A0A077Z180_TRITR Loading...

Splicing factor 1

Necessary for the ATP-dependent first step of spliceosome assembly. Binds to the intron branch point sequence (BPS) 5'-UACUAAC-3' of the pre-mRNA. May act as transcription repressor.

AlphaFold DB , UniProt , Accession A0A077Z180, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 842 aa.

Structure Viewer
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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
1M41.3Very low42.4Very low236 Ų236157.2 Ų157.2100%1.16387%0.874SS**  074.10-89.8-74.1-17300103.4
2D35.5Very low42.2Very low146 Ų146152.4 Ų152.478%0.78187%0.87SS**  trans-120.3156-174.2-60.1-76000105.3
3I45.1Very low42.6Very low164 Ų164149.2 Ų149.284%0.84186%0.863SS**  trans101.784.1-167-52158.7000111.9
4L50.3Low42.7Very low167 Ų167150.7 Ų150.787%0.87487%0.866SS**  -171.779.5129.1-99.5161000109.8
5V44.7Very low42.7Very low148 Ų148145.5 Ų145.590%0.89786%0.858SS**  trans-120.3116.2153.4172.20000104.9
6A41.9Very low42.7Very low88 Ų88143.8 Ų143.873%0.72785%0.849SS**  trans155.186.415600000110.4
7C43.2Very low42.5Very low132 Ų132145.5 Ų145.589%0.89285%0.847SS**  trans-152.264.6157.6-85.30000108
8Y41.2Very low42.4Very low247 Ų247145.1 Ų145.197%0.96984%0.841SS**  trans-119.9115.7155.8-92.5-81.2000105.9
9G40.2Very low42.3Very low66 Ų66143.7 Ų143.768%0.6884%0.84SS**  trans-162.3109.8-177.800000110.4
10N39.7Very low42.2Very low156 Ų156140 Ų14083%0.83483%0.834SS**  trans66.3107.9146.3-61.3-3.9000119.9
11D43.3Very low42.2Very low179 Ų179138.3 Ų138.396%0.95783%0.829SS**  trans-130.4116.6135.7-81.9-51.8000107.8
12A39.8Very low42.2Very low100 Ų100135 Ų13583%0.82682%0.816SS**  trans-127.5135.2174.200000108.1
13S47.7Very low42.5Very low111 Ų111131.3 Ų131.378%0.77681%0.813SS**  trans-158.1102.3169.449.50000111.7
14D43.3Very low42.4Very low170 Ų170129.4 Ų129.491%0.90981%0.809SS**  trans47.3137.2132.8-62.9-37.7000125.7
15G43.2Very low41.9Very low72 Ų72127.3 Ų127.374%0.74280%0.798SS**  trans152.677.1158.100000113.2
16V43.1Very low42Very low118 Ų118128.3 Ų128.372%0.71579%0.794SS**  86.6110.282169.50000115.9
17Q39.8Very low42.1Very low173 Ų173129.3 Ų129.381%0.80880%0.795SS**  trans66.3146138.8-73.5174.5-11.700121.8
18D39.6Very low41.9Very low139 Ų139127.7 Ų127.774%0.74379%0.791SS**  cis-171.8170-12.3-142.8-26.7000109.6
19S40.7Very low42Very low118 Ų118120.8 Ų120.883%0.82579%0.785SS**  trans79.4137.5165.476.90000119.6
20G40.2Very low42Very low69 Ų69125.3 Ų125.371%0.71179%0.794SS**  cis179.2136.1-1.700000113
21S42.4Very low42.5Very low106 Ų106124.8 Ų124.874%0.74180%0.796SS**  trans61.7129141.670.80000125.3
22N42Very low42.7Very low166 Ų166124.8 Ų124.889%0.88879%0.79SS**  trans106.1124.2131.2-72.7-16.6000120.7
23G40.2Very low43.3Very low69 Ų69125.8 Ų125.871%0.71179%0.788SS**  trans144.954.9145.600000120.5
24T44.1Very low43.3Very low124 Ų124132.3 Ų132.376%0.76180%0.796SS**  trans28.6118.2137.3-90000121.5
25N39.6Very low43.4Very low122 Ų122133.1 Ų133.165%0.65279%0.794SS**  159124.5104.8-90.1-45000114.2
26Q46Very low44.1Very low170 Ų170135.9 Ų135.979%0.79480%0.799SS**  trans53.5133.6133.6-54.9174.943.600118.7
27S45.2Very low43.9Very low108 Ų108136.8 Ų136.876%0.75581%0.805SS**  cis-174.3138.510.739.50000109.1
28A37.7Very low44.3Very low99 Ų99134.5 Ų134.582%0.81881%0.808SS**  trans14.3124.9150.500000121.8
29A44.6Very low44.6Very low102 Ų102137.4 Ų137.484%0.84381%0.814SS**  trans-165.4114.5132.800000111
30D39.8Very low44.8Very low160 Ų160139 Ų13986%0.85682%0.819SS**  trans-71.1137.1175.1-65.2-77.8000113.4
31V49.6Very low44.9Very low146 Ų146140.1 Ų140.189%0.88582%0.822SS**  trans-150113.2153.3-178.50000110.5
32E48.7Very low44.9Very low179 Ų179144.3 Ų144.384%0.83683%0.83SS**PPolyproline II helixtrans-80.8155.9170.3-117.4-161.7141.200112.6
33P51Low45Very low121 Ų121141.1 Ų141.179%0.78683%0.826SS**PPolyproline II helixtrans-90.5145.1176.333.7-27.5000113.9
34R48.2Very low45.2Very low248 Ų248141.3 Ų141.394%0.93683%0.828SS**PPolyproline II helixtrans-90.6142.5-172.7-70.7176161-150.1-3.2114.4
35E46.8Very low45.1Very low186 Ų186142.3 Ų142.387%0.86983%0.829SS**PPolyproline II helixtrans-91.2154.2153.5-71.6-158.4138.600111.9
36P56.3Low45.5Very low130 Ų130142.2 Ų142.284%0.84483%0.833SS**PPolyproline II helixtrans-95.6130.817834.8-28.6000113.3
37T39.4Very low45.5Very low137 Ų137142.3 Ų142.384%0.8483%0.833SS**PPolyproline II helixtrans-103.3138.4174.3490000112.3
38S49.1Very low45.1Very low125 Ų125148.2 Ų148.287%0.87484%0.839SS**PPolyproline II helixtrans-81.4133.7170.153.20000111.7
39K44.8Very low45.3Very low201 Ų201147.1 Ų147.187%0.87483%0.83SS**PPolyproline II helixtrans-85.2132.4180-68.3173.5175.9175.60112.5
40T46.2Very low45.1Very low150 Ų150151.9 Ų151.992%0.9283%0.831SS**  trans-155.5126.5136.139.70000108.1
41A40.4Very low45.2Very low94 Ų94148.8 Ų148.878%0.77782%0.823SS**  trans-126.9165.4-178.100000111
42E43.8Very low44.7Very low194 Ų194152.7 Ų152.791%0.90782%0.821SS**  trans95.9129.8169.1-55.2-159.513700115.9
43A43.4Very low44.3Very low98 Ų98147.5 Ų147.581%0.8181%0.805SS**  cis-170.4160.2-700000109.4
44G45.1Very low43.8Very low73 Ų73146.4 Ų146.475%0.75380%0.8SS**  trans95.385.5155.900000116.7
45N42.1Very low43.4Very low146 Ų146136.8 Ų136.878%0.78177%0.771SS**  68.8104.285.3-15723.3000115.2
46T47.1Very low43.4Very low119 Ų119131.2 Ų131.273%0.7375%0.751SS**  167.9111.1119.236.20000112.1
47E45.3Very low42.7Very low173 Ų173131.3 Ų131.381%0.80875%0.749SS**  trans43.7122.5130.5-60.4-156.3124.200122.6
48R38.4Very low42.6Very low232 Ų232127.9 Ų127.988%0.87574%0.741SS**  107.193.7123-152.1163.4-171.3-164.61.8118.7
49A40.6Very low42.2Very low75 Ų75130.8 Ų130.862%0.6274%0.741SS**  75.7122.3120.700000121
50K41.9Very low41.8Very low202 Ų202130.2 Ų130.288%0.87874%0.738SS**  trans65.6131.8135.9-73.4168.1170.9170.80115.6
51S40.9Very low41.6Very low96 Ų96134.1 Ų134.167%0.67174%0.736SS**  cis172.8162.7644.90000106
52R39.9Very low41.6Very low227 Ų227139.1 Ų139.186%0.85774%0.74SS**  trans90.692.6156.4-65174.3149.1-149.2-8.4119.1
53S38.6Very low41.6Very low70 Ų70138.1 Ų138.149%0.4974%0.735SS.*  19.6127.7116.2620000122.9
54S41.5Very low41.2Very low98 Ų98144.7 Ų144.769%0.68574%0.739SS**  -178.9142.8128.834.60000108.4Q178S54-Q178 PolarHBondContact O-NE2 3.1Å
55S40.7Very low41Very low47 Ų47146.5 Ų146.533%0.32974%0.74SS.*  trans-112.6172.8162.67.40000108.3E177 Q178S55-E177 WeakPolarHBondContact CA-OE2 3.19Å; S55-E177 WeakPolarHBondContact CB-OE1 3.42Å; S55-E177 WeakPolarHBondContact CB-OE2 3.31Å; S55-E177 PolarHBondContact OG-OE1 3.28Å; S55-E177 PolarHBondContact OG-OE2 3.09Å; S55-E177 VanDerWaalsContact OG-OE2 3.11Å; S55-Q178 PolarHBondContact OG-NE2 2.97Å
56P45.8Very low40.8Very low68 Ų68151.3 Ų151.344%0.44275%0.747SS.*  -159.7159.8105.937.2-13.8000119.7E175 A176 E177P56-E175 HydrophobicContact CG-CG 4.49Å; P56-A176 HydrophobicContact CB-CB 4.42Å; P56-E177 WeakPolarHBondContact CA-OE2 3.5Å; P56-E177 WeakPolarHBondContact CB-OE2 3.33Å
57V41.8Very low40.5Very low133 Ų133151.5 Ų151.581%0.80675%0.754SS**  trans43.8133.8132.4-174.70000121.4
58G38.3Very low40.3Very low65 Ų65152 Ų15267%0.6776%0.756SS**  trans134.899.2145.700000114.5
59E40.3Very low40.5Very low186 Ų186148.2 Ų148.287%0.86975%0.745SS**  99.4119.780.4-164.2162.7172.200114.4
60K36.5Very low40.6Very low188 Ų188153.6 Ų153.682%0.81775%0.75SS**  trans-14.2133.4166.1-65.1162.8178168.50117.1
61R42.2Very low40.6Very low232 Ų232150.2 Ų150.288%0.87574%0.735SS**  trans-162.2125.3134.2-111.7161.9178.6178.9-0.4114.5
62K38.8Very low40.7Very low200 Ų200155.5 Ų155.587%0.8774%0.74SS**  trans-65134165.4-69.6169.9174.3172.90109.7
63H45Very low40.7Very low173 Ų173154.1 Ų154.180%0.80174%0.74SS**  trans-137.7104.8153.2-87.5-78.4000111.3
64R35.4Very low41Very low236 Ų236158.3 Ų158.389%0.89176%0.757SS**  trans-67.8137.4150.5-92.4174.5159.5175.7-5.1108
65S39.2Very low41Very low111 Ų111161.8 Ų161.878%0.77676%0.762SS**  trans169.5104.8140.4-73.40000109.1
66R38.2Very low41.1Very low246 Ų246166 Ų16693%0.92878%0.781SS**  54.3107.7102.7-77.5-177.3170.2159.4-2.8114.5
67S40.6Very low41Very low124 Ų124171.7 Ų171.787%0.86780%0.799SS**  trans-158.1121.8130.1-131.20000112.4
68H41.1Very low41Very low184 Ų184173.3 Ų173.385%0.85280%0.798SS**  trans-51.4160163-84.6-97.7000111
69K42.4Very low41.1Very low152 Ų152174.4 Ų174.466%0.66180%0.795SS**  158.1116.8113.8-172.8170.5-167.5176.10113
70R43.6Very low41.1Very low188 Ų188176.7 Ų176.771%0.70980%0.796SS**  trans71.8148.1142.9-67176.5-169.9-179.5-4.1115.6
71K42.3Very low41.3Very low131 Ų131173 Ų17357%0.5779%0.794SS**  cis-174.6146.810.8-119171.3174.2-178.60107.3
72R42.3Very low41.5Very low207 Ų207167.4 Ų167.478%0.78179%0.79SS**  trans83.3111.1135.9-71169.6178.1-175.3-7.2122
73K41.4Very low41.7Very low198 Ų198167.7 Ų167.786%0.86179%0.791SS**  trans-11.9138.2136.8-76.7176.1167.3-179.40117.3
74N44.7Very low41.6Very low157 Ų157170.4 Ų170.484%0.8480%0.795SS**  trans-160.4111.4140.1-85.2-26.9000106.7
75H41.2Very low42Very low172 Ų172166.6 Ų166.680%0.79678%0.784SS**  88.7131.478.1-107.2-59.5000115
76D41.8Very low42.2Very low134 Ų134167.1 Ų167.172%0.71778%0.775SS**  trans-57.9160.5-174.2-50.4-86.2000117.5
77K43.6Very low42.5Very low189 Ų189162.7 Ų162.782%0.82276%0.764SS**  trans148.8142.3144.5-83.5167.4-177.3-175.40108
78E41.5Very low42.4Very low166 Ų166167.5 Ų167.578%0.77676%0.763SS**  cis-164.5157.628.7-138.9155.3130.300111.8
79S41.6Very low42.6Very low89 Ų89168 Ų16862%0.62277%0.765SS**  trans-64.5159.2-178.7480000119.1
80R40Very low42.4Very low234 Ų234163.7 Ų163.788%0.88377%0.765SS**  160.2107.8125.3-86.7163.2177.7-1720.3111.2
81S41.5Very low42.2Very low110 Ų110166.3 Ų166.377%0.76978%0.775SS**  7611285.8177.60000116.2
82S45.1Very low42.2Very low115 Ų115164.1 Ų164.180%0.80478%0.776SS**  trans172.4100.6137.7-74.40000111.1
83K44.3Very low42.1Very low205 Ų205165.4 Ų165.489%0.89178%0.781SS**  64106.189.2-98.5-179.4176.6171.10117.6
84R41.3Very low42.1Very low231 Ų231160.4 Ų160.487%0.87277%0.771SS**  174.1115.3128.7-103.8178.6158.1-165.7-5.7110.7
85K43.8Very low42.1Very low155 Ų155160.8 Ų160.867%0.67477%0.767SS**  71135.395.8-81.2-170161.3-125.30112.9
86E43.7Very low42.3Very low122 Ų122161.3 Ų161.357%0.5777%0.767SS**  cis-176.3156.36.5-117.6166.3-176.500109.9
87H44.5Very low42.1Very low154 Ų154166.4 Ų166.471%0.71378%0.776SS**  trans73.7103.4144.2-67-55.2000125.7
88R39.7Very low42.1Very low224 Ų224168 Ų16885%0.84578%0.777SS**  trans-6.4137.6130.9-66.5176174.9-175-2.2118.2
89H45.3Very low42.1Very low194 Ų194169 Ų16990%0.89878%0.779SS**  -153.7113.8127.5-91.8-67.1000111.1
90G37.4Very low41.9Very low63 Ų63169.2 Ų169.265%0.64978%0.78SS**  trans-101.1145.5152.400000108.5
91R39.6Very low41.9Very low242 Ų242163 Ų16391%0.91377%0.773SS**  trans180110.8149.5-104.7174.4-172.9-155.11.7113.1
92S42Very low41.8Very low86 Ų86169.1 Ų169.160%0.60178%0.779SS**  90.4139.1124.6-23.80000122.3
93R40.6Very low41.5Very low234 Ų234168.2 Ų168.288%0.88377%0.773SS**  trans89.4135.8146.9-65.8157.9-175.5172.6-0.5115.8
94S41.6Very low41.4Very low92 Ų92167.9 Ų167.964%0.64377%0.772SS**  cis177.3156.9-13.9-1150000106.2
95H45.1Very low41.5Very low165 Ų165161.2 Ų161.276%0.76476%0.76SS**  trans77.7136.9165.2-60.5-61000117
96K43.8Very low41.6Very low183 Ų183164.1 Ų164.180%0.79677%0.767SS**  cis-160.61326.8-117.6161.8-173.5173.80108
97R38.9Very low41.7Very low241 Ų241163.8 Ų163.891%0.90977%0.769SS**  trans-67.5148160.1-73.2173.4162-164.2-5110.3
98R42.5Very low41.5Very low222 Ų222167.4 Ų167.484%0.83878%0.777SS**  trans-172.2118.1141.1-100160.7-171.4-1502107.8
99K41.1Very low41.5Very low189 Ų189161.3 Ų161.382%0.82277%0.768SS**  66.2137.392.5-75.5-171.4179.6-177.10111
100S39.2Very low41.2Very low92 Ų92158 Ų15864%0.64376%0.764SS**  cis170.5140.60.446.70000105.3
101S38.5Very low41.3Very low105 Ų105163 Ų16373%0.73477%0.771SS**  trans41116.4143.461.30000121.3
102R39.3Very low41.5Very low237 Ų237157 Ų15789%0.89477%0.766SS**  169.5113.1128.1-105.2172.4153.4163.7-7.7109.1
103S40Very low41.5Very low97 Ų97164.2 Ų164.268%0.67878%0.78SS**  83.9120.983.6-63.40000114.2
104K40.8Very low41.5Very low198 Ų198164.5 Ų164.586%0.86178%0.781SS**  trans59119.5140.2-77.7173.5172.5174.40115.5
105S43.7Very low41.3Very low91 Ų91171.8 Ų171.864%0.63679%0.794SS**  169.5154.154.849.20000110.9
106R45.4Very low40.9Very low216 Ų216175.9 Ų175.982%0.81580%0.803SS**  trans71.4134.1142.8-73.8166.1-174.5176.8-0.8116.8
107D45.7Very low40.7Very low115 Ų115172.4 Ų172.462%0.61580%0.801SS**  cis-169.913021.5-104-28.7000108.5
108R41.7Very low40.6Very low230 Ų230172.3 Ų172.387%0.86880%0.801SS**  113.5136.2118.8-81.8165.6-173.2173.52.1111.5
109S39.5Very low40.5Very low95 Ų95167.7 Ų167.766%0.66480%0.803SS**  cis-164.5136.6-17-173.20000106
110P39.6Very low40.4Very low125 Ų125170.5 Ų170.581%0.81281%0.808SS**  trans-97.9116.7172.532.4-23.2000110.7
111E39.5Very low40.4Very low169 Ų169171.3 Ų171.379%0.7981%0.814SS**  trans-133.699.8177.8-16171.4-147.800110.5
112S42.6Very low40.5Very low116 Ų116174.7 Ų174.781%0.81182%0.818SS**  trans173.953.1149.751.30000111.6
113R41.6Very low40.6Very low237 Ų237174.7 Ų174.789%0.89482%0.818SS**SBendtrans-139.2121.3156.6-81.2-169.6-177.5-1800.9110.2
114R40.8Very low40.5Very low240 Ų240181 Ų18191%0.90683%0.827SS**  trans83.4103.5166.7-58.3175.1172.5-179.8-2.5116.3
115R38.7Very low40.3Very low244 Ų244176.1 Ų176.192%0.92182%0.817SS**  trans-175.2105.9130.9-99.6165.6-165-148.86.4109.8
116R35Very low40.1Very low252 Ų252181.5 Ų181.595%0.95183%0.829SS**  -174.994.7129.7-106.7169.8179.9154.90.5109.7
117S39.7Very low39.6Very low109 Ų109176.2 Ų176.276%0.76283%0.825SS**  trans-102.5143157.5-43.50000107.1
118R38.7Very low39.4Very low239 Ų239177.8 Ų177.890%0.90283%0.832SS**  trans75.9106.8162.5-59.9173.9174.3157.4-2.3116.9
119S38.5Very low39.4Very low126 Ų126171.1 Ų171.188%0.88182%0.821SS**  -163.8105.4123.5-76.50000109.6
120R39.7Very low39.5Very low247 Ų247177.7 Ų177.793%0.93283%0.831SS**  trans-72133.4161.4-78.9171.5165.4154.9-5.7107.8
121S40.3Very low39.6Very low109 Ų109179.9 Ų179.976%0.76283%0.828SS**  trans176.3123.4137.939.30000112.5
122H40.3Very low39.5Very low177 Ų177182.6 Ų182.682%0.81983%0.831SS**  trans56.3108.8134.6-87.8-12.5000122.3
123R40.6Very low39.4Very low236 Ų236182.5 Ų182.589%0.89183%0.83SS**  156.6108.1109.9-86.9168.6-174.4-160.22.4107.5
124R37.7Very low39.2Very low231 Ų231176.7 Ų176.787%0.87283%0.826SS**  69.2105.970.8-163.9167.3-169.51793.8112.9
125S36.4Very low39.1Very low94 Ų94169.9 Ų169.966%0.65782%0.815SS**  trans76.2113.3143.8-580000120.2
126K39.3Very low39.2Very low204 Ų204168.8 Ų168.889%0.88781%0.811SS**  trans-151.490.4131-114.7170-177.8173.70110.6
127S35Very low39.5Very low105 Ų105163.8 Ų163.873%0.73480%0.803SS**  trans-84.5133.1151.637.30000108
128I43.3Very low39.4Very low149 Ų149169.4 Ų169.476%0.76481%0.808SS**  trans-170.799.4160-90.9141.4000104
129S40.8Very low39.3Very low90 Ų90169.1 Ų169.163%0.62981%0.808SS**  77.8111.884.1165.50000113.4
130R41.5Very low39.3Very low233 Ų233174.1 Ų174.188%0.87981%0.808SS**  trans18096.6138.4-92.1155.6-165.7-155.25.2108
131K41.8Very low39.2Very low170 Ų170172 Ų17274%0.73980%0.801SS**  78.910692.9-81.9-177.7175.9-178.20112.4
132R37.9Very low39.2Very low226 Ų226171.1 Ų171.185%0.85380%0.795SS**  71.8119.8103.7-75-177.8176.3-179.3-2.1111.6
133S40.9Very low39Very low114 Ų114169 Ų16980%0.79780%0.797SS**  -169.3128.662.8-54.10000108.5
134S36.9Very low38.9Very low115 Ų115161.9 Ų161.980%0.80478%0.783SS**  59.697.6831760000116.2
135S38.7Very low38.9Very low98 Ų98162.1 Ų162.169%0.68578%0.784SS**  trans173.3118.5131.4-970000108.9
136R41.2Very low39.1Very low221 Ų221169 Ų16983%0.83480%0.796SS**  62.6117.3106.7-86.3179.4173.5154.6-3.8111.8
137D39.8Very low39Very low146 Ų146169.5 Ų169.578%0.78179%0.794SS**  cis-158.5152.847.6-86.1-50.7000114.5
138R37.7Very low39Very low228 Ų228169.6 Ų169.686%0.8679%0.794SS**  trans-68.7144.9163.1-62.2168.2-171.8166.22.6108.9
139Y38Very low38.9Very low232 Ų232166.9 Ų166.991%0.9179%0.788SS**  trans-154.8120.1132.3-107.6-79.6000111.2
140R38.3Very low38.8Very low231 Ų231173.6 Ų173.687%0.87280%0.8SS**  trans-65143.3156.8-78.7174.5172.5170.8-3.7108.3
141Y36.5Very low38.6Very low204 Ų204173 Ų17380%0.880%0.798SS**  trans-137.9111.2149.4-156.5-103.1000110.8
142S39.6Very low38.4Very low90 Ų90175.2 Ų175.263%0.62980%0.801SS**  trans-83.4156.8165.3-62.60000109.8
143P37Very low38.3Very low131 Ų131169.8 Ų169.885%0.85180%0.798SS**  trans-78.8130.1-173.6-4.422.7000111.5
144S39.6Very low38Very low87 Ų87169.6 Ų169.661%0.60880%0.797SS**  trans-148.9117.3175.4169.40000114.1
145R37.1Very low38.1Very low236 Ų236168.9 Ų168.989%0.89179%0.792SS**  trans-20.3137.1150.5-65.8168.5175.5-123.1-1.6117.5
146R39.5Very low37.9Very low238 Ų238173 Ų17390%0.89880%0.8SS**  trans-176.3134.1136.2-102.6176.6-123.5-150.20.9105.8
147Y37.1Very low37.8Very low216 Ų216167.7 Ų167.785%0.84780%0.797SS**  -159.2147.867.1-160.1-105.3000111.5
148S36Very low37.6Very low106 Ų106171.6 Ų171.674%0.74180%0.801SS**  trans-112.1139.1-171.9133.40000110.1
149S40.9Very low37.4Very low92 Ų92165.5 Ų165.564%0.64379%0.793SS**  trans175.7131.6152.348.10000107
150R37.8Very low37.4Very low231 Ų231166.1 Ų166.187%0.87279%0.794SS**  cis-162.3133.817.2-95.6155.2-176.1-145.21.3105.5
151R37.6Very low37.2Very low222 Ų222158 Ų15884%0.83878%0.782SS**  52.5121.699.4-86.5-170.9-177.6-133.14.7112.7
152R37.4Very low37.3Very low215 Ų215155 Ų15581%0.81179%0.785SS**  cis-162.4132.345.9-79.9169-176.4-147-0.5108
153S36.5Very low37.2Very low112 Ų112159.4 Ų159.478%0.78379%0.793SS**  80.8120.675.8-530000116
154S35.2Very low37.1Very low111 Ų111159.2 Ų159.278%0.77679%0.785SS**  trans74.8135.2145.2-150.10000117
155S39.2Very low36.9Very low100 Ų100164 Ų16470%0.69979%0.789SS**  cis-165.8128.830.7-34.60000107.2
156H34.6Very low36.9Very low184 Ų184159.7 Ų159.785%0.85278%0.78SS**  41.4103.687.4-95.990.2000117.5
157S37.7Very low36.7Very low110 Ų110158.2 Ų158.277%0.76977%0.774SS**  trans176.5101.1136.550.20000108.9
158R35.4Very low36.8Very low228 Ų228152.1 Ų152.186%0.8676%0.763SS**  71.5113.588.6-78.6-173.6167.2-175.7-3.5114.9
159S34.9Very low37.1Very low100 Ų100154.7 Ų154.770%0.69976%0.763SS**  98.8139.211961.60000121.5
160R37Very low37.1Very low245 Ų245153.8 Ų153.893%0.92577%0.769SS**  trans93.4111.4165-56.8176.5177.1-176.5-2.3113.9
161G34.1Very low36.9Very low61 Ų61152.6 Ų152.663%0.62977%0.771SS**  cis89.9126.122.600000110.3
162T39.5Very low36.9Very low140 Ų140145.1 Ų145.186%0.85976%0.756SS**  trans100.6130.9-174.774.10000112.2
163F37Very low36.7Very low183 Ų183141.3 Ų141.380%0.80376%0.757SS**  cis-168132.117.9-139.7-115.4000105.2
164D34.9Very low36.6Very low127 Ų127140.1 Ų140.168%0.67975%0.754SS**  40.7135.5104-92.7-58000114.1
165R34.7Very low36.6Very low186 Ų186142.6 Ų142.670%0.70275%0.753SS**  cis170.916216.8-172.8173.3150.7115.43.5106.8
166E37.7Very low36.3Very low147 Ų147140.5 Ų140.569%0.68774%0.742SS**  trans71.1133.6162.4-80147.6-17600117
167R36.3Very low36.4Very low206 Ų206136.3 Ų136.378%0.77772%0.723SS**  -171.5117.758.2-166.9168.1-175.6165.52.5109.5E169R167-E169 IonicContact NE-OE1 2.97Å; R167-E169 IonicContact NH2-OE1 3.88Å
168S39Very low36.5Very low89 Ų89136.1 Ų136.162%0.62271%0.71SS**  37127.9103.874.60000114.7
169E42.9Very low36.5Very low159 Ų159134.4 Ų134.474%0.74371%0.714SS**  -173130.769.5-80.8159.5-156.800108.3R167R167-E169 IonicContact NE-OE1 2.97Å; R167-E169 IonicContact NH2-OE1 3.88Å
170G38.9Very low36.8Very low74 Ų74135.2 Ų135.276%0.76372%0.719SS**  106.2142.310800000110.7
171F35.6Very low36.9Very low206 Ų206130.4 Ų130.490%0.90471%0.712SS**  cis-167.5120.17.4-147.5-104.7000106
172A36.6Very low37.1Very low64 Ų64134.5 Ų134.553%0.52972%0.719SS.*  64.9110.9114.700000117.7
173T33.9Very low37Very low136 Ų136134 Ų13483%0.83472%0.716SS**  81.3119.4101.959.10000116.1
174A34.8Very low37.2Very low87 Ų87132.8 Ų132.872%0.71972%0.717SS**  112.6146.7119.700000108.3
175E33.3Very low37.3Very low162 Ų162132 Ų13276%0.75772%0.717SS**  cis-167.5172.111.7-121.2166.4143.100107P56P56-E175 HydrophobicContact CG-CG 4.49Å
176A34.5Very low37.4Very low56 Ų56130.4 Ų130.446%0.46372%0.722SS.*  trans-74.8167.1-176.200000114.4P56P56-A176 HydrophobicContact CB-CB 4.42Å
177E36.5Very low37.4Very low97 Ų97132.6 Ų132.645%0.45373%0.729SS.*  trans110.9134.4135.2-97.6167.6135.900123.3S55 P56S55-E177 WeakPolarHBondContact CA-OE2 3.19Å; S55-E177 WeakPolarHBondContact CB-OE1 3.42Å; S55-E177 WeakPolarHBondContact CB-OE2 3.31Å; S55-E177 PolarHBondContact OG-OE1 3.28Å; S55-E177 PolarHBondContact OG-OE2 3.09Å; S55-E177 VanDerWaalsContact OG-OE2 3.11Å; P56-E177 WeakPolarHBondContact CA-OE2 3.5Å; P56-E177 WeakPolarHBondContact CB-OE2 3.33Å
178Q38.6Very low37.5Very low106 Ų106128.3 Ų128.350%0.49573%0.73SS.*  trans106.4114.9151.8-70.317630.400119.6S54 S55S54-Q178 PolarHBondContact O-NE2 3.1Å; S55-Q178 PolarHBondContact OG-NE2 2.97Å
179M36.6Very low37.3Very low192 Ų192134.9 Ų134.995%0.94674%0.742SS**  trans-57.7139.4166.1-58.6139.1110.200111.6
180S40.4Very low37.1Very low117 Ų117136.3 Ų136.382%0.81875%0.746SS**  trans-172.8138.3135.760.60000111.9
181N38.3Very low37.2Very low144 Ų144138 Ų13877%0.7774%0.737SS**  trans-57.4155-179-56.3-54.4000116.2
182N38.6Very low37.5Very low147 Ų147135.5 Ų135.579%0.78673%0.728SS**  trans155.2107.4132.5-79.3-12.7000109.4
183V38.3Very low37.6Very low128 Ų128139.3 Ų139.378%0.77674%0.74SS**  57.7107.288.2178.40000112.8
184L40.9Very low37.7Very low159 Ų159136.1 Ų136.183%0.83273%0.734SS**  -171.4134.3118.7-138.580.2000112.1
185V36.8Very low37.9Very low111 Ų111137 Ų13767%0.67374%0.735SS**  trans-73.1153.5169.8169.40000110.4
186N38Very low38.1Very low151 Ų151135.4 Ų135.481%0.80773%0.732SS**  trans-178.894.9134.4-88.1-11.6000114.9
187K36.4Very low38.4Very low194 Ų194140.4 Ų140.484%0.84375%0.745SS**  11.5127.2119.8-140.2162.3-177.6171.30120.5
188S38.4Very low38.4Very low115 Ų115142.8 Ų142.880%0.80476%0.756SS**  179.5129.1128.152.20000109.6
189R35.4Very low38.3Very low228 Ų228142 Ų14286%0.8676%0.763SS**  cis90.7114.349.8-128.4-171.3-166.4178.91.1113.9
190F38.3Very low38.3Very low189 Ų189136.8 Ų136.883%0.82975%0.749SS**  trans176.5104.3142.4-120.7-103.7000108.1
191D41.3Very low38.1Very low109 Ų109138.6 Ų138.658%0.58375%0.75SS**  77.5145.891.8-66.9-40.3000113.5
192E41.2Very low38Very low153 Ų153138 Ų13872%0.71575%0.747SS**  cis-178.3152.6-29.2-141.2-170.2176.400105.3
193N38.4Very low37.9Very low145 Ų145135.5 Ų135.578%0.77574%0.737SS**  trans74.3134.9159.6-49.7-36.8000119.4
194G35.8Very low37.8Very low68 Ų68135.9 Ų135.970%0.70174%0.735SS**  cis170.1155.40.600000110.4
195S38.8Very low37.5Very low106 Ų106135.1 Ų135.174%0.74173%0.732SS**  trans62.3141.6146.1117.50000119.5
196D38.7Very low37.5Very low129 Ų129134.7 Ų134.769%0.6973%0.733SS**  cis-166.7170.44.9-77.2-48.9000110.1
197H40.4Very low37.4Very low161 Ų161132.9 Ų132.975%0.74573%0.733SS**  trans70.8143.1155.5-79-80.1000119.6
198E36.2Very low37.2Very low147 Ų147129 Ų12969%0.68773%0.729SS**  cis-174.5152.1-18.9-137.3-166.1102.900106.7
199S37.3Very low37.2Very low90 Ų90131.8 Ų131.863%0.62973%0.734SS**  trans69.799.6143.6-650000123
200A35.5Very low37.2Very low81 Ų81126.2 Ų126.267%0.66973%0.725SS**  71.5133.511100000123.8
201N37.5Very low37.2Very low156 Ų156124 Ų12483%0.83472%0.717SS**  trans72.1150.4147.9-64.6-20.3000118.6
202N35.1Very low37.5Very low131 Ų131127.7 Ų127.770%0.70173%0.733SS**  cis-178.9163.4-21.6-171.23.7000103.5
203T38.1Very low37.3Very low94 Ų94128.3 Ų128.358%0.57773%0.733SS**  trans72.4111.3156.654.70000122.2
204N35.8Very low37.6Very low136 Ų136127 Ų12773%0.72773%0.733SS**  75.3134.2115.9-54.8-16.2000122.7
205N34.6Very low38.3Very low144 Ų144129 Ų12977%0.7773%0.733SS**  trans80.4112.4144.7-76.5-11.2000120.2
206S35.7Very low38.5Very low102 Ų102133.8 Ų133.871%0.71374%0.744SS**  57.9114.6121.6-48.40000118.6
207S37.2Very low38.5Very low113 Ų113132.1 Ų132.179%0.7975%0.748SS**  154.1134.3114.9-64.80000112.2
208S32Very low38.8Very low111 Ų111131.7 Ų131.778%0.77676%0.757SS**  trans6.7133152.163.10000120.1
209I36.9Very low38.7Very low175 Ų175131.9 Ų131.990%0.89776%0.762SS**  -166.4155.6115.2-141.7158.3000111.6
210V36.4Very low38.9Very low111 Ų111134.6 Ų134.667%0.67378%0.775SS**  trans-108163-163.7-167.10000110.7
211H37.7Very low39Very low141 Ų141135.9 Ų135.965%0.65378%0.779SS**  trans97.4120.9152.9-78.3-74.1000120.3F213H211-F213 AromaticContact ND1-CD2 3.76Å
212M47.4Very low39.2Very low188 Ų188132.2 Ų132.293%0.92677%0.77SS**  -160.7110.8123.5-97.2-85.7127.100109.9
213F37.5Very low39.5Very low165 Ų165132.8 Ų132.872%0.72477%0.773SS**  trans-90-171.2169.4-97.4-90.7000108.6H211H211-F213 AromaticContact ND1-CD2 3.76Å
214P44.6Very low39.7Very low117 Ų117135.4 Ų135.476%0.7679%0.789SS**  cis-148.3-163.619.455.7-34.9000114.2
215P50.2Low39.9Very low110 Ų110134.5 Ų134.571%0.71479%0.793SS**  trans-126-179.2-138.931.7-6.3000115.5
216E43.1Very low40.3Very low208 Ų208135.5 Ų135.597%0.97280%0.798SS**  trans-154.8148.8150.2-76.6-154138.200112.5
217A39.3Very low40.8Very low94 Ų94135.4 Ų135.478%0.77779%0.789SS**  trans-108.8153.2-158.900000114.1
218V46.5Very low41.3Very low152 Ų152134.7 Ų134.792%0.92178%0.784SS**  trans-152.5120.2143.4-82.90000110.5
219N33.8Very low42.4Very low151 Ų151133.6 Ų133.681%0.80778%0.776SS**  trans-87.5133174.5-97.6-23.3000110.4
220V42.4Very low43.2Very low147 Ų147129.4 Ų129.489%0.89176%0.755SS**  trans-139105.9146.9-177.40000108
221S36.6Very low44.1Very low108 Ų108126.6 Ų126.676%0.75574%0.743SS**  trans-85.7126.8175.8-60.20000110.7
222A41.5Very low45Very low78 Ų78124.7 Ų124.765%0.64574%0.738SS**  trans-160.994.8155.800000110.5
223N42.4Very low45.5Very low144 Ų144119.3 Ų119.377%0.7772%0.719SS**  trans35.697.4137.264.4-5.1000121.3
224V43.2Very low46.6Very low148 Ų148117.4 Ų117.490%0.89771%0.712SS**  trans-144.194.7135.4-127.60000110.5L226V224-L226 PolarHBondContact O-N 3.3Å
225S39.3Very low47.3Very low117 Ų117115 Ų11582%0.81870%0.698SS**  trans-8591.7174.3-54.40000109.3
226L43.4Very low47.9Very low166 Ų166116.7 Ų116.787%0.86970%0.696SS**  trans-170.151.5164.1-144.180.5000115.5V224V224-L226 PolarHBondContact O-N 3.3Å
227D45Very low48.8Very low100 Ų100109.1 Ų109.154%0.53567%0.669SS.*  trans-160.323.2163.2-136.2-3.6000119.7S229 I230D227-S229 PolarHBondContact O-N 3.21Å; D227-I230 VanDerWaalsContact OD1-CB 3.22Å; D227-I230 WeakPolarHBondContact OD1-CB 3.11Å; D227-I230 WeakPolarHBondContact OD1-CD1 3.3Å; D227-I230 WeakPolarHBondContact OD1-CG1 3.18Å
228S48.6Very low50Low97 Ų97109.1 Ų109.168%0.67865%0.653SS**Hα-helixtrans-74-27-176.5-49.60000113.6D232S228-D232 PolarHBondContact O-N 3.4Å
229S54Low50.7Low88 Ų88104.5 Ų104.562%0.61563%0.631SS**Hα-helixtrans-78.8-24.8-17854.10000114.2D227 S233D227-S229 PolarHBondContact O-N 3.21Å; S229-S233 PolarHBondContact O-N 3.02Å; S229-S233 PolarHBondContact O-OG 2.88Å
230I55.3Low52.1Low87 Ų87100.3 Ų100.345%0.44662%0.617SS.*Hα-helixtrans-77-39.3175.9-57.3-171.7000109.4D227 D232 S233 E234D227-I230 VanDerWaalsContact OD1-CB 3.22Å; D227-I230 WeakPolarHBondContact OD1-CB 3.11Å; D227-I230 WeakPolarHBondContact OD1-CD1 3.3Å; D227-I230 WeakPolarHBondContact OD1-CG1 3.18Å; I230-D232 PolarHBondContact O-N 2.85Å; I230-S233 WeakPolarHBondContact O-CB 3.4Å; I230-S233 PolarHBondContact O-N 3.42Å; I230-S233 VanDerWaalsContact O-N 3.15Å; I230-E234 HydrophobicContact CG2-CG 4.29Å; I230-E234 WeakPolarHBondContact O-CB 3.43Å; I230-E234 WeakPolarHBondContact O-CG 3.34Å; I230-E234 PolarHBondContact O-N 3.14Å
231A54.6Low53.1Low52 Ų52103.8 Ų103.843%0.4361%0.614SS.*Hα-helixtrans-63.2-36.6175.800000113.6S235A231-S235 VanDerWaalsContact O-CB 3.23Å; A231-S235 WeakPolarHBondContact O-CB 3.37Å; A231-S235 PolarHBondContact O-N 2.65Å; A231-S235 PolarHBondContact O-OG 3.38Å; A231-S235 VanDerWaalsContact O-OG 3.08Å
232D56.4Low54.2Low101 Ų101107 Ų10754%0.5461%0.61SS.*Hα-helixtrans-71.8-32.3174.6-72.6-29.8000112.5S228 I230 S235 Q236S228-D232 PolarHBondContact O-N 3.4Å; I230-D232 PolarHBondContact O-N 2.85Å; D232-S235 WeakPolarHBondContact CA-OG 3.21Å; D232-S235 PolarHBondContact O-OG 3.06Å; D232-Q236 WeakPolarHBondContact O-CB 3.47Å; D232-Q236 WeakPolarHBondContact O-CG 3.38Å; D232-Q236 PolarHBondContact O-N 3.24Å
233S58Low55.1Low75 Ų75113.5 Ų113.552%0.52462%0.617SS.*Hα-helixtrans-71.7-41.9175.6-55.20000111.4S229 I230 A237S229-S233 PolarHBondContact O-N 3.02Å; S229-S233 PolarHBondContact O-OG 2.88Å; I230-S233 WeakPolarHBondContact O-CB 3.4Å; I230-S233 PolarHBondContact O-N 3.42Å; I230-S233 VanDerWaalsContact O-N 3.15Å; S233-A237 WeakPolarHBondContact O-CB 3.37Å; S233-A237 PolarHBondContact O-N 2.88Å
234E59.6Low56Low126 Ų126117.8 Ų117.859%0.58962%0.623SS**Hα-helixtrans-70.2-39.9176.1-73.5-172.4136.600111.4I230 A237 E238I230-E234 HydrophobicContact CG2-CG 4.29Å; I230-E234 WeakPolarHBondContact O-CB 3.43Å; I230-E234 WeakPolarHBondContact O-CG 3.34Å; I230-E234 PolarHBondContact O-N 3.14Å; E234-A237 PolarHBondContact O-N 3.43Å; E234-E238 WeakPolarHBondContact O-CB 3.27Å; E234-E238 PolarHBondContact O-N 3.1Å
235S60.9Low57.2Low65 Ų65119.3 Ų119.346%0.45562%0.617SS.*Hα-helixtrans-69.1-34.8176.770.20000113.1A231 D232 A239A231-S235 VanDerWaalsContact O-CB 3.23Å; A231-S235 WeakPolarHBondContact O-CB 3.37Å; A231-S235 PolarHBondContact O-N 2.65Å; A231-S235 PolarHBondContact O-OG 3.38Å; A231-S235 VanDerWaalsContact O-OG 3.08Å; D232-S235 WeakPolarHBondContact CA-OG 3.21Å; D232-S235 PolarHBondContact O-OG 3.06Å; S235-A239 WeakPolarHBondContact O-CB 3.37Å; S235-A239 PolarHBondContact O-N 2.81Å
236Q62.1Low58.9Low147 Ų147117.5 Ų117.569%0.68761%0.605SS**Hα-helixtrans-73.3-39171.2-75.4-17215.900112.6D232 E238 A239 A240D232-Q236 WeakPolarHBondContact O-CB 3.47Å; D232-Q236 WeakPolarHBondContact O-CG 3.38Å; D232-Q236 PolarHBondContact O-N 3.24Å; Q236-E238 VanDerWaalsContact C-N 3.27Å; Q236-E238 PolarHBondContact O-N 3.06Å; Q236-A239 PolarHBondContact O-N 2.95Å; Q236-A240 VanDerWaalsContact O-CB 3.28Å; Q236-A240 WeakPolarHBondContact O-CB 3.24Å; Q236-A240 PolarHBondContact O-N 3Å
237A62.7Low59.8Low48 Ų48121.5 Ų121.540%0.39761%0.608SS.*Hα-helixtrans-64.2-35.8173.300000111.2S233 E234 A240 R241S233-A237 WeakPolarHBondContact O-CB 3.37Å; S233-A237 PolarHBondContact O-N 2.88Å; E234-A237 PolarHBondContact O-N 3.43Å; A237-A240 PolarHBondContact O-N 2.94Å; A237-R241 WeakPolarHBondContact O-CB 2.78Å; A237-R241 VanDerWaalsContact O-CG 3.24Å; A237-R241 WeakPolarHBondContact O-CG 3.41Å; A237-R241 PolarHBondContact O-N 3.27Å
238E63.9Low61Low95 Ų95127 Ų12744%0.44462%0.622SS.*Hα-helixtrans-78-35.4177.2-162.3160.6152.200112.1E234 Q236 A240 R241 R242E234-E238 WeakPolarHBondContact O-CB 3.27Å; E234-E238 PolarHBondContact O-N 3.1Å; Q236-E238 VanDerWaalsContact C-N 3.27Å; Q236-E238 PolarHBondContact O-N 3.06Å; E238-A240 VanDerWaalsContact C-N 3.32Å; E238-A240 PolarHBondContact O-N 3.45Å; E238-R241 CarbonylContact O-C 3.57Å; E238-R241 PolarHBondContact O-N 3.33Å; E238-R242 VanDerWaalsContact O-CB 3.25Å; E238-R242 WeakPolarHBondContact O-CB 3.28Å; E238-R242 WeakPolarHBondContact O-CG 3.28Å; E238-R242 PolarHBondContact O-N 3.45Å; E238-R242 IonicContact OE1-CZ 2.78Å; E238-R242 IonicContact OE1-NE 3.97Å; E238-R242 IonicContact OE1-NH2 3.6Å; E238-R242 PolarHBondContact OE1-NH2 3.38Å
239A61.9Low61.7Low55 Ų55126.2 Ų126.246%0.45562%0.616SS.*Hα-helixtrans-64.2-35.8168.500000112.1S235 Q236 R242 R243S235-A239 WeakPolarHBondContact O-CB 3.37Å; S235-A239 PolarHBondContact O-N 2.81Å; Q236-A239 PolarHBondContact O-N 2.95Å; A239-R242 PolarHBondContact O-N 3Å; A239-R243 PolarHBondContact O-N 3.46Å; A239-R243 VanDerWaalsContact O-N 3.12Å
240A63.3Low62Low62 Ų62129.3 Ų129.351%0.51262%0.619SS.*Hα-helixtrans-70.4-36.8172.800000112.3Q236 A237 E238 R243Q236-A240 VanDerWaalsContact O-CB 3.28Å; Q236-A240 WeakPolarHBondContact O-CB 3.24Å; Q236-A240 PolarHBondContact O-N 3Å; A237-A240 PolarHBondContact O-N 2.94Å; E238-A240 VanDerWaalsContact C-N 3.32Å; E238-A240 PolarHBondContact O-N 3.45Å; A240-R243 PolarHBondContact O-N 3.25Å
241R62.3Low62Low220 Ų220132.5 Ų132.583%0.8363%0.631SS**Hα-helixtrans-69.9-30.1171-72.9173.2-178-141.42.8112.5A237 E238A237-R241 WeakPolarHBondContact O-CB 2.78Å; A237-R241 VanDerWaalsContact O-CG 3.24Å; A237-R241 WeakPolarHBondContact O-CG 3.41Å; A237-R241 PolarHBondContact O-N 3.27Å; E238-R241 CarbonylContact O-C 3.57Å; E238-R241 PolarHBondContact O-N 3.33Å
242R59.7Low62.3Low176 Ų176133.9 Ų133.966%0.66465%0.651SS**THydrogen-bonded Turntrans-79.7-9.2175-73.3173.1-170.9-1697113.8E238 A239 R244E238-R242 VanDerWaalsContact O-CB 3.25Å; E238-R242 WeakPolarHBondContact O-CB 3.28Å; E238-R242 WeakPolarHBondContact O-CG 3.28Å; E238-R242 PolarHBondContact O-N 3.45Å; E238-R242 IonicContact OE1-CZ 2.78Å; E238-R242 IonicContact OE1-NE 3.97Å; E238-R242 IonicContact OE1-NH2 3.6Å; E238-R242 PolarHBondContact OE1-NH2 3.38Å; A239-R242 PolarHBondContact O-N 3Å; R242-R244 PolarHBondContact O-N 3.09Å
243R60Low62.5Low214 Ų214134.7 Ų134.781%0.80865%0.652SS**SBendtrans-65.688.9165.5-72.6-172.6175.2-154-1.6108A239 A240 K245A239-R243 PolarHBondContact O-N 3.46Å; A239-R243 VanDerWaalsContact O-N 3.12Å; A240-R243 PolarHBondContact O-N 3.25Å; R243-K245 PolarHBondContact O-N 2.83Å
244R61.6Low62.7Low234 Ų234137.4 Ų137.488%0.88365%0.654SS**  trans-41.9130.8178.3-70.3177.6170.7164.4-3.3109.2R242 S246R242-R244 PolarHBondContact O-N 3.09Å; R244-S246 PolarHBondContact O-N 3.43Å
245K68.9Low62.8Low180 Ų180133.9 Ų133.978%0.78365%0.647SS**  trans-44.6117.6170.2-165.490.9167.7-157.30107.3R243 R247R243-K245 PolarHBondContact O-N 2.83Å; K245-R247 PolarHBondContact O-N 2.85Å
246S74.7Confident62.8Low80 Ų80138.4 Ų138.456%0.55966%0.658SS**  trans-53.8130-179.5170.60000108.7R244 W248R244-S246 PolarHBondContact O-N 3.43Å; S246-W248 VanDerWaalsContact CB-O 3.28Å; S246-W248 WeakPolarHBondContact CB-O 3.26Å; S246-W248 PolarHBondContact O-N 3Å; S246-W248 PolarHBondContact OG-N 3.22Å; S246-W248 VanDerWaalsContact OG-N 3.11Å; S246-W248 PolarHBondContact OG-O 2.93Å
247R62.2Low62.9Low249 Ų249131.8 Ų131.894%0.9463%0.628SS**SBendtrans-64.5-18.1172.8-64.8179.679.5160.93111.5K245K245-R247 PolarHBondContact O-N 2.85Å
248W70.1Confident63Low216 Ų216134.3 Ų134.382%0.81864%0.64SS**SBendtrans-98.7143.7174.8-54.894.9000110.3S246S246-W248 VanDerWaalsContact CB-O 3.28Å; S246-W248 WeakPolarHBondContact CB-O 3.26Å; S246-W248 PolarHBondContact O-N 3Å; S246-W248 PolarHBondContact OG-N 3.22Å; S246-W248 VanDerWaalsContact OG-N 3.11Å; S246-W248 PolarHBondContact OG-O 2.93Å
249S62.8Low63.1Low80 Ų80133.7 Ų133.756%0.55966%0.659SS**PPolyproline II helixtrans-57.4158.7177.7-63.80000111.4
250K62.2Low63.5Low154 Ų154131.6 Ų131.667%0.6764%0.64SS**PPolyproline II helixtrans-58.6149.6176.6-70.4176-179.3173.40109.1G252 E253K250-G252 PolarHBondContact O-N 3.4Å; K250-E253 HydrophobicContact CB-CG 4.46Å; K250-E253 PolarHBondContact N-OE2 3.33Å; K250-E253 WeakPolarHBondContact O-CA 3.36Å; K250-E253 PolarHBondContact O-N 3.11Å
251E53.9Low64Low153 Ų153132.7 Ų132.772%0.71564%0.642SS**THydrogen-bonded Turntrans-56.5-23.3-174.2-173.4140.9-128.700114.2K254E251-K254 HydrophobicContact CG-CD 4.46Å; E251-K254 IonicContact OE1-NZ 3.35Å; E251-K254 PolarHBondContact OE1-NZ 3.34Å
252G61Low64.5Low82 Ų82127.5 Ų127.585%0.84564%0.635SS**THydrogen-bonded Turntrans-88.5-5.6172.700000116.4K250K250-G252 PolarHBondContact O-N 3.4Å
253E61.5Low65.3Low118 Ų118122.7 Ų122.755%0.55163%0.632SS**  trans-102.75.8176.2-71.1167.7178.400111.7K250 A255K250-E253 HydrophobicContact CB-CG 4.46Å; K250-E253 PolarHBondContact N-OE2 3.33Å; K250-E253 WeakPolarHBondContact O-CA 3.36Å; K250-E253 PolarHBondContact O-N 3.11Å; E253-A255 PolarHBondContact O-N 2.63Å
254K61.9Low66.2Low132 Ų132115.8 Ų115.857%0.57461%0.611SS**  trans-61.1100.8173.4-70.6174.2178.6173.80108.4E251 F256E251-K254 HydrophobicContact CG-CD 4.46Å; E251-K254 IonicContact OE1-NZ 3.35Å; E251-K254 PolarHBondContact OE1-NZ 3.34Å; K254-F256 VanDerWaalsContact C-N 3.33Å; K254-F256 PolarHBondContact O-N 3.06Å
255A61Low66.9Low52 Ų52107.5 Ų107.543%0.4359%0.588SS.*  trans-59.290.4173.400000110.2E253 V257E253-A255 PolarHBondContact O-N 2.63Å; A255-V257 PolarHBondContact O-N 2.97Å
256F61.6Low67.4Low160 Ų160108 Ų10870%0.70260%0.595SS**  trans-79.1115.8168.8-164.2-102.6000107.6K254 P258 R287K254-F256 VanDerWaalsContact C-N 3.33Å; K254-F256 PolarHBondContact O-N 3.06Å; F256-P258 VanDerWaalsContact O-CD 3.26Å; F256-P258 WeakPolarHBondContact O-CD 3.17Å; F256-R287 PolarHBondContact O-NH1 2.9Å; F256-R287 VanDerWaalsContact O-NH1 3.07Å
257V63.9Low67.7Low7 Ų7110.9 Ų110.94%0.04260%0.604CS.*  trans-78.3112.8168.6-1780000106.4A255 G259 M260 L280 E283 D284A255-V257 PolarHBondContact O-N 2.97Å; V257-G259 PolarHBondContact O-N 3.25Å; V257-G259 VanDerWaalsContact O-N 3.11Å; V257-M260 HydrophobicContact CB-CB 4.39Å; V257-M260 HydrophobicContact CG1-CB 4.03Å; V257-M260 PolarHBondContact O-N 3.45Å; V257-L280 HydrophobicContact CB-CD1 4.3Å; V257-L280 HydrophobicContact CG2-CD1 3.92Å; V257-E283 HydrophobicContact CG1-CB 3.78Å; V257-E283 WeakPolarHBondContact CG1-OE2 3.45Å; V257-D284 HydrophobicContact CG2-CB 4.39Å; V257-D284 VanDerWaalsContact CG2-CG 3.48Å; V257-D284 WeakPolarHBondContact CG2-OD1 3.15Å
258P65.2Low68.5Low102 Ų102101 Ų10166%0.66257%0.57SS**THydrogen-bonded Turntrans-63.8118.2177.6-16.831.5000109.1F256F256-P258 VanDerWaalsContact O-CD 3.26Å; F256-P258 WeakPolarHBondContact O-CD 3.17Å
259G66.5Low69.4Low81 Ų8194.3 Ų94.384%0.83555%0.553SS**THydrogen-bonded Turntrans101.2-5.1174.100000116.3V257V257-G259 PolarHBondContact O-N 3.25Å; V257-G259 VanDerWaalsContact O-N 3.11Å
260M70.3Confident70.7Confident12 Ų1296.4 Ų96.46%0.05955%0.554CS.*  trans-127.1111178.6-163.5172.8-173.800111.5V257 Y276 Q279 L280 E283V257-M260 HydrophobicContact CB-CB 4.39Å; V257-M260 HydrophobicContact CG1-CB 4.03Å; V257-M260 PolarHBondContact O-N 3.45Å; M260-Y276 HydrophobicContact CE-CD1 3.92Å; M260-Y276 HydrophobicContact CE-CD2 3.45Å; M260-Y276 VanDerWaalsContact CE-CD2 3.45Å; M260-Y276 HydrophobicContact CE-CE1 3.78Å; M260-Y276 HydrophobicContact CE-CE2 3.28Å; M260-Y276 HydrophobicContact CE-CG 3.78Å; M260-Y276 VanDerWaalsContact CE-CZ 3.45Å; M260-Y276 WeakPolarHBondContact CE-O 3.31Å; M260-Y276 HydrophobicContact CG-CE2 4.28Å; M260-Q279 HydrophobicContact CE-CB 4Å; M260-Q279 HydrophobicContact CE-CG 4.04Å; M260-Q279 HydrophobicContact SD-CG 4.2Å; M260-L280 HydrophobicContact CB-CD1 4.06Å; M260-L280 HydrophobicContact CE-CB 3.76Å; M260-L280 HydrophobicContact CE-CD1 4.46Å; M260-L280 HydrophobicContact CG-CD1 3.8Å; M260-L280 WeakPolarHBondContact SD-CA 3.32Å; M260-L280 HydrophobicContact SD-CB 3.66Å; M260-L280 HydrophobicContact SD-CD1 3.56Å; M260-L280 VanDerWaalsContact SD-CD1 3.56Å; M260-L280 HydrophobicContact SD-CG 4.23Å; M260-E283 WeakPolarHBondContact CB-OE2 3.47Å
261P72.4Confident71.9Confident84 Ų8495.9 Ų95.955%0.54555%0.554SS.*  trans-62137.8177.7-2232.7000112.1A263 Y276P261-A263 PolarHBondContact O-N 2.75Å; P261-Y276 PolarHBondContact O-OH 3.44Å
262T72.5Confident73.5Confident112 Ų11292.8 Ų92.869%0.68754%0.54SS*.SBendtrans-77.3-7.3174.552.10000113.4
263A78Confident74.9Confident74 Ų7492.5 Ų92.561%0.61252%0.516SS*.SBendtrans-89.8118.3176.700000110.2P261P261-A263 PolarHBondContact O-N 2.75Å
264L77.6Confident76.3Confident69 Ų6991.4 Ų91.436%0.36151%0.509SS..PPolyproline II helixtrans-74.8131.1173.3-75130.6000109.9Q273 Y276 L277L264-Q273 HydrophobicContact CD2-CB 4.27Å; L264-Q273 HydrophobicContact CD2-CG 4.34Å; L264-Y276 HydrophobicContact CD2-CD1 3.41Å; L264-Y276 VanDerWaalsContact CD2-CD1 3.41Å; L264-Y276 HydrophobicContact CD2-CE1 4.18Å; L264-Y276 HydrophobicContact CD2-CG 3.96Å; L264-Y276 HydrophobicContact CG-CD1 3.84Å; L264-Y276 HydrophobicContact CG-CE1 4.12Å; L264-L277 HydrophobicContact CD1-CD2 4.1Å
265P77Confident77.7Confident60 Ų6086.7 Ų86.739%0.3949%0.491SS..PPolyproline II helixtrans-67.9141.1170.130.3-34.9000110.4N267 L268P265-N267 VanDerWaalsContact C-N 3.28Å; P265-N267 PolarHBondContact O-N 3.04Å; P265-L268 HydrophobicContact CG-CD1 4.14Å
266M78.5Confident79Confident190 Ų19086.2 Ų86.294%0.93648%0.478SS*.THydrogen-bonded Turntrans-72.1-14.7-171.7-64.8173.365.200114.6L268M266-L268 VanDerWaalsContact C-N 3.34Å; M266-L268 PolarHBondContact O-N 3.31Å
267N80.8Confident80.4Confident141 Ų14182.3 Ų82.375%0.75446%0.464SS*.THydrogen-bonded Turntrans-94.824.6-173.665.2-31.9000114P265P265-N267 VanDerWaalsContact C-N 3.28Å; P265-N267 PolarHBondContact O-N 3.04Å
268L80.8Confident81.8Confident43 Ų4382.9 Ų82.923%0.22547%0.466CS..  trans-103135.1-175-130.872.8000110.7P265 M266 Q272 Q273P265-L268 HydrophobicContact CG-CD1 4.14Å; M266-L268 VanDerWaalsContact C-N 3.34Å; M266-L268 PolarHBondContact O-N 3.31Å; L268-Q272 HydrophobicContact CB-CB 4.35Å; L268-Q272 HydrophobicContact CD1-CB 4.38Å; L268-Q272 HydrophobicContact CD2-CB 3.66Å; L268-Q272 WeakPolarHBondContact CD2-O 3.44Å; L268-Q272 HydrophobicContact CG-CB 3.46Å; L268-Q272 VanDerWaalsContact CG-CB 3.46Å; L268-Q272 HydrophobicContact CG-CG 4.42Å; L268-Q273 HydrophobicContact CB-CG 3.9Å; L268-Q273 HydrophobicContact CD2-CG 4.38Å; L268-Q273 PolarHBondContact O-NE2 3.37Å
269T88.4Confident83Confident75 Ų7581.5 Ų81.546%0.4645%0.451SS..  trans-63.2156.8173.965.80000110.5E271 Q272 Q273T269-E271 PolarHBondContact O-N 3.38Å; T269-Q272 VanDerWaalsContact N-OE1 3.08Å; T269-Q272 CarbonylContact O-C 3.58Å; T269-Q272 PolarHBondContact O-N 3.38Å; T269-Q272 WeakPolarHBondContact OG1-CB 2.99Å; T269-Q272 WeakPolarHBondContact OG1-CG 3.41Å; T269-Q272 PolarHBondContact OG1-N 3.49Å; T269-Q273 WeakPolarHBondContact O-CG 3.26Å; T269-Q273 PolarHBondContact O-N 3.28Å
270E89Confident84.1Confident124 Ų12478.8 Ų78.858%0.57942%0.418SS*.Hα-helixtrans-56.1-38.8-179.7-166.4-168.8150.900112.1Q273 K274E270-Q273 WeakPolarHBondContact O-CB 3.42Å; E270-Q273 PolarHBondContact O-N 3.08Å; E270-K274 WeakPolarHBondContact O-CG 3.44Å; E270-K274 PolarHBondContact O-N 3.21Å; E270-K274 WeakPolarHBondContact OE1-CE 3.47Å; E270-K274 IonicContact OE1-NZ 3.67Å; E270-K274 PolarHBondContact OE1-NZ 3.42Å
271E88.1Confident85Confident143 Ų14382.5 Ų82.567%0.66844%0.435SS*.Hα-helixtrans-61.4-46.5173.7-65.2178.2175.600111.9T269 Q273 K274 L275T269-E271 PolarHBondContact O-N 3.38Å; E271-Q273 VanDerWaalsContact C-N 3.31Å; E271-Q273 PolarHBondContact O-N 3.25Å; E271-K274 WeakPolarHBondContact O-CB 3.31Å; E271-K274 PolarHBondContact O-N 3.08Å; E271-L275 VanDerWaalsContact O-CG 3.3Å; E271-L275 WeakPolarHBondContact O-CG 3.34Å; E271-L275 PolarHBondContact O-N 2.88Å
272Q87.8Confident86Confident88 Ų8878.5 Ų78.541%0.41141%0.409SS..Hα-helixtrans-66.2-33.4177.1-69.5170.5-16.700112.1L268 T269 L275 Y276L268-Q272 HydrophobicContact CB-CB 4.35Å; L268-Q272 HydrophobicContact CD1-CB 4.38Å; L268-Q272 HydrophobicContact CD2-CB 3.66Å; L268-Q272 WeakPolarHBondContact CD2-O 3.44Å; L268-Q272 HydrophobicContact CG-CB 3.46Å; L268-Q272 VanDerWaalsContact CG-CB 3.46Å; L268-Q272 HydrophobicContact CG-CG 4.42Å; T269-Q272 VanDerWaalsContact N-OE1 3.08Å; T269-Q272 CarbonylContact O-C 3.58Å; T269-Q272 PolarHBondContact O-N 3.38Å; T269-Q272 WeakPolarHBondContact OG1-CB 2.99Å; T269-Q272 WeakPolarHBondContact OG1-CG 3.41Å; T269-Q272 PolarHBondContact OG1-N 3.49Å; Q272-L275 PolarHBondContact O-N 2.85Å; Q272-Y276 WeakPolarHBondContact O-CB 3.37Å; Q272-Y276 PolarHBondContact O-N 3.42Å
273Q89.6Confident86.8Confident75 Ų7576 Ų7635%0.3539%0.389SS..Hα-helixtrans-64.4-44.7172.9-65.7175.319.100110.7L264 L268 T269 E270 E271 Y276 L277L264-Q273 HydrophobicContact CD2-CB 4.27Å; L264-Q273 HydrophobicContact CD2-CG 4.34Å; L268-Q273 HydrophobicContact CB-CG 3.9Å; L268-Q273 HydrophobicContact CD2-CG 4.38Å; L268-Q273 PolarHBondContact O-NE2 3.37Å; T269-Q273 WeakPolarHBondContact O-CG 3.26Å; T269-Q273 PolarHBondContact O-N 3.28Å; E270-Q273 WeakPolarHBondContact O-CB 3.42Å; E270-Q273 PolarHBondContact O-N 3.08Å; E271-Q273 VanDerWaalsContact C-N 3.31Å; E271-Q273 PolarHBondContact O-N 3.25Å; Q273-Y276 PolarHBondContact O-N 3.16Å; Q273-L277 WeakPolarHBondContact O-CB 3.16Å; Q273-L277 VanDerWaalsContact O-CG 3.29Å; Q273-L277 WeakPolarHBondContact O-CG 3.15Å; Q273-L277 PolarHBondContact O-N 3.3Å
274K91Very high87.4Confident95 Ų9574.2 Ų74.241%0.41337%0.37SS..Hα-helixtrans-60.6-45174.6-72.5171.7-175.61670111.3E270 E271 L277 L278 M343E270-K274 WeakPolarHBondContact O-CG 3.44Å; E270-K274 PolarHBondContact O-N 3.21Å; E270-K274 WeakPolarHBondContact OE1-CE 3.47Å; E270-K274 IonicContact OE1-NZ 3.67Å; E270-K274 PolarHBondContact OE1-NZ 3.42Å; E271-K274 WeakPolarHBondContact O-CB 3.31Å; E271-K274 PolarHBondContact O-N 3.08Å; K274-L277 PolarHBondContact O-N 2.07Å; K274-L278 WeakPolarHBondContact O-CB 3.31Å; K274-L278 WeakPolarHBondContact O-CG 3.29Å; K274-L278 PolarHBondContact O-N 2.84Å; K274-M343 HydrophobicContact CB-CE 4.35Å; K274-M343 HydrophobicContact CB-SD 4.32Å
275L91Very high88Confident34 Ų3471.6 Ų71.618%0.17836%0.356CS..Hα-helixtrans-59.1-46.6174.4-70.5172.1000111.3E271 Q272 L277 L278 Q279 M340 M343 N344E271-L275 VanDerWaalsContact O-CG 3.3Å; E271-L275 WeakPolarHBondContact O-CG 3.34Å; E271-L275 PolarHBondContact O-N 2.88Å; Q272-L275 PolarHBondContact O-N 2.85Å; L275-L277 PolarHBondContact O-N 3.37Å; L275-L278 PolarHBondContact O-N 2.84Å; L275-Q279 WeakPolarHBondContact O-CB 3.43Å; L275-Q279 PolarHBondContact O-N 3.09Å; L275-M340 HydrophobicContact CB-SD 4.44Å; L275-M340 HydrophobicContact CD2-SD 3.43Å; L275-M340 WeakPolarHBondContact CD2-SD 3.27Å; L275-M340 WeakPolarHBondContact O-CE 3.43Å; L275-M343 HydrophobicContact CD2-CB 3.7Å; L275-M343 HydrophobicContact CD2-CE 4.24Å; L275-N344 HydrophobicContact CD1-CB 4.19Å; L275-N344 HydrophobicContact CD2-CB 3.65Å
276Y89.5Confident88.6Confident42 Ų4269.1 Ų69.117%0.16534%0.34CS..Hα-helixtrans-60-46.6177.3-171.3-96.6000112.2M260 P261 L264 Q272 Q273 Q279 L280M260-Y276 HydrophobicContact CE-CD1 3.92Å; M260-Y276 HydrophobicContact CE-CD2 3.45Å; M260-Y276 VanDerWaalsContact CE-CD2 3.45Å; M260-Y276 HydrophobicContact CE-CE1 3.78Å; M260-Y276 HydrophobicContact CE-CE2 3.28Å; M260-Y276 HydrophobicContact CE-CG 3.78Å; M260-Y276 VanDerWaalsContact CE-CZ 3.45Å; M260-Y276 WeakPolarHBondContact CE-O 3.31Å; M260-Y276 HydrophobicContact CG-CE2 4.28Å; P261-Y276 PolarHBondContact O-OH 3.44Å; L264-Y276 HydrophobicContact CD2-CD1 3.41Å; L264-Y276 VanDerWaalsContact CD2-CD1 3.41Å; L264-Y276 HydrophobicContact CD2-CE1 4.18Å; L264-Y276 HydrophobicContact CD2-CG 3.96Å; L264-Y276 HydrophobicContact CG-CD1 3.84Å; L264-Y276 HydrophobicContact CG-CE1 4.12Å; Q272-Y276 WeakPolarHBondContact O-CB 3.37Å; Q272-Y276 PolarHBondContact O-N 3.42Å; Q273-Y276 PolarHBondContact O-N 3.16Å; Y276-Q279 PolarHBondContact O-N 3.19Å; Y276-L280 PolarHBondContact O-N 3.24Å
277L91Very high89Confident78 Ų7862.2 Ų62.241%0.40830%0.303SS..Hα-helixtrans-63.1-43.5178.8-72.9173.7000112.1L264 Q273 K274 L275 Q279 L280 Q281L264-L277 HydrophobicContact CD1-CD2 4.1Å; Q273-L277 WeakPolarHBondContact O-CB 3.16Å; Q273-L277 VanDerWaalsContact O-CG 3.29Å; Q273-L277 WeakPolarHBondContact O-CG 3.15Å; Q273-L277 PolarHBondContact O-N 3.3Å; K274-L277 PolarHBondContact O-N 2.07Å; L275-L277 PolarHBondContact O-N 3.37Å; L277-Q279 VanDerWaalsContact C-N 3.33Å; L277-Q279 PolarHBondContact O-N 3.2Å; L277-L280 PolarHBondContact O-N 3.13Å; L277-Q281 VanDerWaalsContact O-CG 3.3Å; L277-Q281 WeakPolarHBondContact O-CG 3.41Å; L277-Q281 PolarHBondContact O-N 3.27Å
278L92Very high89.2Confident18 Ų1859.2 Ų59.29%0.09428%0.283CS..Hα-helixtrans-62.9-41.4175.5-75.5-173.8000111.7K274 L275 Q281 I282 L336 K339 M340 M343K274-L278 WeakPolarHBondContact O-CB 3.31Å; K274-L278 WeakPolarHBondContact O-CG 3.29Å; K274-L278 PolarHBondContact O-N 2.84Å; L275-L278 PolarHBondContact O-N 2.84Å; L278-Q281 PolarHBondContact O-N 3.04Å; L278-I282 VanDerWaalsContact O-CG1 3.25Å; L278-I282 WeakPolarHBondContact O-CG1 3.31Å; L278-I282 PolarHBondContact O-N 3.29Å; L278-L336 HydrophobicContact CD2-CD2 3.71Å; L278-K339 HydrophobicContact CD1-CB 3.91Å; L278-M340 HydrophobicContact CB-CE 3.47Å; L278-M340 VanDerWaalsContact CB-CE 3.47Å; L278-M340 HydrophobicContact CB-SD 4.41Å; L278-M340 HydrophobicContact CD1-CB 4.41Å; L278-M343 HydrophobicContact CD1-CE 3.08Å; L278-M343 HydrophobicContact CG-CE 4.16Å
279Q90.3Very high89.6Confident74 Ų7458 Ų5835%0.34628%0.277SS..Hα-helixtrans-63.9-44.1179.4178.9173.1-12.100110.5M260 L275 Y276 L277 Q281 I282 E283 M340M260-Q279 HydrophobicContact CE-CB 4Å; M260-Q279 HydrophobicContact CE-CG 4.04Å; M260-Q279 HydrophobicContact SD-CG 4.2Å; L275-Q279 WeakPolarHBondContact O-CB 3.43Å; L275-Q279 PolarHBondContact O-N 3.09Å; Y276-Q279 PolarHBondContact O-N 3.19Å; L277-Q279 VanDerWaalsContact C-N 3.33Å; L277-Q279 PolarHBondContact O-N 3.2Å; Q279-Q281 VanDerWaalsContact C-N 3.31Å; Q279-Q281 PolarHBondContact O-N 3.46Å; Q279-I282 PolarHBondContact O-N 2.97Å; Q279-E283 HydrophobicContact CG-CG 4.5Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.42Å; Q279-E283 PolarHBondContact NE2-OE1 3.41Å; Q279-E283 WeakPolarHBondContact O-CG 3.21Å; Q279-E283 PolarHBondContact O-N 3.13Å; Q279-M340 HydrophobicContact CB-CE 3.62Å
280L89.9Confident89.5Confident24 Ų2462.4 Ų62.413%0.12629%0.285CS..Hα-helixtrans-57.8-44.6175.6-174.768.1000111.6V257 M260 Y276 L277 E283 D284V257-L280 HydrophobicContact CB-CD1 4.3Å; V257-L280 HydrophobicContact CG2-CD1 3.92Å; M260-L280 HydrophobicContact CB-CD1 4.06Å; M260-L280 HydrophobicContact CE-CB 3.76Å; M260-L280 HydrophobicContact CE-CD1 4.46Å; M260-L280 HydrophobicContact CG-CD1 3.8Å; M260-L280 WeakPolarHBondContact SD-CA 3.32Å; M260-L280 HydrophobicContact SD-CB 3.66Å; M260-L280 HydrophobicContact SD-CD1 3.56Å; M260-L280 VanDerWaalsContact SD-CD1 3.56Å; M260-L280 HydrophobicContact SD-CG 4.23Å; Y276-L280 PolarHBondContact O-N 3.24Å; L277-L280 PolarHBondContact O-N 3.13Å; L280-E283 PolarHBondContact O-N 2.77Å; L280-D284 WeakPolarHBondContact O-CB 3.38Å; L280-D284 PolarHBondContact O-N 3.17Å
281Q90.8Very high89.2Confident89 Ų8961 Ų6142%0.41629%0.285SS..Hα-helixtrans-64.5-41.3177.1-70.3175.4-14.100112.5L277 L278 Q279 D284 I285 L336L277-Q281 VanDerWaalsContact O-CG 3.3Å; L277-Q281 WeakPolarHBondContact O-CG 3.41Å; L277-Q281 PolarHBondContact O-N 3.27Å; L278-Q281 PolarHBondContact O-N 3.04Å; Q279-Q281 VanDerWaalsContact C-N 3.31Å; Q279-Q281 PolarHBondContact O-N 3.46Å; Q281-D284 PolarHBondContact O-N 3.16Å; Q281-I285 VanDerWaalsContact O-CG1 3.28Å; Q281-I285 WeakPolarHBondContact O-CG1 3.07Å; Q281-I285 PolarHBondContact O-N 3.42Å; Q281-L336 HydrophobicContact CB-CD1 3.59Å
282I91.9Very high88.8Confident1 Ų156.1 Ų56.11%0.00527%0.273CS..Hα-helixtrans-63.3-43.4177.1-69163.7000110.6L278 Q279 I285 T286 R333 L336 I337 M340 P350L278-I282 VanDerWaalsContact O-CG1 3.25Å; L278-I282 WeakPolarHBondContact O-CG1 3.31Å; L278-I282 PolarHBondContact O-N 3.29Å; Q279-I282 PolarHBondContact O-N 2.97Å; I282-I285 PolarHBondContact O-N 3.27Å; I282-T286 VanDerWaalsContact O-CB 3.27Å; I282-T286 WeakPolarHBondContact O-CB 3.22Å; I282-T286 PolarHBondContact O-N 3.49Å; I282-T286 PolarHBondContact O-OG1 3.12Å; I282-R333 HydrophobicContact CG2-CG 4.44Å; I282-L336 HydrophobicContact CD1-CB 4.13Å; I282-L336 HydrophobicContact CG1-CB 3.65Å; I282-L336 HydrophobicContact CG1-CD1 4.29Å; I282-I337 HydrophobicContact CD1-CG1 3.88Å; I282-I337 HydrophobicContact CG1-CG1 4.21Å; I282-I337 HydrophobicContact CG2-CD1 4.49Å; I282-I337 HydrophobicContact CG2-CG1 4.24Å; I282-M340 HydrophobicContact CD1-CB 4.14Å; I282-M340 HydrophobicContact CD1-CE 3.97Å; I282-P350 HydrophobicContact CG2-CG 3.94Å
283E89.7Confident88.4Confident58 Ų5857.1 Ų57.127%0.27128%0.281SS..Hα-helixtrans-67.2-40.3177.7-70.9178.6-165.400111.8V257 M260 Q279 L280 T286 R287V257-E283 HydrophobicContact CG1-CB 3.78Å; V257-E283 WeakPolarHBondContact CG1-OE2 3.45Å; M260-E283 WeakPolarHBondContact CB-OE2 3.47Å; Q279-E283 HydrophobicContact CG-CG 4.5Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.42Å; Q279-E283 PolarHBondContact NE2-OE1 3.41Å; Q279-E283 WeakPolarHBondContact O-CG 3.21Å; Q279-E283 PolarHBondContact O-N 3.13Å; L280-E283 PolarHBondContact O-N 2.77Å; E283-T286 PolarHBondContact O-N 3.07Å; E283-R287 WeakPolarHBondContact O-CB 3.35Å; E283-R287 PolarHBondContact O-N 3.4Å
284D89.8Confident87.7Confident38 Ų3854.7 Ų54.720%0.20327%0.271CS..Hα-helixtrans-59-47173.6-96.4-33.9000112.4V257 L280 Q281 R287 K288V257-D284 HydrophobicContact CG2-CB 4.39Å; V257-D284 VanDerWaalsContact CG2-CG 3.48Å; V257-D284 WeakPolarHBondContact CG2-OD1 3.15Å; L280-D284 WeakPolarHBondContact O-CB 3.38Å; L280-D284 PolarHBondContact O-N 3.17Å; Q281-D284 PolarHBondContact O-N 3.16Å; D284-R287 PolarHBondContact O-N 3.1Å; D284-R287 IonicContact OD1-CZ 3.99Å; D284-R287 IonicContact OD1-NH1 2.69Å; D284-R287 PolarHBondContact OD1-NH1 3.36Å; D284-R287 IonicContact OD1-NH2 2.89Å; D284-R287 PolarHBondContact OD1-NH2 2.87Å; D284-K288 WeakPolarHBondContact O-CG 3.36Å; D284-K288 PolarHBondContact O-N 3.29Å
285I90.4Very high86.6Confident14 Ų1453 Ų537%0.07228%0.28CS..Hα-helixtrans-68.5-40.3177.9-64.1169000110.5Q281 I282 R287 K288 L289 L329 E332 R333 L336Q281-I285 VanDerWaalsContact O-CG1 3.28Å; Q281-I285 WeakPolarHBondContact O-CG1 3.07Å; Q281-I285 PolarHBondContact O-N 3.42Å; I282-I285 PolarHBondContact O-N 3.27Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 2.96Å; I285-K288 WeakPolarHBondContact O-CB 3.23Å; I285-K288 PolarHBondContact O-N 3.49Å; I285-L289 HydrophobicContact CG2-CD1 4.08Å; I285-L289 HydrophobicContact CG2-CG 4.37Å; I285-L289 WeakPolarHBondContact O-CG 3.42Å; I285-L289 PolarHBondContact O-N 2.92Å; I285-L329 HydrophobicContact CG2-CB 4.1Å; I285-L329 HydrophobicContact CG2-CD2 4.33Å; I285-L329 VanDerWaalsContact CG2-O 3.3Å; I285-L329 WeakPolarHBondContact CG2-O 3.21Å; I285-E332 HydrophobicContact CD1-CB 4.23Å; I285-E332 HydrophobicContact CD1-CG 3.73Å; I285-R333 HydrophobicContact CB-CB 4.46Å; I285-R333 HydrophobicContact CG2-CB 3.79Å; I285-R333 HydrophobicContact CG2-CG 4.47Å; I285-L336 HydrophobicContact CD1-CD1 3.61Å
286T90.1Very high85.7Confident8 Ų853.5 Ų53.55%0.04928%0.283CS..Hα-helixtrans-62.7-39.1176.3-59.20000111I282 E283 L289 R290I282-T286 VanDerWaalsContact O-CB 3.27Å; I282-T286 WeakPolarHBondContact O-CB 3.22Å; I282-T286 PolarHBondContact O-N 3.49Å; I282-T286 PolarHBondContact O-OG1 3.12Å; E283-T286 PolarHBondContact O-N 3.07Å; T286-L289 PolarHBondContact O-N 2.95Å; T286-R290 WeakPolarHBondContact O-CB 3.32Å; T286-R290 WeakPolarHBondContact O-CG 3.48Å; T286-R290 PolarHBondContact O-N 2.88Å
287R86.4Confident84.7Confident44 Ų4453.5 Ų53.517%0.16629%0.288CS..Hα-helixtrans-60.9-49.8171.4-171.6-169.966.6-118.9-28.3110.6F256 E283 D284 I285 L289 R290 T291F256-R287 PolarHBondContact O-NH1 2.9Å; F256-R287 VanDerWaalsContact O-NH1 3.07Å; E283-R287 WeakPolarHBondContact O-CB 3.35Å; E283-R287 PolarHBondContact O-N 3.4Å; D284-R287 PolarHBondContact O-N 3.1Å; D284-R287 IonicContact OD1-CZ 3.99Å; D284-R287 IonicContact OD1-NH1 2.69Å; D284-R287 PolarHBondContact OD1-NH1 3.36Å; D284-R287 IonicContact OD1-NH2 2.89Å; D284-R287 PolarHBondContact OD1-NH2 2.87Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 2.96Å; R287-L289 VanDerWaalsContact C-N 3.29Å; R287-L289 PolarHBondContact O-N 3.44Å; R287-R290 PolarHBondContact O-N 3.3Å; R287-R290 VanDerWaalsContact O-N 3.11Å; R287-T291 HydrophobicContact CG-CG2 3.94Å; R287-T291 WeakPolarHBondContact O-CG2 3.45Å; R287-T291 PolarHBondContact O-N 3.22Å; R287-T291 PolarHBondContact O-OG1 2.96Å
288K86.7Confident83.7Confident79 Ų7953.7 Ų53.734%0.34330%0.301SS..Hα-helixtrans-56-41.8177.3-71.7172.4-177.31760112.4D284 I285 G292 D293 L329D284-K288 WeakPolarHBondContact O-CG 3.36Å; D284-K288 PolarHBondContact O-N 3.29Å; I285-K288 WeakPolarHBondContact O-CB 3.23Å; I285-K288 PolarHBondContact O-N 3.49Å; K288-G292 PolarHBondContact O-N 2.93Å; K288-G292 VanDerWaalsContact O-N 3.13Å; K288-D293 PolarHBondContact O-N 3.49Å; K288-L329 HydrophobicContact CB-CD1 4.18Å; K288-L329 HydrophobicContact CD-CD2 4.39Å
289L87.6Confident82.5Confident18 Ų1857.2 Ų57.29%0.09432%0.32CS..Hα-helixtrans-67.4-37.6177.1-72171000112.8I285 T286 R287 R326 L329 E330I285-L289 HydrophobicContact CG2-CD1 4.08Å; I285-L289 HydrophobicContact CG2-CG 4.37Å; I285-L289 WeakPolarHBondContact O-CG 3.42Å; I285-L289 PolarHBondContact O-N 2.92Å; T286-L289 PolarHBondContact O-N 2.95Å; R287-L289 VanDerWaalsContact C-N 3.29Å; R287-L289 PolarHBondContact O-N 3.44Å; L289-R326 HydrophobicContact CD2-CG 3.83Å; L289-L329 HydrophobicContact CD2-CB 3.77Å; L289-L329 HydrophobicContact CD2-CD1 4.34Å; L289-L329 HydrophobicContact CG-CB 4.19Å; L289-E330 HydrophobicContact CD1-CG 3.94Å; L289-E330 HydrophobicContact CD2-CG 3.91Å
290R86.3Confident81.4Confident167 Ų16758.4 Ų58.463%0.6333%0.334SS*.Hα-helixtrans-77.1-41.7178.9-74.1178.8178.7172.4-0.5113.1T286 R287 G292 D352T286-R290 WeakPolarHBondContact O-CB 3.32Å; T286-R290 WeakPolarHBondContact O-CG 3.48Å; T286-R290 PolarHBondContact O-N 2.88Å; R287-R290 PolarHBondContact O-N 3.3Å; R287-R290 VanDerWaalsContact O-N 3.11Å; R290-G292 VanDerWaalsContact C-N 3.32Å; R290-D352 IonicContact CZ-OD2 2.72Å; R290-D352 IonicContact NE-OD2 3.47Å; R290-D352 PolarHBondContact NE-OD2 3.48Å; R290-D352 IonicContact NH2-OD2 3.38Å; R290-D352 PolarHBondContact NH2-OD2 3.27Å
291T83.9Confident80.3Confident93 Ų9366 Ų6657%0.57137%0.369SS*.Hα-helixtrans-76.5-20.6-179.259.10000112.7R287 D293R287-T291 HydrophobicContact CG-CG2 3.94Å; R287-T291 WeakPolarHBondContact O-CG2 3.45Å; R287-T291 PolarHBondContact O-N 3.22Å; R287-T291 PolarHBondContact O-OG1 2.96Å; T291-D293 PolarHBondContact O-N 3.34Å; T291-D293 PolarHBondContact OG1-N 3.44Å
292G79.1Confident79.2Confident41 Ų4167.4 Ų67.442%0.42338%0.375SS..  trans74.89.5-173.400000113.4K288 R290 L294K288-G292 PolarHBondContact O-N 2.93Å; K288-G292 VanDerWaalsContact O-N 3.13Å; R290-G292 VanDerWaalsContact C-N 3.32Å; G292-L294 PolarHBondContact O-N 2.86Å
293D78.8Confident78.3Confident109 Ų10971.9 Ų71.958%0.58339%0.392SS*.  trans-78.377.5170.5-176.419.9000109.7K288 T291 G295K288-D293 PolarHBondContact O-N 3.49Å; T291-D293 PolarHBondContact O-N 3.34Å; T291-D293 PolarHBondContact OG1-N 3.44Å; D293-G295 PolarHBondContact O-N 3.5Å; D293-G295 VanDerWaalsContact O-N 3.15Å
294L74.7Confident77.4Confident24 Ų2473.8 Ų73.813%0.12641%0.411CS..  trans-75.26.6-174.9-62.2173.9000113.1G292 I296 E322 R326 L329G292-L294 PolarHBondContact O-N 2.86Å; L294-I296 HydrophobicContact CB-CD1 3.69Å; L294-I296 HydrophobicContact CB-CG1 3.77Å; L294-I296 HydrophobicContact CD1-CD1 3.84Å; L294-I296 HydrophobicContact CG-CD1 4.4Å; L294-I296 PolarHBondContact O-N 2.99Å; L294-E322 HydrophobicContact CD1-CB 4.13Å; L294-R326 HydrophobicContact CD2-CB 4.23Å; L294-L329 HydrophobicContact CD2-CD1 3.77Å
295G69.8Low76.5Confident60 Ų6078 Ų7862%0.61944%0.441SS*.  trans63.221.7-177.500000113.5D293 P297D293-G295 PolarHBondContact O-N 3.5Å; D293-G295 VanDerWaalsContact O-N 3.15Å; G295-P297 WeakPolarHBondContact O-CD 2.79Å
296I71.2Confident75.6Confident45 Ų4581.1 Ų81.123%0.23146%0.464CS..  trans-74.5110179.8-73.6175.5000107.5L294 A298 R321 E322 T325L294-I296 HydrophobicContact CB-CD1 3.69Å; L294-I296 HydrophobicContact CB-CG1 3.77Å; L294-I296 HydrophobicContact CD1-CD1 3.84Å; L294-I296 HydrophobicContact CG-CD1 4.4Å; L294-I296 PolarHBondContact O-N 2.99Å; I296-A298 PolarHBondContact O-N 3.49Å; I296-R321 HydrophobicContact CD1-CG 4.47Å; I296-E322 HydrophobicContact CD1-CG 4.21Å; I296-T325 HydrophobicContact CD1-CG2 4.34Å; I296-T325 WeakPolarHBondContact CD1-OG1 3.49Å; I296-T325 HydrophobicContact CG1-CG2 3.96Å
297P69.5Low75Confident41 Ų4184.3 Ų84.327%0.26649%0.485SS..  trans-54.4129.3176.114-28.8000110.6G295 N299 E302 R303 R321G295-P297 WeakPolarHBondContact O-CD 2.79Å; P297-N299 PolarHBondContact O-N 3.33Å; P297-E302 HydrophobicContact CB-CB 4.11Å; P297-E302 HydrophobicContact CG-CB 4.23Å; P297-R303 PolarHBondContact O-NE 3.29Å; P297-R303 PolarHBondContact O-NH2 3.49Å; P297-R321 VanDerWaalsContact CG-NH2 3.32Å; P297-R321 PolarHBondContact O-NH1 2.79Å
298A69.4Low74.7Confident82 Ų8290.1 Ų90.168%0.67851%0.514SS*.SBendtrans-62-37.4178.300000110.5I296 R303I296-A298 PolarHBondContact O-N 3.49Å; A298-R303 PolarHBondContact O-NH2 3.45Å
299N66.5Low74.4Confident93 Ų9389.3 Ų89.350%0.49752%0.517SS..SBendtrans-63.7132176.5-72.7-12.4000111P297 E302 R303P297-N299 PolarHBondContact O-N 3.33Å; N299-E302 HydrophobicContact CB-CG 4.4Å; N299-R303 WeakPolarHBondContact O-CG 3.24Å; N299-R303 PolarHBondContact O-NE 2.91Å
300P66.2Low74.2Confident98 Ų9892.3 Ų92.364%0.63654%0.536SS*.SBendtrans-70.7-27.9-179.926.9-32.7000114.1R303P300-R303 WeakPolarHBondContact O-CB 3.4Å; P300-R303 VanDerWaalsContact O-CG 3.25Å; P300-R303 WeakPolarHBondContact O-CG 3.36Å; P300-R303 PolarHBondContact O-N 2.83Å
301E67.4Low74.1Confident185 Ų18591.1 Ų91.186%0.86453%0.532SS*.THydrogen-bonded Turntrans-76.7-30.3-176-63175.4170.300113R303E301-R303 PolarHBondContact O-N 2.88Å
302E67.6Low74.1Confident117 Ų11789.6 Ų89.655%0.54752%0.521SS..THydrogen-bonded Turntrans-82.44.9176.8-62.4178.8179.200112.2P297 N299P297-E302 HydrophobicContact CB-CB 4.11Å; P297-E302 HydrophobicContact CG-CB 4.23Å; N299-E302 HydrophobicContact CB-CG 4.4Å
303R73.4Confident74.4Confident96 Ų9692.7 Ų92.736%0.36254%0.536SS..SBendtrans-86.7126-179.9-49.9-176.9173.7-149.8-1.4108.4P297 A298 N299 P300 E301P297-R303 PolarHBondContact O-NE 3.29Å; P297-R303 PolarHBondContact O-NH2 3.49Å; A298-R303 PolarHBondContact O-NH2 3.45Å; N299-R303 WeakPolarHBondContact O-CG 3.24Å; N299-R303 PolarHBondContact O-NE 2.91Å; P300-R303 WeakPolarHBondContact O-CB 3.4Å; P300-R303 VanDerWaalsContact O-CG 3.25Å; P300-R303 WeakPolarHBondContact O-CG 3.36Å; P300-R303 PolarHBondContact O-N 2.83Å; E301-R303 PolarHBondContact O-N 2.88Å
304S71.2Confident74.3Confident97 Ų9795.7 Ų95.768%0.67854%0.544SS*.PPolyproline II helixtrans-57.6140.2170.9480000110.9S306S304-S306 PolarHBondContact O-N 2.98Å
305P71Confident74.6Confident126 Ų12697 Ų9782%0.81856%0.564SS**PPolyproline II helixtrans-52.5126.1176.9-27.935.2000111.5P307P305-P307 WeakPolarHBondContact O-CD 3.42Å
306S71.1Confident75.2Confident80 Ų80101.5 Ų101.556%0.55957%0.566SS**PPolyproline II helixtrans-80.4128.7-175.1165.90000110.8S304 R324S304-S306 PolarHBondContact O-N 2.98Å; S306-R324 PolarHBondContact OG-NH1 3.35Å
307P77.6Confident75.7Confident75 Ų75105.9 Ų105.949%0.48758%0.58SS.*PPolyproline II helixtrans-53.3162.1169.4-11.61.4000113.5P305 R324P305-P307 WeakPolarHBondContact O-CD 3.42Å; P307-R324 VanDerWaalsContact C-NH2 3.32Å; P307-R324 VanDerWaalsContact CB-NH2 3.27Å; P307-R324 PolarHBondContact O-NH2 3.01Å
308E79.9Confident76.2Confident167 Ų167108.2 Ų108.278%0.7859%0.59SS**PPolyproline II helixtrans-56.3142-177.2-64-170.5167.200112.2V310 N319E308-V310 PolarHBondContact O-N 2.82Å; E308-V310 VanDerWaalsContact O-N 3.16Å; E308-N319 PolarHBondContact O-ND2 2.91Å
309P81Confident76.7Confident62 Ų62106.3 Ų106.340%0.40357%0.568SS.*PPolyproline II helixtrans-59.9116.2175.3-26.436.7000111.9Y311 R317P309-Y311 HydrophobicContact CB-CD2 4.43Å; P309-Y311 HydrophobicContact CB-CE2 3.63Å; P309-R317 HydrophobicContact CB-CG 4.09Å
310V83.1Confident77.5Confident81 Ų81103 Ų10349%0.49155%0.551SS.*PPolyproline II helixtrans-92.5129.3167.8-176.50000108.2E308 L318 N319E308-V310 PolarHBondContact O-N 2.82Å; E308-V310 VanDerWaalsContact O-N 3.16Å; V310-L318 PolarHBondContact O-N 2.94Å; V310-N319 HydrophobicContact CB-CB 4.07Å; V310-N319 HydrophobicContact CG2-CB 4.3Å
311Y83.5Confident78.3Confident142 Ų142100.4 Ų100.456%0.55753%0.529SS*.BIsolated β-bridgetrans-106.9141.9179.7-63.2-89.8000110.3P309 K316 R317P309-Y311 HydrophobicContact CB-CD2 4.43Å; P309-Y311 HydrophobicContact CB-CE2 3.63Å; Y311-K316 WeakPolarHBondContact CA-O 3.3Å; Y311-R317 HydrophobicContact CD1-CB 4.17Å; Y311-R317 HydrophobicContact CE1-CB 3.95Å; Y311-R317 HydrophobicContact CE1-CG 4.4Å
312D84Confident79.1Confident61 Ų6195.8 Ų95.833%0.32651%0.507SS..  trans-71.3163.3166.2-167.51.2000110.4F314 G315 K316 L318D312-F314 PolarHBondContact O-N 2.99Å; D312-F314 VanDerWaalsContact O-N 3.13Å; D312-G315 WeakPolarHBondContact O-CA 3.17Å; D312-G315 PolarHBondContact O-N 2.86Å; D312-K316 PolarHBondContact N-O 3.02Å; D312-L318 HydrophobicContact CB-CD1 3.87Å; D312-L318 HydrophobicContact CB-CD2 4.11Å; D312-L318 HydrophobicContact CB-CG 3.95Å
313S84.9Confident79.9Confident106 Ų10693.4 Ų93.474%0.74150%0.501SS*.THydrogen-bonded Turntrans-47.7-30.8166.756.10000114G315S313-G315 VanDerWaalsContact C-N 3.29Å; S313-G315 PolarHBondContact O-N 3.08Å
314F77.5Confident80.5Confident171 Ų17191.2 Ų91.275%0.7549%0.492SS*.THydrogen-bonded Turntrans-84.67.6174.7-62.1-79.4000114.2D312 K316D312-F314 PolarHBondContact O-N 2.99Å; D312-F314 VanDerWaalsContact O-N 3.13Å; F314-K316 VanDerWaalsContact C-N 3.26Å; F314-K316 PolarHBondContact O-N 2.93Å
315G80.8Confident81.2Confident53 Ų5388.4 Ų88.455%0.54647%0.471SS..SBendtrans74.47179.400000115.2D312 S313D312-G315 WeakPolarHBondContact O-CA 3.17Å; D312-G315 PolarHBondContact O-N 2.86Å; S313-G315 VanDerWaalsContact C-N 3.29Å; S313-G315 PolarHBondContact O-N 3.08Å
316K82.2Confident82.1Confident153 Ų15387.6 Ų87.667%0.66545%0.452SS*.  trans-80.2134.7176.2-66.8-174.9-179-179.50110.6Y311 D312 F314 L318Y311-K316 WeakPolarHBondContact CA-O 3.3Å; D312-K316 PolarHBondContact N-O 3.02Å; F314-K316 VanDerWaalsContact C-N 3.26Å; F314-K316 PolarHBondContact O-N 2.93Å; K316-L318 PolarHBondContact O-N 3.21Å
317R82.7Confident82.8Confident137 Ų13788.9 Ų88.952%0.51745%0.449SS..BIsolated β-bridgetrans-73.9107.5176.1-172.3175.272.1170.36.9110P309 Y311 T320P309-R317 HydrophobicContact CB-CG 4.09Å; Y311-R317 HydrophobicContact CD1-CB 4.17Å; Y311-R317 HydrophobicContact CE1-CB 3.95Å; Y311-R317 HydrophobicContact CE1-CG 4.4Å; R317-T320 HydrophobicContact CG-CG2 4.35Å
318L79.2Confident83.4Confident91 Ų9190.8 Ų90.848%0.47646%0.455SS..  trans-77.2-32.4-179.8-64.4174.2000111.9V310 D312 K316 T320V310-L318 PolarHBondContact O-N 2.94Å; D312-L318 HydrophobicContact CB-CD1 3.87Å; D312-L318 HydrophobicContact CB-CD2 4.11Å; D312-L318 HydrophobicContact CB-CG 3.95Å; K316-L318 PolarHBondContact O-N 3.21Å; L318-T320 PolarHBondContact O-N 3.36Å
319N80.1Confident83.9Confident41 Ų4184.2 Ų84.222%0.21943%0.425CS..  trans-97.459.7-167.8-153.26.4000112.5E308 V310 R324E308-N319 PolarHBondContact O-ND2 2.91Å; V310-N319 HydrophobicContact CB-CB 4.07Å; V310-N319 HydrophobicContact CG2-CB 4.3Å; N319-R324 VanDerWaalsContact CG-NE 3.35Å; N319-R324 PolarHBondContact ND2-NH2 3.42Å; N319-R324 PolarHBondContact O-NH2 3.42Å; N319-R324 WeakPolarHBondContact OD1-CG 3.44Å; N319-R324 VanDerWaalsContact OD1-CZ 3.28Å; N319-R324 PolarHBondContact OD1-NE 3.14Å; N319-R324 PolarHBondContact OD1-NH2 2.76Å
320T83.1Confident84.3Confident25 Ų2584.9 Ų84.915%0.15342%0.423CS..  trans-86158.8174.385.30000111.3R317 L318 E322 V323 R324R317-T320 HydrophobicContact CG-CG2 4.35Å; L318-T320 PolarHBondContact O-N 3.36Å; T320-E322 WeakPolarHBondContact CB-OE2 3.19Å; T320-E322 PolarHBondContact O-N 3.48Å; T320-E322 PolarHBondContact OG1-OE2 3.07Å; T320-V323 PolarHBondContact O-N 2.93Å; T320-V323 VanDerWaalsContact O-N 3.15Å; T320-V323 WeakPolarHBondContact OG1-CG2 3.33Å; T320-V323 PolarHBondContact OG1-N 3.29Å; T320-R324 PolarHBondContact O-N 3.21Å
321R82.8Confident84.6Confident42 Ų4285 Ų8516%0.15842%0.42CS..Hα-helixtrans-58-39.1179.5-177.7-177.9-175.4-158.43.2111.8I296 P297 R324 T325I296-R321 HydrophobicContact CD1-CG 4.47Å; P297-R321 VanDerWaalsContact CG-NH2 3.32Å; P297-R321 PolarHBondContact O-NH1 2.79Å; R321-R324 PolarHBondContact O-N 3.18Å; R321-T325 WeakPolarHBondContact O-CB 3.39Å; R321-T325 WeakPolarHBondContact O-CG2 3.42Å; R321-T325 PolarHBondContact O-N 2.84Å; R321-T325 PolarHBondContact O-OG1 2.94Å
322E84.3Confident85Confident88 Ų8881.3 Ų81.341%0.41141%0.408SS..Hα-helixtrans-65.4-40.4179.4-55.271.4-150.400110.7L294 I296 T320 T325 R326L294-E322 HydrophobicContact CD1-CB 4.13Å; I296-E322 HydrophobicContact CD1-CG 4.21Å; T320-E322 WeakPolarHBondContact CB-OE2 3.19Å; T320-E322 PolarHBondContact O-N 3.48Å; T320-E322 PolarHBondContact OG1-OE2 3.07Å; E322-T325 WeakPolarHBondContact CA-OG1 3.26Å; E322-T325 PolarHBondContact O-OG1 2.98Å; E322-T325 VanDerWaalsContact O-OG1 3.08Å; E322-R326 WeakPolarHBondContact O-CB 3.41Å; E322-R326 PolarHBondContact O-N 3.34Å
323V85.2Confident85.4Confident68 Ų6879.2 Ų79.241%0.41240%0.396SS..Hα-helixtrans-67.2-44.8176.11770000110.8T320 T325 R326 Q327T320-V323 PolarHBondContact O-N 2.93Å; T320-V323 VanDerWaalsContact O-N 3.15Å; T320-V323 WeakPolarHBondContact OG1-CG2 3.33Å; T320-V323 PolarHBondContact OG1-N 3.29Å; V323-T325 PolarHBondContact O-N 3.47Å; V323-R326 PolarHBondContact O-N 3.21Å; V323-Q327 VanDerWaalsContact O-CB 3.31Å; V323-Q327 WeakPolarHBondContact O-CB 3.46Å; V323-Q327 PolarHBondContact O-N 3.26Å
324R84.4Confident85.6Confident50 Ų5075.8 Ų75.819%0.18937%0.368CS..Hα-helixtrans-62.2-45.1178.2-68-175.9-169.31312.3112.9S306 P307 N319 T320 R321 Q327 N328S306-R324 PolarHBondContact OG-NH1 3.35Å; P307-R324 VanDerWaalsContact C-NH2 3.32Å; P307-R324 VanDerWaalsContact CB-NH2 3.27Å; P307-R324 PolarHBondContact O-NH2 3.01Å; N319-R324 VanDerWaalsContact CG-NE 3.35Å; N319-R324 PolarHBondContact ND2-NH2 3.42Å; N319-R324 PolarHBondContact O-NH2 3.42Å; N319-R324 WeakPolarHBondContact OD1-CG 3.44Å; N319-R324 VanDerWaalsContact OD1-CZ 3.28Å; N319-R324 PolarHBondContact OD1-NE 3.14Å; N319-R324 PolarHBondContact OD1-NH2 2.76Å; T320-R324 PolarHBondContact O-N 3.21Å; R321-R324 PolarHBondContact O-N 3.18Å; R324-Q327 PolarHBondContact O-N 3.29Å; R324-N328 WeakPolarHBondContact O-CB 3.46Å; R324-N328 PolarHBondContact O-N 3.03Å
325T87.1Confident86.3Confident37 Ų3773.3 Ų73.323%0.22735%0.354CS..Hα-helixtrans-67.9-40.9179.945.90000111.4I296 R321 E322 V323 N328 L329I296-T325 HydrophobicContact CD1-CG2 4.34Å; I296-T325 WeakPolarHBondContact CD1-OG1 3.49Å; I296-T325 HydrophobicContact CG1-CG2 3.96Å; R321-T325 WeakPolarHBondContact O-CB 3.39Å; R321-T325 WeakPolarHBondContact O-CG2 3.42Å; R321-T325 PolarHBondContact O-N 2.84Å; R321-T325 PolarHBondContact O-OG1 2.94Å; E322-T325 WeakPolarHBondContact CA-OG1 3.26Å; E322-T325 PolarHBondContact O-OG1 2.98Å; E322-T325 VanDerWaalsContact O-OG1 3.08Å; V323-T325 PolarHBondContact O-N 3.47Å; T325-N328 PolarHBondContact O-N 2.91Å; T325-L329 WeakPolarHBondContact O-CG 3.22Å; T325-L329 PolarHBondContact O-N 3.22Å
326R88.6Confident86.9Confident110 Ų11071 Ų7142%0.41533%0.329SS..Hα-helixtrans-59.1-49.3170.8-178-174.3-65-106.9-3.2111.8L289 L294 E322 V323 N328 L329 E330L289-R326 HydrophobicContact CD2-CG 3.83Å; L294-R326 HydrophobicContact CD2-CB 4.23Å; E322-R326 WeakPolarHBondContact O-CB 3.41Å; E322-R326 PolarHBondContact O-N 3.34Å; V323-R326 PolarHBondContact O-N 3.21Å; R326-N328 VanDerWaalsContact C-N 3.29Å; R326-N328 PolarHBondContact O-N 3.15Å; R326-L329 PolarHBondContact O-N 2.79Å; R326-E330 WeakPolarHBondContact O-CG 3.43Å; R326-E330 PolarHBondContact O-N 3.41Å
327Q87.8Confident87.4Confident107 Ų10763.7 Ų63.750%0.530%0.297SS..Hα-helixtrans-60.8-39.2178.7-172.7176.41500111.6V323 R324 E330 N331V323-Q327 VanDerWaalsContact O-CB 3.31Å; V323-Q327 WeakPolarHBondContact O-CB 3.46Å; V323-Q327 PolarHBondContact O-N 3.26Å; R324-Q327 PolarHBondContact O-N 3.29Å; Q327-E330 PolarHBondContact O-N 3.12Å; Q327-N331 WeakPolarHBondContact O-CB 3.37Å; Q327-N331 PolarHBondContact O-N 3.18Å
328N88.9Confident87.7Confident114 Ų11461.2 Ų61.261%0.6129%0.294SS*.Hα-helixtrans-65.2-41.3176.3-160.831.7000112R324 T325 R326 N331 E332R324-N328 WeakPolarHBondContact O-CB 3.46Å; R324-N328 PolarHBondContact O-N 3.03Å; T325-N328 PolarHBondContact O-N 2.91Å; R326-N328 VanDerWaalsContact C-N 3.29Å; R326-N328 PolarHBondContact O-N 3.15Å; N328-N331 PolarHBondContact O-N 3.22Å; N328-E332 WeakPolarHBondContact O-CB 3.46Å; N328-E332 PolarHBondContact O-N 2.83Å
329L90.6Very high88.3Confident30 Ų3061 Ų6116%0.15729%0.289CS..Hα-helixtrans-66-38.1173.8-71.7174.7000112.2I285 K288 L289 L294 T325 R326 E332 R333I285-L329 HydrophobicContact CG2-CB 4.1Å; I285-L329 HydrophobicContact CG2-CD2 4.33Å; I285-L329 VanDerWaalsContact CG2-O 3.3Å; I285-L329 WeakPolarHBondContact CG2-O 3.21Å; K288-L329 HydrophobicContact CB-CD1 4.18Å; K288-L329 HydrophobicContact CD-CD2 4.39Å; L289-L329 HydrophobicContact CD2-CB 3.77Å; L289-L329 HydrophobicContact CD2-CD1 4.34Å; L289-L329 HydrophobicContact CG-CB 4.19Å; L294-L329 HydrophobicContact CD2-CD1 3.77Å; T325-L329 WeakPolarHBondContact O-CG 3.22Å; T325-L329 PolarHBondContact O-N 3.22Å; R326-L329 PolarHBondContact O-N 2.79Å; L329-E332 PolarHBondContact O-N 3.17Å; L329-R333 WeakPolarHBondContact O-CB 3.47Å; L329-R333 PolarHBondContact O-N 3.16Å
330E89.2Confident88.9Confident75 Ų7559.2 Ų59.235%0.3528%0.279SS..Hα-helixtrans-64.5-42174.7-74.5173178.600111.9L289 R326 Q327 R333 H334L289-E330 HydrophobicContact CD1-CG 3.94Å; L289-E330 HydrophobicContact CD2-CG 3.91Å; R326-E330 WeakPolarHBondContact O-CG 3.43Å; R326-E330 PolarHBondContact O-N 3.41Å; Q327-E330 PolarHBondContact O-N 3.12Å; E330-R333 PolarHBondContact O-N 3.38Å; E330-H334 WeakPolarHBondContact O-CB 3.47Å; E330-H334 PolarHBondContact O-N 3.08Å
331N89.5Confident89.2Confident83 Ų8361.7 Ų61.744%0.44429%0.289SS..Hα-helixtrans-65-42.2175.2-71.8-12.6000111.8Q327 N328 H334 R335Q327-N331 WeakPolarHBondContact O-CB 3.37Å; Q327-N331 PolarHBondContact O-N 3.18Å; N328-N331 PolarHBondContact O-N 3.22Å; N331-H334 WeakPolarHBondContact O-CB 3.45Å; N331-H334 PolarHBondContact O-N 2.92Å; N331-R335 PolarHBondContact O-N 2.91Å
332E91.4Very high89.6Confident65 Ų6567.8 Ų67.830%0.30432%0.319SS..Hα-helixtrans-66.4-43.3176.6-175.259.1-165.900111.2I285 N328 L329 H334 R335 L336I285-E332 HydrophobicContact CD1-CB 4.23Å; I285-E332 HydrophobicContact CD1-CG 3.73Å; N328-E332 WeakPolarHBondContact O-CB 3.46Å; N328-E332 PolarHBondContact O-N 2.83Å; L329-E332 PolarHBondContact O-N 3.17Å; E332-H334 VanDerWaalsContact C-N 3.28Å; E332-H334 PolarHBondContact O-N 3.21Å; E332-R335 WeakPolarHBondContact O-CB 3.49Å; E332-R335 PolarHBondContact O-N 3.34Å; E332-R335 IonicContact OE1-CZ 3.66Å; E332-R335 IonicContact OE1-NE 2.98Å; E332-R335 PolarHBondContact OE1-NE 3.34Å; E332-R335 IonicContact OE1-NH2 3.59Å; E332-R335 PolarHBondContact OE1-NH2 2.75Å; E332-R335 IonicContact OE2-CZ 2.69Å; E332-R335 IonicContact OE2-NE 3.59Å; E332-R335 PolarHBondContact OE2-NE 2.69Å; E332-R335 IonicContact OE2-NH2 2.77Å; E332-L336 WeakPolarHBondContact O-CG 3.37Å; E332-L336 PolarHBondContact O-N 3.23Å
333R92.3Very high89.8Confident17 Ų1767.5 Ų67.56%0.06432%0.319CS..Hα-helixtrans-55.9-45.1171.7-174.6-178.564.1167.2-0.1111.2I282 I285 L329 E330 L336 I337 D352I282-R333 HydrophobicContact CG2-CG 4.44Å; I285-R333 HydrophobicContact CB-CB 4.46Å; I285-R333 HydrophobicContact CG2-CB 3.79Å; I285-R333 HydrophobicContact CG2-CG 4.47Å; L329-R333 WeakPolarHBondContact O-CB 3.47Å; L329-R333 PolarHBondContact O-N 3.16Å; E330-R333 PolarHBondContact O-N 3.38Å; R333-L336 PolarHBondContact O-N 3.48Å; R333-I337 HydrophobicContact CG-CD1 3.82Å; R333-I337 VanDerWaalsContact O-CG1 3.3Å; R333-I337 WeakPolarHBondContact O-CG1 3.37Å; R333-I337 PolarHBondContact O-N 3.41Å; R333-D352 PolarHBondContact NH2-O 3.43Å
334H91Very high89.8Confident34 Ų3466.5 Ų66.516%0.15731%0.311CS..Hα-helixtrans-60.2-46.1177.8173.755000111.8E330 N331 E332 L336 I337 L338 Y353 P356E330-H334 WeakPolarHBondContact O-CB 3.47Å; E330-H334 PolarHBondContact O-N 3.08Å; N331-H334 WeakPolarHBondContact O-CB 3.45Å; N331-H334 PolarHBondContact O-N 2.92Å; E332-H334 VanDerWaalsContact C-N 3.28Å; E332-H334 PolarHBondContact O-N 3.21Å; H334-L336 VanDerWaalsContact C-N 3.31Å; H334-L336 PolarHBondContact O-N 2.85Å; H334-I337 PolarHBondContact O-N 3.24Å; H334-L338 PolarHBondContact O-N 3.14Å; H334-Y353 HydrophobicContact CB-CE2 4.06Å; H334-Y353 PolarHBondContact CE1-OH 3.12Å; H334-Y353 AromaticContact ND1-CE2 3.73Å; H334-Y353 AromaticContact ND1-CZ 3.64Å; H334-Y353 PolarHBondContact ND1-OH 3.35Å; H334-P356 VanDerWaalsContact CD2-CG 3.43Å; H334-P356 WeakPolarHBondContact CD2-CG 3.43Å; H334-P356 VanDerWaalsContact CE1-CD 3.41Å; H334-P356 WeakPolarHBondContact CE1-CD 3.5Å; H334-P356 VanDerWaalsContact ND1-CD 3.31Å; H334-P356 WeakPolarHBondContact ND1-CD 3.47Å; H334-P356 VanDerWaalsContact NE2-CG 3.31Å; H334-P356 WeakPolarHBondContact NE2-CG 3.35Å
335R92.2Very high90Very high119 Ų11969.8 Ų69.845%0.44934%0.339SS..Hα-helixtrans-57.6-43177.2-170.4179.877109.93.6112.3N331 E332 K339N331-R335 PolarHBondContact O-N 2.91Å; E332-R335 WeakPolarHBondContact O-CB 3.49Å; E332-R335 PolarHBondContact O-N 3.34Å; E332-R335 IonicContact OE1-CZ 3.66Å; E332-R335 IonicContact OE1-NE 2.98Å; E332-R335 PolarHBondContact OE1-NE 3.34Å; E332-R335 IonicContact OE1-NH2 3.59Å; E332-R335 PolarHBondContact OE1-NH2 2.75Å; E332-R335 IonicContact OE2-CZ 2.69Å; E332-R335 IonicContact OE2-NE 3.59Å; E332-R335 PolarHBondContact OE2-NE 2.69Å; E332-R335 IonicContact OE2-NH2 2.77Å; R335-K339 PolarHBondContact O-N 3.45Å
336L92.7Very high90.2Very high4 Ų474.8 Ų74.82%0.02136%0.363CS..Hα-helixtrans-70.6-37.5178.1-62.5176.8000112.5L278 Q281 I282 I285 E332 R333 H334 L338 K339 M340L278-L336 HydrophobicContact CD2-CD2 3.71Å; Q281-L336 HydrophobicContact CB-CD1 3.59Å; I282-L336 HydrophobicContact CD1-CB 4.13Å; I282-L336 HydrophobicContact CG1-CB 3.65Å; I282-L336 HydrophobicContact CG1-CD1 4.29Å; I285-L336 HydrophobicContact CD1-CD1 3.61Å; E332-L336 WeakPolarHBondContact O-CG 3.37Å; E332-L336 PolarHBondContact O-N 3.23Å; R333-L336 PolarHBondContact O-N 3.48Å; H334-L336 VanDerWaalsContact C-N 3.31Å; H334-L336 PolarHBondContact O-N 2.85Å; L336-L338 VanDerWaalsContact C-N 3.34Å; L336-K339 PolarHBondContact O-N 2.94Å; L336-M340 WeakPolarHBondContact O-CB 3.43Å; L336-M340 PolarHBondContact O-N 3.33Å
337I91.7Very high90.2Very high0 Ų071.3 Ų71.30%035%0.35CS..Hα-helixtrans-63.5-41176.1-72.3167.8000110.9I282 R333 H334 M340 Q341 Y347 P349 Y353I282-I337 HydrophobicContact CD1-CG1 3.88Å; I282-I337 HydrophobicContact CG1-CG1 4.21Å; I282-I337 HydrophobicContact CG2-CD1 4.49Å; I282-I337 HydrophobicContact CG2-CG1 4.24Å; R333-I337 HydrophobicContact CG-CD1 3.82Å; R333-I337 VanDerWaalsContact O-CG1 3.3Å; R333-I337 WeakPolarHBondContact O-CG1 3.37Å; R333-I337 PolarHBondContact O-N 3.41Å; H334-I337 PolarHBondContact O-N 3.24Å; I337-M340 WeakPolarHBondContact O-CB 3.29Å; I337-M340 PolarHBondContact O-N 3.35Å; I337-Q341 HydrophobicContact CG2-CG 4.3Å; I337-Q341 WeakPolarHBondContact O-CG 3.34Å; I337-Q341 PolarHBondContact O-N 2.93Å; I337-Y347 HydrophobicContact CG2-CE1 4.35Å; I337-P349 HydrophobicContact CG2-CB 4.13Å; I337-P349 HydrophobicContact CG2-CG 3.94Å; I337-Y353 HydrophobicContact CD1-CD1 3.84Å; I337-Y353 HydrophobicContact CD1-CD2 3.36Å; I337-Y353 HydrophobicContact CD1-CE1 4.07Å; I337-Y353 HydrophobicContact CD1-CE2 3.66Å; I337-Y353 HydrophobicContact CD1-CG 3.43Å; I337-Y353 VanDerWaalsContact CD1-CG 3.43Å; I337-Y353 HydrophobicContact CG2-CD1 4.34Å; I337-Y353 HydrophobicContact CG2-CE1 3.73Å
338L90.3Very high90.2Very high86 Ų8674.9 Ų74.945%0.4536%0.364SS..Hα-helixtrans-60.2-47.9175.5-70.8178.4000111.5H334 L336 M340 Q341 E342H334-L338 PolarHBondContact O-N 3.14Å; L336-L338 VanDerWaalsContact C-N 3.34Å; L338-M340 VanDerWaalsContact C-N 3.27Å; L338-M340 PolarHBondContact O-N 3.3Å; L338-Q341 PolarHBondContact O-N 3.25Å; L338-E342 WeakPolarHBondContact O-CB 3.37Å; L338-E342 PolarHBondContact O-N 3Å
339K92.3Very high90.1Very high87 Ų8771.5 Ų71.538%0.37835%0.348SS..Hα-helixtrans-59.8-37.3175.1-70.1-177.2175.9-168.60112.8L278 R335 L336 M343L278-K339 HydrophobicContact CD1-CB 3.91Å; R335-K339 PolarHBondContact O-N 3.45Å; L336-K339 PolarHBondContact O-N 2.94Å; K339-M343 PolarHBondContact O-N 3.16Å
340M91.3Very high89.8Confident2 Ų271.7 Ų71.71%0.0135%0.351CS..Hα-helixtrans-67.2-43.1176.7-177.469.380.600111.8L275 L278 Q279 I282 L336 I337 L338 E342 M343 N344 Y347L275-M340 HydrophobicContact CB-SD 4.44Å; L275-M340 HydrophobicContact CD2-SD 3.43Å; L275-M340 WeakPolarHBondContact CD2-SD 3.27Å; L275-M340 WeakPolarHBondContact O-CE 3.43Å; L278-M340 HydrophobicContact CB-CE 3.47Å; L278-M340 VanDerWaalsContact CB-CE 3.47Å; L278-M340 HydrophobicContact CB-SD 4.41Å; L278-M340 HydrophobicContact CD1-CB 4.41Å; Q279-M340 HydrophobicContact CB-CE 3.62Å; I282-M340 HydrophobicContact CD1-CB 4.14Å; I282-M340 HydrophobicContact CD1-CE 3.97Å; L336-M340 WeakPolarHBondContact O-CB 3.43Å; L336-M340 PolarHBondContact O-N 3.33Å; I337-M340 WeakPolarHBondContact O-CB 3.29Å; I337-M340 PolarHBondContact O-N 3.35Å; L338-M340 VanDerWaalsContact C-N 3.27Å; L338-M340 PolarHBondContact O-N 3.3Å; M340-E342 VanDerWaalsContact C-N 3.32Å; M340-M343 PolarHBondContact O-N 3.41Å; M340-N344 PolarHBondContact O-N 2.87Å; M340-Y347 HydrophobicContact CB-CD1 4.01Å; M340-Y347 HydrophobicContact CB-CE1 4.1Å; M340-Y347 HydrophobicContact CB-CG 4.4Å; M340-Y347 HydrophobicContact CE-CE2 4.27Å; M340-Y347 HydrophobicContact CG-CD1 3.3Å; M340-Y347 HydrophobicContact CG-CD2 3.52Å; M340-Y347 HydrophobicContact CG-CE1 3.59Å; M340-Y347 HydrophobicContact CG-CE2 3.81Å; M340-Y347 HydrophobicContact CG-CG 3.25Å; M340-Y347 HydrophobicContact SD-CD2 4.16Å; M340-Y347 HydrophobicContact SD-CE2 4.49Å; M340-Y347 HydrophobicContact SD-CG 4.33Å
341Q90.4Very high89.4Confident78 Ų7873.4 Ų73.436%0.36437%0.371SS..Hα-helixtrans-67.4-34.4178.7-73.5-177.9-4500112.2I337 L338 N344 Y347I337-Q341 HydrophobicContact CG2-CG 4.3Å; I337-Q341 WeakPolarHBondContact O-CG 3.34Å; I337-Q341 PolarHBondContact O-N 2.93Å; L338-Q341 PolarHBondContact O-N 3.25Å; Q341-N344 CarbonylContact O-C 3.5Å; Q341-Y347 HydrophobicContact CG-CD1 4.12Å
342E90.3Very high89.1Confident169 Ų16973.2 Ų73.279%0.7937%0.37SS*.Hα-helixtrans-64.5-44.9174.9-176.6173.9-165.700111.9L338 M340L338-E342 WeakPolarHBondContact O-CB 3.37Å; L338-E342 PolarHBondContact O-N 3Å; M340-E342 VanDerWaalsContact C-N 3.32Å
343M88.1Confident88.9Confident82 Ų8271.1 Ų71.140%0.40436%0.36SS..Hα-helixtrans-80.6-32.2179-70-170.5-66.900113.7K274 L275 L278 K339 M340K274-M343 HydrophobicContact CB-CE 4.35Å; K274-M343 HydrophobicContact CB-SD 4.32Å; L275-M343 HydrophobicContact CD2-CB 3.7Å; L275-M343 HydrophobicContact CD2-CE 4.24Å; L278-M343 HydrophobicContact CD1-CE 3.08Å; L278-M343 HydrophobicContact CG-CE 4.16Å; K339-M343 PolarHBondContact O-N 3.16Å; M340-M343 PolarHBondContact O-N 3.41Å
344N87Confident88.3Confident48 Ų4878.7 Ų78.726%0.25739%0.393SS..  trans-131.7101.7-179.7-174.6-1.9000111.5L275 M340 Q341 I346 Y347L275-N344 HydrophobicContact CD1-CB 4.19Å; L275-N344 HydrophobicContact CD2-CB 3.65Å; M340-N344 PolarHBondContact O-N 2.87Å; Q341-N344 CarbonylContact O-C 3.5Å; N344-I346 PolarHBondContact O-N 2.83Å; N344-I346 WeakPolarHBondContact OD1-CA 3.44Å; N344-I346 VanDerWaalsContact OD1-CB 3.31Å; N344-I346 WeakPolarHBondContact OD1-CB 3.44Å; N344-I346 PolarHBondContact OD1-N 3.05Å; N344-Y347 VanDerWaalsContact O-CB 3.26Å; N344-Y347 WeakPolarHBondContact O-CB 3.36Å; N344-Y347 PolarHBondContact O-N 3.48Å; N344-Y347 VanDerWaalsContact O-N 3.11Å
345P88Confident87.7Confident119 Ų11980.6 Ų80.677%0.77341%0.409SS*.THydrogen-bonded Turntrans-69-15.2178.728-34.7000113.5Y347P345-Y347 VanDerWaalsContact C-N 3.31Å
346I90.7Very high86.7Confident142 Ų14277.2 Ų77.273%0.72840%0.402SS*.THydrogen-bonded Turntrans-82-14.6177.4-54172.4000110.9N344 K348N344-I346 PolarHBondContact O-N 2.83Å; N344-I346 WeakPolarHBondContact OD1-CA 3.44Å; N344-I346 VanDerWaalsContact OD1-CB 3.31Å; N344-I346 WeakPolarHBondContact OD1-CB 3.44Å; N344-I346 PolarHBondContact OD1-N 3.05Å; I346-K348 PolarHBondContact O-N 3.2Å
347Y88.5Confident85.4Confident36 Ų3683.1 Ų83.114%0.14143%0.433CS..  trans-62.2126.8-177.2178.2-105.9000112.2I337 M340 Q341 N344 P345 P349I337-Y347 HydrophobicContact CG2-CE1 4.35Å; M340-Y347 HydrophobicContact CB-CD1 4.01Å; M340-Y347 HydrophobicContact CB-CE1 4.1Å; M340-Y347 HydrophobicContact CB-CG 4.4Å; M340-Y347 HydrophobicContact CE-CE2 4.27Å; M340-Y347 HydrophobicContact CG-CD1 3.3Å; M340-Y347 HydrophobicContact CG-CD2 3.52Å; M340-Y347 HydrophobicContact CG-CE1 3.59Å; M340-Y347 HydrophobicContact CG-CE2 3.81Å; M340-Y347 HydrophobicContact CG-CG 3.25Å; M340-Y347 HydrophobicContact SD-CD2 4.16Å; M340-Y347 HydrophobicContact SD-CE2 4.49Å; M340-Y347 HydrophobicContact SD-CG 4.33Å; Q341-Y347 HydrophobicContact CG-CD1 4.12Å; N344-Y347 VanDerWaalsContact O-CB 3.26Å; N344-Y347 WeakPolarHBondContact O-CB 3.36Å; N344-Y347 PolarHBondContact O-N 3.48Å; N344-Y347 VanDerWaalsContact O-N 3.11Å; P345-Y347 VanDerWaalsContact C-N 3.31Å; Y347-P349 HydrophobicContact CD1-CG 4.39Å; Y347-P349 HydrophobicContact CE1-CB 4.34Å; Y347-P349 HydrophobicContact CE1-CG 4.19Å
348K87.4Confident84Confident183 Ų18389.3 Ų89.380%0.79647%0.466SS*.  trans-101.5114.9174.1-67-179.1-177.2177.30109.3I346I346-K348 PolarHBondContact O-N 3.2Å
349P87.7Confident83Confident43 Ų4392.4 Ų92.428%0.27947%0.472SS..  trans-58.1155176.9-25.534.4000113.1I337 Y347 Y353I337-P349 HydrophobicContact CG2-CB 4.13Å; I337-P349 HydrophobicContact CG2-CG 3.94Å; Y347-P349 HydrophobicContact CD1-CG 4.39Å; Y347-P349 HydrophobicContact CE1-CB 4.34Å; Y347-P349 HydrophobicContact CE1-CG 4.19Å; P349-Y353 HydrophobicContact CB-CD1 3.49Å; P349-Y353 VanDerWaalsContact CB-CD1 3.49Å; P349-Y353 HydrophobicContact CB-CE1 4.03Å; P349-Y353 HydrophobicContact CB-CG 4.32Å; P349-Y353 HydrophobicContact CG-CD1 4.22Å; P349-Y353 HydrophobicContact CG-CE1 4.3Å
350P84Confident82.5Confident33 Ų3391 Ų9121%0.21447%0.467CS..  trans-57.6147177-23.533.9000112.4I282 D352 Y353I282-P350 HydrophobicContact CG2-CG 3.94Å; P350-D352 PolarHBondContact O-N 3.02Å; P350-D352 VanDerWaalsContact O-N 3.15Å; P350-Y353 VanDerWaalsContact O-CB 3.24Å; P350-Y353 WeakPolarHBondContact O-CB 3.25Å; P350-Y353 PolarHBondContact O-N 3.08Å
351S81.4Confident82.3Confident111 Ų11193.8 Ų93.878%0.77649%0.487SS*.THydrogen-bonded Turntrans-60.6-27.1-17853.40000114.7Y353S351-Y353 VanDerWaalsContact C-N 3.25Å; S351-Y353 PolarHBondContact O-N 3.35Å
352D82.8Confident82.4Confident79 Ų7993.7 Ų93.742%0.42249%0.487SS..THydrogen-bonded Turntrans-80.5-6176.2-58.2-47.5000113.2R290 R333 P350 K354R290-D352 IonicContact CZ-OD2 2.72Å; R290-D352 IonicContact NE-OD2 3.47Å; R290-D352 PolarHBondContact NE-OD2 3.48Å; R290-D352 IonicContact NH2-OD2 3.38Å; R290-D352 PolarHBondContact NH2-OD2 3.27Å; R333-D352 PolarHBondContact NH2-O 3.43Å; P350-D352 PolarHBondContact O-N 3.02Å; P350-D352 VanDerWaalsContact O-N 3.15Å; D352-K354 PolarHBondContact O-N 3.3Å
353Y86.5Confident82.5Confident22 Ų2289.5 Ų89.59%0.08647%0.466CS..  trans-82.8115.5177.1170.5-107.9000109.8H334 I337 P349 P350 S351 P355H334-Y353 HydrophobicContact CB-CE2 4.06Å; H334-Y353 PolarHBondContact CE1-OH 3.12Å; H334-Y353 AromaticContact ND1-CE2 3.73Å; H334-Y353 AromaticContact ND1-CZ 3.64Å; H334-Y353 PolarHBondContact ND1-OH 3.35Å; I337-Y353 HydrophobicContact CD1-CD1 3.84Å; I337-Y353 HydrophobicContact CD1-CD2 3.36Å; I337-Y353 HydrophobicContact CD1-CE1 4.07Å; I337-Y353 HydrophobicContact CD1-CE2 3.66Å; I337-Y353 HydrophobicContact CD1-CG 3.43Å; I337-Y353 VanDerWaalsContact CD1-CG 3.43Å; I337-Y353 HydrophobicContact CG2-CD1 4.34Å; I337-Y353 HydrophobicContact CG2-CE1 3.73Å; P349-Y353 HydrophobicContact CB-CD1 3.49Å; P349-Y353 VanDerWaalsContact CB-CD1 3.49Å; P349-Y353 HydrophobicContact CB-CE1 4.03Å; P349-Y353 HydrophobicContact CB-CG 4.32Å; P349-Y353 HydrophobicContact CG-CD1 4.22Å; P349-Y353 HydrophobicContact CG-CE1 4.3Å; P350-Y353 VanDerWaalsContact O-CB 3.24Å; P350-Y353 WeakPolarHBondContact O-CB 3.25Å; P350-Y353 PolarHBondContact O-N 3.08Å; S351-Y353 VanDerWaalsContact C-N 3.25Å; S351-Y353 PolarHBondContact O-N 3.35Å; Y353-P355 HydrophobicContact CD1-CG 4.29Å; Y353-P355 HydrophobicContact CE1-CB 4.26Å; Y353-P355 HydrophobicContact CE1-CG 3.66Å
354K81.1Confident82.7Confident176 Ų17686.2 Ų86.277%0.76545%0.451SS*.  trans-105.5113.3167.2-63.8-178.3-177.6179.70106D352D352-K354 PolarHBondContact O-N 3.3Å
355P77.9Confident83Confident73 Ų7390.6 Ų90.647%0.47446%0.464SS..  trans-50.1130.9172.6-22.729.6000108.8Y353 L357Y353-P355 HydrophobicContact CD1-CG 4.29Å; Y353-P355 HydrophobicContact CE1-CB 4.26Å; Y353-P355 HydrophobicContact CE1-CG 3.66Å; P355-L357 PolarHBondContact O-N 3.22Å; P355-L357 VanDerWaalsContact O-N 3.1Å
356P70.8Confident83.1Confident48 Ų4885.2 Ų85.231%0.31243%0.429SS..  trans-57.1123.5170.624.3-30000106.8H334 N358H334-P356 VanDerWaalsContact CD2-CG 3.43Å; H334-P356 WeakPolarHBondContact CD2-CG 3.43Å; H334-P356 VanDerWaalsContact CE1-CD 3.41Å; H334-P356 WeakPolarHBondContact CE1-CD 3.5Å; H334-P356 VanDerWaalsContact ND1-CD 3.31Å; H334-P356 WeakPolarHBondContact ND1-CD 3.47Å; H334-P356 VanDerWaalsContact NE2-CG 3.31Å; H334-P356 WeakPolarHBondContact NE2-CG 3.35Å; P356-N358 PolarHBondContact O-N 3.15Å
357L65.7Low83Confident129 Ų12980.1 Ų80.168%0.67541%0.405SS*.  trans-71.472.7166.8-83.383.5000106.9P355 R359P355-L357 PolarHBondContact O-N 3.22Å; P355-L357 VanDerWaalsContact O-N 3.1Å; L357-R359 PolarHBondContact O-N 2.76Å
358N62.4Low82.9Confident129 Ų12980.3 Ų80.369%0.6941%0.407SS*.  trans-7070.8163.7-81.3-2000106.9P356 M360P356-N358 PolarHBondContact O-N 3.15Å; N358-M360 VanDerWaalsContact C-N 3.32Å; N358-M360 PolarHBondContact O-N 2.84Å
359R68.5Low82.7Confident151 Ų15177.9 Ų77.957%0.5740%0.403SS*.  trans-66.7103.9161.2-68.5-176.5179.8133.9-0.6104.7L357 S361 A432L357-R359 PolarHBondContact O-N 2.76Å; R359-S361 PolarHBondContact O-N 3.19Å; R359-A432 WeakPolarHBondContact CA-O 3.11Å
360M81.4Confident82.7Confident57 Ų5782.7 Ų82.728%0.28142%0.422SS..EExtended strand (participates in β ladder)trans-57.1136.8170.354.9172.67200108.5N358 T431 A432 A435 L438N358-M360 VanDerWaalsContact C-N 3.32Å; N358-M360 PolarHBondContact O-N 2.84Å; M360-T431 WeakPolarHBondContact O-CA 3.37Å; M360-A432 HydrophobicContact CG-CB 3.94Å; M360-A432 WeakPolarHBondContact CG-O 3.43Å; M360-A432 PolarHBondContact N-O 3.39Å; M360-A432 VanDerWaalsContact N-O 3.16Å; M360-A432 PolarHBondContact O-N 3.1Å; M360-A432 HydrophobicContact SD-CB 4.25Å; M360-A435 VanDerWaalsContact CE-CA 3.4Å; M360-A435 HydrophobicContact CE-CB 3.83Å; M360-A435 WeakPolarHBondContact SD-CA 3.44Å; M360-A435 HydrophobicContact SD-CB 4.27Å; M360-A435 PolarHBondContact SD-N 2.82Å; M360-A435 VanDerWaalsContact SD-N 3.36Å; M360-L438 HydrophobicContact CB-CD2 3.95Å; M360-L438 HydrophobicContact CG-CB 4.36Å; M360-L438 HydrophobicContact CG-CD2 3.85Å; M360-L438 HydrophobicContact SD-CB 3.6Å; M360-L438 HydrophobicContact SD-CD2 3.6Å; M360-L438 HydrophobicContact SD-CG 4.19Å
361S88.5Confident82.6Confident62 Ų6284.1 Ų84.143%0.43443%0.425SS..EExtended strand (participates in β ladder)trans-136.3134.2-174.163.40000110.4R359 Y429 I430R359-S361 PolarHBondContact O-N 3.19Å; S361-Y429 VanDerWaalsContact CB-OH 3.23Å; S361-Y429 WeakPolarHBondContact CB-OH 3.27Å; S361-Y429 PolarHBondContact OG-OH 2.65Å; S361-I430 CarbonylContact C-O 3.57Å; S361-I430 WeakPolarHBondContact CA-O 3.3Å
362E91.1Very high82.7Confident75 Ų7583.7 Ų83.735%0.3542%0.42SS..EExtended strand (participates in β ladder)trans-129144179.2-167.3163.7165.300110.4I430 L438 V442E362-I430 PolarHBondContact N-O 3.45Å; E362-I430 PolarHBondContact O-N 3.34Å; E362-L438 HydrophobicContact CB-CD1 4.01Å; E362-L438 HydrophobicContact CB-CD2 4.06Å; E362-L438 HydrophobicContact CB-CG 4.15Å; E362-V442 HydrophobicContact CB-CG2 4.22Å; E362-V442 VanDerWaalsContact CD-CG2 3.42Å; E362-V442 HydrophobicContact CG-CG2 4.01Å; E362-V442 WeakPolarHBondContact OE2-CG2 3.34Å
363K92.5Very high82.8Confident81 Ų8185.3 Ų85.335%0.35243%0.425SS..EExtended strand (participates in β ladder)trans-110.1114179-67-174.7-178.9-164.80108.7E424 Y429K363-E424 IonicContact NZ-OE1 2.7Å; K363-E424 PolarHBondContact NZ-OE1 3.13Å; K363-E424 IonicContact NZ-OE2 3.14Å; K363-E424 PolarHBondContact NZ-OE2 3.42Å; K363-Y429 HydrophobicContact CG-CD2 4.01Å
364V93.4Very high82.7Confident14 Ų1485.7 Ų85.79%0.08543%0.428CS..EExtended strand (participates in β ladder)trans-100.7114.4173.9-177.10000108.8H427 A428 I430 V442 I445 I449V364-H427 CarbonylContact O-C 3.57Å; V364-H427 WeakPolarHBondContact O-CA 3.37Å; V364-H427 WeakPolarHBondContact O-CB 3.35Å; V364-A428 HydrophobicContact CB-CB 4.48Å; V364-A428 PolarHBondContact N-O 3.45Å; V364-A428 PolarHBondContact O-N 2.86Å; V364-I430 HydrophobicContact CG2-CD1 3.75Å; V364-V442 HydrophobicContact CG2-CB 4.31Å; V364-V442 HydrophobicContact CG2-CG1 3.9Å; V364-V442 HydrophobicContact CG2-CG2 3.99Å; V364-I445 HydrophobicContact CG1-CG2 4.1Å; V364-I449 HydrophobicContact CG1-CD1 4.31Å
365Y92.2Very high83.1Confident139 Ų13982.8 Ų82.855%0.54542%0.421SS..EExtended strand (participates in β ladder)trans-76.3138.2-179.8-66.2-75.1000111.4P425 H427Y365-P425 HydrophobicContact CD1-CG 3.77Å; Y365-P425 HydrophobicContact CE1-CG 3.77Å; Y365-H427 HydrophobicContact CD1-CB 3.95Å; Y365-H427 HydrophobicContact CE1-CB 4.35Å
366I91.6Very high83.6Confident7 Ų779.7 Ų79.74%0.03640%0.4CS..  trans-109119.1-179-60.8166.8000108.1Q368 F376 L380 L426 A428 I449I366-Q368 PolarHBondContact O-N 2.87Å; I366-F376 HydrophobicContact CG2-CB 3.53Å; I366-F376 HydrophobicContact CG2-CD1 4.25Å; I366-F376 HydrophobicContact CG2-CD2 3.76Å; I366-F376 HydrophobicContact CG2-CG 3.58Å; I366-L380 HydrophobicContact CD1-CD1 3.66Å; I366-L426 HydrophobicContact CB-CB 4.43Å; I366-L426 HydrophobicContact CB-CD2 3.95Å; I366-L426 HydrophobicContact CB-CG 4.09Å; I366-L426 HydrophobicContact CD1-CD2 4.16Å; I366-L426 HydrophobicContact CD1-CG 4.06Å; I366-L426 HydrophobicContact CG2-CD2 3.81Å; I366-L426 HydrophobicContact CG2-CG 4.49Å; I366-L426 PolarHBondContact N-O 3.1Å; I366-A428 HydrophobicContact CD1-CB 4.49Å; I366-I449 HydrophobicContact CG1-CD1 3.94Å
367P87.7Confident84.6Confident35 Ų3578.9 Ų78.923%0.22740%0.395CS..  trans-76.369.2-174.831.8-35.8000112.1D369 F376 I449 L453P367-D369 VanDerWaalsContact C-N 3.35Å; P367-F376 WeakPolarHBondContact O-CE2 3.32Å; P367-I449 HydrophobicContact CG-CG2 4.29Å; P367-L453 HydrophobicContact CG-CD1 4.18Å
368Q86Confident85.8Confident40 Ų4074.8 Ų74.819%0.18738%0.384CS..THydrogen-bonded Turntrans-75.8-24.1174.471.4-179.1-6.600113I366 E370 H371 P372 K404 L426I366-Q368 PolarHBondContact O-N 2.87Å; Q368-E370 VanDerWaalsContact C-N 3.35Å; Q368-H371 CarbonylContact O-C 3.59Å; Q368-P372 WeakPolarHBondContact O-CA 3.18Å; Q368-K404 PolarHBondContact NE2-O 3.39Å; Q368-K404 PolarHBondContact OE1-O 2.99Å; Q368-L426 HydrophobicContact CB-CD2 4.26Å; Q368-L426 HydrophobicContact CG-CB 4.14Å
369D84.3Confident87.2Confident132 Ų13269.2 Ų69.271%0.70635%0.354SS*.THydrogen-bonded Turntrans-74.5-30.1-176.1-64.2-23.1000111.2P367P367-D369 VanDerWaalsContact C-N 3.35Å
370E87Confident88.3Confident144 Ų14462.3 Ų62.367%0.67333%0.328SS*.THydrogen-bonded Turntrans-79.3-34.9176.4-64.7174.4-177.400111.8Q368Q368-E370 VanDerWaalsContact C-N 3.35Å
371H82.6Confident88.9Confident62 Ų6262.4 Ų62.429%0.28733%0.329SS..  trans-132.370.4-176-67.5-72.6000112.4Q368 E373 L374 F376 L453Q368-H371 CarbonylContact O-C 3.59Å; H371-E373 WeakPolarHBondContact CA-OE2 3.47Å; H371-E373 IonicContact CE1-OE1 3.15Å; H371-E373 IonicContact CG-OE1 2.78Å; H371-E373 IonicContact ND1-OE1 2.65Å; H371-E373 PolarHBondContact ND1-OE1 3Å; H371-E373 PolarHBondContact O-N 3.22Å; H371-L374 HydrophobicContact CB-CB 4.38Å; H371-L374 HydrophobicContact CB-CD1 4.06Å; H371-L374 HydrophobicContact CB-CG 4.32Å; H371-L374 PolarHBondContact O-N 3.06Å; H371-F376 HydrophobicContact CB-CE2 4.25Å; H371-F376 HydrophobicContact CB-CZ 4.22Å; H371-L453 HydrophobicContact CB-CD2 4.47Å; H371-L453 WeakPolarHBondContact CD2-CD2 3.37Å
372P83.7Confident89Confident102 Ų10260.1 Ų60.166%0.66232%0.315SS*.THydrogen-bonded Turntrans-65.7-18.317928.2-36.3000113.3Q368 L374Q368-P372 WeakPolarHBondContact O-CA 3.18Å; P372-L374 VanDerWaalsContact C-N 3.3Å
373E84.5Confident89.1Confident114 Ų11456.9 Ų56.953%0.53330%0.301SS..THydrogen-bonded Turntrans-70.9-24.117668.4-77-17900113.3H371H371-E373 WeakPolarHBondContact CA-OE2 3.47Å; H371-E373 IonicContact CE1-OE1 3.15Å; H371-E373 IonicContact CG-OE1 2.78Å; H371-E373 IonicContact ND1-OE1 2.65Å; H371-E373 PolarHBondContact ND1-OE1 3Å; H371-E373 PolarHBondContact O-N 3.22Å
374L84.7Confident89Confident29 Ų2962 Ų6215%0.15232%0.318CS..SBendtrans-94.9126.3-176.5-66178.4000112H371 P372 F376 A452 L453 E457H371-L374 HydrophobicContact CB-CB 4.38Å; H371-L374 HydrophobicContact CB-CD1 4.06Å; H371-L374 HydrophobicContact CB-CG 4.32Å; H371-L374 PolarHBondContact O-N 3.06Å; P372-L374 VanDerWaalsContact C-N 3.3Å; L374-F376 HydrophobicContact CB-CD2 4.48Å; L374-F376 HydrophobicContact CB-CE1 4.42Å; L374-F376 HydrophobicContact CB-CE2 3.93Å; L374-F376 HydrophobicContact CB-CZ 3.9Å; L374-F376 HydrophobicContact CD1-CE1 4.45Å; L374-F376 HydrophobicContact CD1-CZ 4.05Å; L374-F376 WeakPolarHBondContact O-CD2 3.48Å; L374-F376 PolarHBondContact O-N 2.92Å; L374-F376 VanDerWaalsContact O-N 3.15Å; L374-A452 WeakPolarHBondContact CD1-O 3.31Å; L374-L453 HydrophobicContact CD1-CD2 4.31Å; L374-E457 HydrophobicContact CD2-CG 4.02Å
375N88.7Confident88.9Confident116 Ų11662 Ų6262%0.6232%0.32SS*.  trans-87.974.6178.8-71.2-61.7000112.5V377 G378 L379N375-V377 VanDerWaalsContact C-N 3.31Å; N375-V377 PolarHBondContact O-N 3.07Å; N375-G378 PolarHBondContact O-N 3.32Å; N375-L379 PolarHBondContact O-N 3.23Å
376F89.3Confident89Confident7 Ų758.1 Ų58.13%0.03131%0.309CS..Hα-helixtrans-57.6-40.6178.3-60.1-76.3000113.2I366 P367 H371 L374 G378 L379 L380 I449 A452 L453I366-F376 HydrophobicContact CG2-CB 3.53Å; I366-F376 HydrophobicContact CG2-CD1 4.25Å; I366-F376 HydrophobicContact CG2-CD2 3.76Å; I366-F376 HydrophobicContact CG2-CG 3.58Å; P367-F376 WeakPolarHBondContact O-CE2 3.32Å; H371-F376 HydrophobicContact CB-CE2 4.25Å; H371-F376 HydrophobicContact CB-CZ 4.22Å; L374-F376 HydrophobicContact CB-CD2 4.48Å; L374-F376 HydrophobicContact CB-CE1 4.42Å; L374-F376 HydrophobicContact CB-CE2 3.93Å; L374-F376 HydrophobicContact CB-CZ 3.9Å; L374-F376 HydrophobicContact CD1-CE1 4.45Å; L374-F376 HydrophobicContact CD1-CZ 4.05Å; L374-F376 WeakPolarHBondContact O-CD2 3.48Å; L374-F376 PolarHBondContact O-N 2.92Å; L374-F376 VanDerWaalsContact O-N 3.15Å; F376-G378 VanDerWaalsContact C-N 3.31Å; F376-G378 PolarHBondContact O-N 3.26Å; F376-L379 PolarHBondContact O-N 3.12Å; F376-L380 WeakPolarHBondContact O-CG 3.44Å; F376-L380 PolarHBondContact O-N 3.46Å; F376-I449 HydrophobicContact CE1-CG2 4.34Å; F376-A452 HydrophobicContact CD1-CB 4.09Å; F376-A452 HydrophobicContact CE1-CB 3.87Å; F376-L453 HydrophobicContact CE1-CD2 4.12Å; F376-L453 HydrophobicContact CE1-CG 4.3Å; F376-L453 HydrophobicContact CZ-CD2 3.76Å; F376-L453 HydrophobicContact CZ-CG 4.42Å
377V90.8Very high89.1Confident32 Ų3258.4 Ų58.419%0.19431%0.311CS..Hα-helixtrans-61.6-40179.2-178.40000111.3N375 I381 I401 L426N375-V377 VanDerWaalsContact C-N 3.31Å; N375-V377 PolarHBondContact O-N 3.07Å; V377-I381 HydrophobicContact CG1-CD1 3.56Å; V377-I381 HydrophobicContact CG1-CG1 4.32Å; V377-I381 WeakPolarHBondContact O-CB 3.43Å; V377-I381 WeakPolarHBondContact O-CG1 3.33Å; V377-I381 PolarHBondContact O-N 3.46Å; V377-I381 VanDerWaalsContact O-N 3.08Å; V377-I401 HydrophobicContact CG1-CD1 4.2Å; V377-I401 HydrophobicContact CG2-CG2 4.39Å; V377-L426 HydrophobicContact CG2-CD1 3.95Å; V377-L426 HydrophobicContact CG2-CD2 3.64Å; V377-L426 HydrophobicContact CG2-CG 4.41Å
378G90.9Very high89.4Confident43 Ų4358.2 Ų58.244%0.44331%0.308SS..Hα-helixtrans-65.5-39.7177.500000112.4N375 F376 G382N375-G378 PolarHBondContact O-N 3.32Å; F376-G378 VanDerWaalsContact C-N 3.31Å; F376-G378 PolarHBondContact O-N 3.26Å; G378-G382 PolarHBondContact O-N 3.12Å
379L91.2Very high89.8Confident12 Ų1262.1 Ų62.16%0.06332%0.324CS..Hα-helixtrans-71.2-42.5179.9-172.165.1000112.4N375 F376 I448 A452 L462 R463 Q466N375-L379 PolarHBondContact O-N 3.23Å; F376-L379 PolarHBondContact O-N 3.12Å; L379-I448 HydrophobicContact CD2-CG2 3.92Å; L379-I448 HydrophobicContact CG-CG2 4.04Å; L379-A452 HydrophobicContact CD2-CB 3.65Å; L379-L462 HydrophobicContact CD1-CD2 4Å; L379-L462 HydrophobicContact CD1-CG 4.11Å; L379-L462 HydrophobicContact CG-CD2 4.3Å; L379-R463 HydrophobicContact CD1-CB 3.97Å; L379-R463 HydrophobicContact CD1-CG 4.49Å; L379-Q466 PolarHBondContact O-NE2 3.36Å
380L92.8Very high90.3Very high6 Ų660.1 Ų60.13%0.03131%0.31CS..Hα-helixtrans-70-36.6178.3-71.2170000112.4I366 F376 L388 I401 I445 I448I366-L380 HydrophobicContact CD1-CD1 3.66Å; F376-L380 WeakPolarHBondContact O-CG 3.44Å; F376-L380 PolarHBondContact O-N 3.46Å; L380-L388 PolarHBondContact O-N 2.83Å; L380-I401 HydrophobicContact CB-CD1 4.1Å; L380-I401 HydrophobicContact CD1-CD1 4.47Å; L380-I445 HydrophobicContact CD2-CG2 4.28Å; L380-I448 HydrophobicContact CD2-CB 4.21Å; L380-I448 HydrophobicContact CD2-CD1 4.39Å; L380-I448 HydrophobicContact CD2-CG2 3.87Å
381I93Very high90.6Very high59 Ų5953.8 Ų53.830%0.30328%0.281SS..Hα-helixtrans-76.7-47179.4-63.3176.7000111.4V377 G385 T387 L388 I401V377-I381 HydrophobicContact CG1-CD1 3.56Å; V377-I381 HydrophobicContact CG1-CG1 4.32Å; V377-I381 WeakPolarHBondContact O-CB 3.43Å; V377-I381 WeakPolarHBondContact O-CG1 3.33Å; V377-I381 PolarHBondContact O-N 3.46Å; V377-I381 VanDerWaalsContact O-N 3.08Å; I381-G385 CarbonylContact O-C 3.38Å; I381-G385 VanDerWaalsContact O-CA 3.22Å; I381-G385 WeakPolarHBondContact O-CA 3.48Å; I381-T387 PolarHBondContact O-N 2.76Å; I381-L388 PolarHBondContact O-N 2.66Å; I381-L388 VanDerWaalsContact O-N 3.14Å; I381-I401 HydrophobicContact CD1-CD1 4.03Å; I381-I401 HydrophobicContact CG1-CD1 3.66Å
382G91.6Very high91.1Very high13 Ų1353.3 Ų53.313%0.13428%0.279CS..  trans69.7179.1-17300000114.1G378 R384 G385G378-G382 PolarHBondContact O-N 3.12Å; G382-R384 PolarHBondContact O-N 3.22Å; G382-G385 PolarHBondContact O-N 2.98Å
383P93Very high91.6Very high8 Ų855.3 Ų55.35%0.05227%0.274CS..G310 helixtrans-61.6129.7179.525.2-32.8000111G385 N386 E469 L470 L473P383-G385 PolarHBondContact O-N 3.16Å; P383-N386 VanDerWaalsContact O-CB 3.31Å; P383-N386 WeakPolarHBondContact O-CB 3.16Å; P383-N386 PolarHBondContact O-N 2.95Å; P383-E469 HydrophobicContact CG-CB 4.03Å; P383-E469 HydrophobicContact CG-CG 3.91Å; P383-E469 WeakPolarHBondContact CG-OE2 3.49Å; P383-L470 HydrophobicContact CB-CB 4Å; P383-L470 HydrophobicContact CB-CD1 4.4Å; P383-L473 HydrophobicContact CB-CD1 4.29Å
384R89.7Confident92.1Very high189 Ų18954.8 Ų54.871%0.71327%0.274SS*.G310 helixtrans52.518.4-176.6-62.7-171.1175.9165.51.9115.2G382 N386 L473G382-R384 PolarHBondContact O-N 3.22Å; R384-N386 VanDerWaalsContact C-N 3.3Å; R384-L473 HydrophobicContact CG-CD1 4.15Å
385G91.4Very high92.5Very high12 Ų1254.2 Ų54.212%0.12427%0.272CS..G310 helixtrans73.918.9-174.700000114I381 G382 P383 K389I381-G385 CarbonylContact O-C 3.38Å; I381-G385 VanDerWaalsContact O-CA 3.22Å; I381-G385 WeakPolarHBondContact O-CA 3.48Å; G382-G385 PolarHBondContact O-N 2.98Å; P383-G385 PolarHBondContact O-N 3.16Å; G385-K389 WeakPolarHBondContact O-CB 3.4Å; G385-K389 VanDerWaalsContact O-CG 3.23Å; G385-K389 WeakPolarHBondContact O-CG 3.4Å; G385-K389 PolarHBondContact O-N 3.4Å; G385-K389 VanDerWaalsContact O-N 3.07Å
386N93.6Very high92.6Very high58 Ų5854.8 Ų54.831%0.3128%0.275SS..Hα-helixtrans-66-45-177.8-167.717.6000111.5P383 R384 K389 Q390 E469P383-N386 VanDerWaalsContact O-CB 3.31Å; P383-N386 WeakPolarHBondContact O-CB 3.16Å; P383-N386 PolarHBondContact O-N 2.95Å; R384-N386 VanDerWaalsContact C-N 3.3Å; N386-K389 PolarHBondContact O-N 3.25Å; N386-Q390 WeakPolarHBondContact O-CB 3.32Å; N386-Q390 PolarHBondContact O-N 2.9Å; N386-E469 PolarHBondContact ND2-OE1 2.88Å
387T93.9Very high92.7Very high13 Ų1354.9 Ų54.98%0.0828%0.276CS..Hα-helixtrans-63.4-45.1179.3-52.40000111.7I381 K389 Q390 L391 Q466I381-T387 PolarHBondContact O-N 2.76Å; T387-K389 PolarHBondContact O-N 2.82Å; T387-Q390 WeakPolarHBondContact O-CB 3.38Å; T387-Q390 PolarHBondContact O-N 2.9Å; T387-Q390 VanDerWaalsContact O-N 3.14Å; T387-L391 HydrophobicContact CG2-CD1 4.41Å; T387-L391 WeakPolarHBondContact O-CG 3.21Å; T387-L391 PolarHBondContact O-N 3.49Å; T387-Q466 PolarHBondContact OG1-NE2 3.49Å
388L94.1Very high92.8Very high31 Ų3160.4 Ų60.416%0.16229%0.294CS..Hα-helixtrans-60.9-45.5175.3-176.967.8000111.9L380 I381 Q390 L391 E392 I399L380-L388 PolarHBondContact O-N 2.83Å; I381-L388 PolarHBondContact O-N 2.66Å; I381-L388 VanDerWaalsContact O-N 3.14Å; L388-Q390 PolarHBondContact O-N 2.89Å; L388-L391 PolarHBondContact O-N 3.16Å; L388-E392 WeakPolarHBondContact O-CG 3.43Å; L388-E392 PolarHBondContact O-N 2.88Å; L388-I399 HydrophobicContact CD1-CB 3.88Å; L388-I399 HydrophobicContact CD1-CG2 3.71Å
389K94.7Very high92.9Very high122 Ų12258.8 Ų58.853%0.5327%0.274SS..Hα-helixtrans-65.3-27.3176.8-75175.2-179.1177.90113G385 N386 T387 R393G385-K389 WeakPolarHBondContact O-CB 3.4Å; G385-K389 VanDerWaalsContact O-CG 3.23Å; G385-K389 WeakPolarHBondContact O-CG 3.4Å; G385-K389 PolarHBondContact O-N 3.4Å; G385-K389 VanDerWaalsContact O-N 3.07Å; N386-K389 PolarHBondContact O-N 3.25Å; T387-K389 PolarHBondContact O-N 2.82Å; K389-R393 WeakPolarHBondContact O-CB 3.24Å; K389-R393 VanDerWaalsContact O-CG 3.24Å; K389-R393 WeakPolarHBondContact O-CG 3.37Å; K389-R393 PolarHBondContact O-N 3Å; K389-R393 PolarHBondContact O-NE 3.35Å
390Q94.3Very high93Very high90 Ų9060.2 Ų60.242%0.42128%0.282SS..Hα-helixtrans-72.3-46.9173.8-176.8172.211.300110.1N386 T387 L388 E392 R393 D394N386-Q390 WeakPolarHBondContact O-CB 3.32Å; N386-Q390 PolarHBondContact O-N 2.9Å; T387-Q390 WeakPolarHBondContact O-CB 3.38Å; T387-Q390 PolarHBondContact O-N 2.9Å; T387-Q390 VanDerWaalsContact O-N 3.14Å; L388-Q390 PolarHBondContact O-N 2.89Å; Q390-E392 VanDerWaalsContact C-N 3.3Å; Q390-E392 PolarHBondContact O-N 2.78Å; Q390-R393 PolarHBondContact O-N 2.91Å; Q390-D394 WeakPolarHBondContact CG-OD2 3.47Å; Q390-D394 WeakPolarHBondContact O-CB 3.22Å; Q390-D394 PolarHBondContact O-N 2.9Å
391L93.7Very high92.9Very high11 Ų1160.9 Ų60.96%0.05829%0.285CS..Hα-helixtrans-56.9-43.5174.6-69.7168.2000112.2T387 L388 R393 T395 I399 R444 I448T387-L391 HydrophobicContact CG2-CD1 4.41Å; T387-L391 WeakPolarHBondContact O-CG 3.21Å; T387-L391 PolarHBondContact O-N 3.49Å; L388-L391 PolarHBondContact O-N 3.16Å; L391-R393 VanDerWaalsContact C-N 3.34Å; L391-R393 PolarHBondContact O-N 3.44Å; L391-T395 WeakPolarHBondContact O-CB 3.31Å; L391-T395 WeakPolarHBondContact O-CG2 3.12Å; L391-T395 PolarHBondContact O-N 2.89Å; L391-T395 VanDerWaalsContact O-N 3.12Å; L391-T395 PolarHBondContact O-OG1 3.44Å; L391-I399 HydrophobicContact CB-CD1 3.83Å; L391-R444 HydrophobicContact CD2-CB 4.37Å; L391-R444 HydrophobicContact CD2-CG 3.4Å; L391-I448 HydrophobicContact CD1-CD1 3.8Å; L391-I448 HydrophobicContact CD2-CD1 3.96Å; L391-I448 HydrophobicContact CG-CD1 4.47Å
392E94.2Very high92.7Very high53 Ų5362.5 Ų62.525%0.24829%0.287CS..Hα-helixtrans-63.3-37.1175.3-71.4-174.4144.900112.8L388 Q390 N396 T397 I399L388-E392 WeakPolarHBondContact O-CG 3.43Å; L388-E392 PolarHBondContact O-N 2.88Å; Q390-E392 VanDerWaalsContact C-N 3.3Å; Q390-E392 PolarHBondContact O-N 2.78Å; E392-N396 CarbonylContact O-C 3.47Å; E392-N396 VanDerWaalsContact O-CA 3.22Å; E392-N396 WeakPolarHBondContact O-CA 3.32Å; E392-N396 PolarHBondContact O-N 2.93Å; E392-T397 VanDerWaalsContact CA-O 3.29Å; E392-T397 WeakPolarHBondContact CA-O 3.14Å; E392-T397 VanDerWaalsContact CB-O 3.26Å; E392-T397 WeakPolarHBondContact CB-O 3.26Å; E392-T397 WeakPolarHBondContact CG-O 3.31Å; E392-T397 PolarHBondContact O-N 2.83Å; E392-I399 HydrophobicContact CG-CB 4.07Å; E392-I399 HydrophobicContact CG-CD1 4.06Å; E392-I399 HydrophobicContact CG-CG1 4.07Å; E392-I399 PolarHBondContact OE1-N 2.96Å
393R94.2Very high92.5Very high144 Ų14462.4 Ų62.454%0.54329%0.287SS..Hα-helixtrans-73.7-43.7178.4-79.9178.5-70139.2-5.6112.6K389 Q390 L391 T395 N396K389-R393 WeakPolarHBondContact O-CB 3.24Å; K389-R393 VanDerWaalsContact O-CG 3.24Å; K389-R393 WeakPolarHBondContact O-CG 3.37Å; K389-R393 PolarHBondContact O-N 3Å; K389-R393 PolarHBondContact O-NE 3.35Å; Q390-R393 PolarHBondContact O-N 2.91Å; L391-R393 VanDerWaalsContact C-N 3.34Å; L391-R393 PolarHBondContact O-N 3.44Å; R393-T395 VanDerWaalsContact C-N 3.3Å; R393-T395 PolarHBondContact O-N 2.84Å; R393-N396 PolarHBondContact O-N 3.21Å; R393-N396 PolarHBondContact O-OD1 3.44Å
394D94.2Very high92.1Very high103 Ų10367.5 Ų67.555%0.55131%0.308SS*.Hα-helixtrans-69.3-34.8-175.8-64.9-7.3000110.7Q390Q390-D394 WeakPolarHBondContact CG-OD2 3.47Å; Q390-D394 WeakPolarHBondContact O-CB 3.22Å; Q390-D394 PolarHBondContact O-N 2.9Å
395T92.5Very high91.6Very high16 Ų1661.2 Ų61.210%0.09830%0.302CS..Hα-helixtrans-96.5-7.5-179.763.60000113.1L391 R393 T397 S437 A441L391-T395 WeakPolarHBondContact O-CB 3.31Å; L391-T395 WeakPolarHBondContact O-CG2 3.12Å; L391-T395 PolarHBondContact O-N 2.89Å; L391-T395 VanDerWaalsContact O-N 3.12Å; L391-T395 PolarHBondContact O-OG1 3.44Å; R393-T395 VanDerWaalsContact C-N 3.3Å; R393-T395 PolarHBondContact O-N 2.84Å; T395-T397 WeakPolarHBondContact O-CG2 3.34Å; T395-T397 PolarHBondContact O-N 3.08Å; T395-T397 VanDerWaalsContact O-N 3.12Å; T395-T397 PolarHBondContact OG1-N 2.88Å; T395-T397 PolarHBondContact OG1-OG1 3.05Å; T395-S437 WeakPolarHBondContact O-CB 3.5Å; T395-A441 HydrophobicContact CG2-CB 3.92Å
396N91.2Very high91.3Very high129 Ų12962 Ų6269%0.6931%0.306SS*.THydrogen-bonded Turntrans51.128.4-169.9-63.1-53.5000113.9E392 R393E392-N396 CarbonylContact O-C 3.47Å; E392-N396 VanDerWaalsContact O-CA 3.22Å; E392-N396 WeakPolarHBondContact O-CA 3.32Å; E392-N396 PolarHBondContact O-N 2.93Å; R393-N396 PolarHBondContact O-N 3.21Å; R393-N396 PolarHBondContact O-OD1 3.44Å
397T92.5Very high90.7Very high8 Ų862.6 Ų62.65%0.04931%0.311CS..  trans-108.6163.517769.40000111E392 T395 I430 A432 S437 A441E392-T397 VanDerWaalsContact CA-O 3.29Å; E392-T397 WeakPolarHBondContact CA-O 3.14Å; E392-T397 VanDerWaalsContact CB-O 3.26Å; E392-T397 WeakPolarHBondContact CB-O 3.26Å; E392-T397 WeakPolarHBondContact CG-O 3.31Å; E392-T397 PolarHBondContact O-N 2.83Å; T395-T397 WeakPolarHBondContact O-CG2 3.34Å; T395-T397 PolarHBondContact O-N 3.08Å; T395-T397 VanDerWaalsContact O-N 3.12Å; T395-T397 PolarHBondContact OG1-N 2.88Å; T395-T397 PolarHBondContact OG1-OG1 3.05Å; T397-I430 HydrophobicContact CG2-CG2 4.3Å; T397-A432 HydrophobicContact CG2-CB 3.68Å; T397-S437 VanDerWaalsContact CG2-O 3.22Å; T397-S437 WeakPolarHBondContact CG2-O 3.23Å; T397-A441 HydrophobicContact CG2-CB 3.83Å; T397-A441 WeakPolarHBondContact OG1-CB 3.37Å
398R92.6Very high90Very high149 Ų14970.1 Ų70.156%0.56234%0.343SS*.EExtended strand (participates in β ladder)trans-106.6122.5171.9176.4-177.9-168.7-173.83.6109.3I400 I430 T431R398-I400 HydrophobicContact CG-CD1 4.5Å; R398-I400 HydrophobicContact CG-CG1 4.35Å; R398-I430 CarbonylContact O-C 3.33Å; R398-I430 WeakPolarHBondContact O-CA 3.41Å; R398-T431 WeakPolarHBondContact CB-OG1 3.24Å; R398-T431 PolarHBondContact N-O 3.48Å; R398-T431 PolarHBondContact O-N 3.21Å; R398-T431 PolarHBondContact O-OG1 3.1Å
399I93.5Very high88.7Confident8 Ų877.6 Ų77.64%0.04138%0.377CS..EExtended strand (participates in β ladder)trans-116.6123.3-171.8-57.1163.7000108.8L388 L391 E392 A428 I430 I445L388-I399 HydrophobicContact CD1-CB 3.88Å; L388-I399 HydrophobicContact CD1-CG2 3.71Å; L391-I399 HydrophobicContact CB-CD1 3.83Å; E392-I399 HydrophobicContact CG-CB 4.07Å; E392-I399 HydrophobicContact CG-CD1 4.06Å; E392-I399 HydrophobicContact CG-CG1 4.07Å; E392-I399 PolarHBondContact OE1-N 2.96Å; I399-A428 HydrophobicContact CG2-CB 4.48Å; I399-I430 HydrophobicContact CG1-CG1 4.45Å; I399-I430 HydrophobicContact CG1-CG2 4.3Å; I399-I445 HydrophobicContact CD1-CD1 4.08Å; I399-I445 HydrophobicContact CG1-CD1 4.32Å; I399-I445 HydrophobicContact CG2-CD1 3.92Å
400I91.7Very high87.3Confident43 Ų4375.4 Ų75.422%0.22139%0.389CS..EExtended strand (participates in β ladder)trans-128.8121-178.4-52.6176.2000109.4R398 R402 Y429R398-I400 HydrophobicContact CG-CD1 4.5Å; R398-I400 HydrophobicContact CG-CG1 4.35Å; I400-R402 HydrophobicContact CG2-CG 4.11Å; I400-R402 PolarHBondContact O-N 3Å; I400-Y429 PolarHBondContact N-O 3.27Å; I400-Y429 WeakPolarHBondContact O-CB 3.45Å; I400-Y429 PolarHBondContact O-N 2.84Å
401I91.9Very high85.9Confident19 Ų1979.3 Ų79.310%0.09741%0.405CS..EExtended strand (participates in β ladder)trans-79.2123175.3-54.4179.2000109.2V377 L380 I381 S406 L426V377-I401 HydrophobicContact CG1-CD1 4.2Å; V377-I401 HydrophobicContact CG2-CG2 4.39Å; L380-I401 HydrophobicContact CB-CD1 4.1Å; L380-I401 HydrophobicContact CD1-CD1 4.47Å; I381-I401 HydrophobicContact CD1-CD1 4.03Å; I381-I401 HydrophobicContact CG1-CD1 3.66Å; I401-S406 PolarHBondContact O-OG 3.09Å; I401-L426 HydrophobicContact CG2-CD1 3.73Å
402R88.9Confident84.3Confident93 Ų9382.9 Ų82.935%0.35142%0.423SS..EExtended strand (participates in β ladder)trans-129.4168-176.7-69.9-84.5178.878.81.9109.7I400 H427I400-R402 HydrophobicContact CG2-CG 4.11Å; I400-R402 PolarHBondContact O-N 3Å; R402-H427 WeakPolarHBondContact CB-NE2 3.31Å; R402-H427 PolarHBondContact N-O 3.32Å; R402-H427 PolarHBondContact O-N 3.43Å
403G87Confident82.6Confident12 Ų1284.1 Ų84.112%0.12445%0.449CS..SBendtrans95.218017800000115.3G405 S406 E424G403-G405 PolarHBondContact O-N 3.44Å; G403-S406 WeakPolarHBondContact O-CB 3.26Å; G403-S406 PolarHBondContact O-N 3.4Å; G403-S406 VanDerWaalsContact O-N 3.12Å; G403-E424 CarbonylContact C-O 3.48Å; G403-E424 WeakPolarHBondContact CA-O 3.33Å
404K83.4Confident81.1Confident115 Ų11587 Ų8750%0.547%0.466SS..THydrogen-bonded Turntrans-56.5127-178.6-67.6174.2-179.2163.50110.9Q368 S406 E422 D423 E424 L426Q368-K404 PolarHBondContact NE2-O 3.39Å; Q368-K404 PolarHBondContact OE1-O 2.99Å; K404-S406 VanDerWaalsContact C-N 3.34Å; K404-E422 WeakPolarHBondContact CG-O 3.14Å; K404-D423 WeakPolarHBondContact CE-O 3.48Å; K404-D423 PolarHBondContact NZ-O 3.49Å; K404-D423 VanDerWaalsContact NZ-O 3.1Å; K404-E424 PolarHBondContact N-O 3.14Å; K404-L426 WeakPolarHBondContact O-CB 3.45Å
405G81Confident79.3Confident57 Ų5792.2 Ų92.259%0.58848%0.478SS*.THydrogen-bonded Turntrans84.9-5.8-17900000115.6G403 V407G403-G405 PolarHBondContact O-N 3.44Å; G405-V407 VanDerWaalsContact C-N 3.31Å; G405-V407 PolarHBondContact O-N 2.9Å
406S84Confident77.1Confident28 Ų28101.3 Ų101.320%0.19652%0.519CS..  trans-61.2-38178.7171.90000112.8I401 G403 K404I401-S406 PolarHBondContact O-OG 3.09Å; G403-S406 WeakPolarHBondContact O-CB 3.26Å; G403-S406 PolarHBondContact O-N 3.4Å; G403-S406 VanDerWaalsContact O-N 3.12Å; K404-S406 VanDerWaalsContact C-N 3.34Å
407V81.6Confident75.6Confident71 Ų7197.3 Ų97.343%0.4351%0.508SS..SBendtrans-99.7119.3-179.5-1730000109.9G405 E409 K411 I412G405-V407 VanDerWaalsContact C-N 3.31Å; G405-V407 PolarHBondContact O-N 2.9Å; V407-E409 PolarHBondContact O-N 3.13Å; V407-E409 VanDerWaalsContact O-N 3.12Å; V407-K411 HydrophobicContact CG1-CB 4Å; V407-I412 HydrophobicContact CB-CD1 3.95Å; V407-I412 HydrophobicContact CB-CG1 3.89Å; V407-I412 HydrophobicContact CG1-CD1 4.04Å; V407-I412 HydrophobicContact CG1-CG1 3.49Å; V407-I412 VanDerWaalsContact CG1-CG1 3.49Å
408K79.7Confident74Confident171 Ų171102.5 Ų102.574%0.74354%0.542SS*.PPolyproline II helixtrans-52.8120.8172.9-172.6172.7-176.3173.80110.1G410 K411K408-G410 PolarHBondContact O-N 2.84Å; K408-G410 VanDerWaalsContact O-N 3.16Å; K408-K411 PolarHBondContact O-N 2.74Å
409E66.6Low72.4Confident187 Ų187100.5 Ų100.587%0.87454%0.54SS*.THydrogen-bonded Turntrans-47.6120.8178.8-62.5-178.2167.200109.6V407V407-E409 PolarHBondContact O-N 3.13Å; V407-E409 VanDerWaalsContact O-N 3.12Å
410G64.4Low70.9Confident76 Ų76105.7 Ų105.778%0.78458%0.575SS**THydrogen-bonded Turntrans116.5-16.7-176.700000115.9K408K408-G410 PolarHBondContact O-N 2.84Å; K408-G410 VanDerWaalsContact O-N 3.16Å
411K64.7Low69.5Low173 Ų173104.8 Ų104.875%0.75258%0.576SS**SBendtrans-88.9-15.8170.6-72.9-175-179.4-1790114.2V407 K408V407-K411 HydrophobicContact CG1-CB 4Å; K408-K411 PolarHBondContact O-N 2.74Å
412I61.2Low68.3Low86 Ų86108 Ų10844%0.44159%0.591SS.*G310 helixtrans-75.6-24.2-175.3-60.2162000112.1V407 K414 R415V407-I412 HydrophobicContact CB-CD1 3.95Å; V407-I412 HydrophobicContact CB-CG1 3.89Å; V407-I412 HydrophobicContact CG1-CD1 4.04Å; V407-I412 HydrophobicContact CG1-CG1 3.49Å; V407-I412 VanDerWaalsContact CG1-CG1 3.49Å; I412-K414 PolarHBondContact O-N 2.66Å; I412-R415 PolarHBondContact O-N 3.28Å
413G58.8Low67.6Low78 Ų78110.4 Ų110.480%0.80461%0.611SS**G310 helixtrans-66.25.9-172.200000117.6
414K60.8Low67.5Low204 Ų204113 Ų11389%0.88762%0.619SS**G310 helixtrans-119.4-5.1176.8-74.7-172.1178.3-174.10114.8I412I412-K414 PolarHBondContact O-N 2.66Å
415R57.7Low67.8Low213 Ų213110 Ų11080%0.80461%0.612SS**  trans-115.8103.9170.9-82.5-161.3178.3-88.31.9108.7I412 G417I412-R415 PolarHBondContact O-N 3.28Å; R415-G417 PolarHBondContact O-N 3.48Å
416E45.3Very low68.2Low208 Ų208107.4 Ų107.497%0.97259%0.585SS**  trans-7999.7177-164.3152.6-171.700108.4
417G60.5Low68.6Low44 Ų44106.3 Ų106.345%0.45458%0.576SS.*SBendtrans158.8124.3178.100000110.5R415 M419R415-G417 PolarHBondContact O-N 3.48Å; G417-M419 PolarHBondContact O-N 3.41Å; G417-M419 VanDerWaalsContact O-N 3.08Å
418P59.2Low69.2Low118 Ų118103 Ų10377%0.76656%0.556SS**  trans-55.2117.5171.2-19.630.5000108.1
419M59.5Low69.8Low106 Ų10697.6 Ų97.652%0.52253%0.532SS..  trans-66.7129174.3-76.7-76.1-70.300107.5G417 G421 E422G417-M419 PolarHBondContact O-N 3.41Å; G417-M419 VanDerWaalsContact O-N 3.08Å; M419-G421 PolarHBondContact O-N 2.98Å; M419-E422 HydrophobicContact CB-CG 4.24Å; M419-E422 WeakPolarHBondContact CB-OE1 3.46Å; M419-E422 PolarHBondContact N-OE1 2.8Å; M419-E422 PolarHBondContact O-N 3.32Å
420P60.7Low71.1Confident117 Ų11788.7 Ų88.776%0.7649%0.49SS*.THydrogen-bonded Turntrans-60111.3176.921.4-29.5000108.8
421G62.2Low72.4Confident25 Ų2585.9 Ų85.926%0.25846%0.458SS..THydrogen-bonded Turntrans121.33.1-177.400000116.3M419 D423 E424M419-G421 PolarHBondContact O-N 2.98Å; G421-D423 PolarHBondContact O-N 3.3Å; G421-E424 PolarHBondContact O-N 3.46Å
422E68Low73.6Confident87 Ų8777.9 Ų77.941%0.40742%0.424SS..THydrogen-bonded Turntrans-67.1-22.3173.7-73.8174.1-162.100113.8K404 M419 E424K404-E422 WeakPolarHBondContact CG-O 3.14Å; M419-E422 HydrophobicContact CB-CG 4.24Å; M419-E422 WeakPolarHBondContact CB-OE1 3.46Å; M419-E422 PolarHBondContact N-OE1 2.8Å; M419-E422 PolarHBondContact O-N 3.32Å; E422-E424 VanDerWaalsContact C-N 3.34Å
423D73.8Confident74.8Confident142 Ų14277.7 Ų77.776%0.75943%0.43SS*.THydrogen-bonded Turntrans-77.9-19.7179-66.4-44.1000113.3K404 G421K404-D423 WeakPolarHBondContact CE-O 3.48Å; K404-D423 PolarHBondContact NZ-O 3.49Å; K404-D423 VanDerWaalsContact NZ-O 3.1Å; G421-D423 PolarHBondContact O-N 3.3Å
424E84.7Confident76.2Confident66 Ų6678.4 Ų78.431%0.30842%0.415SS..SBendtrans-77.3144.6-179.5-64.3-173.1167.200110.9K363 G403 K404 G421 E422 H427K363-E424 IonicContact NZ-OE1 2.7Å; K363-E424 PolarHBondContact NZ-OE1 3.13Å; K363-E424 IonicContact NZ-OE2 3.14Å; K363-E424 PolarHBondContact NZ-OE2 3.42Å; G403-E424 CarbonylContact C-O 3.48Å; G403-E424 WeakPolarHBondContact CA-O 3.33Å; K404-E424 PolarHBondContact N-O 3.14Å; G421-E424 PolarHBondContact O-N 3.46Å; E422-E424 VanDerWaalsContact C-N 3.34Å; E424-H427 IonicContact OE2-CE1 3.95Å; E424-H427 PolarHBondContact OE2-CE1 2.78Å; E424-H427 IonicContact OE2-ND1 3.13Å; E424-H427 IonicContact OE2-NE2 3.88Å; E424-H427 PolarHBondContact OE2-NE2 2.79Å
425P88.7Confident77.5Confident54 Ų5471.3 Ų71.335%0.35140%0.395SS..PPolyproline II helixtrans-59.4162.1173.827.5-35000110.8Y365 H427Y365-P425 HydrophobicContact CD1-CG 3.77Å; Y365-P425 HydrophobicContact CE1-CG 3.77Å; P425-H427 PolarHBondContact O-N 3.35Å; P425-H427 VanDerWaalsContact O-N 3.16Å; P425-H427 PolarHBondContact O-ND1 2.97Å
426L91.3Very high79Confident2 Ų268.7 Ų68.71%0.0139%0.392CS..SBendtrans-56.3123.1-180-174.571.1000110.4I366 Q368 V377 I401 K404I366-L426 HydrophobicContact CB-CB 4.43Å; I366-L426 HydrophobicContact CB-CD2 3.95Å; I366-L426 HydrophobicContact CB-CG 4.09Å; I366-L426 HydrophobicContact CD1-CD2 4.16Å; I366-L426 HydrophobicContact CD1-CG 4.06Å; I366-L426 HydrophobicContact CG2-CD2 3.81Å; I366-L426 HydrophobicContact CG2-CG 4.49Å; I366-L426 PolarHBondContact N-O 3.1Å; Q368-L426 HydrophobicContact CB-CD2 4.26Å; Q368-L426 HydrophobicContact CG-CB 4.14Å; V377-L426 HydrophobicContact CG2-CD1 3.95Å; V377-L426 HydrophobicContact CG2-CD2 3.64Å; V377-L426 HydrophobicContact CG2-CG 4.41Å; I401-L426 HydrophobicContact CG2-CD1 3.73Å; K404-L426 WeakPolarHBondContact O-CB 3.45Å
427H91.7Very high81.2Confident4 Ų459.6 Ų59.62%0.01935%0.351CS..EExtended strand (participates in β ladder)trans-146.2148.3-179.862.6-84.9000111.4V364 Y365 R402 E424 P425V364-H427 CarbonylContact O-C 3.57Å; V364-H427 WeakPolarHBondContact O-CA 3.37Å; V364-H427 WeakPolarHBondContact O-CB 3.35Å; Y365-H427 HydrophobicContact CD1-CB 3.95Å; Y365-H427 HydrophobicContact CE1-CB 4.35Å; R402-H427 WeakPolarHBondContact CB-NE2 3.31Å; R402-H427 PolarHBondContact N-O 3.32Å; R402-H427 PolarHBondContact O-N 3.43Å; E424-H427 IonicContact OE2-CE1 3.95Å; E424-H427 PolarHBondContact OE2-CE1 2.78Å; E424-H427 IonicContact OE2-ND1 3.13Å; E424-H427 IonicContact OE2-NE2 3.88Å; E424-H427 PolarHBondContact OE2-NE2 2.79Å; P425-H427 PolarHBondContact O-N 3.35Å; P425-H427 VanDerWaalsContact O-N 3.16Å; P425-H427 PolarHBondContact O-ND1 2.97Å
428A93Very high82.7Confident1 Ų158.2 Ų58.21%0.00833%0.333CS..EExtended strand (participates in β ladder)trans-87.6120.2166.600000109V364 I366 I399 I445V364-A428 HydrophobicContact CB-CB 4.48Å; V364-A428 PolarHBondContact N-O 3.45Å; V364-A428 PolarHBondContact O-N 2.86Å; I366-A428 HydrophobicContact CD1-CB 4.49Å; I399-A428 HydrophobicContact CG2-CB 4.48Å; A428-I445 HydrophobicContact CB-CD1 4.32Å; A428-I445 HydrophobicContact CB-CG2 4.42Å
429Y93.1Very high84.3Confident59 Ų5958.1 Ų58.123%0.23132%0.323CS..EExtended strand (participates in β ladder)trans-95111173.6-177.9-101.4000109.1S361 K363 I400 T431S361-Y429 VanDerWaalsContact CB-OH 3.23Å; S361-Y429 WeakPolarHBondContact CB-OH 3.27Å; S361-Y429 PolarHBondContact OG-OH 2.65Å; K363-Y429 HydrophobicContact CG-CD2 4.01Å; I400-Y429 PolarHBondContact N-O 3.27Å; I400-Y429 WeakPolarHBondContact O-CB 3.45Å; I400-Y429 PolarHBondContact O-N 2.84Å; Y429-T431 HydrophobicContact CD1-CG2 3.84Å; Y429-T431 HydrophobicContact CE1-CG2 3.15Å
430I94Very high85.9Confident0 Ų055.9 Ų55.90%032%0.317CS..EExtended strand (participates in β ladder)trans-103.7134.8-176.7-50.6164.5000107.7S361 E362 V364 T397 R398 I399 L438 A441 V442 I445S361-I430 CarbonylContact C-O 3.57Å; S361-I430 WeakPolarHBondContact CA-O 3.3Å; E362-I430 PolarHBondContact N-O 3.45Å; E362-I430 PolarHBondContact O-N 3.34Å; V364-I430 HydrophobicContact CG2-CD1 3.75Å; T397-I430 HydrophobicContact CG2-CG2 4.3Å; R398-I430 CarbonylContact O-C 3.33Å; R398-I430 WeakPolarHBondContact O-CA 3.41Å; I399-I430 HydrophobicContact CG1-CG1 4.45Å; I399-I430 HydrophobicContact CG1-CG2 4.3Å; I430-L438 HydrophobicContact CB-CD1 3.99Å; I430-L438 HydrophobicContact CG2-CD1 3.66Å; I430-A441 HydrophobicContact CD1-CB 4.4Å; I430-A441 HydrophobicContact CG2-CB 3.91Å; I430-V442 HydrophobicContact CD1-CB 4.4Å; I430-V442 HydrophobicContact CD1-CG2 3.57Å; I430-I445 HydrophobicContact CD1-CD1 3.49Å; I430-I445 VanDerWaalsContact CD1-CD1 3.49Å; I430-I445 HydrophobicContact CG1-CD1 3.82Å
431T91.5Very high87.5Confident17 Ų1750.3 Ų50.310%0.10428%0.282CS..EExtended strand (participates in β ladder)trans-127.6132172.856.10000110.5M360 R398 Y429M360-T431 WeakPolarHBondContact O-CA 3.37Å; R398-T431 WeakPolarHBondContact CB-OG1 3.24Å; R398-T431 PolarHBondContact N-O 3.48Å; R398-T431 PolarHBondContact O-N 3.21Å; R398-T431 PolarHBondContact O-OG1 3.1Å; Y429-T431 HydrophobicContact CD1-CG2 3.84Å; Y429-T431 HydrophobicContact CE1-CG2 3.15Å
432A90.2Very high89.1Confident5 Ų550.1 Ų50.14%0.04128%0.275CS..EExtended strand (participates in β ladder)trans-135.9163.3-179.200000111.9R359 M360 T397 S437 L438R359-A432 WeakPolarHBondContact CA-O 3.11Å; M360-A432 HydrophobicContact CG-CB 3.94Å; M360-A432 WeakPolarHBondContact CG-O 3.43Å; M360-A432 PolarHBondContact N-O 3.39Å; M360-A432 VanDerWaalsContact N-O 3.16Å; M360-A432 PolarHBondContact O-N 3.1Å; M360-A432 HydrophobicContact SD-CB 4.25Å; T397-A432 HydrophobicContact CG2-CB 3.68Å; A432-S437 WeakPolarHBondContact CB-OG 3.31Å; A432-L438 HydrophobicContact CB-CB 3.92Å; A432-L438 HydrophobicContact CB-CD1 4.06Å
433S86.4Confident90.4Very high81 Ų8152.4 Ų52.457%0.56629%0.286SS*.SBendtrans-81.4-33.9165.537.50000111.9
434D87.7Confident91.3Very high93 Ų9352 Ų5250%0.49727%0.274SS..SBendtrans-125141.9-164-48.7-61.7000112.1E436 S437 L438D434-E436 PolarHBondContact O-N 2.77Å; D434-S437 PolarHBondContact O-N 2.78Å; D434-S437 PolarHBondContact O-OG 3.16Å; D434-L438 PolarHBondContact O-N 3.41Å; D434-L438 VanDerWaalsContact O-N 3.14Å
435A88Confident91.7Very high55 Ų5549 Ų4946%0.45526%0.26SS..Hα-helixtrans-62.6-43-172.600000112.3M360 S437 L438 Q439M360-A435 VanDerWaalsContact CE-CA 3.4Å; M360-A435 HydrophobicContact CE-CB 3.83Å; M360-A435 WeakPolarHBondContact SD-CA 3.44Å; M360-A435 HydrophobicContact SD-CB 4.27Å; M360-A435 PolarHBondContact SD-N 2.82Å; M360-A435 VanDerWaalsContact SD-N 3.36Å; A435-S437 VanDerWaalsContact C-N 3.34Å; A435-S437 PolarHBondContact O-N 3.04Å; A435-L438 PolarHBondContact O-N 2.74Å; A435-Q439 WeakPolarHBondContact O-CG 3.48Å; A435-Q439 PolarHBondContact O-N 3.15Å; A435-Q439 VanDerWaalsContact O-N 3.11Å
436E90.1Very high92Very high158 Ų15849.4 Ų49.474%0.73826%0.261SS*.Hα-helixtrans-65.7-38.9-179.1-59.5-179.5169.500111.6D434 Q439 S440D434-E436 PolarHBondContact O-N 2.77Å; E436-Q439 PolarHBondContact O-N 3.36Å; E436-S440 WeakPolarHBondContact O-CB 3.41Å; E436-S440 PolarHBondContact O-N 2.72Å; E436-S440 PolarHBondContact O-OG 3.36Å
437S91.3Very high92Very high17 Ų1751.1 Ų51.112%0.11927%0.273CS..Hα-helixtrans-67.8-37.1177.970.70000112.3T395 T397 A432 D434 A435 A441T395-S437 WeakPolarHBondContact O-CB 3.5Å; T397-S437 VanDerWaalsContact CG2-O 3.22Å; T397-S437 WeakPolarHBondContact CG2-O 3.23Å; A432-S437 WeakPolarHBondContact CB-OG 3.31Å; D434-S437 PolarHBondContact O-N 2.78Å; D434-S437 PolarHBondContact O-OG 3.16Å; A435-S437 VanDerWaalsContact C-N 3.34Å; A435-S437 PolarHBondContact O-N 3.04Å; S437-A441 WeakPolarHBondContact O-CB 3.41Å; S437-A441 PolarHBondContact O-N 3.11Å; S437-A441 VanDerWaalsContact O-N 3.1Å
438L92Very high92.1Very high15 Ų1551.3 Ų51.38%0.07927%0.274CS..Hα-helixtrans-64.4-49.5175.7-172.769.8000111.1M360 E362 I430 A432 D434 A435 A441 V442M360-L438 HydrophobicContact CB-CD2 3.95Å; M360-L438 HydrophobicContact CG-CB 4.36Å; M360-L438 HydrophobicContact CG-CD2 3.85Å; M360-L438 HydrophobicContact SD-CB 3.6Å; M360-L438 HydrophobicContact SD-CD2 3.6Å; M360-L438 HydrophobicContact SD-CG 4.19Å; E362-L438 HydrophobicContact CB-CD1 4.01Å; E362-L438 HydrophobicContact CB-CD2 4.06Å; E362-L438 HydrophobicContact CB-CG 4.15Å; I430-L438 HydrophobicContact CB-CD1 3.99Å; I430-L438 HydrophobicContact CG2-CD1 3.66Å; A432-L438 HydrophobicContact CB-CB 3.92Å; A432-L438 HydrophobicContact CB-CD1 4.06Å; D434-L438 PolarHBondContact O-N 3.41Å; D434-L438 VanDerWaalsContact O-N 3.14Å; A435-L438 PolarHBondContact O-N 2.74Å; L438-A441 PolarHBondContact O-N 3.5Å; L438-V442 VanDerWaalsContact O-CG2 3.26Å; L438-V442 WeakPolarHBondContact O-CG2 3.42Å; L438-V442 PolarHBondContact O-N 2.91Å
439Q93.3Very high92Very high116 Ų11651.9 Ų51.954%0.54228%0.277SS..Hα-helixtrans-61.7-45.2178.8-70.8175.6-1.100111.5A435 E436 A441 V442 E443A435-Q439 WeakPolarHBondContact O-CG 3.48Å; A435-Q439 PolarHBondContact O-N 3.15Å; A435-Q439 VanDerWaalsContact O-N 3.11Å; E436-Q439 PolarHBondContact O-N 3.36Å; Q439-A441 VanDerWaalsContact C-N 3.26Å; Q439-A441 PolarHBondContact O-N 3.11Å; Q439-V442 PolarHBondContact O-N 2.94Å; Q439-V442 VanDerWaalsContact O-N 3.13Å; Q439-E443 WeakPolarHBondContact O-CG 3.41Å; Q439-E443 PolarHBondContact O-N 3.2Å
440S93.4Very high91.8Very high59 Ų5953.7 Ų53.741%0.41329%0.288SS..Hα-helixtrans-57.7-38.8176.1-60.10000112.3E436 R444E436-S440 WeakPolarHBondContact O-CB 3.41Å; E436-S440 PolarHBondContact O-N 2.72Å; E436-S440 PolarHBondContact O-OG 3.36Å; S440-R444 WeakPolarHBondContact O-CB 3.4Å; S440-R444 PolarHBondContact O-N 2.82Å; S440-R444 VanDerWaalsContact O-N 3.09Å
441A93.9Very high91.6Very high1 Ų157.4 Ų57.41%0.00831%0.305CS..Hα-helixtrans-70-40.5176.500000113T395 T397 I430 S437 L438 Q439 R444 I445T395-A441 HydrophobicContact CG2-CB 3.92Å; T397-A441 HydrophobicContact CG2-CB 3.83Å; T397-A441 WeakPolarHBondContact OG1-CB 3.37Å; I430-A441 HydrophobicContact CD1-CB 4.4Å; I430-A441 HydrophobicContact CG2-CB 3.91Å; S437-A441 WeakPolarHBondContact O-CB 3.41Å; S437-A441 PolarHBondContact O-N 3.11Å; S437-A441 VanDerWaalsContact O-N 3.1Å; L438-A441 PolarHBondContact O-N 3.5Å; Q439-A441 VanDerWaalsContact C-N 3.26Å; Q439-A441 PolarHBondContact O-N 3.11Å; A441-R444 PolarHBondContact O-N 3.23Å; A441-I445 WeakPolarHBondContact O-CB 3.33Å; A441-I445 WeakPolarHBondContact O-CD1 3.43Å; A441-I445 WeakPolarHBondContact O-CG1 3.43Å; A441-I445 PolarHBondContact O-N 2.97Å
442V94.7Very high91.4Very high21 Ų2157.2 Ų57.213%0.12731%0.305CS..Hα-helixtrans-62.7-47.7176.6171.80000110.8E362 V364 I430 L438 Q439 R444 I445 T446E362-V442 HydrophobicContact CB-CG2 4.22Å; E362-V442 VanDerWaalsContact CD-CG2 3.42Å; E362-V442 HydrophobicContact CG-CG2 4.01Å; E362-V442 WeakPolarHBondContact OE2-CG2 3.34Å; V364-V442 HydrophobicContact CG2-CB 4.31Å; V364-V442 HydrophobicContact CG2-CG1 3.9Å; V364-V442 HydrophobicContact CG2-CG2 3.99Å; I430-V442 HydrophobicContact CD1-CB 4.4Å; I430-V442 HydrophobicContact CD1-CG2 3.57Å; L438-V442 VanDerWaalsContact O-CG2 3.26Å; L438-V442 WeakPolarHBondContact O-CG2 3.42Å; L438-V442 PolarHBondContact O-N 2.91Å; Q439-V442 PolarHBondContact O-N 2.94Å; Q439-V442 VanDerWaalsContact O-N 3.13Å; V442-R444 VanDerWaalsContact C-N 3.33Å; V442-R444 PolarHBondContact O-N 2.89Å; V442-I445 PolarHBondContact O-N 3.11Å; V442-T446 WeakPolarHBondContact O-CB 3.44Å; V442-T446 PolarHBondContact O-N 3.36Å; V442-T446 PolarHBondContact O-OG1 3.45Å
443E94.8Very high91.3Very high134 Ų13460.3 Ų60.363%0.62632%0.321SS*.Hα-helixtrans-59.4-44.7176.5-73.4177.4-172.900111.3Q439 I445 T446 S447Q439-E443 WeakPolarHBondContact O-CG 3.41Å; Q439-E443 PolarHBondContact O-N 3.2Å; E443-I445 PolarHBondContact O-N 3.4Å; E443-T446 PolarHBondContact O-N 3.27Å; E443-S447 VanDerWaalsContact O-CB 3.31Å; E443-S447 WeakPolarHBondContact O-CB 3.3Å; E443-S447 PolarHBondContact O-N 2.93Å
444R93Very high91.2Very high135 Ų13562.7 Ų62.751%0.50932%0.323SS..Hα-helixtrans-66.1-41.2-179.1-165.761.7172.8166.8-0.3112.7L391 S440 A441 V442 I448L391-R444 HydrophobicContact CD2-CB 4.37Å; L391-R444 HydrophobicContact CD2-CG 3.4Å; S440-R444 WeakPolarHBondContact O-CB 3.4Å; S440-R444 PolarHBondContact O-N 2.82Å; S440-R444 VanDerWaalsContact O-N 3.09Å; A441-R444 PolarHBondContact O-N 3.23Å; V442-R444 VanDerWaalsContact C-N 3.33Å; V442-R444 PolarHBondContact O-N 2.89Å; R444-I448 WeakPolarHBondContact O-CG1 3.19Å; R444-I448 PolarHBondContact O-N 2.87Å; R444-I448 VanDerWaalsContact O-N 3.16Å
445I94.2Very high90.9Very high3 Ų360.3 Ų60.32%0.01531%0.312CS..Hα-helixtrans-66-44.7176-72.2163.2000110.3V364 L380 I399 A428 I430 A441 V442 E443 S447 I448 I449V364-I445 HydrophobicContact CG1-CG2 4.1Å; L380-I445 HydrophobicContact CD2-CG2 4.28Å; I399-I445 HydrophobicContact CD1-CD1 4.08Å; I399-I445 HydrophobicContact CG1-CD1 4.32Å; I399-I445 HydrophobicContact CG2-CD1 3.92Å; A428-I445 HydrophobicContact CB-CD1 4.32Å; A428-I445 HydrophobicContact CB-CG2 4.42Å; I430-I445 HydrophobicContact CD1-CD1 3.49Å; I430-I445 VanDerWaalsContact CD1-CD1 3.49Å; I430-I445 HydrophobicContact CG1-CD1 3.82Å; A441-I445 WeakPolarHBondContact O-CB 3.33Å; A441-I445 WeakPolarHBondContact O-CD1 3.43Å; A441-I445 WeakPolarHBondContact O-CG1 3.43Å; A441-I445 PolarHBondContact O-N 2.97Å; V442-I445 PolarHBondContact O-N 3.11Å; E443-I445 PolarHBondContact O-N 3.4Å; I445-S447 VanDerWaalsContact C-N 3.32Å; I445-S447 PolarHBondContact O-N 2.73Å; I445-I448 PolarHBondContact O-N 2.88Å; I445-I449 HydrophobicContact CG2-CD1 3.78Å; I445-I449 HydrophobicContact CG2-CG1 4.48Å; I445-I449 WeakPolarHBondContact O-CG1 3.49Å; I445-I449 PolarHBondContact O-N 3.22Å
446T93.7Very high90.4Very high62 Ų6261.1 Ų61.138%0.3831%0.312SS..Hα-helixtrans-61.7-41.4178.2-54.70000111.1V442 E443 I448 I449 Q450V442-T446 WeakPolarHBondContact O-CB 3.44Å; V442-T446 PolarHBondContact O-N 3.36Å; V442-T446 PolarHBondContact O-OG1 3.45Å; E443-T446 PolarHBondContact O-N 3.27Å; T446-I448 PolarHBondContact O-N 3.36Å; T446-I449 PolarHBondContact O-N 3.2Å; T446-Q450 WeakPolarHBondContact O-CB 3.48Å; T446-Q450 PolarHBondContact O-N 2.97Å
447S92.9Very high89.7Confident37 Ų3758 Ų5826%0.25930%0.297SS..Hα-helixtrans-60.3-41.7175-178.50000112.5E443 I445 Q450 Q451E443-S447 VanDerWaalsContact O-CB 3.31Å; E443-S447 WeakPolarHBondContact O-CB 3.3Å; E443-S447 PolarHBondContact O-N 2.93Å; I445-S447 VanDerWaalsContact C-N 3.32Å; I445-S447 PolarHBondContact O-N 2.73Å; S447-Q450 PolarHBondContact O-N 3.36Å; S447-Q451 WeakPolarHBondContact O-CB 3.19Å; S447-Q451 VanDerWaalsContact O-CG 3.25Å; S447-Q451 WeakPolarHBondContact O-CG 3.36Å; S447-Q451 PolarHBondContact O-N 3Å
448I92Very high88.7Confident8 Ų861.2 Ų61.24%0.04132%0.32CS..Hα-helixtrans-67.2-39.6176.5-66.6166.2000111.3L379 L380 L391 R444 I445 T446 A452 L462L379-I448 HydrophobicContact CD2-CG2 3.92Å; L379-I448 HydrophobicContact CG-CG2 4.04Å; L380-I448 HydrophobicContact CD2-CB 4.21Å; L380-I448 HydrophobicContact CD2-CD1 4.39Å; L380-I448 HydrophobicContact CD2-CG2 3.87Å; L391-I448 HydrophobicContact CD1-CD1 3.8Å; L391-I448 HydrophobicContact CD2-CD1 3.96Å; L391-I448 HydrophobicContact CG-CD1 4.47Å; R444-I448 WeakPolarHBondContact O-CG1 3.19Å; R444-I448 PolarHBondContact O-N 2.87Å; R444-I448 VanDerWaalsContact O-N 3.16Å; I445-I448 PolarHBondContact O-N 2.88Å; T446-I448 PolarHBondContact O-N 3.36Å; I448-A452 WeakPolarHBondContact O-CB 3.41Å; I448-A452 PolarHBondContact O-N 3.37Å; I448-L462 HydrophobicContact CD1-CD2 4.5Å; I448-L462 HydrophobicContact CG1-CD2 4.24Å; I448-L462 HydrophobicContact CG2-CD2 4.02Å
449I91.5Very high88.2Confident14 Ų1466.5 Ų66.57%0.07235%0.345CS..Hα-helixtrans-64.3-45.8176.5-65.8165.4000109.9V364 I366 P367 F376 I445 T446 A452 L453V364-I449 HydrophobicContact CG1-CD1 4.31Å; I366-I449 HydrophobicContact CG1-CD1 3.94Å; P367-I449 HydrophobicContact CG-CG2 4.29Å; F376-I449 HydrophobicContact CE1-CG2 4.34Å; I445-I449 HydrophobicContact CG2-CD1 3.78Å; I445-I449 HydrophobicContact CG2-CG1 4.48Å; I445-I449 WeakPolarHBondContact O-CG1 3.49Å; I445-I449 PolarHBondContact O-N 3.22Å; T446-I449 PolarHBondContact O-N 3.2Å; I449-A452 WeakPolarHBondContact O-CB 3.4Å; I449-A452 PolarHBondContact O-N 3.2Å; I449-A452 VanDerWaalsContact O-N 3.07Å; I449-L453 HydrophobicContact CG2-CD1 4.16Å; I449-L453 WeakPolarHBondContact O-CG 3.38Å; I449-L453 PolarHBondContact O-N 2.9Å; I449-L453 VanDerWaalsContact O-N 3.08Å
450Q89.9Confident87.8Confident97 Ų9761.4 Ų61.445%0.45332%0.321SS..Hα-helixtrans-61.9-45.3177.9-174.1174.612.300111.8T446 S447 A452 L453 E454T446-Q450 WeakPolarHBondContact O-CB 3.48Å; T446-Q450 PolarHBondContact O-N 2.97Å; S447-Q450 PolarHBondContact O-N 3.36Å; Q450-A452 PolarHBondContact O-N 2.82Å; Q450-L453 PolarHBondContact O-N 3.45Å; Q450-E454 HydrophobicContact CG-CG 4.14Å; Q450-E454 VanDerWaalsContact CG-OE1 3.24Å; Q450-E454 WeakPolarHBondContact CG-OE1 3.16Å; Q450-E454 PolarHBondContact NE2-OE1 2.96Å; Q450-E454 PolarHBondContact O-N 3.34Å
451Q89.2Confident87.6Confident78 Ų7865.9 Ų65.936%0.36434%0.335SS..Hα-helixtrans-60.4-29.1173.5-74.4175.67.300113S447 V455 N460S447-Q451 WeakPolarHBondContact O-CB 3.19Å; S447-Q451 VanDerWaalsContact O-CG 3.25Å; S447-Q451 WeakPolarHBondContact O-CG 3.36Å; S447-Q451 PolarHBondContact O-N 3Å; Q451-V455 VanDerWaalsContact O-CB 3.27Å; Q451-V455 WeakPolarHBondContact O-CB 3.4Å; Q451-V455 PolarHBondContact O-N 3.2Å; Q451-N460 PolarHBondContact O-ND2 2.9Å
452A88.3Confident87.4Confident12 Ų1268 Ų6810%0.09935%0.346CS..Hα-helixtrans-76-29.5175.700000112.9L374 F376 L379 I448 I449 Q450L374-A452 WeakPolarHBondContact CD1-O 3.31Å; F376-A452 HydrophobicContact CD1-CB 4.09Å; F376-A452 HydrophobicContact CE1-CB 3.87Å; L379-A452 HydrophobicContact CD2-CB 3.65Å; I448-A452 WeakPolarHBondContact O-CB 3.41Å; I448-A452 PolarHBondContact O-N 3.37Å; I449-A452 WeakPolarHBondContact O-CB 3.4Å; I449-A452 PolarHBondContact O-N 3.2Å; I449-A452 VanDerWaalsContact O-N 3.07Å; Q450-A452 PolarHBondContact O-N 2.82Å
453L86.7Confident87.1Confident70 Ų7070 Ų7037%0.36635%0.351SS..Hα-helixtrans-83.3-45.3179.2-68.3173.2000112.5P367 H371 L374 F376 I449 Q450P367-L453 HydrophobicContact CG-CD1 4.18Å; H371-L453 HydrophobicContact CB-CD2 4.47Å; H371-L453 WeakPolarHBondContact CD2-CD2 3.37Å; L374-L453 HydrophobicContact CD1-CD2 4.31Å; F376-L453 HydrophobicContact CE1-CD2 4.12Å; F376-L453 HydrophobicContact CE1-CG 4.3Å; F376-L453 HydrophobicContact CZ-CD2 3.76Å; F376-L453 HydrophobicContact CZ-CG 4.42Å; I449-L453 HydrophobicContact CG2-CD1 4.16Å; I449-L453 WeakPolarHBondContact O-CG 3.38Å; I449-L453 PolarHBondContact O-N 2.9Å; I449-L453 VanDerWaalsContact O-N 3.08Å; Q450-L453 PolarHBondContact O-N 3.45Å
454E84.8Confident86.8Confident132 Ų13268.8 Ų68.862%0.61734%0.344SS*.Hα-helixtrans-77.6-39.1-175.8-68.3177.2177.300112.4Q450Q450-E454 HydrophobicContact CG-CG 4.14Å; Q450-E454 VanDerWaalsContact CG-OE1 3.24Å; Q450-E454 WeakPolarHBondContact CG-OE1 3.16Å; Q450-E454 PolarHBondContact NE2-OE1 2.96Å; Q450-E454 PolarHBondContact O-N 3.34Å
455V81.5Confident86.7Confident43 Ų4367.6 Ų67.626%0.26135%0.347SS..SBendtrans-98.6116.4-173.2-1720000109.4Q451 Q459 N460Q451-V455 VanDerWaalsContact O-CB 3.27Å; Q451-V455 WeakPolarHBondContact O-CB 3.4Å; Q451-V455 PolarHBondContact O-N 3.2Å; V455-Q459 HydrophobicContact CG1-CB 3.37Å; V455-N460 HydrophobicContact CG1-CB 4.25Å
456P77.5Confident86.6Confident71 Ų7168.2 Ų68.246%0.46135%0.35SS..  trans-58.8153.8177.423-32.1000111.4S458 Q459 N460P456-S458 PolarHBondContact O-N 2.72Å; P456-Q459 PolarHBondContact O-N 3.4Å; P456-N460 PolarHBondContact O-N 3.24Å
457E74.2Confident86.4Confident92 Ų9270.1 Ų70.143%0.4336%0.357SS..THydrogen-bonded Turntrans-51.2-26.9-170.1-52.5-163.4134.300114.7L374 R463L374-E457 HydrophobicContact CD2-CG 4.02Å; E457-R463 VanDerWaalsContact CD-CZ 3.48Å; E457-R463 VanDerWaalsContact CG-NH1 3.3Å; E457-R463 IonicContact OE1-CZ 2.86Å; E457-R463 IonicContact OE1-NH1 2.84Å; E457-R463 PolarHBondContact OE1-NH1 2.72Å; E457-R463 IonicContact OE1-NH2 2.75Å; E457-R463 PolarHBondContact OE1-NH2 3.01Å; E457-R463 IonicContact OE2-CZ 3.89Å; E457-R463 IonicContact OE2-NH1 2.79Å; E457-R463 IonicContact OE2-NH2 3.34Å; E457-R463 PolarHBondContact OE2-NH2 2.66Å
458S72.2Confident86.3Confident86 Ų8672.9 Ų72.960%0.60136%0.362SS*.THydrogen-bonded Turntrans-79.2-18.8-17963.10000114.4P456 K464P456-S458 PolarHBondContact O-N 2.72Å; S458-K464 WeakPolarHBondContact O-CE 3.3Å; S458-K464 PolarHBondContact O-NZ 3.41Å
459Q79.9Confident86.1Confident126 Ų12675.6 Ų75.659%0.58938%0.375SS*.THydrogen-bonded Turntrans-107.2-19.6-177.3-72-179.2600112.7V455 P456 E461V455-Q459 HydrophobicContact CG1-CB 3.37Å; P456-Q459 PolarHBondContact O-N 3.4Å; Q459-E461 PolarHBondContact O-N 3.15Å
460N86.2Confident86.1Confident9 Ų978.4 Ų78.45%0.04839%0.389CS..  trans-63.9108-178.7-171-48.2000111.8Q451 V455 P456 L462 R463 K464Q451-N460 PolarHBondContact O-ND2 2.9Å; V455-N460 HydrophobicContact CG1-CB 4.25Å; P456-N460 PolarHBondContact O-N 3.24Å; N460-L462 WeakPolarHBondContact OD1-CB 3.38Å; N460-L462 PolarHBondContact OD1-N 3.16Å; N460-L462 VanDerWaalsContact OD1-N 3.16Å; N460-R463 HydrophobicContact CB-CB 4.08Å; N460-R463 PolarHBondContact O-N 3.08Å; N460-R463 PolarHBondContact OD1-N 2.98Å; N460-K464 WeakPolarHBondContact O-CG 3.32Å; N460-K464 PolarHBondContact O-N 3.13Å
461E89.3Confident86.1Confident152 Ų15274.6 Ų74.671%0.7138%0.375SS*.Hα-helixtrans-64.6-40.9-177.1-62.9-172.4166.400112.5Q459 R463 K464 L465Q459-E461 PolarHBondContact O-N 3.15Å; E461-R463 VanDerWaalsContact C-N 3.33Å; E461-R463 PolarHBondContact O-N 3.41Å; E461-K464 WeakPolarHBondContact O-CB 3.48Å; E461-K464 PolarHBondContact O-N 3.43Å; E461-L465 WeakPolarHBondContact O-CG 3.46Å; E461-L465 PolarHBondContact O-N 2.85Å
462L88.4Confident86.1Confident46 Ų4675.4 Ų75.424%0.24138%0.381CS..Hα-helixtrans-60.1-45.6178.9-179.166.4000110.7L379 I448 N460 K464 L465 Q466L379-L462 HydrophobicContact CD1-CD2 4Å; L379-L462 HydrophobicContact CD1-CG 4.11Å; L379-L462 HydrophobicContact CG-CD2 4.3Å; I448-L462 HydrophobicContact CD1-CD2 4.5Å; I448-L462 HydrophobicContact CG1-CD2 4.24Å; I448-L462 HydrophobicContact CG2-CD2 4.02Å; N460-L462 WeakPolarHBondContact OD1-CB 3.38Å; N460-L462 PolarHBondContact OD1-N 3.16Å; N460-L462 VanDerWaalsContact OD1-N 3.16Å; L462-K464 PolarHBondContact O-N 2.81Å; L462-L465 PolarHBondContact O-N 3.18Å; L462-Q466 WeakPolarHBondContact O-CB 3.43Å; L462-Q466 VanDerWaalsContact O-CG 3.32Å; L462-Q466 WeakPolarHBondContact O-CG 3.26Å; L462-Q466 PolarHBondContact O-N 3.38Å
463R88.3Confident86.1Confident62 Ų6277.7 Ų77.723%0.23439%0.391CS..Hα-helixtrans-63-40.7177.8-170.7171178.6169.1-10112L379 E457 N460 E461 Q466 L467L379-R463 HydrophobicContact CD1-CB 3.97Å; L379-R463 HydrophobicContact CD1-CG 4.49Å; E457-R463 VanDerWaalsContact CD-CZ 3.48Å; E457-R463 VanDerWaalsContact CG-NH1 3.3Å; E457-R463 IonicContact OE1-CZ 2.86Å; E457-R463 IonicContact OE1-NH1 2.84Å; E457-R463 PolarHBondContact OE1-NH1 2.72Å; E457-R463 IonicContact OE1-NH2 2.75Å; E457-R463 PolarHBondContact OE1-NH2 3.01Å; E457-R463 IonicContact OE2-CZ 3.89Å; E457-R463 IonicContact OE2-NH1 2.79Å; E457-R463 IonicContact OE2-NH2 3.34Å; E457-R463 PolarHBondContact OE2-NH2 2.66Å; N460-R463 HydrophobicContact CB-CB 4.08Å; N460-R463 PolarHBondContact O-N 3.08Å; N460-R463 PolarHBondContact OD1-N 2.98Å; E461-R463 VanDerWaalsContact C-N 3.33Å; E461-R463 PolarHBondContact O-N 3.41Å; R463-Q466 PolarHBondContact O-N 3.42Å; R463-L467 HydrophobicContact CG-CD1 4.16Å; R463-L467 WeakPolarHBondContact O-CB 3.39Å; R463-L467 WeakPolarHBondContact O-CG 3.28Å; R463-L467 PolarHBondContact O-N 2.89Å
464K89.3Confident86.3Confident109 Ų10979.2 Ų79.247%0.47440%0.4SS..Hα-helixtrans-62.3-46.4175.5-71.7173.9-177.6170.50112S458 N460 E461 L462 Q466 L467 R468S458-K464 WeakPolarHBondContact O-CE 3.3Å; S458-K464 PolarHBondContact O-NZ 3.41Å; N460-K464 WeakPolarHBondContact O-CG 3.32Å; N460-K464 PolarHBondContact O-N 3.13Å; E461-K464 WeakPolarHBondContact O-CB 3.48Å; E461-K464 PolarHBondContact O-N 3.43Å; L462-K464 PolarHBondContact O-N 2.81Å; K464-Q466 PolarHBondContact O-N 2.84Å; K464-L467 PolarHBondContact O-N 2.98Å; K464-R468 WeakPolarHBondContact O-CB 3.41Å; K464-R468 PolarHBondContact O-N 3.18Å
465L90.7Very high86.3Confident110 Ų11076.2 Ų76.258%0.57641%0.405SS*.Hα-helixtrans-61.1-45178.3-71.8171.9000111.4E461 L462 L467 R468 E469E461-L465 WeakPolarHBondContact O-CG 3.46Å; E461-L465 PolarHBondContact O-N 2.85Å; L462-L465 PolarHBondContact O-N 3.18Å; L465-L467 PolarHBondContact O-N 2.98Å; L465-R468 PolarHBondContact O-N 3.33Å; L465-E469 WeakPolarHBondContact O-CB 3.47Å; L465-E469 PolarHBondContact O-N 2.89Å
466Q93Very high86.5Confident16 Ų1678.8 Ų78.88%0.07542%0.42CS..Hα-helixtrans-62.5-42176.8-75.1-179.6-7.700112.8L379 T387 L462 R463 K464 E469 L470L379-Q466 PolarHBondContact O-NE2 3.36Å; T387-Q466 PolarHBondContact OG1-NE2 3.49Å; L462-Q466 WeakPolarHBondContact O-CB 3.43Å; L462-Q466 VanDerWaalsContact O-CG 3.32Å; L462-Q466 WeakPolarHBondContact O-CG 3.26Å; L462-Q466 PolarHBondContact O-N 3.38Å; R463-Q466 PolarHBondContact O-N 3.42Å; K464-Q466 PolarHBondContact O-N 2.84Å; Q466-E469 PolarHBondContact O-N 3Å; Q466-L470 WeakPolarHBondContact O-CB 3.39Å; Q466-L470 PolarHBondContact O-N 3.45Å
467L89.9Confident86.4Confident102 Ų10276.3 Ų76.353%0.53440%0.403SS..Hα-helixtrans-66.1-38.7176.3-77.3166.7000111.8R463 K464 L465 L470 A471R463-L467 HydrophobicContact CG-CD1 4.16Å; R463-L467 WeakPolarHBondContact O-CB 3.39Å; R463-L467 WeakPolarHBondContact O-CG 3.28Å; R463-L467 PolarHBondContact O-N 2.89Å; K464-L467 PolarHBondContact O-N 2.98Å; L465-L467 PolarHBondContact O-N 2.98Å; L467-L470 PolarHBondContact O-N 2.92Å; L467-A471 VanDerWaalsContact O-CB 3.32Å; L467-A471 WeakPolarHBondContact O-CB 3.25Å; L467-A471 PolarHBondContact O-N 2.89Å
468R89.5Confident86.2Confident95 Ų9582.2 Ų82.236%0.35842%0.422SS..Hα-helixtrans-64.3-47.7175-174.6179-176.3162.85.2111.5K464 L465 L470 A471 L472 L477K464-R468 WeakPolarHBondContact O-CB 3.41Å; K464-R468 PolarHBondContact O-N 3.18Å; L465-R468 PolarHBondContact O-N 3.33Å; R468-L470 VanDerWaalsContact C-N 3.34Å; R468-L470 PolarHBondContact O-N 3.42Å; R468-A471 PolarHBondContact O-N 3.41Å; R468-L472 WeakPolarHBondContact O-CB 3.16Å; R468-L472 PolarHBondContact O-N 2.79Å; R468-L477 HydrophobicContact CG-CD1 4.45Å
469E89.1Confident85.5Confident66 Ų6680.4 Ų80.431%0.30842%0.416SS..Hα-helixtrans-62.1-41.9175.6-176.9-177179.200111.1P383 N386 L465 Q466 A471 L472 L473P383-E469 HydrophobicContact CG-CB 4.03Å; P383-E469 HydrophobicContact CG-CG 3.91Å; P383-E469 WeakPolarHBondContact CG-OE2 3.49Å; N386-E469 PolarHBondContact ND2-OE1 2.88Å; L465-E469 WeakPolarHBondContact O-CB 3.47Å; L465-E469 PolarHBondContact O-N 2.89Å; Q466-E469 PolarHBondContact O-N 3Å; E469-A471 PolarHBondContact O-N 3.43Å; E469-L472 PolarHBondContact O-N 3.32Å; E469-L473 HydrophobicContact CG-CD1 4.14Å; E469-L473 HydrophobicContact CG-CG 4.46Å; E469-L473 WeakPolarHBondContact O-CB 3.4Å; E469-L473 VanDerWaalsContact O-CG 3.29Å; E469-L473 WeakPolarHBondContact O-CG 3.49Å; E469-L473 PolarHBondContact O-N 3.41Å
470L90.9Very high84.7Confident72 Ų7279.9 Ų79.938%0.37742%0.417SS..Hα-helixtrans-61.1-44.5175.1-171.3145.4000111.9P383 Q466 L467 R468 L472 L473 N474P383-L470 HydrophobicContact CB-CB 4Å; P383-L470 HydrophobicContact CB-CD1 4.4Å; Q466-L470 WeakPolarHBondContact O-CB 3.39Å; Q466-L470 PolarHBondContact O-N 3.45Å; L467-L470 PolarHBondContact O-N 2.92Å; R468-L470 VanDerWaalsContact C-N 3.34Å; R468-L470 PolarHBondContact O-N 3.42Å; L470-L472 VanDerWaalsContact C-N 3.32Å; L470-L473 PolarHBondContact O-N 3.31Å; L470-N474 WeakPolarHBondContact CD2-ND2 3.44Å; L470-N474 VanDerWaalsContact O-CB 3.31Å; L470-N474 WeakPolarHBondContact O-CB 3.38Å; L470-N474 VanDerWaalsContact O-CG 3.26Å; L470-N474 PolarHBondContact O-N 2.88Å; L470-N474 PolarHBondContact O-ND2 2.98Å
471A90.2Very high83.5Confident17 Ų1784.1 Ų84.114%0.1444%0.437CS..Hα-helixtrans-65.5-36.5177.600000112L467 R468 E469 G475 T476 L477L467-A471 VanDerWaalsContact O-CB 3.32Å; L467-A471 WeakPolarHBondContact O-CB 3.25Å; L467-A471 PolarHBondContact O-N 2.89Å; R468-A471 PolarHBondContact O-N 3.41Å; E469-A471 PolarHBondContact O-N 3.43Å; A471-G475 PolarHBondContact O-N 3.06Å; A471-T476 PolarHBondContact O-N 2.92Å; A471-L477 HydrophobicContact CB-CB 4.08Å; A471-L477 HydrophobicContact CB-CD1 3.77Å; A471-L477 PolarHBondContact O-N 3.43Å
472L88.8Confident82Confident96 Ų9679.3 Ų79.350%0.50342%0.416SS..Hα-helixtrans-65.1-47.9173.6-164.1161000110.7R468 E469 L470 N474 G475R468-L472 WeakPolarHBondContact O-CB 3.16Å; R468-L472 PolarHBondContact O-N 2.79Å; E469-L472 PolarHBondContact O-N 3.32Å; L470-L472 VanDerWaalsContact C-N 3.32Å; L472-N474 VanDerWaalsContact C-N 3.32Å; L472-N474 PolarHBondContact O-N 2.88Å; L472-G475 PolarHBondContact O-N 3.21Å; L472-G475 VanDerWaalsContact O-N 3.13Å
473L88Confident80.5Confident59 Ų5978.2 Ų78.231%0.30941%0.413SS..Hα-helixtrans-66.8-30.5179.3-72175.7000113.9P383 R384 E469 L470 G475P383-L473 HydrophobicContact CB-CD1 4.29Å; R384-L473 HydrophobicContact CG-CD1 4.15Å; E469-L473 HydrophobicContact CG-CD1 4.14Å; E469-L473 HydrophobicContact CG-CG 4.46Å; E469-L473 WeakPolarHBondContact O-CB 3.4Å; E469-L473 VanDerWaalsContact O-CG 3.29Å; E469-L473 WeakPolarHBondContact O-CG 3.49Å; E469-L473 PolarHBondContact O-N 3.41Å; L470-L473 PolarHBondContact O-N 3.31Å; L473-G475 VanDerWaalsContact C-N 3.34Å
474N90.4Very high79.1Confident102 Ų10280.3 Ų80.355%0.54543%0.429SS..THydrogen-bonded Turntrans-86.4-7.1175.7-69.5-16.5000112.8L470 L472 T476L470-N474 WeakPolarHBondContact CD2-ND2 3.44Å; L470-N474 VanDerWaalsContact O-CB 3.31Å; L470-N474 WeakPolarHBondContact O-CB 3.38Å; L470-N474 VanDerWaalsContact O-CG 3.26Å; L470-N474 PolarHBondContact O-N 2.88Å; L470-N474 PolarHBondContact O-ND2 2.98Å; L472-N474 VanDerWaalsContact C-N 3.32Å; L472-N474 PolarHBondContact O-N 2.88Å; N474-T476 HydrophobicContact CB-CG2 4.21Å; N474-T476 PolarHBondContact O-N 3.48Å
475G84.5Confident77.6Confident70 Ų7077.9 Ų77.972%0.72243%0.429SS*.THydrogen-bonded Turntrans66.717.4-176.600000114.1A471 L472 L473A471-G475 PolarHBondContact O-N 3.06Å; L472-G475 PolarHBondContact O-N 3.21Å; L472-G475 VanDerWaalsContact O-N 3.13Å; L473-G475 VanDerWaalsContact C-N 3.34Å
476T87.1Confident76.1Confident96 Ų9676.8 Ų76.859%0.58943%0.427SS*.  trans-98.41-179.359.40000112.9A471 N474 R478A471-T476 PolarHBondContact O-N 2.92Å; N474-T476 HydrophobicContact CB-CG2 4.21Å; N474-T476 PolarHBondContact O-N 3.48Å; T476-R478 PolarHBondContact O-N 3.11Å; T476-R478 VanDerWaalsContact O-N 3.16Å
477L73.7Confident74.6Confident19 Ų1982.8 Ų82.810%0.09945%0.45CS..  trans-59.6120.3179.8-169.366.8000109.4R468 A471 E481 L482R468-L477 HydrophobicContact CG-CD1 4.45Å; A471-L477 HydrophobicContact CB-CB 4.08Å; A471-L477 HydrophobicContact CB-CD1 3.77Å; A471-L477 PolarHBondContact O-N 3.43Å; L477-E481 HydrophobicContact CD1-CB 4.35Å; L477-E481 HydrophobicContact CD2-CB 4.43Å; L477-E481 HydrophobicContact CG-CB 4.43Å; L477-L482 HydrophobicContact CD2-CB 4Å; L477-L482 HydrophobicContact CD2-CD1 4.02Å; L477-L482 HydrophobicContact CG-CB 4.25Å
478R70.5Confident73.5Confident217 Ų21785.4 Ų85.482%0.81946%0.457SS*.  trans-64.8141.9-179.4-70.4-177.2176.4171.8-0.7109.5T476 D480 E481 L482T476-R478 PolarHBondContact O-N 3.11Å; T476-R478 VanDerWaalsContact O-N 3.16Å; R478-D480 PolarHBondContact O-N 3.39Å; R478-E481 PolarHBondContact O-N 2.93Å; R478-L482 PolarHBondContact O-N 3.19Å
479G57.6Low72.6Confident48 Ų4881 Ų8150%0.49544%0.441SS..Hα-helixtrans-54.3-22.8-166.500000115.9A483G479-A483 WeakPolarHBondContact O-CA 3.49Å; G479-A483 WeakPolarHBondContact O-CB 3.48Å; G479-A483 PolarHBondContact O-N 2.92Å
480D63.8Low71.7Confident114 Ų11482.7 Ų82.761%0.6146%0.46SS*.Hα-helixtrans-70.6-39.6-177.7-61.4-49.2000112.9R478 L484 K498R478-D480 PolarHBondContact O-N 3.39Å; D480-L484 PolarHBondContact O-N 3.39Å; D480-K498 IonicContact OD1-NZ 3.27Å; D480-K498 PolarHBondContact OD1-NZ 2.87Å
481E60Low70.4Confident99 Ų9983.7 Ų83.746%0.46347%0.465SS..Hα-helixtrans-84.6-27.4174.7-77.1-171152.200113L477 R478 A485L477-E481 HydrophobicContact CD1-CB 4.35Å; L477-E481 HydrophobicContact CD2-CB 4.43Å; L477-E481 HydrophobicContact CG-CB 4.43Å; R478-E481 PolarHBondContact O-N 2.93Å; E481-A485 WeakPolarHBondContact O-CB 3.49Å; E481-A485 PolarHBondContact O-N 3.29Å; E481-A485 VanDerWaalsContact O-N 3.12Å
482L59.2Low69.6Low50 Ų5085.2 Ų85.226%0.26248%0.475SS..Hα-helixtrans-71.6-36.1173.5-170.964.6000111L477 R478 T486 Y487L477-L482 HydrophobicContact CD2-CB 4Å; L477-L482 HydrophobicContact CD2-CD1 4.02Å; L477-L482 HydrophobicContact CG-CB 4.25Å; R478-L482 PolarHBondContact O-N 3.19Å; L482-T486 WeakPolarHBondContact O-CB 3.36Å; L482-T486 PolarHBondContact O-N 3.04Å; L482-Y487 HydrophobicContact CD2-CE2 4.47Å; L482-Y487 HydrophobicContact CG-CE2 4.22Å
483A55Low68.7Low23 Ų2382.8 Ų82.819%0.1947%0.473CS..Hα-helixtrans-61.8-46.2173.200000110.8G479 Y487G479-A483 WeakPolarHBondContact O-CA 3.49Å; G479-A483 WeakPolarHBondContact O-CB 3.48Å; G479-A483 PolarHBondContact O-N 2.92Å; A483-Y487 CarbonylContact O-C 3.5Å; A483-Y487 WeakPolarHBondContact O-CA 3.39Å; A483-Y487 WeakPolarHBondContact O-CB 3.47Å; A483-Y487 PolarHBondContact O-N 3.28Å; A483-Y487 VanDerWaalsContact O-O 3.09Å
484L59.6Low67.8Low107 Ų10781.5 Ų81.556%0.5647%0.471SS*.Hα-helixtrans-70.7-33.5-177.7-151.475.8000113.6D480 S495D480-L484 PolarHBondContact O-N 3.39Å; L484-S495 WeakPolarHBondContact CD1-O 3.43Å
485A57.1Low66.9Low58 Ų5879.8 Ų79.848%0.47947%0.467SS..Hα-helixtrans-97.8-15.9-175.500000115E481E481-A485 WeakPolarHBondContact O-CB 3.49Å; E481-A485 PolarHBondContact O-N 3.29Å; E481-A485 VanDerWaalsContact O-N 3.12Å
486T59.5Low66.2Low87 Ų8781.8 Ų81.853%0.53447%0.465SS..Hα-helixtrans-130.4-25.1-175.1-53.20000113.1L482L482-T486 WeakPolarHBondContact O-CB 3.36Å; L482-T486 PolarHBondContact O-N 3.04Å
487Y62.9Low65.5Low142 Ų14278.9 Ų78.956%0.55745%0.445SS*.  trans-102.886.9179.7-67.5-92.5000111.1L482 A483 C489L482-Y487 HydrophobicContact CD2-CE2 4.47Å; L482-Y487 HydrophobicContact CG-CE2 4.22Å; A483-Y487 CarbonylContact O-C 3.5Å; A483-Y487 WeakPolarHBondContact O-CA 3.39Å; A483-Y487 WeakPolarHBondContact O-CB 3.47Å; A483-Y487 PolarHBondContact O-N 3.28Å; A483-Y487 VanDerWaalsContact O-O 3.09Å; Y487-C489 PolarHBondContact O-N 2.5Å
488K66.8Low65.3Low157 Ų15781.6 Ų81.668%0.68346%0.456SS*.  trans-52.5132.8155.453.5-175177.4-175.20109.4S490 G493K488-S490 PolarHBondContact O-N 3.4Å; K488-S490 VanDerWaalsContact O-N 3.16Å; K488-G493 WeakPolarHBondContact CB-O 3.36Å
489C69.4Low65.3Low2 Ų273.6 Ų73.61%0.01443%0.433CS..  trans-49.5125.6175160.50000108.2Y487 N491 C492 G493 A494 H497 C502Y487-C489 PolarHBondContact O-N 2.5Å; C489-N491 PolarHBondContact O-N 3.45Å; C489-N491 VanDerWaalsContact O-N 3.08Å; C489-N491 PolarHBondContact SG-N 2.9Å; C489-C492 PolarHBondContact SG-N 3.27Å; C489-C492 PolarHBondContact SG-SG 2.93Å; C489-G493 VanDerWaalsContact O-CA 3.28Å; C489-G493 WeakPolarHBondContact O-CA 3.3Å; C489-G493 PolarHBondContact O-N 3.49Å; C489-A494 PolarHBondContact N-O 2.95Å; C489-H497 WeakPolarHBondContact CB-NE2 2.91Å; C489-H497 PolarHBondContact SG-NE2 3.37Å; C489-H497 VanDerWaalsContact SG-NE2 3.37Å; C489-C502 WeakPolarHBondContact CB-SG 3.35Å; C489-C502 WeakPolarHBondContact SG-CB 3.46Å; C489-C502 CovalentContact SG-SG 2.07Å; C489-C502 PolarHBondContact SG-SG 2.91Å
490S70.5Confident65.7Low101 Ų10178.2 Ų78.271%0.70644%0.436SS*.THydrogen-bonded Turntrans-63.6-15.5-178.7-170.30000113.2K488 S499K488-S490 PolarHBondContact O-N 3.4Å; K488-S490 VanDerWaalsContact O-N 3.16Å; S490-S499 PolarHBondContact N-OG 2.94Å
491N63.7Low66Low93 Ų9377.6 Ų77.650%0.49743%0.429SS..THydrogen-bonded Turntrans-100.5-37.3-176-6613.6000113.4C489C489-N491 PolarHBondContact O-N 3.45Å; C489-N491 VanDerWaalsContact O-N 3.08Å; C489-N491 PolarHBondContact SG-N 2.9Å
492C73.8Confident66.4Low49 Ų4973 Ų7333%0.33141%0.408SS..THydrogen-bonded Turntrans-126.7-1.6-177.9710000114.7C489 A494 H497C489-C492 PolarHBondContact SG-N 3.27Å; C489-C492 PolarHBondContact SG-SG 2.93Å; C492-A494 PolarHBondContact O-N 3.35Å; C492-A494 VanDerWaalsContact O-N 3.13Å; C492-H497 PolarHBondContact SG-CE1 2.86Å; C492-H497 PolarHBondContact SG-NE2 3.28Å
493G69.4Low67Low45 Ų4575.8 Ų75.846%0.46443%0.429SS..  trans74-4.5176.800000115.8K488 C489K488-G493 WeakPolarHBondContact CB-O 3.36Å; C489-G493 VanDerWaalsContact O-CA 3.28Å; C489-G493 WeakPolarHBondContact O-CA 3.3Å; C489-G493 PolarHBondContact O-N 3.49Å
494A69.4Low67.5Low32 Ų3279.6 Ų79.626%0.26445%0.446SS..  trans-70.9144.317800000111.8C489 C492 T496C489-A494 PolarHBondContact N-O 2.95Å; C492-A494 PolarHBondContact O-N 3.35Å; C492-A494 VanDerWaalsContact O-N 3.13Å; A494-T496 VanDerWaalsContact C-N 3.29Å
495S70.4Confident67.8Low67 Ų6782.7 Ų82.747%0.46945%0.45SS..SBendtrans-87.23171.958.70000113L484L484-S495 WeakPolarHBondContact CD1-O 3.43Å
496T71.4Confident68.1Low112 Ų11284.2 Ų84.269%0.68746%0.455SS*.SBendtrans-86.4-8.8-169.958.40000114.1A494A494-T496 VanDerWaalsContact C-N 3.29Å
497H71.7Confident68Low34 Ų3484.7 Ų84.716%0.15746%0.455CS..SBendtrans-157162.1-178.356.2-89.6000111.3C489 C492 E501 C502C489-H497 WeakPolarHBondContact CB-NE2 2.91Å; C489-H497 PolarHBondContact SG-NE2 3.37Å; C489-H497 VanDerWaalsContact SG-NE2 3.37Å; C492-H497 PolarHBondContact SG-CE1 2.86Å; C492-H497 PolarHBondContact SG-NE2 3.28Å; H497-E501 HydrophobicContact CB-CB 4.4Å; H497-C502 WeakPolarHBondContact CD2-CA 3.37Å; H497-C502 PolarHBondContact CD2-SG 3.28Å; H497-C502 VanDerWaalsContact NE2-CA 3.31Å; H497-C502 WeakPolarHBondContact NE2-CA 3.49Å; H497-C502 WeakPolarHBondContact NE2-CB 3.45Å; H497-C502 PolarHBondContact NE2-SG 3.21Å
498K68.8Low68Low76 Ų7682.2 Ų82.233%0.3345%0.454SS..  trans-76.8151.2177.6-61.5163.8-179.3178.80109.4D480 W500 E501 C502D480-K498 IonicContact OD1-NZ 3.27Å; D480-K498 PolarHBondContact OD1-NZ 2.87Å; K498-W500 HydrophobicContact CB-CG 4.44Å; K498-W500 HydrophobicContact CB-CZ2 4.44Å; K498-W500 VanDerWaalsContact CB-NE1 3.33Å; K498-W500 HydrophobicContact CD-CZ2 3.57Å; K498-W500 PolarHBondContact O-N 3.43Å; K498-E501 PolarHBondContact O-N 2.84Å; K498-C502 PolarHBondContact O-N 3.43Å
499S70.8Confident67.9Low49 Ų4978.7 Ų78.734%0.34345%0.446SS..THydrogen-bonded Turntrans-52.6-20.1-176.9-53.40000115.9S490 C502S490-S499 PolarHBondContact N-OG 2.94Å; S499-C502 WeakPolarHBondContact CA-SG 3.29Å; S499-C502 PolarHBondContact O-SG 3.23Å
500W67.3Low67.8Low146 Ų14680.6 Ų80.655%0.55346%0.462SS*.THydrogen-bonded Turntrans-97.6-12.2-179.953.2-85.3000114.1K498 R505K498-W500 HydrophobicContact CB-CG 4.44Å; K498-W500 HydrophobicContact CB-CZ2 4.44Å; K498-W500 VanDerWaalsContact CB-NE1 3.33Å; K498-W500 HydrophobicContact CD-CZ2 3.57Å; K498-W500 PolarHBondContact O-N 3.43Å; W500-R505 VanDerWaalsContact O-CZ 3.25Å; W500-R505 PolarHBondContact O-NH1 3.43Å; W500-R505 PolarHBondContact O-NH2 3.25Å
501E68.7Low67.8Low100 Ų10081.9 Ų81.947%0.46746%0.461SS..SBendtrans-103.410174.9-91.1157.7168.800111.7H497 K498 P503H497-E501 HydrophobicContact CB-CB 4.4Å; K498-E501 PolarHBondContact O-N 2.84Å; E501-P503 VanDerWaalsContact O-CD 3.31Å; E501-P503 WeakPolarHBondContact O-CD 3.12Å
502C68.1Low68.4Low4 Ų480.1 Ų80.13%0.02745%0.451CS..  trans-63.4119.6177.8-42.40000109.3C489 H497 K498 S499 D504 R505C489-C502 WeakPolarHBondContact CB-SG 3.35Å; C489-C502 WeakPolarHBondContact SG-CB 3.46Å; C489-C502 CovalentContact SG-SG 2.07Å; C489-C502 PolarHBondContact SG-SG 2.91Å; H497-C502 WeakPolarHBondContact CD2-CA 3.37Å; H497-C502 PolarHBondContact CD2-SG 3.28Å; H497-C502 VanDerWaalsContact NE2-CA 3.31Å; H497-C502 WeakPolarHBondContact NE2-CA 3.49Å; H497-C502 WeakPolarHBondContact NE2-CB 3.45Å; H497-C502 PolarHBondContact NE2-SG 3.21Å; K498-C502 PolarHBondContact O-N 3.43Å; S499-C502 WeakPolarHBondContact CA-SG 3.29Å; S499-C502 PolarHBondContact O-SG 3.23Å; C502-D504 PolarHBondContact O-N 3.3Å; C502-R505 PolarHBondContact O-N 3Å
503P73.3Confident68.7Low107 Ų10784.8 Ų84.870%0.69547%0.466SS*.SBendtrans-62.6-24.5179.524.9-32.7000111.3E501 R505E501-P503 VanDerWaalsContact O-CD 3.31Å; E501-P503 WeakPolarHBondContact O-CD 3.12Å; P503-R505 PolarHBondContact O-N 3.45Å; P503-R505 VanDerWaalsContact O-N 3.08Å
504D66Low69.3Low103 Ų10382.8 Ų82.855%0.55145%0.445SS*.  trans-82.650.5172.8-55.5-39.5000112.1C502 P506C502-D504 PolarHBondContact O-N 3.3Å; D504-P506 WeakPolarHBondContact O-CD 3.11Å
505R64.6Low70Confident172 Ų17285.7 Ų85.765%0.64947%0.468SS*.  trans-82.992.8174.9-125.5180-178.1173.62.4109.2W500 C502 P503 N507W500-R505 VanDerWaalsContact O-CZ 3.25Å; W500-R505 PolarHBondContact O-NH1 3.43Å; W500-R505 PolarHBondContact O-NH2 3.25Å; C502-R505 PolarHBondContact O-N 3Å; P503-R505 PolarHBondContact O-N 3.45Å; P503-R505 VanDerWaalsContact O-N 3.08Å; R505-N507 PolarHBondContact O-N 2.91Å
506P62.9Low70.4Confident90 Ų9086.2 Ų86.258%0.58447%0.465SS*.  trans-65.7128.7157.630.3-33.1000106.3D504 V508D504-P506 WeakPolarHBondContact O-CD 3.11Å; P506-V508 PolarHBondContact O-N 2.82Å
507N57.5Low71Confident98 Ų9882.7 Ų82.752%0.52445%0.445SS..  trans-6380.4177.5-178.23.6000110.5R505 T509 A510R505-N507 PolarHBondContact O-N 2.91Å; N507-T509 PolarHBondContact O-N 3.47Å; N507-T509 PolarHBondContact OD1-N 3.3Å; N507-T509 PolarHBondContact OD1-OG1 2.97Å; N507-A510 HydrophobicContact CB-CB 4.22Å; N507-A510 VanDerWaalsContact CG-CB 3.47Å; N507-A510 WeakPolarHBondContact ND2-CB 3.25Å; N507-A510 PolarHBondContact O-N 3.15Å; N507-A510 PolarHBondContact OD1-N 3.36Å
508V64.2Low71.4Confident89 Ų8983.6 Ų83.654%0.53946%0.463SS..G310 helixtrans-62.9-27.5177.2-175.60000110.3P506 A510 N511 I512P506-V508 PolarHBondContact O-N 2.82Å; V508-A510 VanDerWaalsContact C-N 3.28Å; V508-A510 PolarHBondContact O-N 3.49Å; V508-N511 PolarHBondContact O-N 2.97Å; V508-N511 VanDerWaalsContact O-N 3.11Å; V508-I512 HydrophobicContact CG1-CD1 4.32Å; V508-I512 WeakPolarHBondContact O-CG1 3.35Å; V508-I512 PolarHBondContact O-N 3.2Å
509T63.4Low71.8Confident83 Ų8385 Ų8551%0.50947%0.474SS..G310 helixtrans-62.9-26.6173320000114.1N507 G521N507-T509 PolarHBondContact O-N 3.47Å; N507-T509 PolarHBondContact OD1-N 3.3Å; N507-T509 PolarHBondContact OD1-OG1 2.97Å; T509-G521 VanDerWaalsContact O-CA 3.27Å; T509-G521 WeakPolarHBondContact O-CA 3.49Å; T509-G521 PolarHBondContact O-N 2.75Å
510A67.2Low72.2Confident42 Ų4285.1 Ų85.135%0.34748%0.479SS..G310 helixtrans-77.5-21.3173.300000113.6N507 V508N507-A510 HydrophobicContact CB-CB 4.22Å; N507-A510 VanDerWaalsContact CG-CB 3.47Å; N507-A510 WeakPolarHBondContact ND2-CB 3.25Å; N507-A510 PolarHBondContact O-N 3.15Å; N507-A510 PolarHBondContact OD1-N 3.36Å; V508-A510 VanDerWaalsContact C-N 3.28Å; V508-A510 PolarHBondContact O-N 3.49Å
511N71.3Confident72.8Confident128 Ų12880.3 Ų80.368%0.68448%0.475SS*.SBendtrans-93.5-2.6-178.9-63.6-2.2000112.7V508V508-N511 PolarHBondContact O-N 2.97Å; V508-N511 VanDerWaalsContact O-N 3.11Å
512I76.6Confident73.3Confident57 Ų5777.8 Ų77.829%0.29246%0.463SS..  trans-93.6104.5176.2-62165.1000108.8V508 A520 G521 I523V508-I512 HydrophobicContact CG1-CD1 4.32Å; V508-I512 WeakPolarHBondContact O-CG1 3.35Å; V508-I512 PolarHBondContact O-N 3.2Å; I512-A520 WeakPolarHBondContact O-CA 2.94Å; I512-G521 PolarHBondContact O-N 3.07Å; I512-I523 HydrophobicContact CG2-CG1 4.01Å
513F80.6Confident74Confident147 Ų14782.2 Ų82.265%0.64549%0.485SS*.BIsolated β-bridgetrans-88.1131170.4-61.4-78.9000110.4A515 A520F513-A515 PolarHBondContact O-N 2.78Å; F513-A520 HydrophobicContact CD1-CB 4.17Å; F513-A520 HydrophobicContact CE1-CB 4.15Å
514C82.2Confident74.3Confident3 Ų378.7 Ų78.72%0.0247%0.465CS..  trans-72124.7177.2177.40000111.5L516 C517 G518 N519 H522C514-L516 PolarHBondContact O-N 3.44Å; C514-L516 PolarHBondContact SG-N 2.85Å; C514-L516 VanDerWaalsContact SG-N 3.4Å; C514-C517 VanDerWaalsContact CB-SG 3.6Å; C514-G518 VanDerWaalsContact O-CA 3.31Å; C514-G518 WeakPolarHBondContact O-CA 3.33Å; C514-G518 PolarHBondContact O-N 2.72Å; C514-N519 WeakPolarHBondContact CB-O 3.14Å; C514-N519 PolarHBondContact N-O 3.38Å; C514-H522 VanDerWaalsContact CB-NE2 3.34Å; C514-H522 WeakPolarHBondContact CB-NE2 2.88Å; C514-H522 PolarHBondContact SG-NE2 3.33Å
515A83.4Confident74.9Confident92 Ų9284.8 Ų84.876%0.7648%0.48SS*.THydrogen-bonded Turntrans-67.1-15.7178.200000114.5F513 A524F513-A515 PolarHBondContact O-N 2.78Å; A515-A524 HydrophobicContact CB-CB 4.16Å
516L79.3Confident75.6Confident78 Ų7882 Ų8241%0.40848%0.478SS..THydrogen-bonded Turntrans-98.4-24.6-178.1-62.6179.6000114.2C514 A524 C527 P530C514-L516 PolarHBondContact O-N 3.44Å; C514-L516 PolarHBondContact SG-N 2.85Å; C514-L516 VanDerWaalsContact SG-N 3.4Å; L516-A524 HydrophobicContact CD1-CB 4.31Å; L516-A524 WeakPolarHBondContact CD1-O 3.28Å; L516-A524 HydrophobicContact CG-CB 4.07Å; L516-C527 HydrophobicContact CB-CB 4.17Å; L516-C527 HydrophobicContact CD1-CB 4.11Å; L516-P530 HydrophobicContact CD1-CB 4.34Å
517C82.6Confident76.4Confident38 Ų3878.4 Ų78.426%0.25746%0.455SS..THydrogen-bonded Turntrans-134.3-2.6-178.272.40000115C514 N519 H522 C527C514-C517 VanDerWaalsContact CB-SG 3.6Å; C517-N519 PolarHBondContact O-N 2.7Å; C517-H522 PolarHBondContact SG-CE1 2.98Å; C517-H522 PolarHBondContact SG-NE2 3.29Å; C517-C527 PolarHBondContact SG-SG 3.24Å
518G80.2Confident77.5Confident53 Ų5383.5 Ų83.555%0.54647%0.473SS..  trans72.3-9.4179.600000115.6C514C514-G518 VanDerWaalsContact O-CA 3.31Å; C514-G518 WeakPolarHBondContact O-CA 3.33Å; C514-G518 PolarHBondContact O-N 2.72Å
519N77Confident77.9Confident105 Ų10585.1 Ų85.156%0.56148%0.479SS*.  trans-75.9139.4-178.8-66.9-23.8000111.6C514 C517C514-N519 WeakPolarHBondContact CB-O 3.14Å; C514-N519 PolarHBondContact N-O 3.38Å; C517-N519 PolarHBondContact O-N 2.7Å
520A81.1Confident78Confident53 Ų5384.6 Ų84.644%0.43848%0.477SS..BIsolated β-bridgetrans-69.6151171.900000111.2I512 F513I512-A520 WeakPolarHBondContact O-CA 2.94Å; F513-A520 HydrophobicContact CD1-CB 4.17Å; F513-A520 HydrophobicContact CE1-CB 4.15Å
521G78.9Confident77.7Confident45 Ų4586.8 Ų86.846%0.46449%0.494SS..THydrogen-bonded Turntrans107.9-1.8169.200000116.8T509 I512T509-G521 VanDerWaalsContact O-CA 3.27Å; T509-G521 WeakPolarHBondContact O-CA 3.49Å; T509-G521 PolarHBondContact O-N 2.75Å; I512-G521 PolarHBondContact O-N 3.07Å
522H78.4Confident76.9Confident47 Ų4786.2 Ų86.222%0.21849%0.491CS..SBendtrans-153.1154.1175.963.7-76.8000112.6C514 C517 D526 C527C514-H522 VanDerWaalsContact CB-NE2 3.34Å; C514-H522 WeakPolarHBondContact CB-NE2 2.88Å; C514-H522 PolarHBondContact SG-NE2 3.33Å; C517-H522 PolarHBondContact SG-CE1 2.98Å; C517-H522 PolarHBondContact SG-NE2 3.29Å; H522-D526 HydrophobicContact CB-CB 4.39Å; H522-C527 VanDerWaalsContact CD2-CA 3.43Å; H522-C527 WeakPolarHBondContact CD2-CA 3.01Å; H522-C527 PolarHBondContact NE2-SG 2.8Å; H522-C527 VanDerWaalsContact NE2-SG 3.38Å
523I83.3Confident75.7Confident96 Ų9689.7 Ų89.749%0.49252%0.517SS..  trans-82152.7176.7-56.9167.2000108.4I512 R525 D526I512-I523 HydrophobicContact CG2-CG1 4.01Å; I523-R525 PolarHBondContact O-N 2.92Å; I523-D526 PolarHBondContact O-N 2.69Å
524A79.9Confident74.5Confident33 Ų3386.1 Ų86.127%0.27352%0.522SS..G310 helixtrans-48.8-28.8-179.900000114.7A515 L516 C527A515-A524 HydrophobicContact CB-CB 4.16Å; L516-A524 HydrophobicContact CD1-CB 4.31Å; L516-A524 WeakPolarHBondContact CD1-O 3.28Å; L516-A524 HydrophobicContact CG-CB 4.07Å; A524-C527 WeakPolarHBondContact O-CB 3.05Å
525R78.8Confident73.1Confident231 Ų23190.1 Ų90.187%0.87255%0.55SS**G310 helixtrans-70.4-28.9176.6-72.1-174.9172.8175.7-2.9114.1I523 C527I523-R525 PolarHBondContact O-N 2.92Å; R525-C527 VanDerWaalsContact C-N 3.34Å
526D78.9Confident71.5Confident113 Ų11389.5 Ų89.560%0.60455%0.545SS*.G310 helixtrans-99.212.8-178.6-57.9-49.7000112H522 I523 K528H522-D526 HydrophobicContact CB-CB 4.39Å; I523-D526 PolarHBondContact O-N 2.69Å; D526-K528 PolarHBondContact O-N 3.41Å
527C80.8Confident70.3Confident16 Ų1688.3 Ų88.311%0.10855%0.552CS.*  trans-69108.3-179.3-165.90000110.5L516 C517 H522 A524 R525 N529L516-C527 HydrophobicContact CB-CB 4.17Å; L516-C527 HydrophobicContact CD1-CB 4.11Å; C517-C527 PolarHBondContact SG-SG 3.24Å; H522-C527 VanDerWaalsContact CD2-CA 3.43Å; H522-C527 WeakPolarHBondContact CD2-CA 3.01Å; H522-C527 PolarHBondContact NE2-SG 2.8Å; H522-C527 VanDerWaalsContact NE2-SG 3.38Å; A524-C527 WeakPolarHBondContact O-CB 3.05Å; R525-C527 VanDerWaalsContact C-N 3.34Å; C527-N529 PolarHBondContact O-N 3.42Å; C527-N529 VanDerWaalsContact O-N 3.1Å; C527-N529 VanDerWaalsContact SG-C 3.58Å; C527-N529 PolarHBondContact SG-O 3.21Å
528K79.3Confident69Low205 Ų20590.2 Ų90.289%0.89157%0.57SS**SBendtrans-66.8-4.5173.3-69.1175.8177.4178.20113.5D526D526-K528 PolarHBondContact O-N 3.41Å
529N73Confident68.1Low123 Ų12392 Ų9266%0.65857%0.571SS**  trans-142.275.8-178.2-136.819.2000111C527 A531C527-N529 PolarHBondContact O-N 3.42Å; C527-N529 VanDerWaalsContact O-N 3.1Å; C527-N529 VanDerWaalsContact SG-C 3.58Å; C527-N529 PolarHBondContact SG-O 3.21Å; N529-A531 PolarHBondContact O-N 3.29Å; N529-A531 VanDerWaalsContact O-N 3.09Å
530P64.4Low67.3Low72 Ų7292.7 Ų92.747%0.46857%0.574SS.*  trans-69.8105.6174.628.7-32.1000108.9L516 N532L516-P530 HydrophobicContact CD1-CB 4.34Å; P530-N532 PolarHBondContact O-N 2.75Å
531A60.9Low66.8Low87 Ų8795.4 Ų95.472%0.71958%0.581SS**SBendtrans-69.88.8-179.900000114.1N529N529-A531 PolarHBondContact O-N 3.29Å; N529-A531 VanDerWaalsContact O-N 3.09Å
532N56.5Low66.9Low116 Ų116100.1 Ų100.162%0.6259%0.591SS**  trans-150.994.9177.8-158.5-2.2000111.4P530 G534P530-N532 PolarHBondContact O-N 2.75Å; N532-G534 PolarHBondContact O-N 3.23Å; N532-G534 VanDerWaalsContact O-N 3.1Å
533P50.6Low66.7Low130 Ų130104.4 Ų104.484%0.84461%0.611SS**THydrogen-bonded Turntrans-75.510.6-174.428.7-33.2000115.1
534G54.2Low66.6Low72 Ų72106.9 Ų106.974%0.74262%0.615SS**THydrogen-bonded Turntrans-104.4-5.6-16900000118N532N532-G534 PolarHBondContact O-N 3.23Å; N532-G534 VanDerWaalsContact O-N 3.1Å
535S53Low66.5Low87 Ų87108.5 Ų108.561%0.60862%0.624SS**SBendtrans-122.6-22.7-163.4171.60000115.7
536A51Low66.6Low79 Ų79100.1 Ų100.165%0.65360%0.604SS**SBendtrans-84.4-15.9-171.500000115.3
537G53.3Low66.5Low54 Ų5499.2 Ų99.256%0.55760%0.599SS**Hα-helixtrans-79.2-31.8-174.100000115
538A56.2Low66.4Low77 Ų77102.4 Ų102.464%0.63662%0.615SS**Hα-helixtrans-80.8-28.5-170.500000113.9
539V60.2Low66.4Low92 Ų9296.4 Ų96.456%0.55860%0.603SS**Hα-helixtrans-82.7-29.9-174.1-174.60000112.1E543V539-E543 PolarHBondContact O-N 3.22Å
540L59.7Low66.5Low119 Ų11998.4 Ų98.462%0.62361%0.609SS**Hα-helixtrans-73.9-33177.8-103.3148.7000112.7E542 Y544L540-E542 VanDerWaalsContact C-N 3.31Å; L540-Y544 WeakPolarHBondContact O-CB 3.46Å; L540-Y544 PolarHBondContact O-N 3.2Å
541D72.2Confident67Low110 Ų110101.4 Ų101.459%0.58862%0.62SS**Hα-helixtrans-71.3-26.9175.9-77.2-13.8000112S545D541-S545 WeakPolarHBondContact O-CB 3.15Å; D541-S545 PolarHBondContact O-N 2.79Å; D541-S545 PolarHBondContact O-OG 2.96Å
542E79.9Confident66.7Low144 Ų14499.7 Ų99.767%0.67361%0.611SS**Hα-helixtrans-74-43.8177.2-166.8156.2-163.700111.9L540 S545 A546L540-E542 VanDerWaalsContact C-N 3.31Å; E542-S545 WeakPolarHBondContact CA-OG 3.28Å; E542-S545 PolarHBondContact O-OG 3.37Å; E542-S545 VanDerWaalsContact O-OG 3.14Å; E542-A546 WeakPolarHBondContact O-CB 3.39Å; E542-A546 PolarHBondContact O-N 2.77Å
543E74.1Confident66.6Low137 Ų137101.9 Ų101.964%0.6462%0.617SS**Hα-helixtrans-67.4-37.7172.5-66.8-175.3173.200111.8V539 L547V539-E543 PolarHBondContact O-N 3.22Å; E543-L547 VanDerWaalsContact O-CB 3.3Å; E543-L547 WeakPolarHBondContact O-CB 3.24Å; E543-L547 PolarHBondContact O-N 3.46Å
544Y80.9Confident66.4Low147 Ų147102.7 Ų102.758%0.57661%0.614SS**Hα-helixtrans-70.6-39.3177.2-174.7-109.1000112.7L540 L547 L548L540-Y544 WeakPolarHBondContact O-CB 3.46Å; L540-Y544 PolarHBondContact O-N 3.2Å; Y544-L547 PolarHBondContact O-N 2.85Å; Y544-L548 HydrophobicContact CD1-CD1 3.67Å; Y544-L548 HydrophobicContact CE1-CD1 3.27Å; Y544-L548 HydrophobicContact CE1-CG 4.37Å; Y544-L548 HydrophobicContact CE2-CD1 4.45Å; Y544-L548 HydrophobicContact CG-CD1 4.4Å; Y544-L548 WeakPolarHBondContact O-CB 3.11Å; Y544-L548 PolarHBondContact O-N 2.72Å
545S79.7Confident66.3Low67 Ų67105.4 Ų105.447%0.46962%0.617SS.*Hα-helixtrans-72-34.1175.158.50000112.3D541 E542 L548 A549D541-S545 WeakPolarHBondContact O-CB 3.15Å; D541-S545 PolarHBondContact O-N 2.79Å; D541-S545 PolarHBondContact O-OG 2.96Å; E542-S545 WeakPolarHBondContact CA-OG 3.28Å; E542-S545 PolarHBondContact O-OG 3.37Å; E542-S545 VanDerWaalsContact O-OG 3.14Å; S545-L548 PolarHBondContact O-N 3.42Å; S545-A549 WeakPolarHBondContact O-CB 3.15Å; S545-A549 PolarHBondContact O-N 3.32Å
546A80.3Confident65.7Low55 Ų55104.8 Ų104.846%0.45562%0.624SS.*Hα-helixtrans-63.4-41.3169.300000111.7E542 A549 E550E542-A546 WeakPolarHBondContact O-CB 3.39Å; E542-A546 PolarHBondContact O-N 2.77Å; A546-A549 WeakPolarHBondContact O-CB 3.25Å; A546-A549 PolarHBondContact O-N 3.11Å; A546-E550 WeakPolarHBondContact O-CB 3.43Å; A546-E550 PolarHBondContact O-N 3.24Å
547L76Confident65.2Low94 Ų94111.5 Ų111.549%0.49264%0.638SS.*Hα-helixtrans-69-35.5177.5-156.7153.1000111.8E543 Y544 E550 L551E543-L547 VanDerWaalsContact O-CB 3.3Å; E543-L547 WeakPolarHBondContact O-CB 3.24Å; E543-L547 PolarHBondContact O-N 3.46Å; Y544-L547 PolarHBondContact O-N 2.85Å; L547-E550 PolarHBondContact O-N 3.25Å; L547-L551 HydrophobicContact CD2-CD1 4.14Å; L547-L551 PolarHBondContact O-N 3.11Å; L547-L551 VanDerWaalsContact O-N 3.09Å
548L79.5Confident64.4Low83 Ų83112.6 Ų112.644%0.43565%0.65SS.*Hα-helixtrans-69.3-32.1171.1-84.4160.5000112.9Y544 S545Y544-L548 HydrophobicContact CD1-CD1 3.67Å; Y544-L548 HydrophobicContact CE1-CD1 3.27Å; Y544-L548 HydrophobicContact CE1-CG 4.37Å; Y544-L548 HydrophobicContact CE2-CD1 4.45Å; Y544-L548 HydrophobicContact CG-CD1 4.4Å; Y544-L548 WeakPolarHBondContact O-CB 3.11Å; Y544-L548 PolarHBondContact O-N 2.72Å; S545-L548 PolarHBondContact O-N 3.42Å
549A78.7Confident63.6Low79 Ų79117.4 Ų117.465%0.65366%0.664SS**Hα-helixtrans-72.8-35172.700000112.2S545 A546S545-A549 WeakPolarHBondContact O-CB 3.15Å; S545-A549 PolarHBondContact O-N 3.32Å; A546-A549 WeakPolarHBondContact O-CB 3.25Å; A546-A549 PolarHBondContact O-N 3.11Å
550E76.3Confident62.3Low165 Ų165116.9 Ų116.977%0.77168%0.677SS**Hα-helixtrans-72.1-29177.7-158.4176.3-165.900112.4A546 L547 G552A546-E550 WeakPolarHBondContact O-CB 3.43Å; A546-E550 PolarHBondContact O-N 3.24Å; L547-E550 PolarHBondContact O-N 3.25Å; E550-G552 VanDerWaalsContact C-N 3.35Å; E550-G552 PolarHBondContact O-N 2.56Å
551L74.1Confident61.2Low136 Ų136114.3 Ų114.371%0.71268%0.679SS**THydrogen-bonded Turntrans-84.46.1177.4-105.175.3000115.6L547L547-L551 HydrophobicContact CD2-CD1 4.14Å; L547-L551 PolarHBondContact O-N 3.11Å; L547-L551 VanDerWaalsContact O-N 3.09Å
552G53.6Low59.5Low51 Ų51117 Ų11753%0.52669%0.693SS.*THydrogen-bonded Turntrans69.843.1165.300000115.8E550E550-G552 VanDerWaalsContact C-N 3.35Å; E550-G552 PolarHBondContact O-N 2.56Å
553H54.6Low57.5Low161 Ų161118.4 Ų118.475%0.74571%0.705SS**  trans-104.883.1167.7-130.572.8000110.8T555H553-T555 PolarHBondContact O-N 2.98Å
554D47.7Very low56.1Low148 Ų148116 Ų11679%0.79171%0.709SS**  trans-66.595.8170.137.5-73.2000111.2G556D554-G556 PolarHBondContact O-N 3.45Å
555T50.5Low54.6Low129 Ų129117.5 Ų117.579%0.79173%0.726SS**  trans-77101.1157.952.40000107.9H553 K557H553-T555 PolarHBondContact O-N 2.98Å; T555-K557 PolarHBondContact O-N 3.34Å
556G40.9Very low53Low74 Ų74123.6 Ų123.676%0.76374%0.744SS**  trans-56122.6-172.800000114.5D554D554-G556 PolarHBondContact O-N 3.45Å
557K41.8Very low51.7Low219 Ų219126.4 Ų126.495%0.95276%0.758SS**  trans-14588.8145.2-91.6-176.7179.3178.30107.7T555T555-K557 PolarHBondContact O-N 3.34Å
558G35.8Very low49.9Very low77 Ų77127.9 Ų127.979%0.79477%0.77SS**  trans-124106.2171.900000109.9
559L39Very low48.1Very low179 Ų179129.7 Ų129.794%0.93779%0.785SS**  trans-120.2103.2158.3-115.3162.8000104.6
560G34.1Very low46.3Very low81 Ų81136.2 Ų136.284%0.83579%0.792SS**  trans69134.3178.100000113.4
561G35.3Very low44.9Very low65 Ų65136 Ų13667%0.6780%0.795SS**  cis142.2122.820.400000105.3
562L36.3Very low43.4Very low167 Ų167136.2 Ų136.287%0.87480%0.796SS**  trans76.298163.5-41.2172.3000115.9
563D39.1Very low42.8Very low172 Ų172142.7 Ų142.792%0.9282%0.818SS**  trans-178.3154.5138.7-94.3-33000113.6
564A44.4Very low42.2Very low88 Ų88138.9 Ų138.973%0.72782%0.815SS**  trans80.293.9159.300000120.1
565L49.4Very low41.9Very low177 Ų177141.3 Ų141.393%0.92782%0.818SS**PPolyproline II helixtrans-65121.1152.2-70.6165.1000109.7
566K46Very low41.6Very low195 Ų195141.6 Ų141.685%0.84882%0.822SS**PPolyproline II helixtrans-79.9128.6-179.6-69.6172.2176.61780111.8
567P52.6Low41.5Very low115 Ų115149.7 Ų149.775%0.74783%0.83SS**PPolyproline II helixtrans-80132.9161.131-29.8000110.8
568V39.4Very low41.6Very low125 Ų125147.5 Ų147.576%0.75883%0.828SS**  trans-80.4112.9169.21670000108.4R570V568-R570 HydrophobicContact CG1-CG 4.37Å
569V41Very low41.7Very low121 Ų121149.2 Ų149.273%0.73383%0.828SS**  trans-112.5116.9166.2179.60000108.3
570R39.8Very low42.1Very low215 Ų215147.2 Ų147.281%0.81182%0.822SS**  trans-83.5121.3173.9-66.9178.3172.4126.2-2.9108.6V568V568-R570 HydrophobicContact CG1-CG 4.37Å
571I47.6Very low42.5Very low161 Ų161149.2 Ų149.283%0.82682%0.82SS**  trans-94.4113.7170.5-60.8176.6000108.4
572N42.4Very low42.5Very low140 Ų140152.9 Ų152.975%0.74983%0.83SS**  trans-73.5122.2170.6-69.5-62.1000109.3A574N572-A574 VanDerWaalsContact C-N 3.28Å; N572-A574 PolarHBondContact O-N 3Å
573L42.4Very low42.6Very low187 Ų187150 Ų15098%0.97983%0.83SS**  trans-79.981.2167.3-168.263.3000108.7
574A41.6Very low42.6Very low82 Ų82146.6 Ų146.668%0.67883%0.826SS**  trans-111.4129.216800000109.4N572N572-A574 VanDerWaalsContact C-N 3.28Å; N572-A574 PolarHBondContact O-N 3Å
575K40.2Very low42.5Very low198 Ų198147.1 Ų147.186%0.86183%0.83SS**  trans-14.1128.2171.5-68.1157.6176.4173.20116.6R577K575-R577 PolarHBondContact O-N 2.91Å
576P45.4Very low42.3Very low135 Ų135144.3 Ų144.388%0.87782%0.823SS**PPolyproline II helixtrans-74.1119160.630.4-29.4000109.6
577R39.2Very low41.9Very low244 Ų244143.4 Ų143.492%0.92182%0.819SS**PPolyproline II helixtrans-81.4128.3161.9-80.7-176.9163.3173.1-5108K575K575-R577 PolarHBondContact O-N 2.91Å
578L41.9Very low41.3Very low174 Ų174148.2 Ų148.291%0.91182%0.824SS**PPolyproline II helixtrans-70.5131.3168.2-84.6153.9000109.9
579S39.8Very low41.1Very low113 Ų113146.5 Ų146.579%0.7982%0.823SS**PPolyproline II helixtrans-80.4134.6177.649.90000111.8
580V45.4Very low41.2Very low136 Ų136146.1 Ų146.182%0.82482%0.823SS**  trans-109.7141166.1177.60000107.3
581P42.6Very low41.3Very low123 Ų123145.1 Ų145.180%0.79983%0.827SS**  trans-77.4155.4-169.830.9-34.5000114.4
582T35.1Very low41Very low143 Ų143141.9 Ų141.988%0.87782%0.819SS**  trans-61.9136.2-175.7-53.60000115.6
583A39.8Very low40.9Very low105 Ų105142.7 Ų142.787%0.86882%0.823SS**  trans-138.3144.4149.900000109.2
584A38.4Very low41.2Very low102 Ų102139.7 Ų139.784%0.84381%0.813SS**  trans-83.3143.1-152.900000117
585A43.1Very low41.1Very low98 Ų98142 Ų14281%0.8182%0.82SS**  trans-175.3143.6141.300000110.3
586P44.8Very low41.2Very low119 Ų119136 Ų13677%0.77381%0.814SS**  trans-107.9168.1-165.442.2-34.6000115.3
587F36.5Very low41.5Very low175 Ų175135.1 Ų135.177%0.76881%0.807SS**  trans79.697.1156-93.6-85000121.1
588Y41.6Very low41.7Very low216 Ų216132.3 Ų132.385%0.84780%0.804SS**  169.1129.5102-107.4-85.6000110.1
589A35.5Very low41.8Very low90 Ų90133.3 Ų133.374%0.74480%0.796SS**  trans-77.7156.5177.400000111.7
590P42.3Very low42.3Very low112 Ų112132.4 Ų132.473%0.72779%0.785SS**  -149.6143.493.633.6-13.8000116.9
591Q42.7Very low42.2Very low194 Ų194132.5 Ų132.591%0.90779%0.789SS**  trans62.1135.2134.5-53.7-170.145.800122.3
592S40.7Very low42.8Very low94 Ų94135.7 Ų135.766%0.65779%0.785SS**  trans-93.3152.6-158.848.30000117.8
593L40.2Very low43.3Very low157 Ų157134.8 Ų134.882%0.82277%0.773SS**  trans68.6134.4133.2-67161.9000117.9
594T48.3Very low43.7Very low124 Ų124134.6 Ų134.676%0.76177%0.771SS**  cis-157.4151.63248.60000112.3
595P39.4Very low44.6Very low129 Ų129134.5 Ų134.584%0.83876%0.762SS**  trans-98.1139.9167.235.5-26.8000112.4
596G42.4Very low44.8Very low72 Ų72136 Ų13674%0.74276%0.763SS**  trans-140.5108.5-176.600000115.2
597V51.1Low44.6Very low118 Ų118136.8 Ų136.872%0.71577%0.765SS**  trans60.6100.9144.2-160.10000119.5
598Q45Very low44.7Very low184 Ų184133.9 Ų133.986%0.8677%0.767SS**PPolyproline II helixtrans-68.9120.4158.4176.5178.7-700110.4
599W42.4Very low44.5Very low196 Ų196128 Ų12874%0.74276%0.763SS**PPolyproline II helixtrans-82.3141.1173-69.282000111
600T50Low44.7Very low93 Ų93130.7 Ų130.757%0.57177%0.77SS**PPolyproline II helixtrans-99.3144.4167.341.90000110.4W602T600-W602 PolarHBondContact O-N 3.28Å; T600-W602 VanDerWaalsContact O-N 3.1Å
601P44.9Very low44.4Very low139 Ų139128.3 Ų128.390%0.90377%0.766SS**THydrogen-bonded Turntrans-88.227.5-152.7-9.829.6000116.8
602W54.1Low44.2Very low189 Ų189127.3 Ų127.372%0.71677%0.767SS**THydrogen-bonded Turntrans-122.52.7-174.464.9-86.9000115.7T600T600-W602 PolarHBondContact O-N 3.28Å; T600-W602 VanDerWaalsContact O-N 3.1Å
603M46.2Very low44.1Very low125 Ų125126.5 Ų126.562%0.61677%0.774SS**  trans-114113.4176.1-69.5-161.3173.100111.1P605M603-P605 WeakPolarHBondContact O-CD 3.44Å
604A48.3Very low44Very low100 Ų100125.6 Ų125.683%0.82678%0.775SS**PPolyproline II helixtrans-85.4120.5161.600000108.8
605P57.1Low43.4Very low100 Ų100126.1 Ų126.165%0.64978%0.778SS**PPolyproline II helixtrans-81.6151171.330.1-31.5000112.2M603M603-P605 WeakPolarHBondContact O-CD 3.44Å
606P48.2Very low43.4Very low130 Ų130126 Ų12684%0.84478%0.775SS**PPolyproline II helixtrans-82.4153.7-169.433.1-35.9000114.9
607V39.4Very low43.2Very low135 Ų135131 Ų13182%0.81878%0.781SS**PPolyproline II helixtrans-72.9143.2171.9-72.90000113
608S38.5Very low42.8Very low115 Ų115130.7 Ų130.780%0.80478%0.781SS**  160.7119.8127.9-71.50000114.1
609A38.4Very low42.2Very low91 Ų91126.7 Ų126.775%0.75278%0.78SS**  trans48120.3130.300000121.3
610T38.2Very low42.1Very low148 Ų148127.9 Ų127.991%0.90879%0.786SS**  144.7128.1107.6-44.70000111.6
611G36.7Very low41.9Very low62 Ų62129.1 Ų129.164%0.63980%0.796SS**  trans10390.1138.900000118.6
612D37.9Very low41.5Very low173 Ų173126 Ų12693%0.92579%0.788SS**  trans24.7129.6132.5-51.2-27.9000120.7
613G38.4Very low40.8Very low77 Ų77123.4 Ų123.479%0.79479%0.793SS**  trans159.274.616500000114.2
614T38.7Very low40.4Very low138 Ų138123.1 Ų123.185%0.84780%0.798SS**  trans-54.4125.1176-33.40000112.5
615T36.4Very low39.9Very low135 Ų135124.9 Ų124.983%0.82880%0.799SS**  trans-155.3129.1148.5-66.70000109.7
616T39.4Very low39.2Very low126 Ų126125.6 Ų125.677%0.77380%0.801SS**  trans-56.8135.8-173.5-39.50000114.8
617M38.6Very low39.1Very low178 Ų178121.9 Ų121.988%0.87778%0.781SS**  trans-145.9156.5161.3-85.6-61.5-153.800108.7
618P41.1Very low39.7Very low110 Ų110122.3 Ų122.371%0.71479%0.787SS**PPolyproline II helixtrans-89.2163.9-135.834.4-36.7000116.1
619A34Very low40.3Very low100 Ų100121.9 Ų121.983%0.82678%0.776SS**PPolyproline II helixtrans-64.7138.1-17700000114.4
620Y40.6Very low40.7Very low221 Ų221120.8 Ų120.887%0.86777%0.773SS**PPolyproline II helixtrans-101139.6157-80.3-87.5000109.2
621P44.2Very low41.6Very low120 Ų120117 Ų11778%0.77975%0.753SS**PPolyproline II helixtrans-72.3136.1-173.528.8-33.8000112
622G36.4Very low41.8Very low72 Ų72119.6 Ų119.674%0.74276%0.762SS**PPolyproline II helixtrans-70.2137.7170.300000111.4
623V39.8Very low41.9Very low136 Ų136119 Ų11982%0.82476%0.758SS**  trans-91.8102.1166.4176.30000107.5
624T37.9Very low41.8Very low118 Ų118121.3 Ų121.372%0.72476%0.756SS**  trans-74.7114.9159.540.90000108.5V626T624-V626 PolarHBondContact O-N 3.42Å
625T38.9Very low42.1Very low138 Ų138121.9 Ų121.985%0.84775%0.752SS**  trans-77.599.1163.4470000108.1
626V41.3Very low42.6Very low114 Ų114120.6 Ų120.669%0.69175%0.746SS**  trans-94.9128.3169-178.70000106.8T624T624-V626 PolarHBondContact O-N 3.42Å
627A47.1Very low42.6Very low52 Ų52120.2 Ų120.243%0.4375%0.748SS.*  trans-62.3139.2170.200000109.2D629 G630A627-D629 WeakPolarHBondContact CB-OD1 3.46Å; A627-D629 PolarHBondContact O-N 2.77Å; A627-G630 PolarHBondContact O-N 3.12Å
628P52.1Low42.7Very low144 Ų144122.7 Ų122.794%0.93575%0.75SS**THydrogen-bonded Turntrans-66.53.5-172.225.8-33.8000115.3
629D50.8Low42.9Very low106 Ų106123.4 Ų123.457%0.56776%0.755SS**THydrogen-bonded Turntrans-116.13.3-175.861.1-42.5000114.4A627 S631A627-D629 WeakPolarHBondContact CB-OD1 3.46Å; A627-D629 PolarHBondContact O-N 2.77Å; D629-S631 PolarHBondContact O-N 2.77Å; D629-S631 PolarHBondContact O-OG 3.41Å; D629-S631 WeakPolarHBondContact OD2-CB 3.38Å; D629-S631 PolarHBondContact OD2-OG 3.47Å
630G47Very low43.2Very low68 Ų68122.2 Ų122.270%0.70175%0.751SS**  trans66.65.2172.600000115.4A627 S632A627-G630 PolarHBondContact O-N 3.12Å; G630-S632 PolarHBondContact O-N 2.75Å
631S57.1Low43.8Very low70 Ų70119.6 Ų119.649%0.4975%0.751SS.*  trans-78115.4179.2-47.60000110.8D629 L633D629-S631 PolarHBondContact O-N 2.77Å; D629-S631 PolarHBondContact O-OG 3.41Å; D629-S631 WeakPolarHBondContact OD2-CB 3.38Å; D629-S631 PolarHBondContact OD2-OG 3.47Å; S631-L633 PolarHBondContact O-N 3.49Å; S631-L633 VanDerWaalsContact O-N 3.15Å
632S40.5Very low44.3Very low116 Ų116118.5 Ų118.581%0.81174%0.744SS**  trans-73.4100.4169.2-67.40000109.9G630 V634G630-S632 PolarHBondContact O-N 2.75Å; S632-V634 PolarHBondContact O-N 3.37Å
633L38.5Very low44.8Very low161 Ų161118.6 Ų118.684%0.84374%0.737SS**  trans-77.4102.2166.9-81.2171.4000109.7S631 I635S631-L633 PolarHBondContact O-N 3.49Å; S631-L633 VanDerWaalsContact O-N 3.15Å; L633-I635 PolarHBondContact O-N 2.85Å
634V38.3Very low46Very low125 Ų125119.1 Ų119.176%0.75873%0.726SS**  trans-65.6108.1166.2176.70000108.2S632S632-V634 PolarHBondContact O-N 3.37Å
635I43.8Very low47.4Very low149 Ų149114.7 Ų114.776%0.76470%0.701SS**PPolyproline II helixtrans-85.7118.1165.3-57.4176.1000106.9L633 S637L633-I635 PolarHBondContact O-N 2.85Å; I635-S637 PolarHBondContact O-N 3.42Å
636P46.3Very low48.6Very low108 Ų108115.1 Ų115.170%0.70171%0.706SS**PPolyproline II helixtrans-64.6133.5178.924.3-31000110.9
637S40.5Very low50.3Low118 Ų118115.1 Ų115.183%0.82570%0.702SS**PPolyproline II helixtrans-68.4136177.1-71.70000111.5I635I635-S637 PolarHBondContact O-N 3.42Å
638Y41.4Very low51.2Low230 Ų230115.1 Ų115.190%0.90271%0.707SS**PPolyproline II helixtrans-61.6129.5166.8-92.9-96.5000110.6
639P45Very low52.1Low126 Ų126111.3 Ų111.382%0.81868%0.681SS**PPolyproline II helixtrans-84.9129172.231.9-28.9000110.1
640G40.1Very low52.6Low74 Ų74110.3 Ų110.376%0.76368%0.681SS**  trans176.516.9176.200000119.1
641I52.6Low53.1Low166 Ų166111 Ų11185%0.85167%0.671SS**  trans-120.3121.8179.3-52.4177.9000110.2
642P55.4Low53Low98 Ų98116.9 Ų116.964%0.63669%0.688SS**PPolyproline II helixtrans-72.2126.5175.727.6-30.9000110.9
643A46.6Very low53.8Low73 Ų73117.1 Ų117.160%0.60368%0.684SS**PPolyproline II helixtrans-85.5135.117100000110.5V651A643-V651 PolarHBondContact O-N 2.83Å
644Y65.6Low55Low148 Ų148113.2 Ų113.258%0.5867%0.669SS**BIsolated β-bridgetrans-102.6138.3174.8-90.8-95.5000109.6G648 T649 P650Y644-G648 VanDerWaalsContact CD1-O 3.3Å; Y644-G648 WeakPolarHBondContact CD1-O 3.19Å; Y644-G648 WeakPolarHBondContact CE1-O 3.23Å; Y644-T649 WeakPolarHBondContact CA-O 3.14Å; Y644-T649 VanDerWaalsContact CD1-C 3.41Å; Y644-P650 HydrophobicContact CD1-CB 4.43Å; Y644-P650 HydrophobicContact CE1-CB 3.97Å; Y644-P650 HydrophobicContact CE1-CG 4.12Å; Y644-P650 HydrophobicContact CE2-CB 4.19Å
645A66.7Low56Low25 Ų25113.5 Ų113.521%0.20767%0.673CS.*PPolyproline II helixtrans-65.4157.7168.400000110.4D647 G648 T649 V651A645-D647 WeakPolarHBondContact CB-OD1 3.45Å; A645-D647 PolarHBondContact O-N 2.69Å; A645-G648 PolarHBondContact O-N 3.15Å; A645-T649 PolarHBondContact N-O 3.49Å; A645-V651 HydrophobicContact CB-CG2 4.24Å
646P64.4Low55.9Low147 Ų147115.1 Ų115.196%0.95568%0.68SS**THydrogen-bonded Turntrans-58-12.4-179.122.8-33.9000114.7
647D76.7Confident56Low114 Ų114120.6 Ų120.661%0.6169%0.688SS**THydrogen-bonded Turntrans-94.73.9174.749.4-59.8000114.5A645 T649A645-D647 WeakPolarHBondContact CB-OD1 3.45Å; A645-D647 PolarHBondContact O-N 2.69Å; D647-T649 PolarHBondContact OD2-OG1 3.31Å
648G66.1Low56.1Low51 Ų51119.5 Ų119.553%0.52669%0.686SS.*SBendtrans7823.6173.600000114.5Y644 A645Y644-G648 VanDerWaalsContact CD1-O 3.3Å; Y644-G648 WeakPolarHBondContact CD1-O 3.19Å; Y644-G648 WeakPolarHBondContact CE1-O 3.23Å; A645-G648 PolarHBondContact O-N 3.15Å
649T70.4Confident56.4Low65 Ų65114.4 Ų114.440%0.39968%0.681SS.*  trans-98.7131.717153.30000111.4Y644 A645 D647 V651Y644-T649 WeakPolarHBondContact CA-O 3.14Å; Y644-T649 VanDerWaalsContact CD1-C 3.41Å; A645-T649 PolarHBondContact N-O 3.49Å; D647-T649 PolarHBondContact OD2-OG1 3.31Å; T649-V651 PolarHBondContact O-N 2.89Å
650P62.1Low56.5Low85 Ų85112.9 Ų112.955%0.55268%0.679SS**BIsolated β-bridgetrans-75.3123174.228.8-29.4000109.4Y644Y644-P650 HydrophobicContact CD1-CB 4.43Å; Y644-P650 HydrophobicContact CE1-CB 3.97Å; Y644-P650 HydrophobicContact CE1-CG 4.12Å; Y644-P650 HydrophobicContact CE2-CB 4.19Å
651V57Low57Low83 Ų83114.8 Ų114.850%0.50368%0.678SS.*  trans-105120.4178.6-173.70000109.2A643 A645 T649 V653A643-V651 PolarHBondContact O-N 2.83Å; A645-V651 HydrophobicContact CB-CG2 4.24Å; T649-V651 PolarHBondContact O-N 2.89Å; V651-V653 HydrophobicContact CG1-CG2 4.27Å
652F54.9Low56.5Low192 Ų192114 Ų11484%0.84268%0.676SS**  trans-82112.4172.3-168.1-92.7000108.8P654F652-P654 WeakPolarHBondContact O-CD 3.17Å
653V57.1Low55.9Low121 Ų121117.4 Ų117.473%0.73369%0.688SS**  trans-102.1107.6177.5-172.70000108.9V651V651-V653 HydrophobicContact CG1-CG2 4.27Å
654P64.2Low55.6Low80 Ų80117.5 Ų117.552%0.51969%0.69SS.*PPolyproline II helixtrans-71.1147167.928.4-31.5000110.5F652 M656F652-P654 WeakPolarHBondContact O-CD 3.17Å; P654-M656 PolarHBondContact O-N 3.41Å
655P60.2Low54.5Low131 Ų131117.2 Ų117.285%0.85170%0.703SS**PPolyproline II helixtrans-66.9120.9175.926.9-31.6000110.3
656M40.7Very low53.2Low182 Ų182120 Ų12090%0.89773%0.727SS**PPolyproline II helixtrans-72.3128.1175.1-76.5-76.4-163.100110.9P654P654-M656 PolarHBondContact O-N 3.41Å
657Y48.8Very low52.1Low224 Ų224122.1 Ų122.188%0.87872%0.724SS**PPolyproline II helixtrans-85.3128.5157-115.5-97000108
658A42.9Very low50.3Low94 Ų94120.9 Ų120.978%0.77773%0.73SS**PPolyproline II helixtrans-86.1130.2173.500000110.6
659P46.7Very low49Very low123 Ų123125 Ų12580%0.79975%0.745SS**  trans-111157.6171.538.1-28.4000112.6
660A48.4Very low47.6Very low95 Ų95127.1 Ų127.179%0.78577%0.768SS**  trans156161.1147.900000112
661P49.3Very low46.5Very low114 Ų114126.8 Ų126.874%0.7478%0.781SS**  cis-139.5152.8-29.333.6-14.1000115.9
662D42.5Very low45.7Very low150 Ų150130.9 Ų130.980%0.80280%0.798SS**  trans5.6134.9141.6-39.9-37.2000123.6
663D42.3Very low45Very low168 Ų168127 Ų12790%0.89879%0.792SS**  trans175.9145137.5-96.8-29.1000108
664A40.5Very low44.3Very low76 Ų76129.7 Ų129.763%0.62880%0.801SS**  cis-167.1142.1-31.200000106.1
665T42.8Very low43.2Very low141 Ų141131 Ų13187%0.86581%0.81SS**  trans82.1126.6149.3-20.70000122.4
666A39.7Very low42.4Very low85 Ų85135.3 Ų135.370%0.70281%0.811SS**  trans108.989.9142.500000119.8
667Q40Very low42.5Very low190 Ų190130.3 Ų130.389%0.88880%0.799SS**  68.8103.1125.5-66.2178.93.700121.3
668A39.3Very low42.4Very low89 Ų89125.4 Ų125.474%0.73679%0.794SS**  81.5133.6118.900000121.6
669T39.5Very low43.2Very low137 Ų137126.6 Ų126.684%0.8479%0.794SS**  trans85.793.4153.835.80000120.9
670A40.7Very low43.3Very low109 Ų109127.2 Ų127.290%0.90180%0.798SS**  trans58.9118.9130.100000121.5
671G38.8Very low43.1Very low79 Ų79126 Ų12681%0.81480%0.795SS**  trans130.7104.3152.400000115.8
672I40.8Very low42.8Very low169 Ų169130.1 Ų130.187%0.86780%0.804SS**  trans-47.5152.3159.9-59.5164.2000109.8
673P40.4Very low42.8Very low111 Ų111127.8 Ų127.872%0.72181%0.806SS**  cis-134.4174.222.420.66000115.3
674L41.9Very low42.8Very low176 Ų176128.8 Ų128.892%0.92180%0.802SS**  trans-125.5131164.3-87174.8000113.8
675P42Very low43.1Very low108 Ų108131 Ų13170%0.70181%0.807SS**  trans-100.6159.9168.238.1-29.8000113.5
676Y41.6Very low43.4Very low222 Ų222128.9 Ų128.987%0.87180%0.796SS**  trans31.7119.9142.3-135-99.1000123.2
677A44.9Very low43.5Very low77 Ų77131.1 Ų131.164%0.63680%0.796SS**  trans46.5173.1142.200000119.9
678P45.6Very low43.5Very low121 Ų121130.2 Ų130.279%0.78679%0.792SS**  cis-140.6-168.311.140.7-16.5000115
679P60.1Low43.5Very low118 Ų118130.6 Ų130.677%0.76679%0.79SS**  trans-108.1177.7-169.541.2-31000115.1
680P48.4Very low43.4Very low136 Ų136128.5 Ų128.588%0.88378%0.78SS**  trans-155.1165.3140.736.5-17000119
681G45.3Very low43.2Very low70 Ų70132.2 Ų132.272%0.72278%0.777SS**  trans112.699.4145.500000117.4
682E41.9Very low43.2Very low201 Ų201134 Ų13494%0.93977%0.771SS**  78.6118.568.9-82.6-167.4147.100118.3
683A42.5Very low42.8Very low101 Ų101130.1 Ų130.184%0.83577%0.765SS**  trans164.6140.4141.300000109.5
684K42.8Very low42.4Very low189 Ų189129.4 Ų129.482%0.82277%0.768SS**  cis-170.2129.3-7-121.4-170.3173174.10105.9
685V47.5Very low41.9Very low121 Ų121125.7 Ų125.773%0.73376%0.762SS**  83.7144.3113.1159.70000117.3
686P47.4Very low41.5Very low98 Ų98124.8 Ų124.864%0.63676%0.764SS**  cis-148.3173.1-20.640-20.3000118.5
687D41.9Very low41.3Very low132 Ų132119.4 Ų119.471%0.70676%0.759SS**  trans59.1141.5138.6-83.30.1000121.8
688Q41.1Very low40.9Very low170 Ų170121.6 Ų121.679%0.79477%0.77SS**  cis-158.6161.123.4-127.5158.871.900111.3
689S38.5Very low40.5Very low98 Ų98120.9 Ų120.969%0.68577%0.774SS**  trans-84.8160.3-160.449.20000118
690S38.6Very low39.5Very low92 Ų92122 Ų12264%0.64377%0.769SS**  trans63.8124135.263.70000120.9
691F35.8Very low39.2Very low188 Ų188121.9 Ų121.983%0.82577%0.768SS**  175.1120110.8-111.8-113.3000109.2
692V38.9Very low39Very low116 Ų116126.1 Ų126.170%0.70377%0.769SS**  80.1111.8103.4-178.20000116.1
693A32.8Very low39.1Very low88 Ų88124.1 Ų124.173%0.72776%0.762SS**  trans51.1133.5136.300000123.2
694A31.2Very low40.1Very low96 Ų96125.3 Ų125.379%0.79376%0.761SS**  trans85.3126.4131.700000120.3
695A31.1Very low40.6Very low97 Ų97121.8 Ų121.880%0.80276%0.758SS**  trans86115.9137.700000119.6
696A33.3Very low40.3Very low90 Ų90120.9 Ų120.974%0.74476%0.763SS**  88.2134.4129.600000120.4
697S38.7Very low40Very low108 Ų108120.6 Ų120.676%0.75577%0.769SS**  trans75.8103.3151.251.80000120.2
698S35.4Very low40Very low124 Ų124118.7 Ų118.787%0.86777%0.771SS**  37.2118.4119.9-48.80000120.1
699A38.5Very low40Very low106 Ų106117.2 Ų117.288%0.87677%0.774SS**  175145.112500000111.8
700E37.6Very low39.9Very low141 Ų141116.5 Ų116.566%0.65978%0.782SS**  trans-53.5173.8-175.1-77.3172.67500118.5Q702E700-Q702 WeakPolarHBondContact OE1-CG 3.22Å; E700-Q702 PolarHBondContact OE1-NE2 3.05Å
701P43.6Very low39.9Very low134 Ų134116.4 Ų116.487%0.8779%0.787SS**  -134.2134.3105.735.1-23.2000115.9
702Q39.3Very low40Very low158 Ų158116 Ų11674%0.73879%0.79SS**PPolyproline II helixtrans-82.7166.1170.2-113.3171.354.300113.1E700E700-Q702 WeakPolarHBondContact OE1-CG 3.22Å; E700-Q702 PolarHBondContact OE1-NE2 3.05Å
703M45.1Very low40Very low160 Ų160117.2 Ų117.279%0.78880%0.797SS**PPolyproline II helixtrans-52.9166.8175.4-57-151.8-53.800116.3
704P64.1Low40.2Very low125 Ų125118.9 Ų118.981%0.81280%0.798SS**PPolyproline II helixtrans-93.3135.6158.834.2-29.3000113.4
705P52.2Low40.9Very low116 Ų116118.9 Ų118.975%0.75379%0.79SS**  trans-128.9174.2158.138.4-24.9000114.9
706A41.6Very low41.1Very low102 Ų102121.8 Ų121.884%0.84379%0.787SS**  trans91.6140.1167.400000116.8
707A40.7Very low41.2Very low92 Ų92124.4 Ų124.476%0.7679%0.789SS**  cis-162.3149.225.700000114.9
708A41.3Very low41.1Very low92 Ų92122.8 Ų122.876%0.7678%0.782SS**  trans60.5134.6135.200000120.4
709T41.8Very low41.3Very low139 Ų139125 Ų12585%0.85378%0.779SS**  cis-165.9137.932.7330000108.7
710G35.9Very low41.2Very low83 Ų83127.2 Ų127.286%0.85678%0.775SS**  74.8133.3110.900000115.3
711A39.3Very low41.3Very low89 Ų89125.4 Ų125.474%0.73679%0.785SS**  cis-163.7132.1900000107.1
712M37.7Very low41Very low181 Ų181127 Ų12789%0.89278%0.781SS**  77.4137.9105.8-62.9-171.4177.300118.5
713V39.2Very low41Very low140 Ų140127.5 Ų127.585%0.84878%0.783SS**  trans103.589.5151.5-162.40000118.2
714T36.3Very low40.6Very low123 Ų123123.8 Ų123.876%0.75577%0.773SS**  trans-74.3177.414050.90000110
715P45.4Very low39.5Very low97 Ų97128.9 Ų128.963%0.6378%0.778SS**  cis-150.5-169.115.940.3-16.3000116.7
716Q36.4Very low38.9Very low157 Ų157133 Ų13373%0.73478%0.784SS**  trans83130.1138.9-86.1166.1900123.5
717N34Very low39.2Very low146 Ų146133.5 Ų133.578%0.78178%0.778SS**  trans68.2151141.8-61.3-15.2000117.1
718A37.9Very low39.2Very low73 Ų73135.8 Ų135.860%0.60378%0.783SS**  cis-172.7146.6-2.100000105.8
719E39.6Very low39Very low172 Ų172138.6 Ų138.680%0.80479%0.785SS**  trans60.1132.6133.5-58.8174.8153.100122.4
720D35.7Very low39Very low151 Ų151138.2 Ų138.281%0.80778%0.782SS**  trans55.8115140.1-63.5-42.3000120.9
721A41.1Very low39.1Very low104 Ų104141.4 Ų141.486%0.8678%0.775SS**  -175.3129.9113.200000112.2
722Q36.6Very low39Very low167 Ų167144.6 Ų144.678%0.7878%0.775SS**  trans-66164.4171.6-62158.2-18.100112.6
723Q39.7Very low39.2Very low168 Ų168144.8 Ų144.879%0.78577%0.773SS**  trans13097.5144-74.31568.200112.2
724S35.4Very low39.2Very low83 Ų83148.9 Ų148.958%0.5878%0.775SS**  70.5111.39178.30000113.4
725Y41.6Very low39.1Very low232 Ų232147 Ų14791%0.9178%0.78SS**  174.2156.5101.9-96.8-79.5000110.2
726K39.9Very low38.7Very low203 Ų203146.2 Ų146.288%0.88379%0.789SS**  trans-91.5174.7-165-98-175-178.4-179.50113.2
727P46.9Very low38.8Very low111 Ų111145.1 Ų145.172%0.72179%0.794SS**  trans-98.7166.8-156.339.7-34.2000113.9
728T41.9Very low39.2Very low141 Ų141145.1 Ų145.187%0.86580%0.798SS**  trans-155.2146.4158.437.70000112.8
729D37Very low39.2Very low150 Ų150146.1 Ų146.180%0.80281%0.807SS**  trans-58.1168.7-178.4-53.1-82.1000116.7
730V41.6Very low39.1Very low132 Ų132143.1 Ų143.180%0.881%0.811SS**  trans145.2102.8131174.50000111.9
731E37.3Very low39.3Very low150 Ų150139.5 Ų139.570%0.70181%0.81SS**  52.4119.8123.6-145.7152.3126.400122.5
732Q38Very low39.2Very low156 Ų156142 Ų14273%0.72981%0.809SS**  trans50.3118.6140.4-66.7162.527.100119.8
733Q41.5Very low39.5Very low184 Ų184141.7 Ų141.786%0.8681%0.811SS**  -175.7127.4113.1-100.41691.500113.3
734Y39.5Very low39.7Very low227 Ų227140 Ų14089%0.8981%0.812SS**  trans30.8112.7140.3-85.8-96.7000121.2
735G33.7Very low40.1Very low84 Ų84145.5 Ų145.587%0.86683%0.828SS**  71.7104.4110.700000118.9
736G38Very low40.2Very low79 Ų79138 Ų13881%0.81482%0.821SS**  trans-162.695.116500000111.8
737T37.9Very low40.1Very low135 Ų135132.2 Ų132.283%0.82882%0.82SS**  trans-70.3127.2174.146.50000112
738V42.7Very low40.2Very low145 Ų145134 Ų13488%0.87983%0.828SS**  trans-161.3129.7141.1-127.60000113.5
739A38.6Very low40.3Very low95 Ų95132.4 Ų132.479%0.78583%0.829SS**  trans64.4123139.400000121.7
740A37.2Very low40.7Very low108 Ų108129.9 Ų129.989%0.89383%0.829SS**  trans-61.3144.217100000114
741G39.5Very low41.5Very low75 Ų75128 Ų12877%0.77383%0.827SS**  trans-161.7105164.700000109.1
742N38.9Very low42.9Very low156 Ų156126.6 Ų126.683%0.83483%0.831SS**  trans-52.7146.5173.8-67.3-30.4000111.5
743I42.2Very low44.5Very low161 Ų161124.7 Ų124.783%0.82683%0.832SS**  trans178.1114133.6-88.2150000110.2
744V44.6Very low46.2Very low134 Ų134121.5 Ų121.581%0.81283%0.828SS**  trans59.299.6142.1-171.10000119.3
745E44.5Very low47.9Very low198 Ų198116.5 Ų116.593%0.92582%0.823SS**  trans-89.2119.9158-73.9-173.2145.500110.9
746G42.7Very low49.8Very low74 Ų74118.1 Ų118.176%0.76382%0.818SS**  trans-88.6136.3144.500000107.2
747G38.7Very low51.5Low82 Ų82119.9 Ų119.985%0.84582%0.815SS**  cis108.270.448.300000108.2
748V47.8Very low53.2Low149 Ų149119.1 Ų119.190%0.90381%0.812SS**  trans-114.5129.6170.8-99.60000110.1
749A45.3Very low54.1Low106 Ų106118.2 Ų118.288%0.87681%0.809SS**PPolyproline II helixtrans-61.9132.6-159.100000115.3
750A45.3Very low54.8Low97 Ų97118.5 Ų118.580%0.80281%0.812SS**PPolyproline II helixtrans-80.713516400000110.3
751A58.6Low55.8Low92 Ų92119.4 Ų119.476%0.7681%0.806SS**PPolyproline II helixtrans-64.4143.117400000111.5
752P66Low56.4Low121 Ų121121.7 Ų121.779%0.78681%0.808SS**PPolyproline II helixtrans-72.3145.2-175.728.8-34.4000112.6
753P72.3Confident57Low117 Ų117125.3 Ų125.376%0.7681%0.811SS**PPolyproline II helixtrans-71.9154.8174.830.4-34.4000112.2
754P75.7Confident57.1Low117 Ų117122.2 Ų122.276%0.7681%0.81SS**PPolyproline II helixtrans-66.6152.6179.528.5-35.2000112.6
755P75.4Confident57Low122 Ų122120.6 Ų120.679%0.79281%0.81SS**PPolyproline II helixtrans-69.8148.7-175.728.5-34.9000113.1
756P73.6Confident57.5Low117 Ų117120 Ų12076%0.7681%0.809SS**PPolyproline II helixtrans-73154.1177.430.6-34.6000112.5
757P74.5Confident58Low117 Ų117122.3 Ų122.376%0.7681%0.812SS**PPolyproline II helixtrans-66.9153176.128.8-34.7000112.3
758P73.3Confident58.3Low118 Ų118124.2 Ų124.277%0.76681%0.809SS**PPolyproline II helixtrans-67.7150.9-17627.5-34.9000113.3
759P61Low58.1Low126 Ų126125.5 Ų125.582%0.81881%0.805SS**PPolyproline II helixtrans-74.7138.7-17529.7-34.4000113
760A54.5Low57.8Low102 Ų102128.3 Ų128.384%0.84380%0.798SS**PPolyproline II helixtrans-74.4126.7173.700000111.3
761V58.4Low57.7Low126 Ų126130.3 Ų130.376%0.76479%0.793SS**PPolyproline II helixtrans-69136.9173.2-94.40000111.7
762P50.5Low56.7Low124 Ų124128.7 Ų128.781%0.80579%0.786SS**PPolyproline II helixtrans-89.8124176.333.7-28.3000110.7
763Y51Low55.7Low231 Ų231130.4 Ų130.491%0.90679%0.785SS**PPolyproline II helixtrans-85.1127.4167.4-101.1-90.6000110.4
764A46.3Very low54.1Low97 Ų97132.3 Ų132.380%0.80278%0.784SS**PPolyproline II helixtrans-71.1144-177.500000113
765A40.7Very low52.9Low99 Ų99131.8 Ų131.882%0.81878%0.78SS**PPolyproline II helixtrans-74.6144.9177.500000113
766M55.6Low51.3Low185 Ų185135.9 Ų135.991%0.91178%0.782SS**  trans-121.5139.8157.2-68.9-165.8168.600109.6
767P54.1Low49.5Very low124 Ų124139.2 Ų139.281%0.80578%0.784SS**  trans-91.8160-170.235.9-35.2000114.6
768P44.1Very low48Very low121 Ų121139 Ų13979%0.78679%0.786SS**  trans-101.8151.8-172.338.4-31.3000114.3
769Q44.2Very low46.4Very low177 Ų177136.2 Ų136.283%0.82778%0.778SS**  trans-143.5111.1165.5-68.6-83.3-2400107.8
770F38.3Very low45.8Very low165 Ų165141.6 Ų141.672%0.72478%0.784SS**  85.593.6100.9-132.2-92.8000112.8
771I43.4Very low45.2Very low138 Ų138140.2 Ų140.271%0.70878%0.78SS**  74.9129.494.4-69159.2000114.5
772G37.3Very low44.7Very low59 Ų59140.6 Ų140.661%0.60878%0.782SS**  trans150.985.2158.700000112.6
773M45.7Very low45Very low157 Ų157140.5 Ų140.577%0.77378%0.781SS**  82.7102.696.5-80.4163.26100114.5
774H38.5Very low45.3Very low156 Ų156135.7 Ų135.772%0.72278%0.776SS**  175.8132.197.9-108.6-79.3000112.8
775P49.8Very low46.1Very low106 Ų106136.9 Ų136.969%0.68878%0.776SS**  trans-109.5161.4174.139.3-30.1000112.7
776Y41.7Very low47.3Very low209 Ų209138.5 Ų138.582%0.8278%0.775SS**  trans169.7135.6155-92.3-66.6000104.3
777F37.5Very low48.1Very low187 Ų187134.8 Ų134.882%0.8277%0.765SS**  cis-163.9147.534-146.9-92.7000108.9
778S42.5Very low49Very low113 Ų113134.3 Ų134.379%0.7976%0.762SS**  trans-65.9158.6-180-56.80000115.4
779G39.3Very low50.5Low59 Ų59134 Ų13461%0.60876%0.759SS**  trans160.9102.9149.600000116.3
780Y49.1Very low51.9Low239 Ų239131 Ų13194%0.93776%0.756SS**  trans24.4120.8144.8-50.9-85.4000117.7
781G41.4Very low53.7Low73 Ų73128.6 Ų128.675%0.75376%0.756SS**  cis120.8101.842.500000108.6
782V47.6Very low55.1Low133 Ų133127.4 Ų127.481%0.80676%0.758SS**  trans-150.2125.5160.4-172.60000108T784V782-T784 PolarHBondContact O-N 3.16Å
783P57.2Low56.8Low122 Ų122130 Ų13079%0.79276%0.764SS**PPolyproline II helixtrans-74.9125.7176.429.8-31000110.2
784T56Low58.2Low130 Ų130128.1 Ų128.180%0.79876%0.763SS**PPolyproline II helixtrans-75.5135.617139.80000110.3V782V782-T784 PolarHBondContact O-N 3.16Å
785P63.6Low59.5Low123 Ų123126 Ų12680%0.79976%0.764SS**PPolyproline II helixtrans-72.4133.9-178.728-32.4000111.3
786V67.3Low60.1Low132 Ų132126.6 Ų126.680%0.877%0.767SS**PPolyproline II helixtrans-63.5129.9172.4-177.50000109.1
787P72.3Confident60.5Low107 Ų107120.3 Ų120.370%0.69576%0.759SS**PPolyproline II helixtrans-64.9142.417726.2-33.3000110.9
788P72.5Confident60.9Low115 Ų115119.6 Ų119.675%0.74776%0.758SS**PPolyproline II helixtrans-64149177.527.1-33.9000111.2
789P75.1Confident61Low113 Ų113120.8 Ų120.873%0.73476%0.755SS**PPolyproline II helixtrans-60.1148.4175.426.3-34.2000110.9
790P74Confident61.4Low115 Ų115125.1 Ų125.175%0.74776%0.76SS**PPolyproline II helixtrans-58.4143.6177.525.3-33.7000110.5
791P75Confident61.5Low114 Ų114121.8 Ų121.874%0.7475%0.753SS**PPolyproline II helixtrans-59.3143.8176.225.7-33.4000110
792P74.6Confident61.8Low114 Ų114126.8 Ų126.874%0.7476%0.756SS**PPolyproline II helixtrans-59146.917625.7-33.6000110.1
793P73.2Confident61.8Low113 Ų113128.2 Ų128.273%0.73476%0.756SS**PPolyproline II helixtrans-55.8145.517425-33.5000109.7
794P74.6Confident62.1Low117 Ų117129.6 Ų129.676%0.7676%0.756SS**PPolyproline II helixtrans-54.7143175.724.3-33000109.4
795P65.7Low63Low113 Ų113128.4 Ų128.473%0.73475%0.751SS**PPolyproline II helixtrans-54.6143.3177.824.4-33.4000109.3A797P795-A797 PolarHBondContact O-N 3.08Å; P795-A797 VanDerWaalsContact O-N 3.08Å
796P61.6Low63.4Low117 Ų117128.1 Ų128.176%0.7675%0.749SS**PPolyproline II helixtrans-53.9124.8175.923.6-32.2000107.6Q798P796-Q798 PolarHBondContact O-N 2.86Å
797A51.5Low63.8Low77 Ų77127.3 Ų127.364%0.63675%0.747SS**  trans-48.5106177.400000107.9P795 N799P795-A797 PolarHBondContact O-N 3.08Å; P795-A797 VanDerWaalsContact O-N 3.08Å; A797-N799 PolarHBondContact O-N 2.8Å
798Q45.4Very low64.1Low173 Ų173127.6 Ų127.681%0.80875%0.748SS**SBendtrans-62.6110.7164.9-65.9-172.8-39.400104P796 E800P796-Q798 PolarHBondContact O-N 2.86Å; Q798-E800 PolarHBondContact O-N 3.47Å
799N44.8Very low64.5Low137 Ų137127.8 Ų127.873%0.73375%0.749SS**  trans44.165161.255-55.1000115.5A797 E801A797-N799 PolarHBondContact O-N 2.8Å; N799-E801 PolarHBondContact O-N 2.78Å
800E46.9Very low64.7Low150 Ų150127.9 Ų127.970%0.70175%0.75SS**  trans-83.154.8148.1-88.1-170.4109.200109.6Q798Q798-E800 PolarHBondContact O-N 3.47Å
801E51.7Low65Low170 Ų170127.8 Ų127.879%0.79475%0.75SS**  trans-88.8119.7147.1-95.7174.482.700105.3N799N799-E801 PolarHBondContact O-N 2.78Å
802Q48Very low65.3Low177 Ų177127.9 Ų127.983%0.82775%0.75SS**  trans8563.6176.9-48.7173.923.900116.9
803M47.1Very low65.4Low163 Ų163127.9 Ų127.980%0.80375%0.75SS**  trans-118.966.2149.9-140.990.7158.500108.5
804L64.1Low65.7Low151 Ų151128 Ų12879%0.79175%0.751SS**PPolyproline II helixtrans-60.2140.1165.3-76.2165.5000108
805P73.6Confident65.9Low105 Ų105127.9 Ų127.968%0.68275%0.75SS**PPolyproline II helixtrans-54.3142.8170.925.2-33.3000108.7
806P73.6Confident66.3Low118 Ų118128 Ų12877%0.76675%0.751SS**PPolyproline II helixtrans-55135.4178.524.4-33.3000108.6
807P74.5Confident66.7Low115 Ų115127.9 Ų127.975%0.74775%0.75SS**PPolyproline II helixtrans-57.4143.3177.624.8-33.2000109.2
808P79.2Confident67.4Low113 Ų113130.3 Ų130.373%0.73476%0.759SS**PPolyproline II helixtrans-56.1144.6174.225.4-33.6000109.5
809P80.9Confident67.8Low118 Ų118128 Ų12877%0.76676%0.762SS**PPolyproline II helixtrans-57.5143.2177.925-33.5000109.9
810P78.6Confident68Low115 Ų115125.2 Ų125.275%0.74777%0.766SS**PPolyproline II helixtrans-58.8144.7177.725.4-33.5000110.2
811P80.5Confident67.8Low114 Ų114121.6 Ų121.674%0.7477%0.769SS**PPolyproline II helixtrans-59145.4174.326-33.5000110
812P80.8Confident67.4Low115 Ų115117.5 Ų117.575%0.74776%0.764SS**PPolyproline II helixtrans-59.8146176.426.1-33.7000110.4
813P78.1Confident67.2Low115 Ų115115.6 Ų115.675%0.74776%0.76SS**PPolyproline II helixtrans-59.6144.5176.625.6-33.4000110.4
814P78Confident67.4Low116 Ų116117.7 Ų117.775%0.75376%0.76SS**PPolyproline II helixtrans-60.6146.3175.926.4-33.7000110.5
815P78.3Confident66.3Low114 Ų114120.4 Ų120.474%0.7477%0.766SS**PPolyproline II helixtrans-60.6147.8174.626.6-33.7000110.5
816P74.2Confident64.8Low114 Ų114119.9 Ų119.974%0.7477%0.77SS**PPolyproline II helixtrans-59141175.825.8-33.4000109.9
817P70.4Confident63.8Low116 Ų116123 Ų12375%0.75378%0.775SS**PPolyproline II helixtrans-61.2137.9178.225.7-33.1000109.7S819P817-S819 PolarHBondContact O-N 3.31Å
818P67Low62.5Low127 Ų127126.3 Ų126.383%0.82579%0.785SS**PPolyproline II helixtrans-61.2124.9171.425.2-31.4000109.2G820P818-G820 PolarHBondContact O-N 3.43Å
819S54.5Low60.8Low125 Ų125129.3 Ų129.387%0.87479%0.794SS**PPolyproline II helixtrans-59.1122.416847.50000110.5P817P817-S819 PolarHBondContact O-N 3.31Å
820G48.3Very low59.3Low78 Ų78129.5 Ų129.580%0.80480%0.798SS**  trans130.5130.8157.500000115.5P818P818-G820 PolarHBondContact O-N 3.43Å
821G41.4Very low57.8Low75 Ų75128.8 Ų128.877%0.77380%0.802SS**  trans93.279.4162.800000112.8
822A44.6Very low56.9Low83 Ų83127.9 Ų127.969%0.68680%0.804SS**  67.7109.478.100000112.2
823D44.3Very low56.4Low137 Ų137128.2 Ų128.273%0.73381%0.807SS**  trans83.2145.5142.5-47.2-31.9000119.5
824Y49.8Very low56.2Low208 Ų208128.5 Ų128.582%0.81681%0.808SS**  trans85.379.7172.3-53.7-80000117.3
825F41.4Very low56.1Low208 Ų208128.8 Ų128.891%0.91281%0.81SS**  165.482.1110.3-99.7-86.5000109.7
826A43.4Very low56Low94 Ų94129 Ų12978%0.77781%0.812SS**  trans-108.1107.1159.700000106.8
827E51Low56.1Low183 Ų183129.2 Ų129.286%0.85581%0.813SS**  trans-172.199.2157.2-116.1169.8148.800109.4
828L46.8Very low56.4Low184 Ų184129.3 Ų129.396%0.96381%0.813SS**  trans161.259146.9-84.7162.1000108.7
829L45.3Very low56.6Low176 Ų176129.4 Ų129.492%0.92181%0.814SS**  trans-100.7152158.1-100.5138.1000107.5
830S48.7Very low57.1Low122 Ų122128.2 Ų128.285%0.85381%0.812SS**  trans103.393.9155.5-152.60000116.6
831A47.9Very low57.4Low100 Ų100129.4 Ų129.483%0.82681%0.814SS**  -177.785129.300000110.6
832A61.1Low58.2Low96 Ų96136.1 Ų136.179%0.79384%0.84SS**  trans-142113.6158.500000108.7
833P69.6Low58.9Low122 Ų122138.8 Ų138.879%0.79285%0.847SS**PPolyproline II helixtrans-78.6146.6177.931-32.8000111.5
834P73.3Confident59.7Low121 Ų121138.8 Ų138.879%0.78685%0.853SS**PPolyproline II helixtrans-81.7145.2174.632.4-33.2000112.1
835P76.1Confident60.2Low122 Ų122135 Ų13579%0.79286%0.855SS**PPolyproline II helixtrans-76.4150.7170.929.9-33000113
836P76.5Confident61.3Low119 Ų119130.7 Ų130.777%0.77385%0.852SS**PPolyproline II helixtrans-78.8160.6-169.631.4-36.7000115.4
837P77.9Confident62.4Low117 Ų117133 Ų13376%0.7686%0.857SS**PPolyproline II helixtrans-75.4156.7-17931.3-35.5000113.9
838P75.5Confident63.2Low118 Ų118129.7 Ų129.777%0.76686%0.857SS**PPolyproline II helixtrans-71.1149-177.829.4-34.9000113
839P71.7Confident64.4Low130 Ų130125.8 Ų125.884%0.84485%0.849SS**PPolyproline II helixtrans-70.7137.3-174.728-33.7000112.8
840A64.2Low65.8Low100 Ų100121.9 Ų121.983%0.82684%0.844SS**PPolyproline II helixtrans-69137.4173.400000111.2
841A55.8Low67.3Low103 Ų103121.9 Ų121.985%0.85184%0.843SS**PPolyproline II helixtrans-71.9132.8172.400000111.1
842V57.5Low69Low215 Ų215123.9 Ų123.9100%1.30384%0.844SS**  trans-113.30150.51780000106.9

Retrieved 842 of 842 residues in 497.4 ms (Link to these results)