.9E499E499-K501 WeakPolarHBondContact OE1-CE 3.44Å; E499-K501 IonicContact OE1-NZ 2.65Å; E499-K501 PolarHBondContact OE1-NZ 3.12Å; E499-K501 IonicContact OE2-NZ 3.75Å; E499-K501 PolarHBondContact OE2-NZ 3.48Å
502T35.9Very low34.7Very low150 Ų150139.9 Ų139.992%0.9278%0.78SS**  trans-144.2146.2145.245.60000109.6
503A35.3Very low34.6Very low100 Ų100135.5 Ų135.583%0.82678%0.782SS**  trans-164.4144.7-179.200000114
504T34.3Very low34.9Very low135 Ų135133.3 Ų133.383%0.82878%0.78SS**  trans-156.8117.5166.6-42.20000106
505A37.7Very low35.2Very low74 Ų74135 Ų13561%0.61278%0.78SS**  73.2136.358.600000113
506H38.4Very low35.4Very low185 Ų185137 Ų13786%0.85679%0.787SS**  cis-146.4168.418.1-87.1-82000114.6
507S28.9Very low35.5Very low123 Ų123136 Ų13686%0.8679%0.786SS**  trans86.7144.8156-148.60000117.9
508G32.3Very low35.9Very low64 Ų64135.4 Ų135.466%0.6678%0.781SS**  cis161.7175.5-11.700000116.4
509Q32.7Very low35.9Very low201 Ų201137.3 Ų137.394%0.93978%0.783SS**  trans64.2108.8177.6-70.1-167.5-18.600119.6
510D35Very low35.8Very low149 Ų149135.9 Ų135.980%0.79779%0.788SS**  trans-88.8168.6161.7-136.4-15.6000108.9
511P52.4Low36.1Very low105 Ų105134.7 Ų134.768%0.68279%0.788SS**  -157.9145.377.241.2-20.1000119.5
512T32Very low35.9Very low122 Ų122133.9 Ų133.975%0.74880%0.795SS**  trans52.1127.1137650000122.1
513S29.3Very low36Very low121 Ų121136.2 Ų136.285%0.84679%0.788SS**  -156.4146.2106.5-165.30000111.5
514T39.1Very low36.3Very low115 Ų115139.1 Ų139.171%0.70679%0.79SS**  trans-101.3161.5179.353.60000111.9
515N35.3Very low36.5Very low150 Ų150138.5 Ų138.580%0.80278%0.781SS**  -173.1127.8117-89.4-17.1000112.3
516N38.5Very low37Very low157 Ų157143.2 Ų143.284%0.8479%0.791SS**  trans-108.8137.7164.7-74.9-52.3000108.6
517I33.4Very low36.9Very low168 Ų168141.4 Ų141.486%0.86279%0.786SS**  trans-131.1153162.9-69.3-175.5000107.5
518S35.7Very low37.4Very low91 Ų91146.7 Ų146.764%0.63679%0.787SS**  trans-145.3162-159.8-45.80000113.6
519K36.1Very low37.8Very low207 Ų207151.7 Ų151.790%0.979%0.793SS**  trans74154.7168.7-56165.5-179.9175.80113.1
520S36.1Very low38.1Very low104 Ų104149.9 Ų149.973%0.72779%0.787SS**  cis-149.2160.12549.50000114.5
521N39Very low38.3Very low165 Ų165149.8 Ų149.888%0.88279%0.786SS**  trans-78.5147164.9-61.82.4000111.1
522V37.5Very low37.8Very low126 Ų126147.6 Ų147.676%0.76478%0.783SS**  trans-141.2143.1152.7179.20000107.5
523Y37.9Very low38Very low199 Ų199148 Ų14878%0.7879%0.789SS**  trans-104.7148.3171.6-120.1-93000107.5
524D40.8Very low38.6Very low160 Ų160147.2 Ų147.286%0.85678%0.784SS**  trans-161.4138.7151.9-90.2-41.7000109.8
525D38.5Very low38.7Very low122 Ų122149.9 Ų149.965%0.65279%0.793SS**  trans-124.9108.9-175.7-75.4-67.4000110.6
526E47.6Very low39.4Very low173 Ų173156.2 Ų156.281%0.80881%0.813SS**  trans-137.9108.2167-65.8-170.315700107.9
527I36.6Very low39.4Very low147 Ų147156.2 Ų156.275%0.75481%0.812SS**  58.796.462.5-51.5179.4000112.4
528W39.4Very low39.7Very low234 Ų234155.5 Ų155.589%0.88681%0.809SS**  trans-140.2102.1158.4-84.786.2000109.7
529E41.7Very low40Very low170 Ų170159.1 Ų159.179%0.79482%0.819SS**  trans-101.1175.8160.4-71-163.9138.200109.9
530M38.3Very low40.2Very low163 Ų163156.3 Ų156.380%0.80381%0.814SS**  trans74.3145.6175.8-47.5-172.667.500114.5
531D40Very low40.5Very low147 Ų147159.6 Ų159.679%0.78682%0.819SS**  cis-142170.110.4-137.7-24.6000113.3
532G40.5Very low40.6Very low59 Ų59159.2 Ų159.261%0.60882%0.815SS**  trans-109.1-157.5-174.700000116.5
533C37Very low40.8Very low129 Ų129161.6 Ų161.687%0.87282%0.819SS**  trans72.4151.4179.6-1190000115.3
534S40.6Very low41Very low106 Ų106158.7 Ų158.774%0.74182%0.822SS**  cis-136.7162.86.7-63.30000113
535L42.6Very low41Very low171 Ų171158.6 Ų158.690%0.89582%0.819SS**  trans-66.9153.5163.1-68.385.3000111.8
536K49.2Very low41.2Very low282 Ų282161.9 Ų161.9100%1.22683%0.834SS**  trans-155.70140.2-116.5172.6-174.5174.40111.1

Retrieved 536 of 536 residues in 180.5 ms (Link to these results)