A0A3Q0KRD3_SCHMA Loading...

Microtubule-associated protein

AlphaFold DB , UniProt , Accession A0A3Q0KRD3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 410 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
1M46.3Very low51.1Low247 Ų247155.9 Ų155.9100%1.21786%0.861SS**  0118.50-74.1-171.4117.700107.1
2L48.4Very low50.7Low176 Ų176156.2 Ų156.292%0.92186%0.859SS**PPolyproline II helixtrans-86.9137.9-164.6-80.7146.8000111.7
3T50Low50Low132 Ų132153.6 Ų153.681%0.8184%0.843SS**PPolyproline II helixtrans-69.2134.6171.247.90000111.2
4Q56.2Low49.3Very low195 Ų195157.8 Ų157.891%0.91184%0.842SS**PPolyproline II helixtrans-99.2130.6166.5-78.8-177.328.600110.2
5S59.4Low48.9Very low110 Ų110157.3 Ų157.377%0.76983%0.833SS**PPolyproline II helixtrans-83.8154.2174-52.50000112
6P61.9Low48Very low125 Ų125157.1 Ų157.181%0.81283%0.826SS**  trans-104146.1161.335.4-25000111.5
7V58.7Low48Very low135 Ų135157.2 Ų157.282%0.81883%0.825SS**  trans-116.4127.7171.2175.80000108.9
8Q43.7Very low47.6Very low188 Ų188156 Ų15688%0.87982%0.82SS**  trans-101.9135170-72.1171.3-44.500108.9
9E48.1Very low47.5Very low171 Ų171153.5 Ų153.580%0.79982%0.816SS**  trans-144.6102.8156.1-79.8-165.2173.700106.8
10T48.6Very low47.4Very low132 Ų132152.3 Ų152.381%0.8182%0.815SS**  79.4129.693.455.20000115.2
11S40.5Very low47.5Very low104 Ų104150.6 Ų150.673%0.72781%0.811SS**  trans-72.5163.9-171.4490000115.8
12L47.1Very low47.3Very low159 Ų159148.3 Ų148.383%0.83279%0.794SS**  trans160.999130.9-82.4164.8000108.6
13N40.6Very low47.1Very low123 Ų123150.6 Ų150.666%0.65879%0.79SS**  51.9115.999.1-159.718.6000115.5
14Y40.6Very low46.7Very low212 Ų212152.8 Ų152.883%0.83179%0.791SS**  trans-180110.6132.1-100.9-73.2000112.9
15Q44.1Very low45.7Very low151 Ų151151.5 Ų151.571%0.70679%0.79SS**  trans21.6119.9138.1-57.4-75.416.200122
16H34.6Very low44.9Very low153 Ų153151.9 Ų151.971%0.70879%0.792SS**  60.6106.2113.3-143.2-135.1000120.7
17I47.9Very low43.9Very low159 Ų159150.7 Ų150.782%0.81579%0.787SS**  trans-150.3114.1142.7-43.5175.9000110.4
18N40.7Very low43.1Very low136 Ų136154.2 Ų154.273%0.72779%0.792SS**  trans-85.2142.5162.6-77.3-40.2000109.4
19S44.9Very low43.1Very low109 Ų109150.5 Ų150.576%0.76278%0.784SS**  trans-13996.2169.8-60.60000110.7
20T44.9Very low42.8Very low129 Ų129148.5 Ų148.579%0.79178%0.784SS**  trans-90.6127.3166.5-480000108.1
21T50.1Low42.3Very low117 Ų117148.4 Ų148.472%0.71878%0.783SS**  trans-117.9104.9168.1-60.90000109.6
22K42.7Very low42Very low198 Ų198150.7 Ų150.786%0.86179%0.787SS**  trans-112.4128.4157.4-89.2-172.6174.6-177.20107.1
23R43.2Very low41.7Very low225 Ų225152.4 Ų152.485%0.84979%0.791SS**  trans-116.7106.4160.4-79-169.2-73.4-117.30.4106.8
24Q42Very low41.7Very low178 Ų178155.5 Ų155.583%0.83280%0.801SS**  38.9103.8106.1-71.8-155.6-1000113.4
25L35.1Very low41.6Very low168 Ų168151.2 Ų151.288%0.8880%0.802SS**  55.5102.279-76166.7000114
26S42.3Very low41.1Very low118 Ų118148.8 Ų148.883%0.82580%0.802SS**  trans-162.3116.5139.360.80000109.9
27S41.5Very low41.1Very low100 Ų100148.9 Ų148.970%0.69981%0.807SS**  trans-88.9138.4173.847.70000111.3
28F42.9Very low40.7Very low209 Ų209145.8 Ų145.892%0.91780%0.795SS**  trans-156.9130.4148.2-77.7-68.5000110
29P42.7Very low40.4Very low110 Ų110145.4 Ų145.471%0.71480%0.798SS**  trans-106.4155.5166.836.9-27000111.2
30T41.4Very low40.2Very low129 Ų129148.5 Ų148.579%0.79180%0.8SS**  trans173.6140.8137.638.40000114.3
31T38.3Very low39.8Very low129 Ų129151.1 Ų151.179%0.79180%0.803SS**  trans78.7103.9142.440.20000123
32N33.8Very low39.1Very low152 Ų152148.6 Ų148.681%0.81380%0.801SS**  3.2131.9126.1-86.6-26.7000118.1
33Q41.9Very low38.9Very low196 Ų196146.6 Ų146.692%0.91680%0.798SS**  -147.5134.4127-71.9-158.154.800110.9
34Q39.5Very low38.7Very low188 Ų188141.3 Ų141.388%0.87979%0.791SS**  trans-74.2144.7169.7-73.3163.3-35.100110.4
35S39.3Very low38.6Very low121 Ų121139 Ų13985%0.84679%0.789SS**  trans-144106.3151.258.30000109.4
36S32.6Very low38.8Very low100 Ų100135.4 Ų135.470%0.69978%0.784SS**  trans-67.1163166.447.40000113
37L36Very low38.7Very low156 Ų156135.4 Ų135.482%0.81778%0.784SS**  trans137.9133.1151.4-97.976.9000109.6
38T38.4Very low38.9Very low94 Ų94135.5 Ų135.558%0.57778%0.784SS**  cis-164.2144.78-60.40000108.7H40T38-H40 WeakPolarHBondContact CG2-NE2 3.44Å
39T34.7Very low38.9Very low128 Ų128132.7 Ų132.779%0.78578%0.779SS**  trans-82.2131.6164.7-58.10000110.1
40H41.8Very low38.8Very low174 Ų174134.4 Ų134.481%0.80678%0.781SS**  trans-131.7112.8161.8-83.3-71000111.9T38T38-H40 WeakPolarHBondContact CG2-NE2 3.44Å
41Q36.1Very low39Very low183 Ų183134.7 Ų134.786%0.85578%0.776SS**  trans-85143.7155.9-84.5-106.614.800109
42G34.1Very low39.2Very low64 Ų64136.1 Ų136.166%0.6678%0.779SS**  trans97.7149.4143.900000118.6
43I38.5Very low39.7Very low156 Ų156135.8 Ų135.880%0.878%0.776SS**  trans104.185.6151-52.5176.8000116.2
44T39.6Very low39.6Very low114 Ų114134.9 Ų134.970%0.69977%0.771SS**  54.1149.6120.664.90000124
45T41.3Very low40Very low131 Ų131133.2 Ų133.280%0.80476%0.764SS**  trans89118137.837.80000121.4
46A39.3Very low40.2Very low92 Ų92134.6 Ų134.676%0.7676%0.757SS**  trans140.1100.2130.900000110.2
47S39.9Very low40.6Very low118 Ų118138.7 Ų138.783%0.82577%0.765SS**  77.2104.671.3-62.80000114.9
48S44.3Very low40.7Very low102 Ų102139.9 Ų139.971%0.71377%0.766SS**  trans-175.2103.9139.856.60000108.6
49N43.7Very low40.6Very low150 Ų150143.1 Ų143.180%0.80278%0.78SS**  73.4135.796.2-68.4-16.9000112.8
50L39.5Very low40.8Very low145 Ų145145 Ų14576%0.75978%0.78SS**  cis-177.2163.6-7-161.872.3000105.4
51I47.2Very low40.5Very low136 Ų136142 Ų14270%0.69778%0.778SS**  trans10590.9154.3-55.6137.4000116.7I53I51-I53 HydrophobicContact CG2-CD1 4.25Å; I51-I53 HydrophobicContact CG2-CG1 3.9Å
52D41.6Very low40.7Very low159 Ų159140.7 Ų140.785%0.8578%0.776SS**  trans-67.4137.6144.2-74.2-51.7000111
53I45.2Very low40.9Very low144 Ų144142.5 Ų142.574%0.73878%0.776SS**  trans-137.7105150-61.3-178.1000108.1I51I51-I53 HydrophobicContact CG2-CD1 4.25Å; I51-I53 HydrophobicContact CG2-CG1 3.9Å
54Q39.7Very low40.7Very low177 Ų177140 Ų14083%0.82777%0.772SS**  trans-84.2139.9151.6-68.5179.65.600108.2
55Q46.9Very low40.9Very low154 Ų154144 Ų14472%0.7278%0.78SS**  trans-167.5127.3145.8-108.9171.999.700113.1
56Q43.7Very low40.7Very low150 Ų150144.8 Ų144.870%0.70178%0.779SS**  trans61.7105.5141.1-68.4165.517.700118.7
57Q41.2Very low40.8Very low185 Ų185149 Ų14986%0.86478%0.783SS**  54.9107.887-72.1-171.554.500114.3
58Q38.3Very low40.8Very low182 Ų182148.3 Ų148.385%0.8578%0.776SS**  trans-160.6104.8132.4-106.217345.300110.1
59N36.3Very low40.6Very low162 Ų162151.2 Ų151.287%0.86678%0.782SS**  trans-66.3129158.7-82.2-19.3000108.6
60Q38.4Very low40.5Very low167 Ų167150.3 Ų150.378%0.7878%0.778SS**  trans-139.6105.7147.5-72.5-157.254.400109.8
61S36.3Very low40.2Very low110 Ų110151 Ų15177%0.76978%0.782SS**  trans-68131.8161.243.60000110.9
62I40.5Very low40Very low156 Ų156149 Ų14980%0.879%0.786SS**  trans-134.6120.1155.2-57.2178.2000107.8
63P36.4Very low39.7Very low102 Ų102149.6 Ų149.666%0.66278%0.783SS**  trans-101.6168.9178.438.6-31.5000112.9
64S35.6Very low39.4Very low104 Ų104151 Ų15173%0.72779%0.791SS**  trans78.8118.1153.3-52.60000118.5
65K43.2Very low39.3Very low197 Ų197148 Ų14886%0.85778%0.784SS**  -179.7128.495.3-97.1174.1-179.4172.60111.8
66D37.5Very low38.8Very low148 Ų148147.9 Ų147.979%0.79179%0.788SS**  trans-54.5144.5162.7-54.7-66.7000112
67H41.8Very low38.6Very low180 Ų180146.8 Ų146.883%0.83379%0.787SS**  trans-161.2121.1142-105.3-68.7000109.3
68P39.4Very low38.3Very low104 Ų104147.8 Ų147.868%0.67579%0.789SS**  trans-89.5141.5171.434.5-28.5000109.9
69L40.6Very low38.3Very low163 Ų163147.4 Ų147.485%0.85379%0.79SS**  trans-131.994.9169.2-74.5175.6000110.2
70N40.7Very low38.4Very low132 Ų132148.9 Ų148.971%0.70679%0.789SS**  trans23.8119.5134.6-60.6-6.3000119.5
71D34.5Very low38.3Very low160 Ų160146.3 Ų146.386%0.85679%0.79SS**  37.1104.6117.6-55.5-20.3000118.5
72A42.3Very low38.5Very low94 Ų94146.4 Ų146.478%0.77779%0.788SS**  trans-153.5111.7139.400000109.9
73E34.8Very low38.8Very low170 Ų170145.1 Ų145.179%0.79479%0.792SS**  trans30.2118145.2-65.9-175.2133.700119.5
74I38.5Very low38.8Very low175 Ų175143.1 Ų143.190%0.89779%0.791SS**  -144.198.2113.9-81133.1000106.8
75T38.8Very low39.2Very low112 Ų112145.5 Ų145.569%0.68779%0.794SS**  trans-85.7119.1163.320.60000108.5
76L36Very low39.3Very low152 Ų152141.7 Ų141.780%0.79679%0.789SS**  trans-142.885151-152.170.2000111.1
77N40.1Very low39.7Very low128 Ų128145.1 Ų145.168%0.68479%0.791SS**  61.194.9128.4-56.9-13000120
78K34.8Very low39.5Very low206 Ų206144.7 Ų144.790%0.89679%0.794SS**  trans-2.1124.6131.8-80.7173.9175.1-179.30116.3
79I38.7Very low39.8Very low173 Ų173148.7 Ų148.789%0.88780%0.801SS**  -141.4137.7126-58.5-173.4000109.4
80K38Very low39.9Very low194 Ų194145.4 Ų145.484%0.84379%0.792SS**  trans-88140.9-166.4-175.7145.7176.9173.20112.3
81S35.5Very low39.9Very low113 Ų113146.2 Ų146.279%0.7980%0.795SS**  trans-68.3155.6174.9-440000113.1
82P40.7Very low40.2Very low112 Ų112145.3 Ų145.373%0.72779%0.79SS**  -144.1151.5122.535.3-19.6000114.8
83S46.2Very low39.9Very low128 Ų128148 Ų14890%0.89579%0.792SS**  trans70.3139.3167.979.80000116.1
84G36.4Very low40.2Very low61 Ų61143.5 Ų143.563%0.62978%0.779SS**  cis175.4135.50.800000106.4
85I45.3Very low40.2Very low154 Ų154142.8 Ų142.879%0.7978%0.775SS**  trans79102.9170.1-44.5160.8000115.8R87I85-R87 PolarHBondContact O-N 3.46Å
86P44Very low40.3Very low117 Ų117143.3 Ų143.376%0.7678%0.778SS**  trans-72.2124.3155.229.9-27.9000108.5L88P86-L88 PolarHBondContact O-N 3.31Å; P86-L88 VanDerWaalsContact O-N 3.17Å
87R46.3Very low40.4Very low220 Ų220144 Ų14483%0.8378%0.783SS**  trans-63.8115.2167.6-71.2-172.2178.7-177.90.6108.1I85 F89I85-R87 PolarHBondContact O-N 3.46Å; R87-F89 PolarHBondContact O-N 3.15Å; R87-F89 VanDerWaalsContact O-N 3.16Å
88L38.7Very low40.2Very low171 Ų171148.6 Ų148.690%0.89579%0.79SS**  trans-63.9108.7168.7-132.678.8000107.7P86 S90P86-L88 PolarHBondContact O-N 3.31Å; P86-L88 VanDerWaalsContact O-N 3.17Å; L88-S90 PolarHBondContact O-N 3.15Å
89F44Very low40.3Very low188 Ų188146.8 Ų146.883%0.82579%0.79SS**  trans-69.8113.2165-71.1-82.1000107.7R87 L91R87-F89 PolarHBondContact O-N 3.15Å; R87-F89 VanDerWaalsContact O-N 3.16Å; F89-L91 PolarHBondContact O-N 3.32Å; F89-L91 VanDerWaalsContact O-N 3.15Å
90S44.5Very low40.1Very low94 Ų94145.7 Ų145.766%0.65779%0.786SS**  trans-71.6104.3168.658.30000108.6L88 N92L88-S90 PolarHBondContact O-N 3.15Å; S90-N92 PolarHBondContact O-N 3.42Å
91L39.7Very low39.9Very low148 Ų148143.8 Ų143.878%0.77579%0.785SS**THydrogen-bonded Turntrans-70.468.1168.6-75.1161.7000110.2F89F89-L91 PolarHBondContact O-N 3.32Å; F89-L91 VanDerWaalsContact O-N 3.15Å
92N39.9Very low40Very low141 Ų141145.7 Ų145.775%0.75479%0.786SS**THydrogen-bonded Turntrans-125.80.2174.3-82.2-1.3000115S90S90-N92 PolarHBondContact O-N 3.42Å
93D37.3Very low39.8Very low152 Ų152148.2 Ų148.281%0.81379%0.793SS**SBendtrans-119.335.6-177.5-65.3-26.8000114.2
94S40.1Very low39.1Very low75 Ų75145.5 Ų145.552%0.52479%0.786SS.*SBendtrans-129.510.6-178.556.90000116.8
95I40.1Very low39.2Very low160 Ų160148.4 Ų148.482%0.82180%0.797SS**SBendtrans-95.8-12176.8-66.8178.3000113.1
96T40.5Very low38.8Very low123 Ų123151.2 Ų151.276%0.75580%0.803SS**SBendtrans-112.565.1177.856.40000111
97N38.6Very low38.4Very low166 Ų166151.1 Ų151.189%0.88881%0.805SS**SBendtrans-170.316.8160.4-95.4-18.4000114.1
98R35.4Very low37.9Very low224 Ų224147 Ų14785%0.84580%0.8SS**SBendtrans-114.528.8177.1-75.6-168.4-159.2-128.23.2114.3
99L37.4Very low37.8Very low168 Ų168146.3 Ų146.388%0.8880%0.797SS**SBendtrans-13654.1174.9-74.2170.2000110.5
100N33.6Very low37.4Very low150 Ų150143.7 Ų143.780%0.80279%0.791SS**  trans-164.488.6159.3-135.8-1.2000109.5
101N33.5Very low37.1Very low154 Ų154146 Ų14682%0.82480%0.797SS**  trans177.475.2157.7-91.3-12.9000107.1
102N37.9Very low37Very low154 Ų154145.8 Ų145.882%0.82480%0.796SS**  trans-168.290.6158.1-88.9-22000105.8
103N35.9Very low37Very low164 Ų164144.9 Ų144.988%0.87780%0.801SS**  trans16990.1142-82.5-16.6000107.7
104G32.9Very low37.3Very low72 Ų72143 Ų14374%0.74280%0.8SS**  trans-64.5131.1155.100000108.5
105S38.2Very low37.5Very low122 Ų122145.1 Ų145.185%0.85381%0.812SS**  trans-170.7120.7137.8-840000109.7
106K37Very low37.5Very low212 Ų212144.4 Ų144.492%0.92282%0.815SS**  trans-21.8130158.2-67161.4173.61720114.1
107S36Very low37.5Very low115 Ų115146.1 Ų146.180%0.80482%0.819SS**  trans-166.7121.1130.6-172.20000110.4
108N34.7Very low37.5Very low135 Ų135143.6 Ų143.672%0.72282%0.815SS**  trans-60.1152.3164.1-68-25.1000110.6
109N36Very low37.8Very low156 Ų156138.5 Ų138.583%0.83481%0.811SS**  -172.3145.8114.3-93-17000113.6
110N36.1Very low37.9Very low132 Ų132137 Ų13771%0.70681%0.809SS**  trans-80173.4-162.9-61.7-34.9000114.9
111N38.5Very low38.2Very low144 Ų144137.3 Ų137.377%0.7781%0.81SS**  trans139.6138.6134.7-67.1-21.4000110.1
112N37.4Very low38.5Very low142 Ų142135.1 Ų135.176%0.75981%0.807SS**  cis-174142.7-15-118-11.6000104.8
113S40.6Very low38.6Very low122 Ų122132.6 Ų132.685%0.85380%0.802SS**  trans-153.286.8160.4-73.40000109
114S43.9Very low38.7Very low113 Ų113133 Ų13379%0.7980%0.804SS**  trans32156.4142.9-54.90000122.6
115P44.3Very low38.9Very low119 Ų119133.1 Ų133.177%0.77381%0.805SS**  cis-137.6157-47.536.4-19.8000112.6
116T40.1Very low39Very low145 Ų145135.1 Ų135.189%0.8981%0.806SS**  trans-129.9145.8159.254.50000110.7
117N39.5Very low38.9Very low159 Ų159129.5 Ų129.585%0.8580%0.799SS**  trans-56.9136.2-164.2-62.9-49.2000116.4
118S38.3Very low38.8Very low114 Ų114130.8 Ų130.880%0.79781%0.806SS**  153.1135.4121.6-67.10000111.6
119P41.5Very low38.8Very low117 Ų117130.9 Ų130.976%0.7681%0.807SS**  trans-96.6154-170.537.1-31.9000113
120T41.3Very low38.9Very low135 Ų135130 Ų13083%0.82881%0.807SS**  trans-175.3115.5136.4240000112.3
121N38.6Very low38.9Very low157 Ų157129.6 Ų129.684%0.8481%0.805SS**  trans51.8112.4140.3-73.5-2.7000123.8
122S39.8Very low38.8Very low108 Ų108130.4 Ų130.476%0.75581%0.81SS**  108.1125.6110.1-165.40000120.5
123S40.3Very low38.8Very low101 Ų101131.2 Ų131.271%0.70681%0.814SS**  trans79.896.3143.453.90000122.2
124N37.1Very low38.5Very low174 Ų174130.9 Ų130.993%0.9381%0.807SS**  32.3129.4118.5-67.5-8.9000121.5
125G37.7Very low38.3Very low74 Ų74131.9 Ų131.976%0.76380%0.802SS**  trans168.382.1157.300000117.3
126N40.4Very low37.9Very low164 Ų164132.5 Ų132.588%0.87780%0.799SS**  trans43121.3140.4-59.2-15.8000124.3
127A35.9Very low37.5Very low94 Ų94135.8 Ų135.878%0.77780%0.796SS**  66118.5124.600000121.9
128C33.6Very low37.4Very low141 Ų141134 Ų13495%0.95379%0.792SS**  trans-159.3120.4139-78.90000109.2
129N33.7Very low37.2Very low137 Ų137135.6 Ų135.673%0.73380%0.797SS**  trans-107128.9173.4171.812.9000108.4
130T38.4Very low37Very low138 Ų138135.5 Ų135.585%0.84779%0.794SS**  trans-151.3129.9154.5-49.50000111.2
131N35.8Very low36.5Very low123 Ų123136.8 Ų136.866%0.65880%0.796SS**  trans-58.1149.1-178.4-58.3-45.7000114.6
132N37.1Very low36.5Very low162 Ų162134.6 Ų134.687%0.86679%0.789SS**  trans-164.6141.1130.1-93.1-27000112.4
133N36.3Very low36.2Very low158 Ų158137 Ų13785%0.84579%0.793SS**  trans-50.6135.8-170.9-80.5-32000116.7
134T34.6Very low36.1Very low116 Ų116140.2 Ų140.271%0.71280%0.796SS**  trans-128.8115.2153.9-59.40000108.7N136T134-N136 PolarHBondContact O-N 3Å
135I40.7Very low36Very low134 Ų134138.9 Ų138.969%0.68779%0.789SS**  trans-78.4110.1168.5-64170.9000107Y137I135-Y137 HydrophobicContact CG2-CD2 4.14Å; I135-Y137 HydrophobicContact CG2-CE2 3.8Å
136N34.6Very low36.1Very low132 Ų132143.8 Ų143.871%0.70679%0.792SS**  trans-102.2117.6166.5-80.7-21.1000108.8T134 T138T134-N136 PolarHBondContact O-N 3Å; N136-T138 PolarHBondContact O-N 3.29Å
137Y32.6Very low36Very low213 Ų213143.1 Ų143.184%0.83579%0.788SS**  trans-80.1106.7164-70.2-81.4000108.8I135I135-Y137 HydrophobicContact CG2-CD2 4.14Å; I135-Y137 HydrophobicContact CG2-CE2 3.8Å
138T37.5Very low36Very low122 Ų122143.7 Ų143.775%0.74879%0.787SS**  trans-115.8106.9161.333.80000108.7N136 T140N136-T138 PolarHBondContact O-N 3.29Å; T138-T140 PolarHBondContact O-N 3.27Å
139T33.1Very low36.2Very low147 Ų147144.3 Ų144.390%0.90278%0.777SS**  trans-74.7104.7170.1-18.30000108.2
140T37.3Very low36.4Very low116 Ų116147.4 Ų147.471%0.71278%0.78SS**  trans-108123.8165.549.70000110T138T138-T140 PolarHBondContact O-N 3.27Å
141N30.9Very low36.3Very low162 Ų162146.8 Ų146.887%0.86678%0.781SS**  trans-67.9122.2173.7-152.91.2000109.4
142T38.2Very low36.3Very low111 Ų111148 Ų14868%0.68179%0.788SS**  trans-133.2112.2166.751.60000110.1H144T142-H144 PolarHBondContact O-N 2.66Å
143N33.4Very low36.1Very low158 Ų158148 Ų14885%0.84579%0.788SS**  trans-52.4123.2158.4-75.5-52.6000109.4
144H39Very low36.2Very low169 Ų169148.3 Ų148.378%0.78279%0.788SS**  trans-132.9122.2155.8-94.756.7000109.3T142T142-H144 PolarHBondContact O-N 2.66Å
145N36.1Very low36.3Very low146 Ų146147.5 Ų147.578%0.78179%0.787SS**  trans-90.1116.2178.5-159.2-0.6000106.4
146H39.2Very low36.1Very low176 Ų176146.5 Ų146.582%0.81579%0.787SS**  trans-147.7104.7164.2-95.9-73.9000110.2
147N38.7Very low36.1Very low151 Ų151147.2 Ų147.281%0.80779%0.791SS**  trans-57.3138.8152.5-77.5-32.9000109.2
148S36.1Very low36.2Very low106 Ų106145.8 Ų145.874%0.74179%0.792SS**  154.8123.7123.1-165.90000112.5
149M37.6Very low36.2Very low153 Ų153145.7 Ų145.775%0.75480%0.796SS**  trans78.7102.9146.7-67.5-83.7117.900120.5
150Y37.8Very low36.4Very low202 Ų202145.8 Ų145.879%0.79279%0.789SS**  trans0.7126.4138.2-64.5-84.6000118.3
151S35.2Very low36.5Very low125 Ų125148.8 Ų148.887%0.87480%0.8SS**  trans-161.7110.5133.6-80.70000109.8
152N35.6Very low36.8Very low149 Ų149149.2 Ų149.280%0.79780%0.797SS**  trans-73.2134165-69.9-34.2000108.7
153N34.3Very low36.8Very low163 Ų163149 Ų14987%0.87280%0.8SS**  trans-153.7104145.3-99.2-37.1000109.4
154I38Very low36.9Very low163 Ų163149.1 Ų149.184%0.83680%0.801SS**  trans-71.5121.7161.2-71.1166.5000106.3
155S35.6Very low36.8Very low100 Ų100146.2 Ų146.270%0.69980%0.799SS**  trans-133.9104.9161.5-171.90000108.7
156T37.1Very low36.8Very low112 Ų112144.2 Ų144.269%0.68780%0.797SS**  trans-63.2126.4164.339.70000110.2
157N35.7Very low36.9Very low147 Ų147146.4 Ų146.479%0.78680%0.8SS**  trans-132.1101.4155.5-86.1-61.2000108.8
158H33Very low36.9Very low184 Ų184145.6 Ų145.685%0.85280%0.8SS**  trans-73.9124.6158.9-82-72.7000108
159S38.9Very low37.1Very low120 Ų120149.9 Ų149.984%0.83981%0.809SS**  trans-140.1135155.658.80000109.9
160I36.9Very low37.1Very low148 Ų148152.8 Ų152.876%0.75982%0.817SS**  trans-79.3135.1-167.3-66.4155.1000109.1
161L39.7Very low36.9Very low179 Ų179148 Ų14894%0.93781%0.813SS**  trans-148111.6148.6-95.7164.9000109.1
162Q36.7Very low37.1Very low171 Ų171150.8 Ų150.880%0.79981%0.812SS**  trans-79.3142.7173-71.7164.2-16.600110.3
163S38Very low37.1Very low106 Ų106149.4 Ų149.474%0.74181%0.814SS**  trans-164.9105.9138.8560000112
164N35.4Very low37.4Very low161 Ų161147.4 Ų147.486%0.86181%0.808SS**  trans55.3109.3132.9-56.2-12.2000121
165S37.7Very low37.8Very low108 Ų108145.5 Ų145.576%0.75580%0.804SS**  -162.4105.9128.1177.60000109.9
166S36.1Very low38.1Very low105 Ų105147.7 Ų147.773%0.73481%0.808SS**  trans-86.9124.9178.239.10000111.9
167Y40.7Very low37.9Very low222 Ų222150 Ų15087%0.87182%0.816SS**  trans-134.6119.6153.1-74.6-78.9000108.8
168T38.4Very low38Very low133 Ų133149.4 Ų149.482%0.81682%0.818SS**  trans-93.2132.1-178.548.50000110.8
169Q40.2Very low38.2Very low197 Ų197148.2 Ų148.292%0.92182%0.817SS**  trans-113.4122.8153.8-69.7-160.610.600108.4
170K38.5Very low38.2Very low213 Ų213147.4 Ų147.493%0.92681%0.811SS**  trans-109.7138.2175.6-117.9-175.9-175.9-174.50109.5
171S33.7Very low38.3Very low102 Ų102145.7 Ų145.771%0.71381%0.812SS**  trans-89.1169-170.7-32.30000113.1
172Q39.1Very low38.7Very low184 Ų184141.5 Ų141.586%0.8680%0.798SS**  trans93.4117.3151.1-67.3173.9-6.900119.7
173S36.2Very low39Very low120 Ų120141.1 Ų141.184%0.83980%0.801SS**  -144.2126129.874.30000110.4
174T39Very low39Very low121 Ų121139.5 Ų139.574%0.74280%0.802SS**  trans-102.3129.1176.5-52.50000108.5
175V46.5Very low39Very low123 Ų123135.8 Ų135.875%0.74580%0.802SS**  trans-152.5107.9155.7-149.60000112.5
176N41.9Very low39.3Very low146 Ų146136.7 Ų136.778%0.78181%0.808SS**  trans52.4128.8136.2-51.2-18.3000124.7
177N33Very low39.3Very low160 Ų160134.9 Ų134.986%0.85681%0.805SS**  trans-73.4149.7164.1-79.8-13000113.9
178T38.2Very low39.3Very low134 Ų134129.6 Ų129.682%0.82280%0.801SS**  trans-174.8110.4136.6210000108.2
179L37.1Very low39.6Very low160 Ų160131.4 Ų131.484%0.83880%0.8SS**  91.1145.984.3-133.484.7000114.6
180S38.6Very low39.3Very low102 Ų102132.9 Ų132.971%0.71380%0.797SS**  trans84.399.6167.166.70000117.3
181S39.5Very low39.4Very low112 Ų112128.7 Ų128.778%0.78379%0.789SS**  82.4134.583.674.50000111.4
182S48.1Very low39.8Very low92 Ų92129.3 Ų129.364%0.64379%0.794SS**  cis-179.2157.23848.60000110.7
183N43.8Very low39.9Very low162 Ų162131.8 Ų131.887%0.86680%0.795SS**  trans74.5132.4151-57.1-20.4000119.3
184G37.5Very low40.2Very low73 Ų73131.5 Ų131.575%0.75379%0.79SS**  cis164.9145.40.700000112.1
185G35.3Very low40.2Very low83 Ų83136.7 Ų136.786%0.85680%0.796SS**  trans58.7151.5153.200000119.9
186S43.2Very low39.7Very low127 Ų127135.6 Ų135.689%0.88879%0.79SS**  cis-172.5151.814.5175.60000110.9
187G37.9Very low39.9Very low66 Ų66135.2 Ų135.268%0.6879%0.787SS**  trans77.7105.5151.300000117.4
188S39.8Very low40.3Very low111 Ų111134 Ų13478%0.77678%0.78SS**  cis59.1105.945.6-152.70000114.7
189Q43.7Very low40.6Very low171 Ų171133 Ų13380%0.79977%0.774SS**  trans165.1115.3132.4-86.9177.348.600109.1
190R34.2Very low41Very low229 Ų229130.8 Ų130.886%0.86477%0.767SS**  54.6130.798.5-59.3-168.8-175.1-1253111.5
191V41.6Very low41.5Very low125 Ų125133.9 Ų133.976%0.75877%0.77SS**  177.2132.482.1168.10000109.7
192S41.9Very low42Very low115 Ų115132.9 Ų132.980%0.80476%0.761SS**  trans71.1125143.5-560000126.7
193R40.6Very low41.9Very low235 Ų235134.3 Ų134.389%0.88777%0.766SS**  trans-68.6-164.4154.9-45.8159.181.7-172.47.6110.6
194P42.1Very low41.9Very low114 Ų114132.1 Ų132.174%0.7475%0.754SS**  cis-142.3173.2-12.230.9-6.6000117.3
195R39.7Very low42.3Very low230 Ų230137.9 Ų137.987%0.86875%0.753SS**  trans32.3144.8139.5-149.9-168176.2-167.7-3.1123.7
196T35.8Very low42.9Very low101 Ų101141.2 Ų141.262%0.6275%0.746SS**  trans104.5130.3143.8-25.60000114
197I46.3Very low43.1Very low138 Ų138142.9 Ų142.971%0.70875%0.745SS**  175.7132.887.4-82.3171.1000111.1
198N41.3Very low43.4Very low133 Ų133150.5 Ų150.571%0.71175%0.754SS**  trans55.9153.6142.7-50.2-9000121.2
199T44.8Very low43.7Very low113 Ų113152.1 Ų152.169%0.69376%0.759SS**  -177.5138.153.580000112.8
200T45.5Very low43.6Very low115 Ų115152.8 Ų152.871%0.70676%0.764SS**  trans63.5141.8136.460.50000120.9
201Q48.5Very low44.2Very low166 Ų166147.3 Ų147.378%0.77676%0.761SS**  cis172.8-170.35.1-105.7-156.543.200106.6
202P50.4Low44Very low91 Ų91148 Ų14859%0.59176%0.757SS**  -137.7-173.9-50.737.6-16.8000115.7
203V46.7Very low44.1Very low122 Ų122151.2 Ų151.274%0.73975%0.752SS**  trans68.7119.9154.4-72.50000123.4
204N43.9Very low44.7Very low116 Ų116144.9 Ų144.962%0.6274%0.741SS**  179.2136.885.9-117.1-36000113.7
205R44.9Very low44.9Very low194 Ų194147 Ų14773%0.73274%0.741SS**  trans27.6146.4138.6-69.8176.9-159.4142.65.9120.6
206Q47.8Very low44.9Very low153 Ų153145.1 Ų145.172%0.71574%0.739SS**  cis-171.6137.77.4-101.8149.3-31.800104.9
207D46.7Very low45.2Very low162 Ų162145.5 Ų145.587%0.86675%0.746SS**  172.5143.9115.4-98.8-28.7000113.7
208R44.3Very low45.3Very low226 Ų226145.3 Ų145.385%0.85375%0.751SS**  trans-81.3150.6-170.4-64.4165.6173.6168.8-3.5110.5
209T47.6Very low45.2Very low146 Ų146146.6 Ų146.690%0.89676%0.758SS**  176147.610736.50000111.2
210M40.2Very low45.5Very low184 Ų184147.1 Ų147.191%0.90676%0.761SS**  trans-82.4141.6-164.7-69.6-84.4-139.400113.6
211S48.3Very low45.3Very low114 Ų114150.6 Ų150.680%0.79777%0.769SS**  trans161.4153130.664.90000108.8
212E36.4Very low45Very low141 Ų141147 Ų14766%0.65976%0.763SS**  cis-169.6151-30.7-158.5170.7157.500104.3
213Y43.9Very low44.9Very low181 Ų181150.5 Ų150.571%0.7178%0.776SS**  trans85.5114.4167.8-59.9-73.6000121.8
214P53Low44.8Very low102 Ų102150.6 Ų150.666%0.66278%0.777SS**  trans-98.6141.4169.936.5-28.7000111.3
215H46.1Very low44.7Very low158 Ų158150 Ų15073%0.73178%0.783SS**  trans-161111.1158.6-77.4-47000109.9
216K40.9Very low44.8Very low191 Ų191145.9 Ų145.983%0.8378%0.783SS**  80.9119.292.4-87.7-177.8178.2-111.40114.1
217S41.4Very low44.9Very low109 Ų109144.5 Ų144.576%0.76279%0.785SS**  trans-55.5138164.250.40000112.4
218V49.6Very low45.1Very low135 Ų135146 Ų14682%0.81878%0.784SS**  trans-153.7122.2150.4-82.10000109.6
219D39.3Very low45.2Very low159 Ų159140.4 Ų140.485%0.8578%0.78SS**  trans-52.8133.4153.8-50.6-70.8000109
220T49.4Very low45.5Very low124 Ų124139.5 Ų139.576%0.76178%0.779SS**  trans-163.2111148-57.40000108.8
221E42.3Very low46.4Very low188 Ų188136.4 Ų136.488%0.87978%0.776SS**  trans-60.5125.2160.2-60.6177.9145.400109.6
222S41Very low47.2Very low91 Ų91133.6 Ų133.664%0.63677%0.765SS**  trans154.3119147.742.80000108.1
223D48.2Very low48.9Very low164 Ų164132.6 Ų132.688%0.87777%0.77SS**  trans-17478.5139-91.3-17.8000108.9
224T45.6Very low50Low124 Ų124130 Ų13076%0.76178%0.776SS**  trans-60.6129.8152.648.40000109.5
225S41.2Very low50.9Low105 Ų105135.8 Ų135.873%0.73478%0.784SS**  trans53.988.5150.262.70000118.6
226S46.7Very low52.3Low107 Ų107134.4 Ų134.475%0.74879%0.79SS**  trans-141.494.9143.264.70000110.2
227V51.6Low53.8Low123 Ų123133.3 Ų133.375%0.74579%0.791SS**  trans-93.35.8-173.1178.60000112.3
228F49.1Very low55.4Low193 Ų193133 Ų13385%0.84679%0.789SS**  trans-141.635.5-169.3-75.9-74.3000117.4S230F228-S230 PolarHBondContact O-N 3.48Å
229S48.1Very low56.5Low109 Ų109130.8 Ų130.876%0.76278%0.779SS**  trans-87.898.6166-64.70000110.7S231S229-S231 PolarHBondContact O-N 3.25Å
230S53.9Low58.2Low127 Ų127133.6 Ų133.689%0.88878%0.784SS**  trans-85.830.6-166.471.40000116.4F228F228-S230 PolarHBondContact O-N 3.48Å
231S59Low59Low120 Ų120134.1 Ų134.184%0.83978%0.781SS**  trans-128.617.3-173.573.50000115.8S229S229-S231 PolarHBondContact O-N 3.25Å
232G64.3Low60.3Low54 Ų54127.3 Ų127.356%0.55776%0.761SS**SBendtrans-117.4148.9176.500000112.3
233P71.7Confident61.6Low120 Ų120127.3 Ų127.378%0.77976%0.761SS**PPolyproline II helixtrans-54.8137.4170.1-16.527.6000109.4R235P233-R235 PolarHBondContact O-N 2.88Å
234P68.2Low62.6Low127 Ų127125.7 Ų125.783%0.82575%0.752SS**PPolyproline II helixtrans-60.1123.5-179.923.3-31.1000109.5
235R71.7Confident63.9Low223 Ų223126.9 Ų126.984%0.84275%0.749SS**PPolyproline II helixtrans-68.7133.8175-74.7-175.2-99.5-91.34.3109.1P233 I237P233-R235 PolarHBondContact O-N 2.88Å; R235-I237 PolarHBondContact O-N 3.24Å; R235-I237 VanDerWaalsContact O-N 3.15Å
236P75.3Confident65.1Low130 Ų130128.4 Ų128.484%0.84475%0.749SS**  trans-69114.1175.627.4-31.4000109.2S238P236-S238 PolarHBondContact O-N 3.14Å
237I72.7Confident66.5Low168 Ų168126.8 Ų126.886%0.86274%0.742SS**  trans-82.7111.6172.9-60.7169.2000107R235R235-I237 PolarHBondContact O-N 3.24Å; R235-I237 VanDerWaalsContact O-N 3.15Å
238S74.2Confident68Low102 Ų102130.3 Ų130.371%0.71375%0.747SS**  trans-91.6144.3170.769.50000110.6P236 K240P236-S238 PolarHBondContact O-N 3.14Å; S238-K240 PolarHBondContact O-N 3.37Å
239S73.2Confident69.5Low88 Ų88127.9 Ų127.962%0.61574%0.738SS**  trans-65.4130.1176.655.30000110.5I241S239-I241 PolarHBondContact O-N 3.1Å
240K74.8Confident71Confident219 Ų219131.3 Ų131.395%0.95274%0.739SS**SBendtrans-72.3-2.6173.7-63.9-177.7-179.3179.50113.8S238S238-K240 PolarHBondContact O-N 3.37Å
241I66.4Low71.8Confident134 Ų134130.1 Ų130.169%0.68773%0.729SS**SBendtrans-89.8119.1-179.8-63.4171.5000107.6S239 S243S239-I241 PolarHBondContact O-N 3.1Å; I241-S243 PolarHBondContact O-N 2.92Å
242G68.3Low72.6Confident46 Ų46128.8 Ų128.847%0.47473%0.733SS.*  trans-68.355.117500000113.9L244 Q245G242-L244 PolarHBondContact O-N 3.28Å; G242-Q245 PolarHBondContact O-N 3.24Å; G242-Q245 PolarHBondContact O-OE1 3.47Å
243S69Low73.2Confident90 Ų90129.6 Ų129.663%0.62974%0.742SS**THydrogen-bonded Turntrans-68.2-15.7-171.860.80000113.8I241I241-S243 PolarHBondContact O-N 2.92Å
244L69.4Low73.1Confident131 Ų131127.2 Ų127.269%0.68674%0.739SS**THydrogen-bonded Turntrans-112.67.8-175.9-69.3167.7000113.8G242 N246 A247G242-L244 PolarHBondContact O-N 3.28Å; L244-N246 PolarHBondContact O-N 3.3Å; L244-A247 HydrophobicContact CB-CB 4.27Å; L244-A247 HydrophobicContact CD2-CB 3.7Å; L244-A247 WeakPolarHBondContact O-CB 3.33Å; L244-A247 PolarHBondContact O-N 3.19Å; L244-A247 VanDerWaalsContact O-N 3.09Å
245Q72.8Confident73.1Confident149 Ų149129.3 Ų129.370%0.69674%0.744SS**THydrogen-bonded Turntrans-52.5-30.7-179.8-111.983.4-8.800113.1G242G242-Q245 PolarHBondContact O-N 3.24Å; G242-Q245 PolarHBondContact O-OE1 3.47Å
246N66.6Low73.2Confident137 Ų137124.7 Ų124.773%0.73374%0.74SS**THydrogen-bonded Turntrans-110.55.6-177.1-69.9-18.5000114.5L244 K248 H249L244-N246 PolarHBondContact O-N 3.3Å; N246-K248 PolarHBondContact O-N 2.98Å; N246-H249 WeakPolarHBondContact O-CB 3.19Å; N246-H249 PolarHBondContact O-N 3.08Å
247A76.4Confident73.2Confident73 Ų73125.6 Ų125.660%0.60373%0.733SS**THydrogen-bonded Turntrans-64.8-15.7-176.800000113.8L244L244-A247 HydrophobicContact CB-CB 4.27Å; L244-A247 HydrophobicContact CD2-CB 3.7Å; L244-A247 WeakPolarHBondContact O-CB 3.33Å; L244-A247 PolarHBondContact O-N 3.19Å; L244-A247 VanDerWaalsContact O-N 3.09Å
248K82Confident73.3Confident196 Ų196125 Ų12585%0.85273%0.73SS**THydrogen-bonded Turntrans-94.52.3177.3-60.7-175.9-177.4-178.80113.7N246 K250N246-K248 PolarHBondContact O-N 2.98Å; K248-K250 PolarHBondContact O-N 3.27Å
249H81.4Confident73.6Confident142 Ų142127.9 Ų127.966%0.65773%0.73SS**  trans-66.6109.8179.2179.6-110.7000110.5N246N246-H249 WeakPolarHBondContact O-CB 3.19Å; N246-H249 PolarHBondContact O-N 3.08Å
250K78.9Confident73.6Confident182 Ų182130.6 Ų130.679%0.79174%0.737SS**  trans-94118.1166.5-68.2-67.7179.8-172.70107.6K248 G252K248-K250 PolarHBondContact O-N 3.27Å; K250-G252 PolarHBondContact O-N 3.2Å
251P72.3Confident73.8Confident102 Ų102128.2 Ų128.266%0.66273%0.73SS**  trans-62.7120.4176.825.9-32.4000108.9G253P251-G253 PolarHBondContact O-N 3.31Å
252G75.4Confident73.8Confident91 Ų91130.4 Ų130.494%0.93873%0.734SS**  trans-75.732.1-177.800000114.7K250K250-G252 PolarHBondContact O-N 3.2Å
253G77Confident74.1Confident72 Ų72133.9 Ų133.974%0.74275%0.746SS**  trans-105.2138.4-175.700000112.4P251P251-G253 PolarHBondContact O-N 3.31Å
254G68.8Low73.8Confident70 Ų70135.5 Ų135.572%0.72275%0.752SS**  trans145.1-8176.700000115.9V256G254-V256 PolarHBondContact O-N 3.36Å
255N68.9Low73.5Confident171 Ų171134.9 Ų134.991%0.91475%0.753SS**  trans-9222.8-175-79.110.8000115
256V72.7Confident73.1Confident126 Ų126134.3 Ų134.376%0.76476%0.755SS**  trans-112.4107.7174.6-175.30000109G254 I258G254-V256 PolarHBondContact O-N 3.36Å; V256-I258 PolarHBondContact O-N 3.38Å
257Q76.8Confident72.5Confident148 Ų148134.1 Ų134.169%0.69276%0.759SS**  trans-75.1115173.7-170.2157.53.200109F259Q257-F259 HydrophobicContact CB-CE2 4.09Å; Q257-F259 HydrophobicContact CB-CZ 4.18Å; Q257-F259 HydrophobicContact CG-CD1 4.49Å; Q257-F259 HydrophobicContact CG-CE1 4Å; Q257-F259 HydrophobicContact CG-CE2 4.03Å; Q257-F259 HydrophobicContact CG-CZ 3.75Å; Q257-F259 PolarHBondContact O-N 3.37Å
258I74.1Confident71.7Confident157 Ų157136.8 Ų136.881%0.80577%0.768SS**  trans-84.3109.7173.2-58.1177.9000107.3V256V256-I258 PolarHBondContact O-N 3.38Å
259F79.4Confident70.7Confident161 Ų161132.3 Ų132.371%0.70676%0.757SS**  trans-83.4127.3173.2-64.4-81.5000109.8Q257Q257-F259 HydrophobicContact CB-CE2 4.09Å; Q257-F259 HydrophobicContact CB-CZ 4.18Å; Q257-F259 HydrophobicContact CG-CD1 4.49Å; Q257-F259 HydrophobicContact CG-CE1 4Å; Q257-F259 HydrophobicContact CG-CE2 4.03Å; Q257-F259 HydrophobicContact CG-CZ 3.75Å; Q257-F259 PolarHBondContact O-N 3.37Å
260N73.2Confident69.7Low145 Ų145129 Ų12978%0.77576%0.762SS**  trans-101.389.6166.6176.714000108
261E79.1Confident68.9Low170 Ų170129.1 Ų129.179%0.79476%0.762SS**  trans-91.4107170.5-168.4176.517700108.6V263E261-V263 PolarHBondContact O-N 2.97Å
262K68Low68.3Low180 Ų180129.5 Ų129.578%0.78377%0.766SS**  trans-68.8113.1169.2-95.4-174.2175.1-178.60108.3T264K262-T264 PolarHBondContact O-N 3.43Å; K262-T264 VanDerWaalsContact O-N 3.16Å
263V74.3Confident67.5Low118 Ų118131.4 Ų131.472%0.71576%0.755SS**  trans-67111166.9-179.70000108.5E261 V265E261-V263 PolarHBondContact O-N 2.97Å; V263-V265 HydrophobicContact CG1-CG1 4.03Å; V263-V265 PolarHBondContact O-N 2.95Å; V263-V265 VanDerWaalsContact O-N 3.11Å
264T61.7Low66.7Low124 Ų124132.9 Ų132.976%0.76175%0.753SS**  trans-77.789170.9-34.80000108.3K262 N266K262-T264 PolarHBondContact O-N 3.43Å; K262-T264 VanDerWaalsContact O-N 3.16Å; T264-N266 PolarHBondContact O-N 3.33Å
265V63.2Low66.3Low118 Ų118136 Ų13672%0.71575%0.753SS**  trans-77.7109.5171.8-89.30000109.4V263V263-V265 HydrophobicContact CG1-CG1 4.03Å; V263-V265 PolarHBondContact O-N 2.95Å; V263-V265 VanDerWaalsContact O-N 3.11Å
266N64.5Low66.2Low137 Ų137131.2 Ų131.273%0.73374%0.737SS**  trans-57.5140.5171.8-70-6.3000110.5T264 V268T264-N266 PolarHBondContact O-N 3.33Å; N266-V268 PolarHBondContact O-N 3.12Å
267T54.5Low65.7Low133 Ų133131.1 Ų131.182%0.81673%0.732SS**  trans-22.699.9177.2-510000114.4T269T267-T269 PolarHBondContact O-N 3.26Å
268V58.6Low65.3Low129 Ų129129.8 Ų129.878%0.78273%0.734SS**  trans-76.9107.1167.3179.90000107.3N266 G270N266-V268 PolarHBondContact O-N 3.12Å; V268-G270 PolarHBondContact O-N 3.2Å
269T62.7Low65.6Low102 Ų102132 Ų13263%0.62674%0.738SS**  trans-69.9121.9167.447.90000108.6T267 K271T267-T269 PolarHBondContact O-N 3.26Å; T269-K271 PolarHBondContact O-N 3.4Å
270G59.1Low65.5Low74 Ų74130.1 Ų130.176%0.76373%0.731SS**  trans-66.299.1176.400000110.6V268 C272V268-G270 PolarHBondContact O-N 3.2Å; G270-C272 PolarHBondContact O-N 3.04Å
271K61.9Low65.7Low184 Ų184132.2 Ų132.280%0.873%0.733SS**  trans-79.667.5167.5-65.7-179.7-178.7176.70109.4T269 N273T269-K271 PolarHBondContact O-N 3.4Å; K271-N273 PolarHBondContact O-N 3.05Å; K271-N273 VanDerWaalsContact O-N 3.11Å
272C61.1Low65.4Low109 Ų109129 Ų12974%0.73673%0.727SS**  trans-79.687.7172.2-1680000109G270 S274G270-C272 PolarHBondContact O-N 3.04Å; C272-S274 PolarHBondContact O-N 3.04Å
273N57.1Low65.7Low132 Ų132124.4 Ų124.471%0.70673%0.731SS**  trans-71.275.3169.4-76.7-7.5000109.8K271 L275 A276K271-N273 PolarHBondContact O-N 3.05Å; K271-N273 VanDerWaalsContact O-N 3.11Å; N273-L275 PolarHBondContact O-N 3.23Å; N273-A276 HydrophobicContact CB-CB 4.01Å; N273-A276 PolarHBondContact O-N 2.93Å; N273-A276 VanDerWaalsContact O-N 3.13Å
274S61.6Low65.7Low102 Ų102122.4 Ų122.471%0.71373%0.734SS**THydrogen-bonded Turntrans-58.92.2-167.759.70000117.1C272C272-S274 PolarHBondContact O-N 3.04Å
275L60.6Low65.8Low137 Ų137120 Ų12072%0.71773%0.733SS**THydrogen-bonded Turntrans-138.47.9178.9-72.5162.8000114.5N273 N277 V278N273-L275 PolarHBondContact O-N 3.23Å; L275-N277 VanDerWaalsContact C-N 3.27Å; L275-N277 PolarHBondContact O-N 3.24Å; L275-V278 HydrophobicContact CD2-CG2 4.16Å; L275-V278 WeakPolarHBondContact O-CG2 3.41Å
276A65.4Low66.3Low70 Ų70122.3 Ų122.358%0.57974%0.742SS**THydrogen-bonded Turntrans-71.1-15.6-173.900000115N273N273-A276 HydrophobicContact CB-CB 4.01Å; N273-A276 PolarHBondContact O-N 2.93Å; N273-A276 VanDerWaalsContact O-N 3.13Å
277N63Low66.8Low123 Ų123123.6 Ų123.666%0.65875%0.748SS**THydrogen-bonded Turntrans-119.625.7-170.3-72.2-17.7000114.1L275 K279 H280L275-N277 VanDerWaalsContact C-N 3.27Å; L275-N277 PolarHBondContact O-N 3.24Å; N277-K279 PolarHBondContact O-N 3.4Å; N277-H280 HydrophobicContact CB-CB 3.88Å; N277-H280 VanDerWaalsContact O-CB 3.26Å; N277-H280 WeakPolarHBondContact O-CB 3.25Å; N277-H280 PolarHBondContact O-N 3.29Å
278V68.5Low67.9Low120 Ų120125.5 Ų125.573%0.72775%0.747SS**THydrogen-bonded Turntrans-60.8-19.2179.2179.30000112.7L275L275-V278 HydrophobicContact CD2-CG2 4.16Å; L275-V278 WeakPolarHBondContact O-CG2 3.41Å
279K79.6Confident68.8Low204 Ų204126.2 Ų126.289%0.88775%0.745SS**THydrogen-bonded Turntrans-103.58.8174.6-61.9-177.8-178.9178.90114N277 K281N277-K279 PolarHBondContact O-N 3.4Å; K279-K281 PolarHBondContact O-N 3.29Å; K279-K281 VanDerWaalsContact O-N 3.07Å
280H76.9Confident69.7Low122 Ų122127.5 Ų127.557%0.56575%0.747SS**  trans-71.2105.9179.8179.1-110.3000110.2N277 P282N277-H280 HydrophobicContact CB-CB 3.88Å; N277-H280 VanDerWaalsContact O-CB 3.26Å; N277-H280 WeakPolarHBondContact O-CB 3.25Å; N277-H280 PolarHBondContact O-N 3.29Å; H280-P282 WeakPolarHBondContact O-CD 3.24Å
281K77.7Confident70.7Confident188 Ų188131.2 Ų131.282%0.81775%0.75SS**  trans-85.4112.8158.9-65.2-152.2176-1610107.2K279 G283K279-K281 PolarHBondContact O-N 3.29Å; K279-K281 VanDerWaalsContact O-N 3.07Å; K281-G283 PolarHBondContact O-N 3.38Å
282P73.5Confident71.7Confident103 Ų103129.6 Ų129.667%0.66975%0.745SS**  trans-62.8106.7175.625.7-32000108.5H280 G284H280-P282 WeakPolarHBondContact O-CD 3.24Å; P282-G284 PolarHBondContact O-N 3.14Å
283G75.1Confident72.7Confident84 Ų84134.3 Ų134.387%0.86675%0.753SS**  trans-71.3112.2166.800000108.2K281K281-G283 PolarHBondContact O-N 3.38Å
284G74.2Confident73.8Confident76 Ų76133.5 Ų133.578%0.78475%0.748SS**  trans-158.1138.1175.300000110.8P282P282-G284 PolarHBondContact O-N 3.14Å
285G63.7Low74.7Confident72 Ų72134.4 Ų134.474%0.74275%0.745SS**  trans125.35.9162.600000118.9L287G285-L287 PolarHBondContact O-N 2.94Å
286N72.4Confident75.4Confident168 Ų168134.6 Ų134.690%0.89874%0.74SS**  trans-94.550.6179.3-69.76.6000113.2
287L74.7Confident75.7Confident164 Ų164135.9 Ų135.986%0.85975%0.745SS**  trans-93.597.6164.8-70.1178.1000108.5G285 I289G285-L287 PolarHBondContact O-N 2.94Å; L287-I289 PolarHBondContact O-N 3.43Å
288Q77.4Confident75.9Confident172 Ų172135 Ų13580%0.80475%0.748SS**  trans-70.8109.5166.1-171.1171.733.800107.8I290Q288-I290 HydrophobicContact CG-CG1 4.41Å; Q288-I290 PolarHBondContact O-N 3.45Å
289I77.9Confident75.8Confident144 Ų144136.3 Ų136.374%0.73875%0.751SS**  trans-75.1109.4169.3-60.3174.4000106.3L287L287-I289 PolarHBondContact O-N 3.43Å
290I82.7Confident74.9Confident130 Ų130131.5 Ų131.567%0.66774%0.739SS**  trans-85.9113171.7-60172.3000107Q288 Q292Q288-I290 HydrophobicContact CG-CG1 4.41Å; Q288-I290 PolarHBondContact O-N 3.45Å; I290-Q292 VanDerWaalsContact C-N 3.26Å; I290-Q292 PolarHBondContact O-N 3.32Å
291D79.5Confident74.5Confident152 Ų152133.3 Ų133.381%0.81375%0.748SS**  trans-76.179.5171.8-73.6-24.6000110K293D291-K293 PolarHBondContact O-N 3.42Å
292Q83.5Confident74Confident149 Ų149129.2 Ų129.270%0.69674%0.743SS**  trans-82.6106.4169.4-173.7175.1-24.100109.2I290 L294I290-Q292 VanDerWaalsContact C-N 3.26Å; I290-Q292 PolarHBondContact O-N 3.32Å; Q292-L294 PolarHBondContact O-N 3.39Å
293K80.9Confident73.8Confident208 Ų208134.1 Ų134.190%0.90475%0.754SS**  trans-60.2107.8171.1-82.4-177.9170.6-178.90110D291D291-K293 PolarHBondContact O-N 3.42Å
294L80.9Confident73.4Confident116 Ų116135.3 Ų135.361%0.60774%0.744SS**  trans-87.6118167.7-78.2152.1000108.8Q292 F296Q292-L294 PolarHBondContact O-N 3.39Å; L294-F296 HydrophobicContact CB-CD2 4.39Å; L294-F296 HydrophobicContact CB-CE1 4.19Å; L294-F296 HydrophobicContact CB-CE2 3.62Å; L294-F296 HydrophobicContact CB-CZ 3.51Å; L294-F296 HydrophobicContact CD1-CZ 4.05Å; L294-F296 HydrophobicContact CG-CZ 4.23Å
295D79.7Confident72.7Confident120 Ų120141.5 Ų141.564%0.64274%0.743SS**  trans-88115172.4-174.910.4000109.8S297D295-S297 WeakPolarHBondContact OD1-CB 3.23Å; D295-S297 PolarHBondContact OD1-N 3.34Å; D295-S297 PolarHBondContact OD1-OG 3.26Å
296F75.4Confident72.7Confident142 Ų142141.8 Ų141.862%0.62373%0.734SS**  trans-101.110.2177.8-59.4-70.2000112.9L294 S298 T300L294-F296 HydrophobicContact CB-CD2 4.39Å; L294-F296 HydrophobicContact CB-CE1 4.19Å; L294-F296 HydrophobicContact CB-CE2 3.62Å; L294-F296 HydrophobicContact CB-CZ 3.51Å; L294-F296 HydrophobicContact CD1-CZ 4.05Å; L294-F296 HydrophobicContact CG-CZ 4.23Å; F296-S298 VanDerWaalsContact C-N 3.34Å; F296-S298 PolarHBondContact O-N 3.15Å; F296-T300 PolarHBondContact O-OG1 3.45Å
297S71.7Confident72.2Confident96 Ų96141 Ų14167%0.67172%0.723SS**SBendtrans-69.1-28.3-171.9-54.10000113.7D295D295-S297 WeakPolarHBondContact OD1-CB 3.23Å; D295-S297 PolarHBondContact OD1-N 3.34Å; D295-S297 PolarHBondContact OD1-OG 3.26Å
298S68.6Low71.7Confident105 Ų105140 Ų14073%0.73471%0.714SS**SBendtrans-83-24.8-170590000115.1F296F296-S298 VanDerWaalsContact C-N 3.34Å; F296-S298 PolarHBondContact O-N 3.15Å
299N65.1Low71Confident148 Ų148138.3 Ų138.379%0.79171%0.71SS**SBendtrans-120.710.3-172.5-151.752.3000114.1Q301N299-Q301 PolarHBondContact O-N 3.46Å
300T61.2Low70.6Confident103 Ų103137.3 Ų137.363%0.63271%0.705SS**  trans-90.2101.2178.1-600000109.9F296F296-T300 PolarHBondContact O-OG1 3.45Å
301Q68.7Low70.2Confident160 Ų160140.3 Ų140.375%0.74871%0.714SS**  trans-108.6119.6174.9-65.5-67.6-31.400109.7N299 K303N299-Q301 PolarHBondContact O-N 3.46Å; Q301-K303 PolarHBondContact O-N 3.17Å
302S68.2Low70.2Confident102 Ų102139.8 Ų139.871%0.71371%0.706SS**  trans-70.8120.2174.256.50000110.4V304S302-V304 PolarHBondContact O-N 3.24Å
303K69Low69.9Low206 Ų206139.8 Ų139.890%0.89671%0.709SS**  trans-74.70176.5-66.4-179.6-179.9175.90114Q301 R305Q301-K303 PolarHBondContact O-N 3.17Å; K303-R305 PolarHBondContact O-N 3.21Å
304V66.2Low69.7Low108 Ų108134.6 Ų134.666%0.65570%0.697SS**  trans-83102.9-176.1-174.50000109S302 S306S302-V304 PolarHBondContact O-N 3.24Å; V304-S306 PolarHBondContact O-N 3.07Å
305R59.8Low69.5Low206 Ų206132.9 Ų132.978%0.77771%0.707SS**  trans-72.155.6171.2-66.7178.6170.2162.5-3.3111.6K303 F307K303-R305 PolarHBondContact O-N 3.21Å; R305-F307 PolarHBondContact O-N 2.78Å
306S62.6Low69.5Low78 Ų78130.2 Ų130.255%0.54571%0.708SS.*THydrogen-bonded Turntrans-68.4-2.4-175.357.30000114.6V304V304-S306 PolarHBondContact O-N 3.07Å
307F62Low69.3Low152 Ų152127.1 Ų127.167%0.66772%0.716SS**THydrogen-bonded Turntrans-98.21.8-174.5-59.8-52.2000115.3R305 N309 I310R305-F307 PolarHBondContact O-N 2.78Å; F307-N309 PolarHBondContact O-N 3.44Å; F307-N309 VanDerWaalsContact O-N 3.11Å; F307-I310 HydrophobicContact CD1-CD1 3.29Å; F307-I310 HydrophobicContact CD1-CG1 4.04Å; F307-I310 HydrophobicContact CE1-CD1 3.74Å; F307-I310 HydrophobicContact CG-CD1 4.39Å; F307-I310 PolarHBondContact O-N 3.44Å
308Q65.2Low69.5Low143 Ų143129.6 Ų129.667%0.66872%0.722SS**THydrogen-bonded Turntrans-60.2-25-177.4-128.792.918.400113.4
309N61.4Low69.7Low136 Ų136134.3 Ų134.373%0.72773%0.729SS**THydrogen-bonded Turntrans-113.34.8-175-67.5-12.3000114.7F307 K311 H312F307-N309 PolarHBondContact O-N 3.44Å; F307-N309 VanDerWaalsContact O-N 3.11Å; N309-K311 PolarHBondContact O-N 3.12Å; N309-H312 PolarHBondContact O-N 2.92Å
310I69.6Low70.2Confident124 Ų124136.5 Ų136.564%0.63673%0.732SS**THydrogen-bonded Turntrans-63.7-25.1-178.9-80.7-161.1000113F307 H312F307-I310 HydrophobicContact CD1-CD1 3.29Å; F307-I310 HydrophobicContact CD1-CG1 4.04Å; F307-I310 HydrophobicContact CE1-CD1 3.74Å; F307-I310 HydrophobicContact CG-CD1 4.39Å; F307-I310 PolarHBondContact O-N 3.44Å; I310-H312 VanDerWaalsContact C-N 3.32Å; I310-H312 PolarHBondContact O-N 3.19Å
311K75.7Confident71Confident193 Ų193138.8 Ų138.884%0.83974%0.739SS**THydrogen-bonded Turntrans-86.84.7-179.8-66.5-174.1178.7-175.10114N309 I313N309-K311 PolarHBondContact O-N 3.12Å; K311-I313 PolarHBondContact O-N 3.09Å; K311-I313 VanDerWaalsContact O-N 3.16Å
312H79.7Confident71.3Confident140 Ų140136.7 Ų136.765%0.64874%0.739SS**  trans-75.3106.4177.6178.2-100.3000110.5N309 I310N309-H312 PolarHBondContact O-N 2.92Å; I310-H312 VanDerWaalsContact C-N 3.32Å; I310-H312 PolarHBondContact O-N 3.19Å
313I77.2Confident71.5Confident149 Ų149139.1 Ų139.176%0.76474%0.742SS**  trans-95.1114.2166.3-58.1173.9000106K311 G315K311-I313 PolarHBondContact O-N 3.09Å; K311-I313 VanDerWaalsContact O-N 3.16Å; I313-G315 PolarHBondContact O-N 3.16Å; I313-G315 VanDerWaalsContact O-N 3.12Å
314P74.7Confident71.9Confident99 Ų99136.9 Ų136.964%0.64374%0.735SS**  trans-63.7116.1177.625.2-31.5000109.2
315G77.3Confident72.1Confident81 Ų81140.4 Ų140.484%0.83574%0.741SS**  trans-69.9131.5173.900000110.9I313I313-G315 PolarHBondContact O-N 3.16Å; I313-G315 VanDerWaalsContact O-N 3.12Å
316G80.2Confident72.7Confident63 Ų63135.7 Ų135.765%0.64973%0.731SS**  trans171.4150.4177.700000112.1
317G71.9Confident72.9Confident78 Ų78138.8 Ų138.880%0.80474%0.742SS**  trans104.1-2179.500000115.6K319G317-K319 PolarHBondContact O-N 3.01Å
318D74.9Confident73.3Confident148 Ų148137.7 Ų137.779%0.79174%0.737SS**  trans-75-8-176.1-57.1-36.9000114.4K320D318-K320 PolarHBondContact O-N 3.06Å
319K73.9Confident73.5Confident203 Ų203140.7 Ų140.788%0.88375%0.747SS**  trans-80.593177.8-65.8-169.2-171.7-172.40110.2G317G317-K319 PolarHBondContact O-N 3.01Å
320K74.9Confident73.7Confident195 Ų195143.3 Ų143.385%0.84876%0.755SS**  trans-75123.3164.6-70-177.6178.5-179.60109.3D318 P322D318-K320 PolarHBondContact O-N 3.06Å; K320-P322 WeakPolarHBondContact O-CD 3.43Å
321I78.2Confident73.5Confident151 Ų151146.7 Ų146.777%0.77477%0.765SS**  trans-82.9115.8169.5-59.8173.2000107I323I321-I323 PolarHBondContact O-N 3.05Å
322P74.4Confident73Confident115 Ų115140.5 Ų140.575%0.74775%0.75SS**  trans-68.1123.3172.627.5-31.1000109.4K320 E324K320-P322 WeakPolarHBondContact O-CD 3.43Å; P322-E324 PolarHBondContact O-N 3.07Å
323I72.1Confident72.3Confident154 Ų154138.2 Ų138.279%0.7975%0.75SS**  trans-91.895168.2-65.6165.1000106.4I321I321-I323 PolarHBondContact O-N 3.05Å
324E76.8Confident72Confident158 Ų158136.7 Ų136.774%0.73875%0.75SS**  trans-87.9112.4168.9-157.7171.7-159.400107.5P322 L326P322-E324 PolarHBondContact O-N 3.07Å; E324-L326 PolarHBondContact O-N 3.49Å
325K70.5Confident71.7Confident183 Ų183142.1 Ų142.180%0.79676%0.763SS**  trans-69.296.4175-74-177.9179178.70108D327K325-D327 PolarHBondContact O-N 3.38Å
326L72.3Confident71.2Confident106 Ų106144 Ų14456%0.55576%0.758SS**  trans-82.9106.8173.4-79.4150.3000109.3E324 F328E324-L326 PolarHBondContact O-N 3.49Å; L326-F328 HydrophobicContact CB-CD2 4.04Å; L326-F328 HydrophobicContact CB-CE1 4.05Å; L326-F328 HydrophobicContact CB-CE2 3.38Å; L326-F328 HydrophobicContact CB-CZ 3.39Å; L326-F328 HydrophobicContact CD1-CE2 4.43Å; L326-F328 HydrophobicContact CD1-CZ 3.85Å; L326-F328 HydrophobicContact CD2-CE1 4.4Å; L326-F328 HydrophobicContact CD2-CZ 4.3Å; L326-F328 HydrophobicContact CG-CE2 4.45Å; L326-F328 HydrophobicContact CG-CZ 4.04Å; L326-F328 VanDerWaalsContact O-CD2 3.23Å; L326-F328 WeakPolarHBondContact O-CD2 3.37Å; L326-F328 PolarHBondContact O-N 3.18Å; L326-F328 VanDerWaalsContact O-N 3.14Å
327D68Low70.4Confident144 Ų144144 Ų14477%0.7776%0.759SS**  trans-80.288.9174.3-73.1-36.2000110.2K325 K329K325-D327 PolarHBondContact O-N 3.38Å; D327-K329 PolarHBondContact O-N 3.18Å
328F70Confident70.1Confident128 Ų128145.4 Ų145.456%0.56176%0.757SS**THydrogen-bonded Turntrans-75.9-3-179.2-63.8-72.3000114.5L326 E330 K331 A332L326-F328 HydrophobicContact CB-CD2 4.04Å; L326-F328 HydrophobicContact CB-CE1 4.05Å; L326-F328 HydrophobicContact CB-CE2 3.38Å; L326-F328 HydrophobicContact CB-CZ 3.39Å; L326-F328 HydrophobicContact CD1-CE2 4.43Å; L326-F328 HydrophobicContact CD1-CZ 3.85Å; L326-F328 HydrophobicContact CD2-CE1 4.4Å; L326-F328 HydrophobicContact CD2-CZ 4.3Å; L326-F328 HydrophobicContact CG-CE2 4.45Å; L326-F328 HydrophobicContact CG-CZ 4.04Å; L326-F328 VanDerWaalsContact O-CD2 3.23Å; L326-F328 WeakPolarHBondContact O-CD2 3.37Å; L326-F328 PolarHBondContact O-N 3.18Å; L326-F328 VanDerWaalsContact O-N 3.14Å; F328-E330 VanDerWaalsContact C-N 3.34Å; F328-E330 PolarHBondContact O-N 3.2Å; F328-K331 PolarHBondContact O-N 3.39Å; F328-A332 HydrophobicContact CB-CB 4.02Å; F328-A332 VanDerWaalsContact O-CB 3.24Å; F328-A332 WeakPolarHBondContact O-CB 3.49Å; F328-A332 PolarHBondContact O-N 2.96Å
329K69Low69.8Low206 Ų206144.5 Ų144.590%0.89675%0.751SS**THydrogen-bonded Turntrans-62.7-33.1-172.2-83.4-168.5172.1-173.90114.6D327D327-K329 PolarHBondContact O-N 3.18Å
330E66.6Low69.5Low192 Ų192139 Ų13990%0.89774%0.744SS**THydrogen-bonded Turntrans-92.2-23.8-179.3-67.2-161166.900113.9F328F328-E330 VanDerWaalsContact C-N 3.34Å; F328-E330 PolarHBondContact O-N 3.2Å
331K64.2Low69Low194 Ų194136.4 Ų136.484%0.84374%0.739SS**THydrogen-bonded Turntrans-102.6-21.6-173.9-68.6-91.1-178.6173.70113.6F328F328-K331 PolarHBondContact O-N 3.39Å
332A66Low68.6Low63 Ų63134.3 Ų134.352%0.52173%0.733SS.*  trans-108.777.4-176.600000111.2F328F328-A332 HydrophobicContact CB-CB 4.02Å; F328-A332 VanDerWaalsContact O-CB 3.24Å; F328-A332 WeakPolarHBondContact O-CB 3.49Å; F328-A332 PolarHBondContact O-N 2.96Å
333S65.6Low68.7Low93 Ų93138.2 Ų138.265%0.6574%0.738SS**  trans-92.1130.9165.542.10000109.8K335S333-K335 PolarHBondContact O-N 3.03Å
334P69.6Low69.1Low117 Ų117137.7 Ų137.776%0.7673%0.732SS**  trans-63.7123.7173.826.1-32.1000109V336P334-V336 PolarHBondContact O-N 3.11Å
335K68.3Low69Low212 Ų212136.9 Ų136.992%0.92273%0.733SS**SBendtrans-73.3-1.8175.7-68.3-178.7174.2178.40113.4S333S333-K335 PolarHBondContact O-N 3.03Å
336V67.3Low69.3Low120 Ų120132.9 Ų132.973%0.72773%0.725SS**  trans-96.8100.1-177.5-174.90000108.5P334 S338P334-V336 PolarHBondContact O-N 3.11Å; V336-S338 PolarHBondContact O-N 3.25Å
337G63Low69.3Low65 Ų65133.2 Ų133.267%0.6774%0.743SS**  trans-73.787.9174.600000111.1L339G337-L339 PolarHBondContact O-N 2.88Å
338S66.4Low69.8Low107 Ų107129.4 Ų129.475%0.74874%0.738SS**THydrogen-bonded Turntrans-690.8-177.355.60000115.1V336V336-S338 PolarHBondContact O-N 3.25Å
339L68.7Low69.8Low128 Ų128126.7 Ų126.767%0.6775%0.746SS**THydrogen-bonded Turntrans-124.55.2-169.8-68.3165.4000114.7G337 N341 V342G337-L339 PolarHBondContact O-N 2.88Å; L339-N341 PolarHBondContact O-N 3.24Å; L339-V342 HydrophobicContact CB-CG2 4.42Å; L339-V342 HydrophobicContact CD2-CG2 3.66Å; L339-V342 PolarHBondContact O-N 2.89Å
340A66.6Low69.9Low89 Ų89124.3 Ų124.374%0.73674%0.743SS**THydrogen-bonded Turntrans-59.9-22-174.200000114.3
341N64.5Low70.2Confident139 Ų139121.4 Ų121.474%0.74374%0.738SS**THydrogen-bonded Turntrans-116.18.5-172.9-66.1-13000114.9L339 K343 H344L339-N341 PolarHBondContact O-N 3.24Å; N341-K343 PolarHBondContact O-N 3.39Å; N341-H344 PolarHBondContact O-N 3.11Å
342V71.4Confident70.7Confident107 Ų107119.7 Ų119.765%0.64873%0.731SS**THydrogen-bonded Turntrans-68-18.6-176.8177.80000112.9L339L339-V342 HydrophobicContact CB-CG2 4.42Å; L339-V342 HydrophobicContact CD2-CG2 3.66Å; L339-V342 PolarHBondContact O-N 2.89Å
343K76.6Confident71.3Confident197 Ų197123.6 Ų123.686%0.85774%0.742SS**THydrogen-bonded Turntrans-9512.1179.2-61.7-173.5-180-177.60114N341 N345N341-K343 PolarHBondContact O-N 3.39Å; K343-N345 PolarHBondContact O-N 3.16Å; K343-N345 VanDerWaalsContact O-N 3.12Å
344H78.9Confident71.8Confident144 Ų144127 Ų12767%0.66775%0.745SS**  trans-75.8102.5176.4-176.463.9000110.4N341N341-H344 PolarHBondContact O-N 3.11Å
345N75.4Confident72Confident140 Ų140128.9 Ų128.975%0.74975%0.749SS**  trans-89.1126.7164.9-68.3-31.6000108.4K343 A347K343-N345 PolarHBondContact O-N 3.16Å; K343-N345 VanDerWaalsContact O-N 3.12Å; N345-A347 PolarHBondContact O-N 3.2Å
346P77.7Confident72.3Confident99 Ų99127 Ų12764%0.64374%0.743SS**  trans-63128.2176.625.8-32.6000109.6G348P346-G348 PolarHBondContact O-N 3.46Å
347A71.3Confident72.5Confident113 Ų113128.7 Ų128.793%0.93474%0.743SS**SBendtrans-75.327-18000000113.5N345N345-A347 PolarHBondContact O-N 3.2Å
348G78.4Confident73Confident64 Ų64129.8 Ų129.866%0.6673%0.733SS**  trans-131.7135.2-172.900000111.7P346P346-G348 PolarHBondContact O-N 3.46Å
349G70.4Confident73Confident71 Ų71129.6 Ų129.673%0.73273%0.729SS**  trans141.7-12.4-179.500000114.7V351G349-V351 PolarHBondContact O-N 3.4Å
350D71.5Confident73Confident156 Ų156130.4 Ų130.483%0.83472%0.723SS**  trans-87.45.1-173.9-66.8-30.9000115.1K352D350-K352 PolarHBondContact O-N 3.37Å
351V72.1Confident72.8Confident131 Ų131130.4 Ų130.479%0.79471%0.711SS**  trans-7889.5173.5-174.40000109.1G349 I353G349-V351 PolarHBondContact O-N 3.4Å; V351-I353 HydrophobicContact CG1-CG1 4.47Å; V351-I353 PolarHBondContact O-N 2.8Å
352K75.5Confident72.6Confident158 Ų158130.8 Ų130.869%0.68771%0.705SS**  trans-76.2108.9167-71179.1-178.6175.20109.1D350 F354D350-K352 PolarHBondContact O-N 3.37Å; K352-F354 HydrophobicContact CB-CD2 4.2Å; K352-F354 HydrophobicContact CB-CE1 4.49Å; K352-F354 HydrophobicContact CB-CE2 3.58Å; K352-F354 HydrophobicContact CB-CZ 3.76Å; K352-F354 HydrophobicContact CD-CE2 4.43Å; K352-F354 HydrophobicContact CD-CZ 3.84Å; K352-F354 HydrophobicContact CG-CZ 4.44Å; K352-F354 WeakPolarHBondContact O-CD2 3.4Å; K352-F354 PolarHBondContact O-N 2.9Å
353I77.7Confident72Confident145 Ų145134.8 Ų134.874%0.74471%0.71SS**  trans-78.1109.7166.1-59.7173.4000106.9V351V351-I353 HydrophobicContact CG1-CG1 4.47Å; V351-I353 PolarHBondContact O-N 2.8Å
354F75.6Confident71.1Confident166 Ų166130.2 Ų130.273%0.72870%0.695SS**  trans-88.4121.8172.9-64.7-83.6000109.3K352 E356K352-F354 HydrophobicContact CB-CD2 4.2Å; K352-F354 HydrophobicContact CB-CE1 4.49Å; K352-F354 HydrophobicContact CB-CE2 3.58Å; K352-F354 HydrophobicContact CB-CZ 3.76Å; K352-F354 HydrophobicContact CD-CE2 4.43Å; K352-F354 HydrophobicContact CD-CZ 3.84Å; K352-F354 HydrophobicContact CG-CZ 4.44Å; K352-F354 WeakPolarHBondContact O-CD2 3.4Å; K352-F354 PolarHBondContact O-N 2.9Å; F354-E356 PolarHBondContact O-N 3.11Å
355N75.3Confident70.2Confident156 Ų156130.2 Ų130.283%0.83469%0.693SS**  trans-87.688168.5-75.8-18.5000108.7H357N355-H357 PolarHBondContact O-N 3.15Å
356E74.2Confident69.6Low173 Ų173129.2 Ų129.281%0.80869%0.694SS**  trans-80101163.1-85.6-170.2160.400109.2F354 L358F354-E356 PolarHBondContact O-N 3.11Å; E356-L358 PolarHBondContact O-N 3.28Å
357H70.8Confident69Low155 Ų155131.9 Ų131.972%0.71870%0.703SS**  trans-74.6104.9173.1-179.9-82.8000109.8N355 P359N355-H357 PolarHBondContact O-N 3.15Å; H357-P359 VanDerWaalsContact O-CD 3.25Å; H357-P359 WeakPolarHBondContact O-CD 3.44Å
358L74.6Confident68.7Low87 Ų87128.8 Ų128.846%0.45567%0.671SS.*  trans-65.6114.5177.4-68.2169.3000111E356 W360 L361E356-L358 PolarHBondContact O-N 3.28Å; L358-W360 HydrophobicContact CD1-CZ2 4.1Å; L358-W360 PolarHBondContact O-N 2.97Å; L358-W360 VanDerWaalsContact O-N 3.08Å; L358-L361 PolarHBondContact O-N 3.03Å
359P66.8Low68.5Low103 Ų103129.7 Ų129.767%0.66967%0.665SS**G310 helixtrans-62.6-20.4-172.2-23.633.4000115.4H357H357-P359 VanDerWaalsContact O-CD 3.25Å; H357-P359 WeakPolarHBondContact O-CD 3.44Å
360W67Low68.5Low146 Ų146131.6 Ų131.655%0.55366%0.659SS**G310 helixtrans-86.7-15.1-176.559.6-92.7000113.9L358 K362 Y363 N364L358-W360 HydrophobicContact CD1-CZ2 4.1Å; L358-W360 PolarHBondContact O-N 2.97Å; L358-W360 VanDerWaalsContact O-N 3.08Å; W360-K362 PolarHBondContact O-N 3.05Å; W360-Y363 PolarHBondContact O-N 3.34Å; W360-N364 HydrophobicContact CE3-CB 4.36Å; W360-N364 HydrophobicContact CZ3-CB 4.39Å; W360-N364 PolarHBondContact O-N 3.29Å
361L62.6Low68.6Low89 Ų89127.6 Ų127.647%0.46664%0.643SS.*G310 helixtrans-69.2-10.3172.4-110.983000112.9L358 Y363L358-L361 PolarHBondContact O-N 3.03Å; L361-Y363 PolarHBondContact O-N 3.28Å
362K60.1Low68.4Low146 Ų146124.8 Ų124.864%0.63562%0.621SS**G310 helixtrans-61.4-25.7173.7-162.6175-176.7-176.20112.3W360W360-K362 PolarHBondContact O-N 3.05Å
363Y58.9Low68Low191 Ų191121.7 Ų121.775%0.74961%0.607SS**THydrogen-bonded Turntrans-117.1-13.2-177.5-56.6-69.1000114W360 L361W360-Y363 PolarHBondContact O-N 3.34Å; L361-Y363 PolarHBondContact O-N 3.28Å
364N58.9Low67.5Low101 Ų101119.9 Ų119.954%0.5460%0.599SS.*  trans-104.176.3172.6-84.4-5.4000110.6W360 P366W360-N364 HydrophobicContact CE3-CB 4.36Å; W360-N364 HydrophobicContact CZ3-CB 4.39Å; W360-N364 PolarHBondContact O-N 3.29Å; N364-P366 WeakPolarHBondContact O-CD 3.5Å
365K59.2Low67.4Low145 Ų145119.6 Ų119.663%0.6359%0.593SS**  trans-91.2103.7162.5-72.9-171.5178.5-1760108.1N367 L368K365-N367 PolarHBondContact O-N 3.23Å; K365-L368 HydrophobicContact CB-CD1 3.73Å; K365-L368 HydrophobicContact CD-CD1 4.03Å; K365-L368 HydrophobicContact CG-CD1 4.44Å; K365-L368 PolarHBondContact O-N 3.25Å
366P63.7Low67Low118 Ų118117.2 Ų117.277%0.76658%0.58SS**THydrogen-bonded Turntrans-62.5-9.8-178.521.8-31.5000114.2N364N364-P366 WeakPolarHBondContact O-CD 3.5Å
367N63.7Low66.5Low155 Ų155114.9 Ų114.983%0.82957%0.572SS**THydrogen-bonded Turntrans-11331.8-179.7-65.1-22.4000113.6K365K365-N367 PolarHBondContact O-N 3.23Å
368L66.5Low66.2Low48 Ų48116.5 Ų116.525%0.25158%0.577SS.*  trans-73126.9171.6-128.177.8000109.9K365 E372 K373 I376K365-L368 HydrophobicContact CB-CD1 3.73Å; K365-L368 HydrophobicContact CD-CD1 4.03Å; K365-L368 HydrophobicContact CG-CD1 4.44Å; K365-L368 PolarHBondContact O-N 3.25Å; L368-E372 HydrophobicContact CD2-CB 3.72Å; L368-E372 HydrophobicContact CD2-CG 3.57Å; L368-E372 HydrophobicContact CG-CB 3.99Å; L368-E372 HydrophobicContact CG-CG 4.08Å; L368-K373 HydrophobicContact CB-CG 4.39Å; L368-K373 WeakPolarHBondContact O-CE 3.12Å; L368-I376 HydrophobicContact CD2-CD1 3.89Å
369P72.5Confident65.3Low83 Ų83123.1 Ų123.154%0.53960%0.597SS.*  trans-54.9145173.3-2130.7000110.8S371 E372 K373P369-S371 PolarHBondContact O-N 3.39Å; P369-S371 VanDerWaalsContact O-N 3.1Å; P369-E372 PolarHBondContact O-N 3.02Å; P369-K373 PolarHBondContact O-N 3.07Å
370D71.4Confident64.8Low112 Ų112123 Ų12360%0.59960%0.598SS**Hα-helixtrans-58.3-30.1-176-63.3-34.4000112.6E372 K373 D374D370-E372 PolarHBondContact O-N 2.59Å; D370-K373 PolarHBondContact O-N 2.94Å; D370-K373 IonicContact OD1-NZ 2.92Å; D370-K373 PolarHBondContact OD1-NZ 2.95Å; D370-D374 PolarHBondContact O-N 3.3Å; D370-D374 VanDerWaalsContact O-N 3.14Å
371S72.4Confident64.2Low72 Ų72123.3 Ų123.350%0.50361%0.611SS.*Hα-helixtrans-61-27.4173.458.80000114.5P369P369-S371 PolarHBondContact O-N 3.39Å; P369-S371 VanDerWaalsContact O-N 3.1Å
372E68.6Low63.7Low71 Ų71125.9 Ų125.933%0.33263%0.625SS.*Hα-helixtrans-87.8-32.8178.1-159.165.3-161.300111.6L368 P369 D370 D374 R375 I376L368-E372 HydrophobicContact CD2-CB 3.72Å; L368-E372 HydrophobicContact CD2-CG 3.57Å; L368-E372 HydrophobicContact CG-CB 3.99Å; L368-E372 HydrophobicContact CG-CG 4.08Å; P369-E372 PolarHBondContact O-N 3.02Å; D370-E372 PolarHBondContact O-N 2.59Å; E372-D374 VanDerWaalsContact C-N 3.32Å; E372-D374 PolarHBondContact O-N 2.96Å; E372-R375 PolarHBondContact O-N 3.38Å; E372-R375 IonicContact OE2-CZ 3.18Å; E372-R375 IonicContact OE2-NE 3Å; E372-R375 PolarHBondContact OE2-NE 2.92Å; E372-R375 IonicContact OE2-NH2 2.66Å; E372-R375 PolarHBondContact OE2-NH2 3.05Å; E372-I376 WeakPolarHBondContact O-CG1 3.26Å; E372-I376 PolarHBondContact O-N 3.46Å
373K66.6Low63Low93 Ų93126.7 Ų126.740%0.40464%0.636SS.*Hα-helixtrans-61.1-42.1172.8-65.6179.4-170.1151.10111.5L368 P369 D370 R375 I376 N377L368-K373 HydrophobicContact CB-CG 4.39Å; L368-K373 WeakPolarHBondContact O-CE 3.12Å; P369-K373 PolarHBondContact O-N 3.07Å; D370-K373 PolarHBondContact O-N 2.94Å; D370-K373 IonicContact OD1-NZ 2.92Å; D370-K373 PolarHBondContact OD1-NZ 2.95Å; K373-R375 VanDerWaalsContact C-N 3.32Å; K373-R375 PolarHBondContact O-N 2.73Å; K373-I376 PolarHBondContact O-N 3.24Å; K373-N377 PolarHBondContact O-N 3.13Å; K373-N377 VanDerWaalsContact O-N 3.15Å
374D68.7Low62.3Low108 Ų108125 Ų12558%0.57864%0.64SS**Hα-helixtrans-66.7-32.4179.6-71.5-20.5000112.9D370 E372 K378D370-D374 PolarHBondContact O-N 3.3Å; D370-D374 VanDerWaalsContact O-N 3.14Å; E372-D374 VanDerWaalsContact C-N 3.32Å; E372-D374 PolarHBondContact O-N 2.96Å; D374-K378 PolarHBondContact O-N 3.16Å; D374-K378 VanDerWaalsContact O-N 3.15Å
375R72.7Confident61.6Low160 Ų160127.4 Ų127.460%0.60465%0.653SS**Hα-helixtrans-68.5-37.6175.7-77.5-166.5-88.1-139.9-1.5112.4E372 K373E372-R375 PolarHBondContact O-N 3.38Å; E372-R375 IonicContact OE2-CZ 3.18Å; E372-R375 IonicContact OE2-NE 3Å; E372-R375 PolarHBondContact OE2-NE 2.92Å; E372-R375 IonicContact OE2-NH2 2.66Å; E372-R375 PolarHBondContact OE2-NH2 3.05Å; K373-R375 VanDerWaalsContact C-N 3.32Å; K373-R375 PolarHBondContact O-N 2.73Å
376I66.2Low60.7Low106 Ų106128.6 Ų128.654%0.54466%0.66SS.*Hα-helixtrans-70.6-42.1179.3-65.4167.8000110.2L368 E372 K373L368-I376 HydrophobicContact CD2-CD1 3.89Å; E372-I376 WeakPolarHBondContact O-CG1 3.26Å; E372-I376 PolarHBondContact O-N 3.46Å; K373-I376 PolarHBondContact O-N 3.24Å
377N65.6Low59.5Low123 Ų123128.1 Ų128.166%0.65866%0.66SS**Hα-helixtrans-73.2-30.2-179-80.2-7.8000114.3K373 R379K373-N377 PolarHBondContact O-N 3.13Å; K373-N377 VanDerWaalsContact O-N 3.15Å; N377-R379 VanDerWaalsContact C-N 3.26Å; N377-R379 PolarHBondContact O-N 3.17Å
378K63.2Low58.5Low189 Ų189124.5 Ų124.582%0.82265%0.647SS**Hα-helixtrans-69.2-19.5178.7-104.5-180179.21730114.5D374 S380D374-K378 PolarHBondContact O-N 3.16Å; D374-K378 VanDerWaalsContact O-N 3.15Å; K378-S380 VanDerWaalsContact C-N 3.3Å; K378-S380 PolarHBondContact O-N 3.47Å
379R56.8Low57.4Low227 Ų227129.7 Ų129.786%0.85768%0.675SS**THydrogen-bonded Turntrans-83.4-5.8-175.2-141.6162.2-176.3-178.5-1.2113.8N377N377-R379 VanDerWaalsContact C-N 3.26Å; N377-R379 PolarHBondContact O-N 3.17Å
380S55.4Low55.8Low101 Ų101130.4 Ų130.471%0.70668%0.681SS**THydrogen-bonded Turntrans-91.1-3.7-171.8-165.80000115.7K378K378-S380 VanDerWaalsContact C-N 3.3Å; K378-S380 PolarHBondContact O-N 3.47Å
381N53.8Low54.3Low152 Ų152129.3 Ų129.381%0.81368%0.682SS**SBendtrans-107.98.7-169.5-113.516.8000116.8
382N52.7Low53.1Low142 Ų142131.8 Ų131.876%0.75970%0.695SS**SBendtrans-126.6103.7172.2-86.1-12.1000108.3
383N46.6Very low51.9Low163 Ų163134.5 Ų134.587%0.87271%0.712SS**  trans156.978.7145.8-75.1-14.1000110.9
384N42.5Very low50.8Low156 Ų156137 Ų13783%0.83473%0.726SS**  trans-106.1117.2155.1-87.9-21.5000106.8
385N44Very low49.7Very low151 Ų151138.5 Ų138.581%0.80773%0.734SS**  trans163.7139.6137.4-86.2-23.1000113.3
386H41.5Very low48.4Very low171 Ų171139 Ų13979%0.79275%0.749SS**  trans92.7104.2164.4-65.616.7000115.7
387S39.2Very low47.4Very low107 Ų107140.9 Ų140.975%0.74876%0.759SS**  69.9128.977.6-169.10000109.9
388S41.8Very low46.8Very low80 Ų80143 Ų14356%0.55977%0.768SS**  cis173.8155.81.443.50000104.5
389N42.6Very low46Very low157 Ų157140.8 Ų140.884%0.8477%0.765SS**  trans76.1146.3159.8-52.9-16.7000115.7
390S39.1Very low45.5Very low97 Ų97136 Ų13668%0.67876%0.761SS**  cis-174.8147.3-3164.30000107.3
391S39.6Very low44.8Very low89 Ų89136 Ų13662%0.62276%0.761SS**  trans61.8122.8143.863.10000122.7
392T47.7Very low44.4Very low124 Ų124137.9 Ų137.976%0.76177%0.767SS**  76116.2129.256.90000119.9
393N43.3Very low44.4Very low128 Ų128138.5 Ų138.568%0.68477%0.769SS**  128.1146.8102.4-134.9-10.5000116.5
394M44.3Very low44.3Very low145 Ų145136.5 Ų136.571%0.71477%0.767SS**  trans83.1118.1154.5-57.4-49.1-175.400120.7
395N45.7Very low44.7Very low140 Ų140132.4 Ų132.475%0.74976%0.763SS**  trans-40.9139.7153.8-54-54.5000112.9
396D45.4Very low44.9Very low172 Ų172130.8 Ų130.892%0.9276%0.763SS**  trans-127.1122.8152.9-104.9-29.8000110.3
397L45.4Very low45.6Very low144 Ų144129.3 Ų129.375%0.75477%0.766SS**  trans-73.1176.7173.3-8783.3000111
398M52.5Low46.2Very low169 Ų169131.2 Ų131.283%0.83377%0.774SS**  trans99.3134.5156.4-52.2-159.1-170.700114.1
399N45.6Very low47.1Very low142 Ų142130.6 Ų130.676%0.75978%0.779SS**  cis-161155.51.9-141-11.7000108.9
400T46.3Very low47.4Very low125 Ų125135.9 Ų135.977%0.76780%0.798SS**  trans-75.7152.2174.948.80000112.2
401S41.1Very low47.8Very low102 Ų102137.8 Ų137.871%0.71380%0.804SS**  trans-157.398.3154.1171.30000109.7
402M45.1Very low48.3Very low191 Ų191140.4 Ų140.494%0.94181%0.814SS**  trans-82.6128.4160.2-65.8-145.4-87.300108.4
403I52.7Low48.3Very low155 Ų155141.3 Ų141.380%0.79582%0.817SS**  trans-127.2105.8166.3-74.5172.2000107.2
404S44Very low48.6Very low121 Ų121142.1 Ų142.185%0.84683%0.825SS**  trans-99.1120.9158.543.60000107.6
405G51Low48.9Very low71 Ų71141.9 Ų141.973%0.73283%0.832SS**  trans-114.2107.9173.200000109.8
406S48.2Very low49.1Very low116 Ų116142 Ų14281%0.81184%0.837SS**  trans-90.5125.3159.4660000108.4
407T56.3Low49.4Very low140 Ų140139.9 Ų139.986%0.85983%0.831SS**  trans-124108.8167680000108.8
408T52.4Low49.7Very low148 Ų148139.5 Ų139.591%0.90884%0.837SS**  trans-76.3132.9161.8-46.70000107.9
409G59.9Low49.4Very low66 Ų66137.1 Ų137.168%0.6884%0.838SS**  trans-157.2106.3175.100000111
410H50.6Low49.8Very low268 Ų268136.6 Ų136.6100%1.24185%0.845SS**  trans61.10162.7-78.1-57.9000122

Retrieved 410 of 410 residues in 339.1 ms (Link to these results)