A0A087XEB3_POEFO Loading...

BCL2 interacting protein 2

AlphaFold DB , UniProt , Accession A0A087XEB3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 460 aa.

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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
1M39.4Very low39.3Very low247 Ų247133.4 Ų133.4100%1.21774%0.739SS**  0135.70-71.6176.7169.600107
2A38Very low38.9Very low93 Ų93138.4 Ų138.477%0.76975%0.747SS**  trans14.3119.417200000119.1
3S42.4Very low38.1Very low106 Ų106134.2 Ų134.274%0.74176%0.756SS**  69.8134.870.7-75.20000113
4D41.7Very low37.9Very low125 Ų125131.9 Ų131.967%0.66876%0.762SS**  cis-160.4147-2-104.2-62.9000105.9
5V44.1Very low37.7Very low116 Ų116131.4 Ų131.470%0.70377%0.769SS**  58.2128.379.3172.60000112.2
6K41.2Very low37.4Very low162 Ų162132.3 Ų132.370%0.70477%0.77SS**  cis-164.5170.13.6-123.4177-175.3-116.50112.1
7E37.8Very low37.3Very low144 Ų144132.3 Ų132.367%0.67377%0.772SS**  trans10.1158.6139.3-76.4167.8137.700121.4
8S38.4Very low37Very low91 Ų91131 Ų13164%0.63677%0.772SS**  cis158.9169.9-1361.20000108.1
9E39.8Very low37Very low155 Ų155132.7 Ų132.772%0.72478%0.776SS**  trans72.4165.8168.2-76.3-78.554.200116.8
10V33.5Very low36.7Very low114 Ų114133.5 Ų133.569%0.69178%0.777SS**  cis-145.6137.610.585.30000115.9
11L36.1Very low36.7Very low114 Ų114133.8 Ų133.860%0.59778%0.776SS**  trans25145147.1-64170.1000126.8
12K34.1Very low36.5Very low194 Ų194127.8 Ų127.884%0.84376%0.758SS**  trans75136.5132.6-80.3168.7-179.2174.40122.7
13G28.3Very low36.4Very low83 Ų83130.6 Ų130.686%0.85676%0.76SS**  trans165.4119.9151.800000113.5
14A35.9Very low36.2Very low103 Ų103131.5 Ų131.585%0.85177%0.766SS**  trans-125.1142.9174.800000110.7
15S35.1Very low35.8Very low124 Ų124133 Ų13387%0.86777%0.774SS**  trans-176.7166.2153.252.80000112.6
16N32.9Very low35.4Very low146 Ų146133.8 Ų133.878%0.78178%0.783SS**  trans-98.1161-164-67-33.4000115.2
17T35.3Very low35Very low132 Ų132132.2 Ų132.281%0.8179%0.787SS**  trans56.6120.7144.648.50000121.1
18S32.6Very low35Very low109 Ų109131.2 Ų131.276%0.76279%0.791SS**  177.7144108.144.70000115
19L36.1Very low35.4Very low163 Ų163132.7 Ų132.785%0.85380%0.799SS**  trans45.1117.2142.2-59.7168.7000121.5
20N31.5Very low35.1Very low149 Ų149130.2 Ų130.280%0.79780%0.799SS**  147.3156.591.8-146.47.1000113.9
21N35.9Very low35Very low140 Ų140135.9 Ų135.975%0.74981%0.807SS**  trans-74.8161.3-180-58-30.6000113.5
22S36.5Very low34.9Very low120 Ų120136.4 Ų136.484%0.83982%0.816SS**  -173137.2125.3-78.40000112.4
23D36.2Very low34.8Very low152 Ų152134.6 Ų134.681%0.81382%0.815SS**  trans-73.6177.1172.8-67.3-71.8000113.1
24S36.5Very low34.8Very low125 Ų125134.2 Ų134.287%0.87481%0.811SS**  trans-149.281.7168.7-67.10000111.8
25D34.2Very low34.6Very low157 Ų157136.4 Ų136.484%0.8481%0.809SS**  trans-79151.3161.5-87.4-41.3000111.1
26C35.7Very low34.4Very low132 Ų132138 Ų13889%0.89281%0.807SS**  trans-112133.6174.1-176.10000110.9
27V31.9Very low34.2Very low129 Ų129135.1 Ų135.178%0.78281%0.811SS**  trans-117.8146.9-166.2175.90000112.3
28T37.5Very low33.9Very low124 Ų124136 Ų13676%0.76181%0.811SS**  trans-67.7167.9175.1-22.40000113.6
29P48.6Very low33.8Very low122 Ų122141.7 Ų141.779%0.79282%0.815SS**  -140.8-172.7127.531.7-13.9000115.2
30S32.3Very low33.6Very low103 Ų103141.8 Ų141.872%0.7281%0.812SS**  trans-143.2160.7-139.459.50000117.6
31R32.3Very low33.6Very low232 Ų232139.7 Ų139.788%0.87581%0.805SS**  trans69.1151.2158.7-77.2177.4142.8166.9-8.2116.4
32T33Very low33.3Very low126 Ų126138.9 Ų138.977%0.77381%0.805SS**  -151.5168.951.148.80000116.7
33D33.1Very low33.1Very low156 Ų156137.3 Ų137.383%0.83479%0.794SS**  trans-9.9159.1163.8-58.8-90.9000124.5
34G28.6Very low32.8Very low75 Ų75137.8 Ų137.877%0.77380%0.795SS**  trans153.269.2151.700000121.9
35D30.7Very low32.4Very low148 Ų148137 Ų13779%0.79179%0.79SS**  trans39.7149.2137.5-144.825.7000127.1
36L31.6Very low32.3Very low159 Ų159134.5 Ų134.583%0.83279%0.785SS**  trans46.2133.9157.5-76.5169.7000124.3
37G28.2Very low32.1Very low84 Ų84133.5 Ų133.587%0.86678%0.779SS**  trans175.8106160.400000116.2
38N29.6Very low31.8Very low151 Ų151130.4 Ų130.481%0.80777%0.774SS**  trans-107.9134.7-166.8-165.225.4000114.2
39R29.6Very low31.5Very low228 Ų228133.8 Ų133.886%0.8678%0.781SS**  trans166.9127.1145-99.9170.3164.5-179.8-6.4111.4
40Q32.4Very low30.6Very low166 Ų166132.6 Ų132.678%0.77678%0.775SS**  58.2127.956.8-99.5-172.71.900112.6
41T30.8Very low30.3Very low105 Ų105137.2 Ų137.264%0.64478%0.777SS**  cis-162.1156.63349.70000114.6
42T30.6Very low30.2Very low123 Ų123134.7 Ų134.776%0.75578%0.777SS**  trans61153.3135.555.40000123.5
43S31.6Very low30.1Very low87 Ų87135.3 Ų135.361%0.60877%0.771SS**  cis174.2169-21.157.50000111.7
44L29.9Very low30Very low161 Ų161132.4 Ų132.484%0.84376%0.763SS**  trans75133.6160.7-57.1158000117.3
45S27.3Very low30.1Very low108 Ų108135.8 Ų135.876%0.75576%0.764SS**  cis109.9138.92.9-163.20000116.5
46S32.6Very low30.1Very low105 Ų105136.6 Ų136.673%0.73476%0.763SS**  trans75.1148.8161.6153.60000118.4
47S31Very low30.1Very low112 Ų112136 Ų13678%0.78376%0.76SS**  cis-173173.6-11.8-74.30000110.8
48G27.5Very low30.3Very low64 Ų64140.5 Ų140.566%0.6676%0.763SS**  trans102.2120.9158.300000115.6
49E30.6Very low30.5Very low194 Ų194142.5 Ų142.591%0.90777%0.768SS**  69.2136.569.7-72.5-166.3105.400114.4
50S28.6Very low30.5Very low98 Ų98135.5 Ų135.569%0.68577%0.767SS**  cis-169.2157.8-10.3610000112.5
51R27.3Very low30.5Very low200 Ų200133.9 Ų133.976%0.75577%0.774SS**  trans57.9123.2138.7-172.5-179.2-174.8165.22.7123.6E53R51-E53 IonicContact CZ-OE2 3.32Å; R51-E53 VanDerWaalsContact CZ-OE2 3.32Å; R51-E53 IonicContact NE-OE2 2.97Å; R51-E53 PolarHBondContact NE-OE2 2.82Å; R51-E53 IonicContact NH2-OE2 2.77Å; R51-E53 PolarHBondContact NH2-OE2 3.12Å
52M30.3Very low30.5Very low179 Ų179134.8 Ų134.888%0.88278%0.784SS**  -161.3139.2122.8-65.8-152.317900107
53E30.3Very low30.6Very low139 Ų139134 Ų13465%0.6579%0.79SS**  60125.460-81.4175.591.500112.6R51R51-E53 IonicContact CZ-OE2 3.32Å; R51-E53 VanDerWaalsContact CZ-OE2 3.32Å; R51-E53 IonicContact NE-OE2 2.97Å; R51-E53 PolarHBondContact NE-OE2 2.82Å; R51-E53 IonicContact NH2-OE2 2.77Å; R51-E53 PolarHBondContact NH2-OE2 3.12Å
54S30Very low30.6Very low95 Ų95135.4 Ų135.466%0.66480%0.8SS**  cis-159.4157.813.2-41.70000115.2
55D31.2Very low30.7Very low145 Ų145132.5 Ų132.578%0.77580%0.799SS**  trans53.9148.4133.9-66.1-17.1000127.9
56Q31.7Very low31.1Very low165 Ų165135.5 Ų135.577%0.77181%0.806SS**  trans101.395.5145.1-87.3161.88200121.9
57D30.1Very low31.2Very low147 Ų147140 Ų14079%0.78682%0.815SS**  31.7131.8127.5-63.1-55000122
58L33.6Very low31.3Very low178 Ų178142 Ų14293%0.93282%0.817SS**  -165.3145.3117.9-104.9166.8000113
59Q33.4Very low31.5Very low194 Ų194149.2 Ų149.291%0.90783%0.825SS**  trans-91.3156179.4-67.6171.8-18.700112.1
60G29.1Very low31.7Very low81 Ų81146.7 Ų146.784%0.83581%0.813SS**  trans171.947.1170.100000118.7
61S32.7Very low31.9Very low131 Ų131151.4 Ų151.492%0.91682%0.821SS**PPolyproline II helixtrans-77.6127.6173.7-62.30000112.5
62S31.4Very low32Very low124 Ų124146.8 Ų146.887%0.86782%0.819SS**PPolyproline II helixtrans-85.3139.1170.443.70000111.6
63A32.7Very low31.8Very low106 Ų106148.9 Ų148.988%0.87682%0.817SS**PPolyproline II helixtrans-103.7149.7-172.500000113.3
64S32.2Very low31.9Very low118 Ų118151.5 Ų151.583%0.82582%0.821SS**  trans-129.6111.2157.6500000107.2
65A32.2Very low31.9Very low99 Ų99155.6 Ų155.682%0.81883%0.83SS**  87.888.771.700000112.3
66L35.8Very low31.8Very low171 Ų171155 Ų15590%0.89583%0.827SS**  trans-115.8130.9158.5-75.2171000107.7
67E34Very low31.7Very low199 Ų199154 Ų15493%0.9383%0.831SS**  trans-162.3155.4134.3-120.7-175.2119.300113.5
68N33.1Very low31.6Very low155 Ų155153.9 Ų153.983%0.82984%0.836SS**  trans-81.9163.8176.6-82.3-58.3000111.7
69R32.4Very low31.7Very low215 Ų215154.6 Ų154.681%0.81183%0.832SS**  159.7109.5109.9-172.8163.7-166.2172.33.4116.1
70E32.9Very low31.5Very low142 Ų142152 Ų15266%0.66483%0.829SS**  42.1116.7128.2-162.2-159.7164.800121.7
71K33.3Very low31.5Very low197 Ų197158.9 Ų158.986%0.85783%0.83SS**  -166.7140.3115.7-123.1174.3-177.6170.20118.7
72S28.9Very low31.2Very low102 Ų102164 Ų16471%0.71383%0.829SS**  trans-47.1152.9174.2-170.50000120.2
73R27.4Very low31Very low223 Ų223164.1 Ų164.184%0.84283%0.825SS**  -162110.3120.2-170.5166.5175.4169.8-2.9116.6
74R32Very low31Very low195 Ų195165.3 Ų165.374%0.73682%0.821SS**  trans25.7134141.8-57.1177.4-179159.50.7123.2
75E30.8Very low31.7Very low180 Ų180165.9 Ų165.984%0.84182%0.822SS**  -164116.8105.6-99.6175.7-178.200108.8
76N28.5Very low31.5Very low134 Ų134164.7 Ų164.772%0.71782%0.82SS**  76.9107.479.1-75.4-8.5000115.8
77V29.3Very low31.2Very low142 Ų142166.7 Ų166.786%0.86182%0.822SS**  -167.4124.8124.2165.80000109.3
78T28.3Very low31.2Very low145 Ų145163.7 Ų163.789%0.8982%0.817SS**  trans-149.1153.5159.4-36.60000112
79K35Very low31.1Very low194 Ų194165 Ų16584%0.84382%0.817SS**  trans-81.7140.4-163.9168.3-173.5179.9179.30116
80T29.2Very low31.1Very low138 Ų138162 Ų16285%0.84781%0.811SS**  trans177.1169.2157.424.80000108.9
81R28.9Very low31.1Very low226 Ų226163 Ų16385%0.85382%0.815SS**  cis-172.8121.4-24.4166.3-172.4174.3-152-1.1109
82R26.5Very low30.9Very low238 Ų238158.8 Ų158.890%0.89881%0.811SS**  trans-176.4145.8166.5-103.8169.8-142.6-1537.9109.3
83T28.1Very low30.9Very low127 Ų127158 Ų15878%0.77982%0.819SS**  cis-160.4154.7-6.9-8.10000109.9
84T32.2Very low30.8Very low131 Ų131151.3 Ų151.380%0.80482%0.819SS**  trans-82.4178.6160.236.70000110.5
85P47.8Very low30.7Very low130 Ų130146 Ų14684%0.84483%0.825SS**  cis-143.1-178.514.544-24.9000118.5
86G26.3Very low30.6Very low75 Ų75142.6 Ų142.677%0.77382%0.821SS**  trans132147.5155.900000114.1
87K30.2Very low30.9Very low213 Ų213141.1 Ų141.193%0.92682%0.821SS**  cis-171.1154.8-17.9-175.6174.1178.1-177.90105.5
88V33.9Very low31.3Very low136 Ų136138.8 Ų138.882%0.82482%0.817SS**  trans-81.7139.2-167.1173.30000115.3
89Q32.3Very low32.6Very low181 Ų181137.6 Ų137.685%0.84681%0.811SS**  trans-169.3150.9155.5-129.4162.2-30.800110
90K31.6Very low32.4Very low153 Ų153135 Ų13567%0.66581%0.812SS**  cis-176.4125.8-31.4171.4-179167.8-177.60108.8
91Q32.8Very low32.5Very low163 Ų163133.7 Ų133.776%0.76281%0.808SS**  trans62.9163.9157.9-73.6174.6-19.100118
92S29.7Very low32.9Very low109 Ų109130.9 Ų130.976%0.76281%0.809SS**  cis-170.1155.4-738.10000112.1
93G27.6Very low33.6Very low86 Ų86125.4 Ų125.489%0.88780%0.804SS**  trans81.6155.9155.300000117.1
94G26.9Very low33.9Very low81 Ų81128.3 Ų128.384%0.83581%0.806SS**  cis151.5128.1-6.900000113.1
95G28.3Very low34.7Very low84 Ų84126.4 Ų126.487%0.86680%0.796SS**  trans78.7164.2175.100000115.6
96S29.7Very low33.8Very low108 Ų108128.8 Ų128.876%0.75580%0.795SS**  cis-166160.4-2.4-169.10000111.3
97S34.8Very low34Very low104 Ų104130.4 Ų130.473%0.72780%0.795SS**  trans29.2147.2142.459.80000121.9
98A36.3Very low35.3Very low92 Ų92125.7 Ų125.776%0.7679%0.786SS**  cis-171.8174.24.200000110.4
99P57.3Low36Very low120 Ų120125 Ų12578%0.77979%0.785SS**  trans-112.7171.9-172.141.6-32.9000115.4
100V30.6Very low35.9Very low141 Ų141125 Ų12586%0.85579%0.785SS**  trans-153.3147164.9-1780000107.1
101S30.8Very low35.9Very low110 Ų110124 Ų12477%0.76979%0.791SS**  cis-178.9149.2-35.8-89.40000106
102L37.1Very low35.8Very low167 Ų167121.8 Ų121.887%0.87479%0.793SS**  trans-57.7171178.1-83.2156.8000114.6
103P41.8Very low35.6Very low122 Ų122120.5 Ų120.579%0.79280%0.797SS**  cis-153.1-179.93943-19.9000121.2
104K34.2Very low35.8Very low189 Ų189121.8 Ų121.882%0.82279%0.793SS**  trans-66.5-177.6156.5-112.1-178.3178176.40110.8
105P49.4Very low36Very low91 Ų91125.4 Ų125.459%0.59179%0.792SS**  cis-144.1-165.918.6245.3000117
106H28.5Very low36.4Very low180 Ų180129.8 Ų129.883%0.83379%0.79SS**  trans122.2149.4147.1-62.2-64000120.2
107S29.6Very low36.6Very low109 Ų109136 Ų13676%0.76280%0.797SS**  trans-156.6-179.9177.5560000107.6
108P58.9Low36.7Very low114 Ų114139.7 Ų139.774%0.7480%0.802SS**  cis-112-155.4-33.934.3-14000110.6
109P47.4Very low36.6Very low122 Ų122143.9 Ų143.979%0.79281%0.806SS**  -149.1-16886.140.1-19.5000116.4
110E30.4Very low35.9Very low181 Ų181143.2 Ų143.285%0.84680%0.804SS**  trans-79.4175.6-164.9-54.8165.6120.300114.2
111V31.7Very low36.4Very low132 Ų132143.4 Ų143.480%0.881%0.805SS**  -160.115856.8166.40000113.6
112S30.1Very low37.2Very low116 Ų116142 Ų14281%0.81180%0.8SS**  trans-47.7151.7-174.356.40000122.1
113G27Very low37.8Very low81 Ų81139.9 Ų139.984%0.83580%0.795SS**  trans-160.7144.6156.600000109.4
114S30.5Very low37.9Very low114 Ų114139.6 Ų139.680%0.79779%0.791SS**  trans-107.7160.1-157.6-162.60000116.4
115L32.3Very low38.6Very low156 Ų156137.2 Ų137.282%0.81778%0.782SS**  trans89142.2152.1-89.3158.7000122.5
116E35.4Very low38.3Very low176 Ų176137.3 Ų137.382%0.82279%0.791SS**  trans81.5134.3165.4-79.5-174.595.500123.2
117R35.4Very low39.2Very low240 Ų240139.5 Ų139.591%0.90679%0.792SS**  trans77.383.1161.6-107.9168178.6-120.3-4.2120.1
118Q36.4Very low39.9Very low180 Ų180141.9 Ų141.984%0.84180%0.796SS**  trans-56.9162144.3-104175.1-8300112.9
119E34.6Very low39.5Very low180 Ų180145.6 Ų145.684%0.84180%0.795SS**  trans88.4134.5163.1-65-172.2130.100121.3
120S42.4Very low39.1Very low106 Ų106149.1 Ų149.174%0.74180%0.803SS**  trans84.347.3161.8730000121A122S120-A122 VanDerWaalsContact C-N 3.29Å; S120-A122 PolarHBondContact O-N 3.13Å; S120-A122 VanDerWaalsContact O-N 3.12Å
121V40.4Very low40Very low145 Ų145149.9 Ų149.988%0.87981%0.807SS**  trans-76.185.2147.4-175.70000108.5
122A46.8Very low40.6Very low80 Ų80147.1 Ų147.166%0.66181%0.805SS**  trans-143.122.4-172.900000114.6S120S120-A122 VanDerWaalsContact C-N 3.29Å; S120-A122 PolarHBondContact O-N 3.13Å; S120-A122 VanDerWaalsContact O-N 3.12Å
123T50.1Low41.1Very low124 Ų124147.8 Ų147.876%0.76180%0.804SS**SBendtrans-132.71.3-170.346.80000116
124T44.8Very low41.8Very low115 Ų115153.4 Ų153.471%0.70681%0.808SS**SBendtrans-112.2-20.8-176.849.20000115.5
125E48.1Very low42.1Very low139 Ų139155.3 Ų155.365%0.6581%0.809SS**SBendtrans-86.1-21.3179-152.5-172137.200113.5R127 R129E125-R127 PolarHBondContact O-N 3.34Å; E125-R127 VanDerWaalsContact O-N 3.13Å; E125-R129 IonicContact OE1-CZ 2.75Å; E125-R129 IonicContact OE1-NH1 3.15Å; E125-R129 PolarHBondContact OE1-NH1 2.91Å; E125-R129 IonicContact OE1-NH2 3.86Å
126A43.8Very low42.3Very low94 Ų94155.2 Ų155.278%0.77780%0.802SS**THydrogen-bonded Turntrans-75.22.4-174.500000115.3
127R46.8Very low42.4Very low226 Ų226155 Ų15585%0.85380%0.801SS**THydrogen-bonded Turntrans-102.92.7-174.3-163.4164.1174.284.21.7114.8E125E125-R127 PolarHBondContact O-N 3.34Å; E125-R127 VanDerWaalsContact O-N 3.13Å
128L44.6Very low42.3Very low159 Ų159150.1 Ų150.183%0.83279%0.788SS**SBendtrans-126.630-175.1-69.9174.9000114.7
129R51.5Low43.1Very low191 Ų191151.8 Ų151.872%0.72179%0.787SS**  trans-135.837177.1-71.8-167.2174.197.5-3.1115.1E125E125-R129 IonicContact OE1-CZ 2.75Å; E125-R129 IonicContact OE1-NH1 3.15Å; E125-R129 PolarHBondContact OE1-NH1 2.91Å; E125-R129 IonicContact OE1-NH2 3.86Å
130M38.3Very low43Very low197 Ų197151.3 Ų151.397%0.9779%0.785SS**  trans-128.864.8164.7-70.9-166-64.500110.6
131E48.5Very low42.9Very low196 Ų196154 Ų15492%0.91679%0.791SS**  trans-118.7129.2162.5-177.7172.5-162.100106.1
132G45.8Very low42.8Very low75 Ų75155 Ų15577%0.77379%0.786SS**  trans100.667.6-17800000115.8
133V39Very low42.3Very low130 Ų130158.5 Ų158.579%0.78879%0.794SS**  trans-127.186.4151.8-176.90000107.8L135V133-L135 HydrophobicContact CG1-CG 4.28Å; V133-L135 PolarHBondContact O-N 3.35Å
134E42.5Very low41.4Very low198 Ų198162.1 Ų162.193%0.92580%0.799SS**  trans-70109.4163.5-80.5178109.100108.6
135L36.3Very low41.7Very low154 Ų154161.3 Ų161.381%0.80680%0.796SS**  trans-98.7108.9158.7-81.9174.3000108.6V133 E137V133-L135 HydrophobicContact CG1-CG 4.28Å; V133-L135 PolarHBondContact O-N 3.35Å; L135-E137 PolarHBondContact O-N 3.48Å; L135-E137 VanDerWaalsContact O-N 3.12Å
136K36.8Very low41.1Very low155 Ų155165.9 Ų165.967%0.67481%0.807SS**  trans-53.8105.7176.3-174.6-170.5179.8-155.50110.5E138K136-E138 VanDerWaalsContact C-N 3.26Å; K136-E138 HydrophobicContact CD-CB 4.47Å; K136-E138 WeakPolarHBondContact CE-OE2 3.37Å; K136-E138 HydrophobicContact CG-CB 4.34Å; K136-E138 IonicContact NZ-OE1 2.95Å; K136-E138 PolarHBondContact NZ-OE1 3.03Å; K136-E138 IonicContact NZ-OE2 3.81Å; K136-E138 PolarHBondContact NZ-OE2 2.96Å; K136-E138 PolarHBondContact O-N 3.33Å
137E36.8Very low40.9Very low170 Ų170167 Ų16779%0.79481%0.807SS**  trans-73.580169-74-167.4127.200110.2L135L135-E137 PolarHBondContact O-N 3.48Å; L135-E137 VanDerWaalsContact O-N 3.12Å
138E33.8Very low40.6Very low138 Ų138164 Ų16465%0.64581%0.807SS**  trans-96.376.5167.7-170.1166.4-130.200108.5K136K136-E138 VanDerWaalsContact C-N 3.26Å; K136-E138 HydrophobicContact CD-CB 4.47Å; K136-E138 WeakPolarHBondContact CE-OE2 3.37Å; K136-E138 HydrophobicContact CG-CB 4.34Å; K136-E138 IonicContact NZ-OE1 2.95Å; K136-E138 PolarHBondContact NZ-OE1 3.03Å; K136-E138 IonicContact NZ-OE2 3.81Å; K136-E138 PolarHBondContact NZ-OE2 2.96Å; K136-E138 PolarHBondContact O-N 3.33Å
139W53.6Low40.2Very low216 Ų216162.2 Ų162.282%0.81880%0.804SS**PPolyproline II helixtrans-78.7118.5169.5-75.5106.4000109.1D141W139-D141 PolarHBondContact O-N 3.34Å
140Q31.9Very low39.4Very low170 Ų170162.2 Ų162.279%0.79481%0.813SS**PPolyproline II helixtrans-62.6128.5175.8-70.3170.3-26.300110.8
141D41.5Very low39.5Very low162 Ų162161.7 Ų161.787%0.86681%0.808SS**PPolyproline II helixtrans-72.4117.1151.5-67.4-52.4000107.4W139W139-D141 PolarHBondContact O-N 3.34Å
142E37.9Very low38.9Very low165 Ų165161.4 Ų161.477%0.77181%0.807SS**  trans-144.3146.1167.8-87-65.9139.800109.9
143D35.2Very low38.3Very low155 Ų155166.6 Ų166.683%0.82981%0.811SS**  trans-80.8158.1-160.4-76.3-74.9000116.1
144F32.3Very low38.1Very low200 Ų200168.9 Ų168.988%0.87782%0.817SS**  trans-73.9161.9152.8-95.3-91.7000109.9
145P51.1Low37.7Very low97 Ų97167.7 Ų167.763%0.6382%0.817SS**  cis-139.5169.9-0.236.7-17.8000115.8
146R34.7Very low37.7Very low235 Ų235169.1 Ų169.189%0.88782%0.82SS**  179.5164.3114.9-100.9-173.9-100-148.3-2.3114.2
147P40.2Very low37.5Very low119 Ų119170.8 Ų170.877%0.77383%0.828SS**  trans-92.7174-155.637.4-39.3000116.9
148L39.8Very low37.2Very low162 Ų162172.5 Ų172.585%0.84883%0.833SS**  trans-49159.3-178.8-64.4165.9000116.9
149P35.4Very low37.1Very low121 Ų121172.2 Ų172.279%0.78685%0.846SS**  -104.8169128.835.6-31.8000112.2
150E36.1Very low35.9Very low192 Ų192165.2 Ų165.290%0.89784%0.841SS**  trans-90.2176.6-152.4-66.4163.1158.400115.9
151E40.6Very low35.7Very low186 Ų186164 Ų16487%0.86985%0.845SS**  trans-55.2149.1-172.4-46.5-179.3151.400115.6
152E34.7Very low35.1Very low190 Ų190162.1 Ų162.189%0.88885%0.845SS**  trans-160.2130.1133.1-113.3165.8-164.300112.5
153E34.5Very low34.9Very low184 Ų184163.2 Ų163.286%0.8685%0.85SS**  trans59.798142.2-151.9163.7-116.300121.7
154L34.5Very low34.9Very low177 Ų177162.6 Ų162.693%0.92784%0.842SS**  trans-152.574.3151-97.1-176.1000110.7
155D33.2Very low34.8Very low173 Ų173163.6 Ų163.693%0.92584%0.84SS**  trans-130.246.5177.2-122.6-14.6000111.8
156E37.3Very low34Very low184 Ų184166.1 Ų166.186%0.8685%0.849SS**  trans-147.173.7179.2-158.1160.5-132.900113.1
157F33Very low34.8Very low190 Ų190160.2 Ų160.283%0.83384%0.841SS**  trans-146.718.9174-134.5-91.4000116.9
158F30.5Very low34.2Very low207 Ų207157.7 Ų157.791%0.90884%0.836SS**  trans-140.464.6175.7-73.9-73.4000113.7
159S30.5Very low33.8Very low131 Ų131161.8 Ų161.892%0.91684%0.842SS**  trans-15091161.2-82.80000111.7
160G28.1Very low33.6Very low70 Ų70158.8 Ų158.872%0.72283%0.832SS**  trans-117.7159.9149.500000107.8
161T28.8Very low33.3Very low143 Ų143159.1 Ų159.188%0.87783%0.834SS**  cis-162.61469.744.20000108.9
162S29.1Very low32.8Very low124 Ų124157.4 Ų157.487%0.86783%0.831SS**  trans-158.6155.8155.955.60000110.8
163E34.3Very low32.9Very low188 Ų188156.2 Ų156.288%0.87983%0.826SS**  trans-95.9170.6-151.4-62.3162.599.800117.2
164E33.3Very low32.9Very low142 Ų142152.8 Ų152.866%0.66482%0.822SS**  trans91120.6146.6-76.8-115.7110.200122.9
165R30.5Very low33.4Very low221 Ų221154.2 Ų154.283%0.83482%0.82SS**  trans91.1146.4147.9-79.6178.5-99.6152-1.8121.7
166D35.8Very low33.8Very low150 Ų150155.8 Ų155.880%0.80282%0.819SS**  trans-140.6173.5-159.4-176.652.5000107.4
167P51.3Low34Very low111 Ų111151.5 Ų151.572%0.72182%0.815SS**  cis-122.4178.8-18.717.75.8000114
168G27.2Very low34.6Very low65 Ų65152.4 Ų152.467%0.6782%0.819SS**  trans151.9117.2141.400000119.1
169Y32.1Very low35.7Very low249 Ų249152 Ų15298%0.97682%0.816SS**  trans54.8146.7158.9-77.3-103.1000118.5
170G29.4Very low36.6Very low57 Ų57155.2 Ų155.259%0.58881%0.814SS**  cis138.2101.14.300000110.7
171E31.5Very low37.5Very low199 Ų199160 Ų16093%0.9382%0.822SS**  trans59.6140.4177.1-75.8159.1111.100116.5
172D30.3Very low38.5Very low151 Ų151158.7 Ų158.781%0.80782%0.819SS**  -161.3164.160.2-1699.1000112.6
173Q36.7Very low39.4Very low165 Ų165157.3 Ų157.377%0.77182%0.815SS**  trans-82.8137.4177.7-57.317721.200112.2
174S33Very low40.2Very low111 Ų111154.2 Ų154.278%0.77681%0.811SS**  trans-157.1105.6155.6-93.70000115.3
175K45.3Very low40.6Very low208 Ų208155.5 Ų155.590%0.90482%0.822SS**  trans-35.5129.8168.1-57.8156.5-175.3169.60113.2
176K42.5Very low41.5Very low205 Ų205152.9 Ų152.989%0.89182%0.822SS**  trans-131.4131160.7-70.3-175.4-178.3170.10111.1
177A40.4Very low41.9Very low94 Ų94150.8 Ų150.878%0.77782%0.819SS**  trans-76.4150.9-169.700000113K179A177-K179 PolarHBondContact O-N 3.37Å
178K47.1Very low41.5Very low209 Ų209153 Ų15391%0.90982%0.824SS**  trans-61.7105.8173.6-63.7-176.1177-171.70110.1K180K178-K180 PolarHBondContact O-N 3.22Å
179K52.3Low42.2Very low198 Ų198156 Ų15686%0.86183%0.829SS**  trans-79101.9169.7-74-176.5173.8-176.80109.1A177 L181A177-K179 PolarHBondContact O-N 3.37Å; K179-L181 PolarHBondContact O-N 3.45Å
180K50.3Low42.7Very low199 Ų199152.7 Ų152.787%0.86583%0.828SS**PPolyproline II helixtrans-67.5125.2163.5-75.1-175.8171.7-173.40108.5K178K178-K180 PolarHBondContact O-N 3.22Å
181L46Very low43.3Very low170 Ų170157.6 Ų157.689%0.8984%0.841SS**PPolyproline II helixtrans-92.8118164.6-67.9170.1000107.3K179K179-L181 PolarHBondContact O-N 3.45Å
182S49.6Very low43.6Very low117 Ų117158.2 Ų158.282%0.81883%0.834SS**PPolyproline II helixtrans-89.1121168.2-60.80000108.3
183A49.1Very low44Very low95 Ų95155.7 Ų155.779%0.78583%0.828SS**PPolyproline II helixtrans-78.2139.8168.200000109.6
184P49.8Very low44Very low122 Ų122157.3 Ų157.379%0.79284%0.836SS**PPolyproline II helixtrans-74.2144.4172.130.1-33000111.4
185D42.6Very low44.1Very low169 Ų169156 Ų15690%0.90484%0.839SS**PPolyproline II helixtrans-63.3137.6171.9-100.7-44.3000111.3
186M50.4Low43.6Very low166 Ų166152.1 Ų152.182%0.81884%0.839SS**  trans-112.396.8169.356.2163.5-167.500110.9
187S43.4Very low43.4Very low106 Ų106150 Ų15074%0.74184%0.836SS**  trans-83.1114165.944.70000110T189S187-T189 PolarHBondContact O-N 2.93Å
188L43.5Very low43.1Very low157 Ų157153.4 Ų153.482%0.82284%0.841SS**  trans-92.393.9172.4-69.9174.2000110
189T40.3Very low42.5Very low129 Ų129149.1 Ų149.179%0.79184%0.837SS**  trans-94.3110.5164.848.60000109.2S187 D191S187-T189 PolarHBondContact O-N 2.93Å; T189-D191 PolarHBondContact O-N 2.98Å
190L42.5Very low41.7Very low179 Ų179147.1 Ų147.194%0.93784%0.836SS**  trans-79.6112.7167.8-79.4166.7000108.7
191D43.5Very low41.3Very low161 Ų161146 Ų14686%0.86183%0.833SS**  trans-86.3157.5173.8-166.923000111.8T189T189-D191 PolarHBondContact O-N 2.98Å
192R37.8Very low40.9Very low211 Ų211145.5 Ų145.580%0.79683%0.831SS**  trans-107113.5-165.9177.7177.6174.5176.9-3111
193S37.3Very low40.6Very low98 Ų98147.5 Ų147.569%0.68583%0.827SS**  trans17125.7157.164.70000120
194E36.8Very low40.6Very low200 Ų200151 Ų15194%0.93583%0.827SS**  trans-161.2145.8134.135.7-145.7150.400113.4
195G35.3Very low40.2Very low82 Ų82152.7 Ų152.785%0.84583%0.828SS**  trans133.272.8170.300000117.3
196S35.2Very low40Very low127 Ų127149 Ų14989%0.88881%0.812SS**  -162.4126.2126.6-162.10000111
197L37.6Very low39.9Very low160 Ų160148 Ų14884%0.83881%0.81SS**  trans-88.1138.5179.8-58.9162.2000109.7
198L34.1Very low39.7Very low167 Ų167151.4 Ų151.487%0.87482%0.819SS**  trans-156.4112.4137.9-84.1-163.7000110.8
199S35.3Very low39.9Very low119 Ų119151.4 Ų151.483%0.83282%0.82SS**  trans32.9117.5147.9-47.80000121
200D35.2Very low40.5Very low156 Ų156152.4 Ų152.483%0.83482%0.82SS**  trans-110.4114.9163.1-175.922.9000108.2
201E41.9Very low40.7Very low174 Ų174151.7 Ų151.781%0.81382%0.817SS**  trans-155.396.1161.9-165.8162.5-166.600108.6
202L37.5Very low41Very low161 Ų161151.6 Ų151.684%0.84382%0.816SS**  trans-99.6101179.1174.667.4000109.3
203E44.4Very low41.3Very low158 Ų158150.1 Ų150.174%0.73882%0.82SS**  trans-99121.1164.1-72.2-165.8148.300110.9
204E47.1Very low41.4Very low168 Ų168154.7 Ų154.779%0.78583%0.831SS**  trans30.699.7130.9-166.4169.5-173.700118.3
205I41.7Very low42Very low159 Ų159151.5 Ų151.582%0.81583%0.825SS**  trans-133101.8147.6-54.6179.9000108.6
206T38.4Very low42.6Very low91 Ų91153.3 Ų153.356%0.55882%0.822SS**  trans-88.1167.6155.4570000109.7
207D48.6Very low42.6Very low144 Ų144152.5 Ų152.577%0.7782%0.817SS**  trans66.691.7157.5-44-44.4000118.2
208L40.4Very low42.5Very low178 Ų178152.2 Ų152.293%0.93282%0.816SS**  trans-126112.6149.2-89.7167000108.4
209D46.3Very low42.7Very low158 Ų158151.2 Ų151.285%0.84581%0.811SS**  trans-85.3161.9-169.3-153.4-1.3000112.8
210L52.8Low43.1Very low150 Ų150150.1 Ų150.179%0.78580%0.804SS**  trans-88.1120.1176.6-63.7165.8000109.9
211D47.2Very low43.1Very low164 Ų164150.3 Ų150.388%0.87781%0.805SS**  trans17197.2141.3-93-19.9000110.4
212D50.1Low43.1Very low158 Ų158148.3 Ų148.385%0.84580%0.795SS**  trans-170.1113.9138.2-126.7-22.5000111.6
213M44.6Very low42.9Very low180 Ų180148.9 Ų148.989%0.88779%0.791SS**  163.3116.9122.9-85.5-153.8-61.300110.8
214E39.9Very low42.8Very low195 Ų195147.9 Ų147.991%0.91179%0.787SS**  trans-71149.3174.7-69.1-179.2108.300113.4
215T47.5Very low42.4Very low133 Ų133151.5 Ų151.582%0.81679%0.793SS**  trans-64.1171156.18.20000110.7
216P49.9Very low42.1Very low120 Ų120152.6 Ų152.678%0.77980%0.795SS**  cis-141.3-176.817.941.3-21.4000116.1
217S33.8Very low42.2Very low110 Ų110154.7 Ų154.777%0.76981%0.808SS**  172.6111.7127.4-176.90000113.4
218D36Very low41.6Very low153 Ų153152.9 Ų152.982%0.81881%0.806SS**  trans20.8114.7134-163.313.3000120.6
219N39Very low41.8Very low147 Ų147152 Ų15279%0.78680%0.802SS**  trans-162.3121139.4-175.7-2.2000110.9
220S43.4Very low41.5Very low96 Ų96151 Ų15167%0.67180%0.797SS**  trans-48.2141.1174.350.30000117.4
221N35.2Very low40.9Very low160 Ų160151.1 Ų151.186%0.85680%0.797SS**  -148.3141.7115.5-165.543.5000112.3
222E41.8Very low41.2Very low131 Ų131148.1 Ų148.161%0.61279%0.787SS**  trans-79.9141.6-175.1-179.1-179.8-179.300111.9
223F33.8Very low40.5Very low173 Ų173150.7 Ų150.776%0.75979%0.791SS**  -173.1133.2114-113.7-83.4000112.7
224E41.9Very low40.2Very low138 Ų138147.1 Ų147.165%0.64578%0.781SS**  trans-71147.4-175.1-54.4165.5128.600112.7
225W38.3Very low40.5Very low243 Ų243147.6 Ų147.692%0.9278%0.78SS**  trans-148.697.9130.8-74.7115.2000109.1V227W225-V227 PolarHBondContact O-N 3.42Å
226E35Very low40.4Very low182 Ų182146.8 Ų146.885%0.8578%0.775SS**  trans-62.3122.9160.6-67.3-170.3142.800108.9
227V39.8Very low40.5Very low136 Ų136146.7 Ų146.782%0.82477%0.772SS**  trans-107.1111.1162.9174.60000106.7W225W225-V227 PolarHBondContact O-N 3.42Å
228S37.1Very low41.1Very low105 Ų105149.7 Ų149.773%0.73477%0.774SS**  trans-62.6150.7176.9-49.60000112.2
229D45Very low41.7Very low160 Ų160149.1 Ų149.186%0.85677%0.77SS**  trans-36.6131164.9-101.6-39.3000113.3
230D39.7Very low42Very low136 Ų136148.2 Ų148.273%0.72776%0.764SS**  -177.3113.9100.3-143.3-17.1000112.7
231L40.5Very low42Very low153 Ų153150.8 Ų150.880%0.80177%0.766SS**  trans68.4167.1153.1-120.172.2000121
232P52.9Low42.4Very low102 Ų102151.8 Ų151.866%0.66276%0.762SS**  -121.3163.2-90.440.5-28000115.1
233K34.3Very low42.3Very low211 Ų211150.7 Ų150.792%0.91777%0.765SS**  trans-157.1162.9167.4-108.7131-172.41780116.6
234P39.9Very low43Very low106 Ų106147 Ų14769%0.68876%0.756SS**  trans-106.4176-153.141.8-38.2000116.6T236P234-T236 PolarHBondContact O-N 3.02Å
235K45.1Very low43.1Very low205 Ų205147.2 Ų147.289%0.89176%0.762SS**  trans-64.9113.5178.9-54.3174.6-179.1-175.80113.2
236T46.3Very low43.6Very low116 Ų116140.6 Ų140.671%0.71275%0.753SS**  trans-149.555.8169.955.40000113.4P234P234-T236 PolarHBondContact O-N 3.02Å
237T51.4Low44.3Very low117 Ų117137.9 Ų137.972%0.71875%0.748SS**SBendtrans-120.7-27.117840.60000115.2I239T237-I239 PolarHBondContact O-N 2.98Å
238E46.4Very low44.9Very low174 Ų174138.2 Ų138.281%0.81374%0.741SS**Hα-helixtrans-73.5-21-178.1-67.4-178.4142.800114.9
239I48.1Very low45.7Very low141 Ų141142.1 Ų142.172%0.72375%0.747SS**Hα-helixtrans-76.5-31.7-176.5-60.8175.6000111.7T237T237-I239 PolarHBondContact O-N 2.98Å
240L46.9Very low45.8Very low128 Ų128139.9 Ų139.967%0.6773%0.728SS**Hα-helixtrans-82.9-30.6-171.2-143.5159.5000112.2T243L240-T243 PolarHBondContact O-N 3.28Å; L240-T243 PolarHBondContact O-OG1 2.89Å
241Q43.1Very low47.2Very low150 Ų150135.7 Ų135.770%0.70171%0.709SS**Hα-helixtrans-72.6-34.3179.8-151.115917.800112T243 V244Q241-T243 PolarHBondContact O-N 2.84Å; Q241-V244 PolarHBondContact O-N 3.24Å
242K42.5Very low48.3Very low181 Ų181131.8 Ų131.879%0.78770%0.699SS**THydrogen-bonded Turntrans-70.8-12.2176.6-166.3167.2-176.9174.10114.4
243T40.4Very low48.5Very low107 Ų107131.7 Ų131.766%0.65670%0.696SS**THydrogen-bonded Turntrans-92.3-0.4178.744.50000114.9L240 Q241L240-T243 PolarHBondContact O-N 3.28Å; L240-T243 PolarHBondContact O-OG1 2.89Å; Q241-T243 PolarHBondContact O-N 2.84Å
244V47.6Very low49.7Very low97 Ų97126.1 Ų126.159%0.58867%0.674SS**THydrogen-bonded Turntrans-103.3-34.2-179-179.70000112.2Q241 S246Q241-V244 PolarHBondContact O-N 3.24Å; V244-S246 VanDerWaalsContact C-N 3.25Å; V244-S246 PolarHBondContact O-N 3.41Å; V244-S246 VanDerWaalsContact O-N 3.08Å
245D44.9Very low50.7Low141 Ų141127.2 Ų127.275%0.75467%0.67SS**SBendtrans-86.937-175.8-60.3-31.5000114.4
246S48.8Very low51.3Low105 Ų105127.3 Ų127.373%0.73466%0.664SS**  trans-150.749.6169.7-150.60000112.4V244 Q248V244-S246 VanDerWaalsContact C-N 3.25Å; V244-S246 PolarHBondContact O-N 3.41Å; V244-S246 VanDerWaalsContact O-N 3.08Å; S246-Q248 PolarHBondContact O-N 2.91Å
247V49.2Very low51.6Low125 Ų125128.1 Ų128.176%0.75866%0.66SS**  trans-78.9103.1153.2-178.80000106.3E249V247-E249 PolarHBondContact O-N 3.11Å; V247-E249 VanDerWaalsContact O-N 3.14Å
248Q53Low51.6Low143 Ų143127.8 Ų127.867%0.66865%0.65SS**  trans-70.1107.3175.5-174.1164.5-1.100108.5S246 Y250S246-Q248 PolarHBondContact O-N 2.91Å; Q248-Y250 WeakPolarHBondContact O-CD2 3.24Å; Q248-Y250 PolarHBondContact O-N 3.43Å; Q248-Y250 VanDerWaalsContact O-N 3.11Å
249E54.5Low52.1Low186 Ų186120.5 Ų120.587%0.86962%0.622SS**  trans-67.3108.4178.1-67.6-171.6147.700109.9V247V247-E249 PolarHBondContact O-N 3.11Å; V247-E249 VanDerWaalsContact O-N 3.14Å
250Y46.2Very low52.9Low114 Ų114119.9 Ų119.945%0.44761%0.611SS.*  trans-73.5143.1176.5-68.7-72.3000111.2Q248 E254 E258Q248-Y250 WeakPolarHBondContact O-CD2 3.24Å; Q248-Y250 PolarHBondContact O-N 3.43Å; Q248-Y250 VanDerWaalsContact O-N 3.11Å; Y250-E254 HydrophobicContact CD1-CB 3.94Å; Y250-E254 HydrophobicContact CG-CB 4.36Å; Y250-E258 WeakPolarHBondContact CD2-OE2 3.49Å; Y250-E258 WeakPolarHBondContact CE2-OE1 3.48Å; Y250-E258 WeakPolarHBondContact CE2-OE2 3.45Å
251S69.6Low54.6Low47 Ų47122.1 Ų122.133%0.32961%0.61SS.*  trans-62.2154.3168.765.70000111T253 E254 E255S251-T253 PolarHBondContact O-N 2.92Å; S251-T253 PolarHBondContact OG-OG1 3.47Å; S251-E254 WeakPolarHBondContact CB-OE2 3.34Å; S251-E254 PolarHBondContact N-OE2 3.33Å; S251-E254 CarbonylContact O-C 3.55Å; S251-E254 WeakPolarHBondContact O-CA 3.39Å; S251-E254 PolarHBondContact O-N 2.99Å; S251-E254 VanDerWaalsContact OG-CD 3.27Å; S251-E254 VanDerWaalsContact OG-CG 3.3Å; S251-E254 WeakPolarHBondContact OG-CG 3.38Å; S251-E254 PolarHBondContact OG-N 2.63Å; S251-E254 PolarHBondContact OG-OE2 3.5Å; S251-E255 PolarHBondContact O-N 3.41Å
252A62.4Low56.8Low71 Ų71120.2 Ų120.259%0.58760%0.597SS**THydrogen-bonded Turntrans-60-15.8178.400000114.2R256A252-R256 WeakPolarHBondContact O-CG 3.37Å
253T56.9Low59.1Low100 Ų100117.4 Ų117.461%0.61358%0.581SS**THydrogen-bonded Turntrans-78.8-46167.8310000112.2S251 R256 E257S251-T253 PolarHBondContact O-N 2.92Å; S251-T253 PolarHBondContact OG-OG1 3.47Å; T253-R256 WeakPolarHBondContact O-CB 3.41Å; T253-R256 PolarHBondContact O-N 3.21Å; T253-E257 PolarHBondContact O-N 3.05Å; T253-E257 VanDerWaalsContact O-N 3.14Å
254E60.2Low61.6Low94 Ų94116.3 Ų116.344%0.43957%0.57SS.*Hα-helixtrans-68.1-37.1176.6-70.6161.5130.800111.8Y250 S251 R256 E257 E258Y250-E254 HydrophobicContact CD1-CB 3.94Å; Y250-E254 HydrophobicContact CG-CB 4.36Å; S251-E254 WeakPolarHBondContact CB-OE2 3.34Å; S251-E254 PolarHBondContact N-OE2 3.33Å; S251-E254 CarbonylContact O-C 3.55Å; S251-E254 WeakPolarHBondContact O-CA 3.39Å; S251-E254 PolarHBondContact O-N 2.99Å; S251-E254 VanDerWaalsContact OG-CD 3.27Å; S251-E254 VanDerWaalsContact OG-CG 3.3Å; S251-E254 WeakPolarHBondContact OG-CG 3.38Å; S251-E254 PolarHBondContact OG-N 2.63Å; S251-E254 PolarHBondContact OG-OE2 3.5Å; E254-R256 PolarHBondContact O-N 2.88Å; E254-E257 CarbonylContact O-C 3.51Å; E254-E257 WeakPolarHBondContact O-CA 3.27Å; E254-E257 PolarHBondContact O-N 3.29Å; E254-E258 WeakPolarHBondContact O-CB 3.48Å; E254-E258 PolarHBondContact O-N 3.02Å
255E60.8Low63.6Low129 Ų129112 Ų11260%0.60354%0.544SS*.Hα-helixtrans-60.9-33.8173.1-164-160.4164.600111.6S251 G259S251-E255 PolarHBondContact O-N 3.41Å; E255-G259 PolarHBondContact O-N 3.37Å
256R58.9Low65.6Low208 Ų208113.9 Ų113.979%0.78554%0.54SS*.Hα-helixtrans-73.2-27.3173.3-76.1-180176.1-156.50.3113A252 T253 E254A252-R256 WeakPolarHBondContact O-CG 3.37Å; T253-R256 WeakPolarHBondContact O-CB 3.41Å; T253-R256 PolarHBondContact O-N 3.21Å; E254-R256 PolarHBondContact O-N 2.88Å
257E52.7Low67.2Low132 Ų132109.4 Ų109.462%0.61751%0.508SS*.Hα-helixtrans-83.1-40.3174.8-68.6-167.6165.200112.8T253 E254 G259 R260T253-E257 PolarHBondContact O-N 3.05Å; T253-E257 VanDerWaalsContact O-N 3.14Å; E254-E257 CarbonylContact O-C 3.51Å; E254-E257 WeakPolarHBondContact O-CA 3.27Å; E254-E257 PolarHBondContact O-N 3.29Å; E257-G259 PolarHBondContact O-N 3.3Å; E257-R260 CarbonylContact O-C 3.6Å; E257-R260 WeakPolarHBondContact O-CA 3.46Å; E257-R260 WeakPolarHBondContact O-CB 3.37Å; E257-R260 PolarHBondContact O-N 2.94Å
258E51.6Low68.6Low110 Ų110105.4 Ų105.451%0.51449%0.492SS..Hα-helixtrans-62.2-32.4168.8-173.3179.1-143.700111Y250 E254 R260Y250-E258 WeakPolarHBondContact CD2-OE2 3.49Å; Y250-E258 WeakPolarHBondContact CE2-OE1 3.48Å; Y250-E258 WeakPolarHBondContact CE2-OE2 3.45Å; E254-E258 WeakPolarHBondContact O-CB 3.48Å; E254-E258 PolarHBondContact O-N 3.02Å; E258-R260 CarbonylContact O-C 3.5Å; E258-R260 PolarHBondContact O-N 3.26Å
259G56.5Low69.8Low22 Ų22106.4 Ų106.423%0.22750%0.502CS..THydrogen-bonded Turntrans-47.1-31163.100000113E255 E257 K277E255-G259 PolarHBondContact O-N 3.37Å; E257-G259 PolarHBondContact O-N 3.3Å; G259-K277 WeakPolarHBondContact O-CD 3.37Å; G259-K277 PolarHBondContact O-NZ 2.94Å
260R63.9Low71.3Confident128 Ų128103.9 Ų103.948%0.48349%0.49SS..SBendtrans-93.693.9169.9-62-179.2-175.8149.82109.7E257 E258 W262E257-R260 CarbonylContact O-C 3.6Å; E257-R260 WeakPolarHBondContact O-CA 3.46Å; E257-R260 WeakPolarHBondContact O-CB 3.37Å; E257-R260 PolarHBondContact O-N 2.94Å; E258-R260 CarbonylContact O-C 3.5Å; E258-R260 PolarHBondContact O-N 3.26Å; R260-W262 VanDerWaalsContact C-N 3.28Å; R260-W262 HydrophobicContact CB-CZ2 4.35Å; R260-W262 PolarHBondContact O-N 3.49Å
261R83Confident73.4Confident175 Ų175102.9 Ų102.966%0.6649%0.492SS*.  trans-64.584173.3-172.4-178.3-65.3162.32.3110.8M276R261-M276 HydrophobicContact CB-CB 4.31Å; R261-M276 HydrophobicContact CG-CB 4.38Å; R261-M276 WeakPolarHBondContact O-CA 3.43Å; R261-M276 WeakPolarHBondContact O-CB 3.24Å; R261-M276 VanDerWaalsContact O-CG 3.25Å; R261-M276 WeakPolarHBondContact O-CG 3.46Å; R261-M276 PolarHBondContact O-N 3.15Å
262W89.4Confident74.4Confident109 Ų109102.7 Ų102.741%0.41349%0.486SS..EExtended strand (participates in β ladder)trans-68.5138.8178.2-66.5101.9000111.3R260 R273 V274 D275 Y317R260-W262 VanDerWaalsContact C-N 3.28Å; R260-W262 HydrophobicContact CB-CZ2 4.35Å; R260-W262 PolarHBondContact O-N 3.49Å; W262-R273 HydrophobicContact CE3-CB 4.01Å; W262-R273 HydrophobicContact CZ3-CB 4.38Å; W262-V274 CarbonylContact C-O 3.6Å; W262-V274 WeakPolarHBondContact CA-O 3.28Å; W262-V274 VanDerWaalsContact CE3-C 3.43Å; W262-D275 HydrophobicContact CE3-CB 4.1Å; W262-D275 HydrophobicContact CH2-CB 3.97Å; W262-D275 HydrophobicContact CZ3-CB 3.75Å; W262-Y317 WeakPolarHBondContact CH2-OH 3.39Å
263R91.6Very high75.8Confident123 Ų123107 Ų10746%0.46449%0.487SS..EExtended strand (participates in β ladder)trans-126.7137.6167.3-175.2170.7-177.7171.53.5109.4F265 V274 M276R263-F265 HydrophobicContact CB-CE2 4.08Å; R263-F265 HydrophobicContact CG-CD2 4.32Å; R263-F265 HydrophobicContact CG-CE2 3.82Å; R263-F265 HydrophobicContact CG-CZ 4.1Å; R263-V274 PolarHBondContact N-O 3.44Å; R263-V274 PolarHBondContact O-N 3.35Å; R263-M276 HydrophobicContact CB-CG 3.46Å; R263-M276 VanDerWaalsContact CB-CG 3.46Å; R263-M276 HydrophobicContact CB-SD 3.77Å; R263-M276 HydrophobicContact CG-SD 4.49Å
264I91Very high77.6Confident83 Ų83102.2 Ų102.243%0.42646%0.458SS..EExtended strand (participates in β ladder)trans-92130174.4-59171.9000108.2R266 D271 R273I264-R266 HydrophobicContact CG2-CG 3.98Å; I264-D271 HydrophobicContact CG2-CB 3.91Å; I264-R273 HydrophobicContact CG1-CG 4.09Å
265F90.6Very high79.2Confident8 Ų898.1 Ų98.14%0.03544%0.439CS..EExtended strand (participates in β ladder)trans-115.5134.7168.1-68.4-89.1000108.5R263 F267 H272 V274 M276 Y325 L332R263-F265 HydrophobicContact CB-CE2 4.08Å; R263-F265 HydrophobicContact CG-CD2 4.32Å; R263-F265 HydrophobicContact CG-CE2 3.82Å; R263-F265 HydrophobicContact CG-CZ 4.1Å; F265-F267 HydrophobicContact CB-CD1 4Å; F265-F267 HydrophobicContact CB-CE1 4.12Å; F265-H272 PolarHBondContact N-O 3.37Å; F265-H272 PolarHBondContact O-N 3.21Å; F265-V274 HydrophobicContact CD2-CB 4.01Å; F265-V274 HydrophobicContact CD2-CG2 3.64Å; F265-V274 HydrophobicContact CE2-CB 4.03Å; F265-V274 HydrophobicContact CE2-CG1 4.35Å; F265-V274 HydrophobicContact CE2-CG2 4.07Å; F265-M276 HydrophobicContact CE2-SD 4.08Å; F265-M276 HydrophobicContact CZ-SD 4.38Å; F265-Y325 HydrophobicContact CE2-CD2 4.04Å; F265-Y325 AromaticContact CZ-CD2 3.6Å; F265-Y325 HydrophobicContact CZ-CD2 3.6Å; F265-Y325 HydrophobicContact CZ-CE2 4.09Å; F265-L332 HydrophobicContact CD1-CD1 4.48Å; F265-L332 HydrophobicContact CE1-CD1 4.29Å
266R86.2Confident80.7Confident179 Ų17992.8 Ų92.868%0.67541%0.414SS*.EExtended strand (participates in β ladder)trans-115.677.4-168.3-54-177.168.7-168.1-5.4109.6I264 D271I264-R266 HydrophobicContact CG2-CG 3.98Å; R266-D271 VanDerWaalsContact CG-OD1 3.31Å; R266-D271 WeakPolarHBondContact CG-OD1 3.43Å; R266-D271 IonicContact CZ-OD1 3.08Å; R266-D271 IonicContact NE-OD1 2.93Å; R266-D271 PolarHBondContact NE-OD1 3.21Å; R266-D271 IonicContact NE-OD2 3.27Å; R266-D271 IonicContact NH2-OD1 2.7Å
267F83.9Confident82.2Confident12 Ų1288.8 Ų88.85%0.05340%0.403CS..EExtended strand (participates in β ladder)trans-108.8129.2-177.254-95000112.8F265 Q270 H272 K324 I327 E331F265-F267 HydrophobicContact CB-CD1 4Å; F265-F267 HydrophobicContact CB-CE1 4.12Å; F267-Q270 PolarHBondContact N-O 2.87Å; F267-H272 HydrophobicContact CD1-CB 4.37Å; F267-H272 AromaticContact CD1-ND1 3.9Å; F267-H272 AromaticContact CD2-CE1 3.58Å; F267-H272 AromaticContact CD2-ND1 3.77Å; F267-H272 HydrophobicContact CE1-CB 3.62Å; F267-H272 AromaticContact CE1-CG 3.54Å; F267-H272 AromaticContact CE1-ND1 3.65Å; F267-H272 AromaticContact CE2-CD2 3.78Å; F267-H272 AromaticContact CE2-CE1 3.22Å; F267-H272 WeakPolarHBondContact CE2-CE1 3.42Å; F267-H272 AromaticContact CE2-CG 3.83Å; F267-H272 AromaticContact CE2-ND1 3.51Å; F267-H272 AromaticContact CE2-NE2 3.41Å; F267-H272 WeakPolarHBondContact CE2-NE2 3.49Å; F267-H272 AromaticContact CG-ND1 3.97Å; F267-H272 HydrophobicContact CZ-CB 3.86Å; F267-H272 AromaticContact CZ-CD2 3.42Å; F267-H272 VanDerWaalsContact CZ-CD2 3.42Å; F267-H272 WeakPolarHBondContact CZ-CD2 3.44Å; F267-H272 AromaticContact CZ-CE1 3.59Å; F267-H272 AromaticContact CZ-CG 3.32Å; F267-H272 AromaticContact CZ-ND1 3.45Å; F267-H272 WeakPolarHBondContact CZ-ND1 3.37Å; F267-H272 AromaticContact CZ-NE2 3.59Å; F267-K324 HydrophobicContact CE1-CB 4.37Å; F267-K324 HydrophobicContact CZ-CB 4.28Å; F267-K324 HydrophobicContact CZ-CG 4.21Å; F267-I327 HydrophobicContact CB-CG2 4.28Å; F267-I327 HydrophobicContact CD1-CG2 4.11Å; F267-I327 HydrophobicContact CD2-CG2 3.64Å; F267-I327 HydrophobicContact CE1-CB 4.34Å; F267-I327 HydrophobicContact CE1-CG2 4.26Å; F267-I327 HydrophobicContact CE2-CB 4.35Å; F267-I327 HydrophobicContact CE2-CG2 3.8Å; F267-I327 HydrophobicContact CG-CG2 3.79Å; F267-I327 HydrophobicContact CZ-CB 4.21Å; F267-I327 HydrophobicContact CZ-CG2 4.1Å; F267-E331 WeakPolarHBondContact CA-OE2 3.42Å; F267-E331 WeakPolarHBondContact CB-OE2 3.4Å
268G78.3Confident84.1Confident41 Ų4183.8 Ų83.842%0.42338%0.384SS..THydrogen-bonded Turntrans61.2-144.4-161.700000110.8Q270G268-Q270 VanDerWaalsContact C-N 3.3Å; G268-Q270 PolarHBondContact O-N 3.02Å
269D77.4Confident86.1Confident164 Ų16478.5 Ų78.588%0.87736%0.359SS*.THydrogen-bonded Turntrans-92.523.4-179.1-53-51.1000113.2
270Q85.5Confident87.8Confident133 Ų13382.3 Ų82.362%0.62137%0.371SS*.EExtended strand (participates in β ladder)trans-135.1127.9-170.3-66.6-65.5-62.600113.1F267 G268 H272F267-Q270 PolarHBondContact N-O 2.87Å; G268-Q270 VanDerWaalsContact C-N 3.3Å; G268-Q270 PolarHBondContact O-N 3.02Å; Q270-H272 PolarHBondContact O-N 3.07Å; Q270-H272 PolarHBondContact O-ND1 2.94Å
271D90.4Very high89.2Confident92 Ų9280.4 Ų80.449%0.49238%0.375SS..EExtended strand (participates in β ladder)trans-83.6107.6176.6-85.125.9000110.6I264 R266I264-D271 HydrophobicContact CG2-CB 3.91Å; R266-D271 VanDerWaalsContact CG-OD1 3.31Å; R266-D271 WeakPolarHBondContact CG-OD1 3.43Å; R266-D271 IonicContact CZ-OD1 3.08Å; R266-D271 IonicContact NE-OD1 2.93Å; R266-D271 PolarHBondContact NE-OD1 3.21Å; R266-D271 IonicContact NE-OD2 3.27Å; R266-D271 IonicContact NH2-OD1 2.7Å
272H90.4Very high89.7Confident44 Ų4473.6 Ų73.620%0.20435%0.35CS..EExtended strand (participates in β ladder)trans-96.9109.3-177.2-68.280.8000111.3F265 F267 Q270 K324F265-H272 PolarHBondContact N-O 3.37Å; F265-H272 PolarHBondContact O-N 3.21Å; F267-H272 HydrophobicContact CD1-CB 4.37Å; F267-H272 AromaticContact CD1-ND1 3.9Å; F267-H272 AromaticContact CD2-CE1 3.58Å; F267-H272 AromaticContact CD2-ND1 3.77Å; F267-H272 HydrophobicContact CE1-CB 3.62Å; F267-H272 AromaticContact CE1-CG 3.54Å; F267-H272 AromaticContact CE1-ND1 3.65Å; F267-H272 AromaticContact CE2-CD2 3.78Å; F267-H272 AromaticContact CE2-CE1 3.22Å; F267-H272 WeakPolarHBondContact CE2-CE1 3.42Å; F267-H272 AromaticContact CE2-CG 3.83Å; F267-H272 AromaticContact CE2-ND1 3.51Å; F267-H272 AromaticContact CE2-NE2 3.41Å; F267-H272 WeakPolarHBondContact CE2-NE2 3.49Å; F267-H272 AromaticContact CG-ND1 3.97Å; F267-H272 HydrophobicContact CZ-CB 3.86Å; F267-H272 AromaticContact CZ-CD2 3.42Å; F267-H272 VanDerWaalsContact CZ-CD2 3.42Å; F267-H272 WeakPolarHBondContact CZ-CD2 3.44Å; F267-H272 AromaticContact CZ-CE1 3.59Å; F267-H272 AromaticContact CZ-CG 3.32Å; F267-H272 AromaticContact CZ-ND1 3.45Å; F267-H272 WeakPolarHBondContact CZ-ND1 3.37Å; F267-H272 AromaticContact CZ-NE2 3.59Å; Q270-H272 PolarHBondContact O-N 3.07Å; Q270-H272 PolarHBondContact O-ND1 2.94Å; H272-K324 HydrophobicContact CB-CD 4.45Å
273R92.6Very high89.8Confident161 Ų16170.4 Ų70.461%0.60834%0.339SS*.EExtended strand (participates in β ladder)trans-71.7134.1168.8-69.3-176.3-178-137.41.7111.1W262 I264W262-R273 HydrophobicContact CE3-CB 4.01Å; W262-R273 HydrophobicContact CZ3-CB 4.38Å; I264-R273 HydrophobicContact CG1-CG 4.09Å
274V94.3Very high89.9Confident0 Ų071.6 Ų71.60%035%0.347CS..EExtended strand (participates in β ladder)trans-132.6127.5-178.9177.70000110.5W262 R263 F265 M276 I279 N321 K324W262-V274 CarbonylContact C-O 3.6Å; W262-V274 WeakPolarHBondContact CA-O 3.28Å; W262-V274 VanDerWaalsContact CE3-C 3.43Å; R263-V274 PolarHBondContact N-O 3.44Å; R263-V274 PolarHBondContact O-N 3.35Å; F265-V274 HydrophobicContact CD2-CB 4.01Å; F265-V274 HydrophobicContact CD2-CG2 3.64Å; F265-V274 HydrophobicContact CE2-CB 4.03Å; F265-V274 HydrophobicContact CE2-CG1 4.35Å; F265-V274 HydrophobicContact CE2-CG2 4.07Å; V274-M276 HydrophobicContact CG1-SD 4.18Å; V274-M276 PolarHBondContact O-N 3.45Å; V274-I279 HydrophobicContact CG1-CD1 3.75Å; V274-N321 WeakPolarHBondContact CA-OD1 3.38Å; V274-N321 HydrophobicContact CG1-CB 4.26Å; V274-N321 WeakPolarHBondContact CG1-O 3.31Å; V274-K324 HydrophobicContact CG2-CB 3.39Å; V274-K324 HydrophobicContact CG2-CD 4.08Å; V274-K324 HydrophobicContact CG2-CG 4.39Å
275D93.6Very high90Very high7 Ų767.7 Ų67.74%0.03733%0.327CS..EExtended strand (participates in β ladder)trans-77.4102.6175.1-179.2-17.5000110.2W262 K277 A278 I279 Y317 N321W262-D275 HydrophobicContact CE3-CB 4.1Å; W262-D275 HydrophobicContact CH2-CB 3.97Å; W262-D275 HydrophobicContact CZ3-CB 3.75Å; D275-K277 VanDerWaalsContact C-N 3.26Å; D275-K277 PolarHBondContact O-N 3.34Å; D275-K277 PolarHBondContact OD1-N 3.12Å; D275-A278 HydrophobicContact CB-CB 4.05Å; D275-A278 VanDerWaalsContact CG-CB 3.49Å; D275-A278 PolarHBondContact OD1-N 2.62Å; D275-A278 WeakPolarHBondContact OD2-CB 3.38Å; D275-I279 WeakPolarHBondContact O-CG1 3.45Å; D275-I279 PolarHBondContact O-N 3.15Å; D275-Y317 HydrophobicContact CB-CE1 4.41Å; D275-Y317 VanDerWaalsContact CB-OH 3.29Å; D275-Y317 WeakPolarHBondContact CB-OH 3.35Å; D275-Y317 PolarHBondContact OD2-OH 3.49Å; D275-N321 PolarHBondContact N-OD1 3.14Å
276M92.5Very high90.1Very high18 Ų1867.9 Ų67.99%0.08933%0.328CS..THydrogen-bonded Turntrans-74.8-11.5-176-59-69.4-7200113.8R261 R263 F265 V274 I279 K283 Y325R261-M276 HydrophobicContact CB-CB 4.31Å; R261-M276 HydrophobicContact CG-CB 4.38Å; R261-M276 WeakPolarHBondContact O-CA 3.43Å; R261-M276 WeakPolarHBondContact O-CB 3.24Å; R261-M276 VanDerWaalsContact O-CG 3.25Å; R261-M276 WeakPolarHBondContact O-CG 3.46Å; R261-M276 PolarHBondContact O-N 3.15Å; R263-M276 HydrophobicContact CB-CG 3.46Å; R263-M276 VanDerWaalsContact CB-CG 3.46Å; R263-M276 HydrophobicContact CB-SD 3.77Å; R263-M276 HydrophobicContact CG-SD 4.49Å; F265-M276 HydrophobicContact CE2-SD 4.08Å; F265-M276 HydrophobicContact CZ-SD 4.38Å; V274-M276 HydrophobicContact CG1-SD 4.18Å; V274-M276 PolarHBondContact O-N 3.45Å; M276-I279 HydrophobicContact SD-CD1 4Å; M276-K283 WeakPolarHBondContact O-CE 3.49Å; M276-K283 PolarHBondContact O-NZ 2.89Å; M276-Y325 HydrophobicContact CE-CD2 4.09Å; M276-Y325 HydrophobicContact CE-CE2 3.85Å; M276-Y325 HydrophobicContact SD-CD2 4.06Å; M276-Y325 HydrophobicContact SD-CE2 4.43Å
277K90.9Very high90.4Very high124 Ų12461.1 Ų61.154%0.53931%0.309SS..THydrogen-bonded Turntrans-84.9-47.3173.5-177.7174.5-178.9174.80110.2G259 D275 I279 E280G259-K277 WeakPolarHBondContact O-CD 3.37Å; G259-K277 PolarHBondContact O-NZ 2.94Å; D275-K277 VanDerWaalsContact C-N 3.26Å; D275-K277 PolarHBondContact O-N 3.34Å; D275-K277 PolarHBondContact OD1-N 3.12Å; K277-I279 PolarHBondContact O-N 3.49Å; K277-E280 VanDerWaalsContact O-CB 3.24Å; K277-E280 WeakPolarHBondContact O-CB 3.41Å; K277-E280 PolarHBondContact O-N 3.14Å
278A91.8Very high90.8Very high26 Ų2663.7 Ų63.722%0.21532%0.321CS..THydrogen-bonded Turntrans-57.9-33.9179.200000113.4D275 Y317D275-A278 HydrophobicContact CB-CB 4.05Å; D275-A278 VanDerWaalsContact CG-CB 3.49Å; D275-A278 PolarHBondContact OD1-N 2.62Å; D275-A278 WeakPolarHBondContact OD2-CB 3.38Å; A278-Y317 HydrophobicContact CB-CD1 4.36Å; A278-Y317 HydrophobicContact CB-CE1 3.71Å
279I93.9Very high91.4Very high0 Ų061.8 Ų61.80%030%0.301CS..THydrogen-bonded Turntrans-92.8-1.6178.371175.4000114.2V274 D275 M276 K277 Y282 K283 N321 L322 Y325V274-I279 HydrophobicContact CG1-CD1 3.75Å; D275-I279 WeakPolarHBondContact O-CG1 3.45Å; D275-I279 PolarHBondContact O-N 3.15Å; M276-I279 HydrophobicContact SD-CD1 4Å; K277-I279 PolarHBondContact O-N 3.49Å; I279-Y282 CarbonylContact O-C 3.55Å; I279-Y282 WeakPolarHBondContact O-CA 3.3Å; I279-Y282 PolarHBondContact O-N 3.41Å; I279-K283 HydrophobicContact CG1-CG 4.27Å; I279-K283 PolarHBondContact O-N 3.22Å; I279-K283 VanDerWaalsContact O-N 3.08Å; I279-N321 HydrophobicContact CG2-CB 3.52Å; I279-L322 HydrophobicContact CB-CD1 4.27Å; I279-L322 HydrophobicContact CG2-CB 4.17Å; I279-Y325 VanDerWaalsContact CD1-CB 3.43Å; I279-Y325 HydrophobicContact CD1-CD1 4.07Å; I279-Y325 HydrophobicContact CD1-CD2 3.76Å; I279-Y325 HydrophobicContact CD1-CG 3.47Å; I279-Y325 VanDerWaalsContact CD1-CG 3.47Å
280E92.4Very high91.9Very high101 Ų10154.2 Ų54.247%0.47226%0.262SS..G310 helixtrans-52.6-46.7-171.4179.3144.9-105.300115.2K277 Y282 K283K277-E280 VanDerWaalsContact O-CB 3.24Å; K277-E280 WeakPolarHBondContact O-CB 3.41Å; K277-E280 PolarHBondContact O-N 3.14Å; E280-Y282 PolarHBondContact O-N 3.04Å; E280-Y282 VanDerWaalsContact O-N 3.14Å; E280-K283 PolarHBondContact O-N 2.8Å; E280-K283 IonicContact OE1-NZ 2.8Å; E280-K283 PolarHBondContact OE1-NZ 3.17Å
281P93Very high92.1Very high88 Ų8854.5 Ų54.557%0.57126%0.258SS*.G310 helixtrans-62.3-23.1176.7-21.534.5000113.3
282Y93.8Very high91.7Very high33 Ų3354.1 Ų54.113%0.12925%0.25CS..G310 helixtrans-104.7-5.2-168.8-50.8-56.3000113.7I279 E280 K284 V285 F306 P308 Q312 I318I279-Y282 CarbonylContact O-C 3.55Å; I279-Y282 WeakPolarHBondContact O-CA 3.3Å; I279-Y282 PolarHBondContact O-N 3.41Å; E280-Y282 PolarHBondContact O-N 3.04Å; E280-Y282 VanDerWaalsContact O-N 3.14Å; Y282-K284 PolarHBondContact O-N 3.41Å; Y282-V285 VanDerWaalsContact O-CB 3.25Å; Y282-V285 WeakPolarHBondContact O-CB 3.39Å; Y282-V285 VanDerWaalsContact O-CG1 3.28Å; Y282-V285 WeakPolarHBondContact O-CG1 3.34Å; Y282-V285 PolarHBondContact O-N 3.18Å; Y282-F306 VanDerWaalsContact CD1-O 3.28Å; Y282-F306 WeakPolarHBondContact CD1-O 3.32Å; Y282-P308 HydrophobicContact CD1-CB 4.35Å; Y282-P308 HydrophobicContact CD2-CB 4.35Å; Y282-P308 HydrophobicContact CE1-CB 3.96Å; Y282-P308 HydrophobicContact CE2-CB 3.96Å; Y282-Q312 VanDerWaalsContact OH-CD 3.23Å; Y282-Q312 PolarHBondContact OH-NE2 2.99Å; Y282-Q312 PolarHBondContact OH-OE1 2.78Å; Y282-I318 HydrophobicContact CD2-CG2 3.59Å; Y282-I318 HydrophobicContact CE2-CG2 3.65Å
283K92.2Very high91.3Very high41 Ų4155.2 Ų55.218%0.17827%0.273CS..G310 helixtrans-53.3-30.8177.7-71.5168.7-172.2157.70113M276 I279 E280 V285 I286 Y325M276-K283 WeakPolarHBondContact O-CE 3.49Å; M276-K283 PolarHBondContact O-NZ 2.89Å; I279-K283 HydrophobicContact CG1-CG 4.27Å; I279-K283 PolarHBondContact O-N 3.22Å; I279-K283 VanDerWaalsContact O-N 3.08Å; E280-K283 PolarHBondContact O-N 2.8Å; E280-K283 IonicContact OE1-NZ 2.8Å; E280-K283 PolarHBondContact OE1-NZ 3.17Å; K283-V285 PolarHBondContact O-N 2.81Å; K283-I286 PolarHBondContact O-N 2.89Å; K283-Y325 HydrophobicContact CB-CE1 4.22Å; K283-Y325 HydrophobicContact CG-CE1 4.19Å
284K92.3Very high90.6Very high149 Ų14952.9 Ų52.965%0.64827%0.273SS*.G310 helixtrans-66.1-8.1176.3-63.3-176.6-177.91790114.3Y282 I286 F306Y282-K284 PolarHBondContact O-N 3.41Å; K284-I286 PolarHBondContact O-N 3.09Å; K284-F306 HydrophobicContact CB-CB 4.46Å; K284-F306 HydrophobicContact CB-CD2 3.82Å; K284-F306 HydrophobicContact CB-CE2 4.12Å; K284-F306 HydrophobicContact CB-CG 4.08Å; K284-F306 VanDerWaalsContact O-CD2 3.22Å; K284-F306 WeakPolarHBondContact O-CD2 3.22Å
285V93.4Very high89.8Confident0 Ų054.6 Ų54.60%029%0.291CS..G310 helixtrans-59.7-28.3174.377.40000112.3Y282 K283 F302 A303 F306 M307 L322 V326Y282-V285 VanDerWaalsContact O-CB 3.25Å; Y282-V285 WeakPolarHBondContact O-CB 3.39Å; Y282-V285 VanDerWaalsContact O-CG1 3.28Å; Y282-V285 WeakPolarHBondContact O-CG1 3.34Å; Y282-V285 PolarHBondContact O-N 3.18Å; K283-V285 PolarHBondContact O-N 2.81Å; V285-F302 HydrophobicContact CG1-CE2 4.22Å; V285-F302 HydrophobicContact CG2-CD2 4.25Å; V285-F302 HydrophobicContact CG2-CE1 4.01Å; V285-F302 HydrophobicContact CG2-CE2 3.67Å; V285-F302 HydrophobicContact CG2-CZ 3.54Å; V285-F302 CarbonylContact O-C 3.59Å; V285-F302 VanDerWaalsContact O-CA 3.28Å; V285-F302 WeakPolarHBondContact O-CA 3.45Å; V285-A303 PolarHBondContact O-N 3.04Å; V285-F306 HydrophobicContact CB-CB 4.47Å; V285-M307 HydrophobicContact CG2-CG 3.69Å; V285-M307 HydrophobicContact CG2-SD 4.06Å; V285-L322 HydrophobicContact CG1-CD1 3.78Å; V285-L322 HydrophobicContact CG1-CD2 4.27Å; V285-L322 HydrophobicContact CG1-CG 4.17Å; V285-V326 HydrophobicContact CG1-CG2 3.85Å
286I94Very high89.2Confident13 Ų1359.3 Ų59.37%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-122133.4176.7-177.7162.4000109.7K283 K284 I300 V301 Y325 V326 T329 L330K283-I286 PolarHBondContact O-N 2.89Å; K284-I286 PolarHBondContact O-N 3.09Å; I286-I300 HydrophobicContact CD1-CG2 3.72Å; I286-I300 HydrophobicContact CG1-CG2 3.78Å; I286-V301 WeakPolarHBondContact CA-O 3.37Å; I286-Y325 HydrophobicContact CG2-CD1 4.19Å; I286-Y325 HydrophobicContact CG2-CE1 3.63Å; I286-V326 HydrophobicContact CB-CG2 4.36Å; I286-V326 HydrophobicContact CD1-CG1 4.17Å; I286-V326 HydrophobicContact CG2-CG2 4.1Å; I286-T329 HydrophobicContact CD1-CG2 3.99Å; I286-T329 HydrophobicContact CG1-CG2 4.38Å; I286-T329 HydrophobicContact CG2-CG2 4.46Å; I286-L330 HydrophobicContact CD1-CD2 4.01Å; I286-L330 HydrophobicContact CD1-CG 4.24Å
287S92.7Very high89Confident37 Ų3759.4 Ų59.426%0.25932%0.316SS..EExtended strand (participates in β ladder)trans-143.2155.6173.656.20000111.4V301S287-V301 PolarHBondContact N-O 3.36Å; S287-V301 PolarHBondContact O-N 2.68Å
288H91.8Very high89Confident66 Ų6653.7 Ų53.731%0.30629%0.292SS..EExtended strand (participates in β ladder)trans-83.7122.2173.6-174.9-109.3000109.3G290 Y291H288-G290 VanDerWaalsContact CE1-C 3.49Å; H288-G290 PolarHBondContact CE1-O 3.43Å; H288-G290 PolarHBondContact ND1-N 2.9Å; H288-G290 PolarHBondContact NE2-O 3.25Å; H288-Y291 AromaticContact CE1-CD2 3.93Å; H288-Y291 AromaticContact CE1-CE1 3.95Å; H288-Y291 AromaticContact CE1-CE2 3.58Å; H288-Y291 AromaticContact CE1-CZ 3.59Å; H288-Y291 AromaticContact NE2-CE1 3.7Å; H288-Y291 AromaticContact NE2-CZ 3.78Å
289G89.9Confident89Confident1 Ų152.4 Ų52.41%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-93.816.7-177.700000114.3I299 V422G289-I299 PolarHBondContact N-O 3.12Å; G289-V422 WeakPolarHBondContact O-CG2 3.36Å
290G88.9Confident89Confident5 Ų552.5 Ų52.55%0.05228%0.282CS..EExtended strand (participates in β ladder)trans89.9-167.7-172.100000112.8H288 I299H288-G290 VanDerWaalsContact CE1-C 3.49Å; H288-G290 PolarHBondContact CE1-O 3.43Å; H288-G290 PolarHBondContact ND1-N 2.9Å; H288-G290 PolarHBondContact NE2-O 3.25Å; G290-I299 WeakPolarHBondContact O-CB 3.32Å; G290-I299 PolarHBondContact O-N 3.13Å
291Y88.4Confident89.1Confident139 Ų13947.7 Ų47.755%0.54526%0.26SS..EExtended strand (participates in β ladder)trans-112.5154.3179.9-59-83.9000111.1H288 G295 N297 A298H288-Y291 AromaticContact CE1-CD2 3.93Å; H288-Y291 AromaticContact CE1-CE1 3.95Å; H288-Y291 AromaticContact CE1-CE2 3.58Å; H288-Y291 AromaticContact CE1-CZ 3.59Å; H288-Y291 AromaticContact NE2-CE1 3.7Å; H288-Y291 AromaticContact NE2-CZ 3.78Å; Y291-G295 WeakPolarHBondContact CB-O 3.47Å; Y291-G295 VanDerWaalsContact CD1-O 3.24Å; Y291-G295 WeakPolarHBondContact CD1-O 3.42Å; Y291-N297 CarbonylContact C-O 3.6Å; Y291-N297 WeakPolarHBondContact CA-O 3.21Å; Y291-A298 HydrophobicContact CD1-CB 4.42Å; Y291-A298 HydrophobicContact CE1-CB 4.43Å
292Y83.4Confident89.2Confident83 Ų8345.2 Ų45.233%0.32524%0.24SC..EExtended strand (participates in β ladder)trans-113.7143.3-180172.8-87.3000111.3D294 G295 N297 M339Y292-D294 PolarHBondContact O-N 2.97Å; Y292-G295 PolarHBondContact O-N 3.19Å; Y292-N297 PolarHBondContact N-O 2.74Å; Y292-M339 HydrophobicContact CD1-SD 4.41Å; Y292-M339 HydrophobicContact CD2-SD 4.34Å; Y292-M339 HydrophobicContact CG-SD 4.2Å
293G81.4Confident89.2Confident67 Ų6743.7 Ų43.769%0.69124%0.235SC*.THydrogen-bonded Turntrans74.4-117.9172.300000112.7G295G293-G295 PolarHBondContact O-N 2.91Å
294D78.4Confident89.2Confident113 Ų11341.8 Ų41.860%0.60423%0.226SC*.THydrogen-bonded Turntrans-74.40.3177.653.38.7000114.4Y292 L296 N297Y292-D294 PolarHBondContact O-N 2.97Å; D294-L296 VanDerWaalsContact C-N 3.34Å; D294-L296 WeakPolarHBondContact OD1-CB 3.47Å; D294-L296 PolarHBondContact OD1-N 2.72Å; D294-N297 PolarHBondContact OD1-ND2 2.89Å
295G77.6Confident89.1Confident36 Ų3635.3 Ų35.337%0.37120%0.2SC..THydrogen-bonded Turntrans87.5-4.2-176.900000114.4Y291 Y292 G293Y291-G295 WeakPolarHBondContact CB-O 3.47Å; Y291-G295 VanDerWaalsContact CD1-O 3.24Å; Y291-G295 WeakPolarHBondContact CD1-O 3.42Å; Y292-G295 PolarHBondContact O-N 3.19Å; G293-G295 PolarHBondContact O-N 2.91Å
296L80.3Confident89.1Confident105 Ų10538.8 Ų38.855%0.5522%0.215SC..THydrogen-bonded Turntrans-85.2-18.6-179.8-56.7-179.7000113D294D294-L296 VanDerWaalsContact C-N 3.34Å; D294-L296 WeakPolarHBondContact OD1-CB 3.47Å; D294-L296 PolarHBondContact OD1-N 2.72Å
297N87.8Confident89Confident20 Ų2038.8 Ų38.811%0.10722%0.215CC..EExtended strand (participates in β ladder)trans-102.9110.5-170.2-61-95.9000111.1Y291 Y292 D294 N337Y291-N297 CarbonylContact C-O 3.6Å; Y291-N297 WeakPolarHBondContact CA-O 3.21Å; Y292-N297 PolarHBondContact N-O 2.74Å; D294-N297 PolarHBondContact OD1-ND2 2.89Å; N297-N337 VanDerWaalsContact CA-O 3.3Å; N297-N337 WeakPolarHBondContact CA-O 3.4Å; N297-N337 WeakPolarHBondContact OD1-CB 3.06Å; N297-N337 PolarHBondContact OD1-O 2.9Å
298A91.1Very high89Confident4 Ų437 Ų373%0.03320%0.203CC..EExtended strand (participates in β ladder)trans-70.6140.7-178.200000113.1Y291 I300 Y338 M339Y291-A298 HydrophobicContact CD1-CB 4.42Å; Y291-A298 HydrophobicContact CE1-CB 4.43Å; A298-I300 HydrophobicContact CB-CG1 4.48Å; A298-Y338 CarbonylContact O-C 3.6Å; A298-Y338 VanDerWaalsContact O-CA 3.28Å; A298-Y338 WeakPolarHBondContact O-CA 3.27Å; A298-Y338 WeakPolarHBondContact O-CB 3.41Å; A298-M339 PolarHBondContact O-N 3.28Å
299I92.7Very high88.9Confident0 Ų037.7 Ų37.70%021%0.206CC..EExtended strand (participates in β ladder)trans-100127.7167.4-58.1157.4000107.5G289 G290 V341 V417 P418G289-I299 PolarHBondContact N-O 3.12Å; G290-I299 WeakPolarHBondContact O-CB 3.32Å; G290-I299 PolarHBondContact O-N 3.13Å; I299-V341 HydrophobicContact CG2-CG2 4.16Å; I299-V417 HydrophobicContact CD1-CG1 3.69Å; I299-V417 HydrophobicContact CG1-CG1 4.19Å; I299-V417 HydrophobicContact CG2-CG1 3.85Å; I299-P418 HydrophobicContact CD1-CG 3.76Å
300I94.1Very high88.8Confident2 Ų240.7 Ų40.71%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-122.3120.6-177.3-52-175.8000108.9I286 A298 L330 L333 V334 Y338 M339 I340 V341I286-I300 HydrophobicContact CD1-CG2 3.72Å; I286-I300 HydrophobicContact CG1-CG2 3.78Å; A298-I300 HydrophobicContact CB-CG1 4.48Å; I300-L330 HydrophobicContact CB-CD2 4.39Å; I300-L330 HydrophobicContact CD1-CD2 3.45Å; I300-L330 VanDerWaalsContact CD1-CD2 3.45Å; I300-L330 HydrophobicContact CG1-CD2 4.49Å; I300-L330 HydrophobicContact CG2-CD2 3.82Å; I300-L333 HydrophobicContact CD1-CB 3.95Å; I300-L333 HydrophobicContact CD1-CD1 4Å; I300-L333 HydrophobicContact CG1-CD1 4.28Å; I300-V334 HydrophobicContact CD1-CG2 4.17Å; I300-Y338 HydrophobicContact CD1-CD2 3.68Å; I300-Y338 HydrophobicContact CD1-CE2 4.16Å; I300-Y338 HydrophobicContact CD1-CG 4.46Å; I300-Y338 HydrophobicContact CG1-CD2 4.27Å; I300-M339 PolarHBondContact N-O 3.36Å; I300-I340 CarbonylContact O-C 3.6Å; I300-I340 VanDerWaalsContact O-CA 3.29Å; I300-I340 WeakPolarHBondContact O-CA 3.06Å; I300-V341 PolarHBondContact O-N 2.77Å
301V94.6Very high88.6Confident0 Ų044 Ų440%026%0.261CS..EExtended strand (participates in β ladder)trans-99.3123.9-176.9-175.30000108.6I286 S287 V341 L343 V422I286-V301 WeakPolarHBondContact CA-O 3.37Å; S287-V301 PolarHBondContact N-O 3.36Å; S287-V301 PolarHBondContact O-N 2.68Å; V301-V341 WeakPolarHBondContact CA-O 3.14Å; V301-L343 HydrophobicContact CG1-CD1 3.54Å; V301-L343 HydrophobicContact CG1-CG 4.01Å; V301-V422 HydrophobicContact CG2-CG1 3.94Å
302F94.8Very high88.6Confident35 Ų3540.8 Ų40.815%0.15425%0.251CS..EExtended strand (participates in β ladder)trans-111107.6175.9-169-91.2000110V285 V304 M307 V326 I340 V341 Y342 L343V285-F302 HydrophobicContact CG1-CE2 4.22Å; V285-F302 HydrophobicContact CG2-CD2 4.25Å; V285-F302 HydrophobicContact CG2-CE1 4.01Å; V285-F302 HydrophobicContact CG2-CE2 3.67Å; V285-F302 HydrophobicContact CG2-CZ 3.54Å; V285-F302 CarbonylContact O-C 3.59Å; V285-F302 VanDerWaalsContact O-CA 3.28Å; V285-F302 WeakPolarHBondContact O-CA 3.45Å; F302-V304 HydrophobicContact CD1-CG2 4.03Å; F302-V304 HydrophobicContact CE1-CG2 4.08Å; F302-M307 HydrophobicContact CE1-SD 4.33Å; F302-M307 HydrophobicContact CZ-SD 3.88Å; F302-V326 HydrophobicContact CD2-CG1 4.47Å; F302-V326 HydrophobicContact CE2-CG1 4.17Å; F302-V326 HydrophobicContact CE2-CG2 4.04Å; F302-I340 HydrophobicContact CB-CG2 4.42Å; F302-V341 PolarHBondContact N-O 2.91Å; F302-Y342 HydrophobicContact CB-CD2 4.29Å; F302-Y342 AromaticContact CD1-CD2 3.49Å; F302-Y342 HydrophobicContact CD1-CD2 3.49Å; F302-Y342 VanDerWaalsContact CD1-CD2 3.49Å; F302-Y342 AromaticContact CD1-CE2 3.45Å; F302-Y342 HydrophobicContact CD1-CE2 3.45Å; F302-Y342 VanDerWaalsContact CD1-CE2 3.45Å; F302-Y342 HydrophobicContact CD1-CG 4.47Å; F302-Y342 HydrophobicContact CE1-CD2 4.21Å; F302-Y342 AromaticContact CE1-CE2 3.7Å; F302-Y342 HydrophobicContact CE1-CE2 3.7Å; F302-Y342 HydrophobicContact CG-CD2 4.2Å; F302-Y342 HydrophobicContact CG-CE2 4.5Å; F302-L343 PolarHBondContact O-N 2.86Å
303A93.9Very high88.8Confident2 Ų242 Ų422%0.01727%0.268CS..EExtended strand (participates in β ladder)trans-103.995.6-171.900000111.8V285 C305 F306 P425V285-A303 PolarHBondContact O-N 3.04Å; A303-C305 PolarHBondContact O-N 2.86Å; A303-C305 VanDerWaalsContact O-N 3.14Å; A303-F306 HydrophobicContact CB-CD2 3.69Å; A303-F306 HydrophobicContact CB-CE2 3.96Å; A303-F306 PolarHBondContact O-N 2.82Å; A303-F306 VanDerWaalsContact O-N 3.11Å; A303-P425 HydrophobicContact CB-CG 3.94Å
304V92.3Very high89.2Confident0 Ų044.6 Ų44.60%027%0.266CS..G310 helixtrans-66.9-19.6-171.9-156.40000113F302 F306 M307 Y342 L343 T347 M352F302-V304 HydrophobicContact CD1-CG2 4.03Å; F302-V304 HydrophobicContact CE1-CG2 4.08Å; V304-F306 PolarHBondContact O-N 3.28Å; V304-F306 VanDerWaalsContact O-N 3.13Å; V304-M307 HydrophobicContact CG1-CB 4.36Å; V304-M307 HydrophobicContact CG1-CE 4.41Å; V304-M307 HydrophobicContact CG1-CG 3.8Å; V304-M307 WeakPolarHBondContact O-CB 3.39Å; V304-M307 PolarHBondContact O-N 2.9Å; V304-Y342 HydrophobicContact CG2-CD1 4.12Å; V304-Y342 HydrophobicContact CG2-CD2 4.41Å; V304-Y342 HydrophobicContact CG2-CE1 3.44Å; V304-Y342 VanDerWaalsContact CG2-CE1 3.44Å; V304-Y342 HydrophobicContact CG2-CE2 3.8Å; V304-Y342 WeakPolarHBondContact CG2-OH 3.37Å; V304-L343 WeakPolarHBondContact CG2-O 3.37Å; V304-L343 PolarHBondContact N-O 3.08Å; V304-T347 HydrophobicContact CB-CG2 4.05Å; V304-T347 HydrophobicContact CG1-CG2 3.83Å; V304-M352 HydrophobicContact CB-CE 4.49Å; V304-M352 HydrophobicContact CG1-CE 3.71Å; V304-M352 HydrophobicContact CG1-SD 4.28Å
305C90.5Very high89.8Confident14 Ų1441.1 Ų41.110%0.09525%0.245CC..G310 helixtrans-57.9-25.5173.658.80000113.2A303 T347 K351A303-C305 PolarHBondContact O-N 2.86Å; A303-C305 VanDerWaalsContact O-N 3.14Å; C305-T347 PolarHBondContact N-OG1 2.81Å; C305-K351 PolarHBondContact O-NZ 3.34Å
306F91.9Very high90.5Very high73 Ų7348.5 Ų48.532%0.3226%0.262SS..G310 helixtrans-95.811.4176.4-52.5-54.7000114.1Y282 K284 V285 A303 V304 P425Y282-F306 VanDerWaalsContact CD1-O 3.28Å; Y282-F306 WeakPolarHBondContact CD1-O 3.32Å; K284-F306 HydrophobicContact CB-CB 4.46Å; K284-F306 HydrophobicContact CB-CD2 3.82Å; K284-F306 HydrophobicContact CB-CE2 4.12Å; K284-F306 HydrophobicContact CB-CG 4.08Å; K284-F306 VanDerWaalsContact O-CD2 3.22Å; K284-F306 WeakPolarHBondContact O-CD2 3.22Å; V285-F306 HydrophobicContact CB-CB 4.47Å; A303-F306 HydrophobicContact CB-CD2 3.69Å; A303-F306 HydrophobicContact CB-CE2 3.96Å; A303-F306 PolarHBondContact O-N 2.82Å; A303-F306 VanDerWaalsContact O-N 3.11Å; V304-F306 PolarHBondContact O-N 3.28Å; V304-F306 VanDerWaalsContact O-N 3.13Å; F306-P425 HydrophobicContact CD2-CG 4.46Å; F306-P425 HydrophobicContact CE2-CB 4.1Å; F306-P425 HydrophobicContact CE2-CG 3.51Å; F306-P425 HydrophobicContact CZ-CB 3.8Å; F306-P425 HydrophobicContact CZ-CG 3.75Å
307M92.3Very high91Very high12 Ų1247.6 Ų47.66%0.05925%0.252CS..SBendtrans-74.4149.7170.4-71.5-105.2-71.200111.3V285 F302 V304 M319 L322 K351 P353V285-M307 HydrophobicContact CG2-CG 3.69Å; V285-M307 HydrophobicContact CG2-SD 4.06Å; F302-M307 HydrophobicContact CE1-SD 4.33Å; F302-M307 HydrophobicContact CZ-SD 3.88Å; V304-M307 HydrophobicContact CG1-CB 4.36Å; V304-M307 HydrophobicContact CG1-CE 4.41Å; V304-M307 HydrophobicContact CG1-CG 3.8Å; V304-M307 WeakPolarHBondContact O-CB 3.39Å; V304-M307 PolarHBondContact O-N 2.9Å; M307-M319 HydrophobicContact CE-CE 3.51Å; M307-M319 HydrophobicContact CE-SD 4.2Å; M307-M319 HydrophobicContact SD-CE 4.09Å; M307-M319 HydrophobicContact SD-SD 4.29Å; M307-L322 HydrophobicContact SD-CD2 4.28Å; M307-K351 HydrophobicContact CB-CB 4.22Å; M307-K351 WeakPolarHBondContact CE-O 3.22Å; M307-K351 WeakPolarHBondContact O-CD 3.42Å; M307-K351 VanDerWaalsContact O-CE 3.24Å; M307-K351 WeakPolarHBondContact O-CE 3.33Å; M307-P353 HydrophobicContact CE-CG 4.18Å
308P92.1Very high91.3Very high1 Ų147.6 Ų47.61%0.00625%0.251CS..PPolyproline II helixtrans-62.9154.1172.528.6-36.2000111.2Y282 Y315 I318 M319 L322Y282-P308 HydrophobicContact CD1-CB 4.35Å; Y282-P308 HydrophobicContact CD2-CB 4.35Å; Y282-P308 HydrophobicContact CE1-CB 3.96Å; Y282-P308 HydrophobicContact CE2-CB 3.96Å; P308-Y315 HydrophobicContact CB-CD2 4.22Å; P308-Y315 HydrophobicContact CB-CE2 4.25Å; P308-Y315 HydrophobicContact CG-CD2 4.27Å; P308-Y315 HydrophobicContact CG-CE2 3.98Å; P308-I318 HydrophobicContact CB-CG2 4.17Å; P308-I318 HydrophobicContact CG-CG2 4.02Å; P308-M319 HydrophobicContact CG-CG 4.02Å; P308-M319 HydrophobicContact CG-SD 3.4Å; P308-M319 WeakPolarHBondContact CG-SD 3.4Å; P308-L322 HydrophobicContact CG-CD2 4.42Å
309E90.4Very high91.4Very high79 Ų7947.5 Ų47.537%0.36925%0.251SS..PPolyproline II helixtrans-90.5141176.5-64.9-168.4-168.200111.3G311 Q312 Y315 K351E309-G311 PolarHBondContact O-N 2.94Å; E309-Q312 WeakPolarHBondContact O-CB 3.36Å; E309-Q312 PolarHBondContact O-N 3.34Å; E309-Y315 VanDerWaalsContact O-CD2 3.29Å; E309-Y315 WeakPolarHBondContact O-CD2 3.29Å; E309-K351 HydrophobicContact CG-CD 4.21Å; E309-K351 HydrophobicContact CG-CG 3.66Å; E309-K351 WeakPolarHBondContact OE1-CE 3.38Å; E309-K351 IonicContact OE1-NZ 2.7Å
310S87.9Confident91.4Very high65 Ų6550 Ų5046%0.45526%0.264SS..THydrogen-bonded Turntrans-60.4-15.9-177.366.90000114.7K350S310-K350 WeakPolarHBondContact CB-O 3.45Å; S310-K350 PolarHBondContact N-O 3.32Å; S310-K350 PolarHBondContact OG-O 3.1Å
311G85.4Confident91.4Very high74 Ų7450.1 Ų50.176%0.76326%0.264SS*.THydrogen-bonded Turntrans-86.3-1.117600000114.6E309E309-G311 PolarHBondContact O-N 2.94Å
312Q87.2Confident91.4Very high72 Ų7250.2 Ų50.234%0.33627%0.265SS..SBendtrans-78.9147178.7-71.6-167.34.900112.7Y282 E309 Y315Y282-Q312 VanDerWaalsContact OH-CD 3.23Å; Y282-Q312 PolarHBondContact OH-NE2 2.99Å; Y282-Q312 PolarHBondContact OH-OE1 2.78Å; E309-Q312 WeakPolarHBondContact O-CB 3.36Å; E309-Q312 PolarHBondContact O-N 3.34Å; Q312-Y315 WeakPolarHBondContact O-CB 3.28Å; Q312-Y315 PolarHBondContact O-N 3.02Å
313P88.4Confident91.4Very high107 Ų10749.6 Ų49.670%0.69526%0.262SS*.THydrogen-bonded Turntrans-58.4146.6168.728.1-35.4000110Y315P313-Y315 PolarHBondContact O-N 3.25Å; P313-Y315 VanDerWaalsContact O-N 3.12Å
314N89.4Confident91.3Very high122 Ų12252.5 Ų52.565%0.65228%0.275SS*.THydrogen-bonded Turntrans57.921.4179.8-56.7-29.6000115.2R316 Y317 I318N314-R316 VanDerWaalsContact C-N 3.26Å; N314-R316 PolarHBondContact O-N 3.13Å; N314-R316 VanDerWaalsContact O-N 3.1Å; N314-Y317 WeakPolarHBondContact O-CB 3.44Å; N314-Y317 PolarHBondContact O-N 3.44Å; N314-I318 PolarHBondContact O-N 3.16Å
315Y91.5Very high91.4Very high41 Ų4154.2 Ų54.216%0.16128%0.281CS..Hα-helixtrans-45.6-45.3-179.8175.1-104.3000113.8P308 E309 Q312 P313 I318 M319 P353P308-Y315 HydrophobicContact CB-CD2 4.22Å; P308-Y315 HydrophobicContact CB-CE2 4.25Å; P308-Y315 HydrophobicContact CG-CD2 4.27Å; P308-Y315 HydrophobicContact CG-CE2 3.98Å; E309-Y315 VanDerWaalsContact O-CD2 3.29Å; E309-Y315 WeakPolarHBondContact O-CD2 3.29Å; Q312-Y315 WeakPolarHBondContact O-CB 3.28Å; Q312-Y315 PolarHBondContact O-N 3.02Å; P313-Y315 PolarHBondContact O-N 3.25Å; P313-Y315 VanDerWaalsContact O-N 3.12Å; Y315-I318 PolarHBondContact O-N 3.36Å; Y315-M319 HydrophobicContact CD1-CG 4.29Å; Y315-M319 HydrophobicContact CD2-CG 4.01Å; Y315-M319 HydrophobicContact CE1-CG 3.85Å; Y315-M319 HydrophobicContact CE2-CG 3.55Å; Y315-M319 HydrophobicContact CE2-SD 4.08Å; Y315-M319 HydrophobicContact CG-CG 4.37Å; Y315-M319 VanDerWaalsContact CZ-CG 3.45Å; Y315-M319 WeakPolarHBondContact O-CB 3.44Å; Y315-M319 WeakPolarHBondContact O-CG 2.99Å; Y315-M319 PolarHBondContact O-N 3.19Å; Y315-P353 WeakPolarHBondContact OH-CA 3.28Å
316R91.1Very high91.6Very high191 Ų19154.1 Ų54.172%0.72128%0.28SS*.Hα-helixtrans-62.6-45.1178.7-171.2161.277.3107.9-11.4112.5N314 M319 D320N314-R316 VanDerWaalsContact C-N 3.26Å; N314-R316 PolarHBondContact O-N 3.13Å; N314-R316 VanDerWaalsContact O-N 3.1Å; R316-M319 PolarHBondContact O-N 3.01Å; R316-D320 WeakPolarHBondContact O-CB 3.38Å; R316-D320 PolarHBondContact O-N 2.94Å
317Y92.8Very high91.6Very high86 Ų8650.8 Ų50.834%0.33727%0.266SS..Hα-helixtrans-62.5-43.8176.1174.9-96.3000111.9W262 D275 A278 N314 N321W262-Y317 WeakPolarHBondContact CH2-OH 3.39Å; D275-Y317 HydrophobicContact CB-CE1 4.41Å; D275-Y317 VanDerWaalsContact CB-OH 3.29Å; D275-Y317 WeakPolarHBondContact CB-OH 3.35Å; D275-Y317 PolarHBondContact OD2-OH 3.49Å; A278-Y317 HydrophobicContact CB-CD1 4.36Å; A278-Y317 HydrophobicContact CB-CE1 3.71Å; N314-Y317 WeakPolarHBondContact O-CB 3.44Å; N314-Y317 PolarHBondContact O-N 3.44Å; Y317-N321 VanDerWaalsContact CE2-ND2 3.35Å; Y317-N321 WeakPolarHBondContact CE2-ND2 3.23Å; Y317-N321 WeakPolarHBondContact O-CB 3.24Å; Y317-N321 PolarHBondContact O-N 3.25Å; Y317-N321 PolarHBondContact O-ND2 3.45Å
318I93.7Very high91.6Very high19 Ų1950.3 Ų50.310%0.09726%0.264CS..Hα-helixtrans-63.2-46.8177.6-62169.4000110Y282 P308 N314 Y315 N321 L322Y282-I318 HydrophobicContact CD2-CG2 3.59Å; Y282-I318 HydrophobicContact CE2-CG2 3.65Å; P308-I318 HydrophobicContact CB-CG2 4.17Å; P308-I318 HydrophobicContact CG-CG2 4.02Å; N314-I318 PolarHBondContact O-N 3.16Å; Y315-I318 PolarHBondContact O-N 3.36Å; I318-N321 PolarHBondContact O-N 3.38Å; I318-L322 WeakPolarHBondContact O-CB 3.09Å; I318-L322 PolarHBondContact O-N 3.45Å
319M93.3Very high91.6Very high3 Ų351.4 Ų51.42%0.01527%0.271CS..Hα-helixtrans-63.2-43.4178.8-78.3-60.5-7300112.9M307 P308 Y315 R316 L322 F323 P353 W357M307-M319 HydrophobicContact CE-CE 3.51Å; M307-M319 HydrophobicContact CE-SD 4.2Å; M307-M319 HydrophobicContact SD-CE 4.09Å; M307-M319 HydrophobicContact SD-SD 4.29Å; P308-M319 HydrophobicContact CG-CG 4.02Å; P308-M319 HydrophobicContact CG-SD 3.4Å; P308-M319 WeakPolarHBondContact CG-SD 3.4Å; Y315-M319 HydrophobicContact CD1-CG 4.29Å; Y315-M319 HydrophobicContact CD2-CG 4.01Å; Y315-M319 HydrophobicContact CE1-CG 3.85Å; Y315-M319 HydrophobicContact CE2-CG 3.55Å; Y315-M319 HydrophobicContact CE2-SD 4.08Å; Y315-M319 HydrophobicContact CG-CG 4.37Å; Y315-M319 VanDerWaalsContact CZ-CG 3.45Å; Y315-M319 WeakPolarHBondContact O-CB 3.44Å; Y315-M319 WeakPolarHBondContact O-CG 2.99Å; Y315-M319 PolarHBondContact O-N 3.19Å; R316-M319 PolarHBondContact O-N 3.01Å; M319-L322 PolarHBondContact O-N 2.85Å; M319-L322 HydrophobicContact SD-CD2 4.46Å; M319-F323 WeakPolarHBondContact O-CB 3.48Å; M319-F323 PolarHBondContact O-N 2.8Å; M319-P353 HydrophobicContact CE-CB 3.78Å; M319-P353 HydrophobicContact CE-CG 3.75Å; M319-W357 HydrophobicContact CB-CZ2 3.95Å; M319-W357 HydrophobicContact CE-CE3 4.32Å; M319-W357 HydrophobicContact CE-CH2 3.44Å; M319-W357 VanDerWaalsContact CE-CH2 3.44Å; M319-W357 HydrophobicContact CE-CZ2 3.86Å; M319-W357 HydrophobicContact CE-CZ3 3.71Å
320D92.7Very high91.6Very high51 Ų5148.2 Ų48.227%0.27326%0.256SS..Hα-helixtrans-66.8-39.3180-67.5-17.8000111.2R316 K324 W357R316-D320 WeakPolarHBondContact O-CB 3.38Å; R316-D320 PolarHBondContact O-N 2.94Å; D320-K324 WeakPolarHBondContact O-CD 3.47Å; D320-K324 VanDerWaalsContact O-CG 3.26Å; D320-K324 WeakPolarHBondContact O-CG 3.46Å; D320-K324 PolarHBondContact O-N 2.88Å; D320-W357 PolarHBondContact OD1-NE1 2.7Å
321N93.8Very high91.6Very high5 Ų546.8 Ų46.83%0.02724%0.242CC..Hα-helixtrans-67.6-41.4172-78.5-78.3000112.2V274 D275 I279 Y317 I318 F323 K324 Y325V274-N321 WeakPolarHBondContact CA-OD1 3.38Å; V274-N321 HydrophobicContact CG1-CB 4.26Å; V274-N321 WeakPolarHBondContact CG1-O 3.31Å; D275-N321 PolarHBondContact N-OD1 3.14Å; I279-N321 HydrophobicContact CG2-CB 3.52Å; Y317-N321 VanDerWaalsContact CE2-ND2 3.35Å; Y317-N321 WeakPolarHBondContact CE2-ND2 3.23Å; Y317-N321 WeakPolarHBondContact O-CB 3.24Å; Y317-N321 PolarHBondContact O-N 3.25Å; Y317-N321 PolarHBondContact O-ND2 3.45Å; I318-N321 PolarHBondContact O-N 3.38Å; N321-F323 VanDerWaalsContact C-N 3.35Å; N321-F323 PolarHBondContact O-N 3.19Å; N321-K324 PolarHBondContact O-N 2.95Å; N321-Y325 WeakPolarHBondContact O-CB 3.31Å; N321-Y325 PolarHBondContact O-N 2.91Å
322L94.7Very high91.7Very high3 Ų349.2 Ų49.22%0.01624%0.237CC..Hα-helixtrans-66-38.2179.3-173.863.5000111.4I279 V285 M307 P308 I318 M319 Y325 V326I279-L322 HydrophobicContact CB-CD1 4.27Å; I279-L322 HydrophobicContact CG2-CB 4.17Å; V285-L322 HydrophobicContact CG1-CD1 3.78Å; V285-L322 HydrophobicContact CG1-CD2 4.27Å; V285-L322 HydrophobicContact CG1-CG 4.17Å; M307-L322 HydrophobicContact SD-CD2 4.28Å; P308-L322 HydrophobicContact CG-CD2 4.42Å; I318-L322 WeakPolarHBondContact O-CB 3.09Å; I318-L322 PolarHBondContact O-N 3.45Å; M319-L322 PolarHBondContact O-N 2.85Å; M319-L322 HydrophobicContact SD-CD2 4.46Å; L322-Y325 HydrophobicContact CD1-CD1 4.32Å; L322-Y325 WeakPolarHBondContact O-CB 3.46Å; L322-Y325 PolarHBondContact O-N 3.32Å; L322-V326 WeakPolarHBondContact O-CB 3.43Å; L322-V326 VanDerWaalsContact O-CG2 3.23Å; L322-V326 WeakPolarHBondContact O-CG2 3.41Å; L322-V326 PolarHBondContact O-N 3.45Å
323F93.8Very high91.6Very high22 Ų2248.4 Ų48.410%0.09623%0.234CC..Hα-helixtrans-63.8-48.6174.5178-108.6000111.6M319 N321 Y325 V326 I327 W357 C361 Q364 I365M319-F323 WeakPolarHBondContact O-CB 3.48Å; M319-F323 PolarHBondContact O-N 2.8Å; N321-F323 VanDerWaalsContact C-N 3.35Å; N321-F323 PolarHBondContact O-N 3.19Å; F323-Y325 VanDerWaalsContact C-N 3.3Å; F323-Y325 PolarHBondContact O-N 3.42Å; F323-V326 PolarHBondContact O-N 2.95Å; F323-V326 VanDerWaalsContact O-N 3.12Å; F323-I327 HydrophobicContact CD1-CG1 4.33Å; F323-I327 HydrophobicContact CD2-CD1 4.42Å; F323-I327 HydrophobicContact CD2-CG1 4.12Å; F323-I327 HydrophobicContact CE1-CG1 3.82Å; F323-I327 HydrophobicContact CE2-CD1 3.63Å; F323-I327 HydrophobicContact CE2-CG1 3.57Å; F323-I327 HydrophobicContact CG-CG1 4.46Å; F323-I327 HydrophobicContact CZ-CD1 3.74Å; F323-I327 HydrophobicContact CZ-CG1 3.4Å; F323-I327 VanDerWaalsContact CZ-CG1 3.4Å; F323-I327 WeakPolarHBondContact O-CG1 3.4Å; F323-I327 PolarHBondContact O-N 2.84Å; F323-W357 HydrophobicContact CB-CH2 3.8Å; F323-W357 HydrophobicContact CB-CZ2 3.67Å; F323-W357 HydrophobicContact CD2-CH2 4.11Å; F323-W357 HydrophobicContact CG-CH2 4.14Å; F323-W357 HydrophobicContact CG-CZ2 4.18Å; F323-C361 HydrophobicContact CD2-CB 3.99Å; F323-C361 HydrophobicContact CE1-CB 4.16Å; F323-C361 HydrophobicContact CE2-CB 3.47Å; F323-C361 VanDerWaalsContact CE2-CB 3.47Å; F323-C361 HydrophobicContact CZ-CB 3.57Å; F323-C361 WeakPolarHBondContact CZ-O 3.37Å; F323-Q364 HydrophobicContact CE1-CB 3.86Å; F323-Q364 VanDerWaalsContact CE1-OE1 3.3Å; F323-Q364 HydrophobicContact CZ-CB 4.27Å; F323-I365 HydrophobicContact CZ-CG1 4.14Å
324K93.3Very high91.3Very high63 Ų6343.4 Ų43.427%0.27420%0.202SC..Hα-helixtrans-58-41.5174.4-69167.2-179.7-179.30112.1F267 H272 V274 D320 N321 I327 G328F267-K324 HydrophobicContact CE1-CB 4.37Å; F267-K324 HydrophobicContact CZ-CB 4.28Å; F267-K324 HydrophobicContact CZ-CG 4.21Å; H272-K324 HydrophobicContact CB-CD 4.45Å; V274-K324 HydrophobicContact CG2-CB 3.39Å; V274-K324 HydrophobicContact CG2-CD 4.08Å; V274-K324 HydrophobicContact CG2-CG 4.39Å; D320-K324 WeakPolarHBondContact O-CD 3.47Å; D320-K324 VanDerWaalsContact O-CG 3.26Å; D320-K324 WeakPolarHBondContact O-CG 3.46Å; D320-K324 PolarHBondContact O-N 2.88Å; N321-K324 PolarHBondContact O-N 2.95Å; K324-I327 PolarHBondContact O-N 2.83Å; K324-G328 PolarHBondContact O-N 2.83Å
325Y94.1Very high90.4Very high35 Ų3541.7 Ų41.714%0.13721%0.205CC..Hα-helixtrans-60.7-45173.5173.9-105.6000112.3F265 M276 I279 K283 I286 N321 L322 F323 T329F265-Y325 HydrophobicContact CE2-CD2 4.04Å; F265-Y325 AromaticContact CZ-CD2 3.6Å; F265-Y325 HydrophobicContact CZ-CD2 3.6Å; F265-Y325 HydrophobicContact CZ-CE2 4.09Å; M276-Y325 HydrophobicContact CE-CD2 4.09Å; M276-Y325 HydrophobicContact CE-CE2 3.85Å; M276-Y325 HydrophobicContact SD-CD2 4.06Å; M276-Y325 HydrophobicContact SD-CE2 4.43Å; I279-Y325 VanDerWaalsContact CD1-CB 3.43Å; I279-Y325 HydrophobicContact CD1-CD1 4.07Å; I279-Y325 HydrophobicContact CD1-CD2 3.76Å; I279-Y325 HydrophobicContact CD1-CG 3.47Å; I279-Y325 VanDerWaalsContact CD1-CG 3.47Å; K283-Y325 HydrophobicContact CB-CE1 4.22Å; K283-Y325 HydrophobicContact CG-CE1 4.19Å; I286-Y325 HydrophobicContact CG2-CD1 4.19Å; I286-Y325 HydrophobicContact CG2-CE1 3.63Å; N321-Y325 WeakPolarHBondContact O-CB 3.31Å; N321-Y325 PolarHBondContact O-N 2.91Å; L322-Y325 HydrophobicContact CD1-CD1 4.32Å; L322-Y325 WeakPolarHBondContact O-CB 3.46Å; L322-Y325 PolarHBondContact O-N 3.32Å; F323-Y325 VanDerWaalsContact C-N 3.3Å; F323-Y325 PolarHBondContact O-N 3.42Å; Y325-T329 VanDerWaalsContact O-CB 3.25Å; Y325-T329 WeakPolarHBondContact O-CB 3.5Å; Y325-T329 PolarHBondContact O-N 3.49Å; Y325-T329 PolarHBondContact O-OG1 3.12Å
326V94.1Very high89.9Confident13 Ų1344.9 Ų44.98%0.07922%0.221CC..Hα-helixtrans-63.4-49177.8166.40000110.5V285 I286 F302 L322 F323 T329 L330V285-V326 HydrophobicContact CG1-CG2 3.85Å; I286-V326 HydrophobicContact CB-CG2 4.36Å; I286-V326 HydrophobicContact CD1-CG1 4.17Å; I286-V326 HydrophobicContact CG2-CG2 4.1Å; F302-V326 HydrophobicContact CD2-CG1 4.47Å; F302-V326 HydrophobicContact CE2-CG1 4.17Å; F302-V326 HydrophobicContact CE2-CG2 4.04Å; L322-V326 WeakPolarHBondContact O-CB 3.43Å; L322-V326 VanDerWaalsContact O-CG2 3.23Å; L322-V326 WeakPolarHBondContact O-CG2 3.41Å; L322-V326 PolarHBondContact O-N 3.45Å; F323-V326 PolarHBondContact O-N 2.95Å; F323-V326 VanDerWaalsContact O-N 3.12Å; V326-T329 PolarHBondContact O-N 2.93Å; V326-L330 HydrophobicContact CG1-CD1 4.4Å; V326-L330 HydrophobicContact CG1-CG 4.47Å; V326-L330 VanDerWaalsContact O-CG 3.31Å; V326-L330 WeakPolarHBondContact O-CG 3.37Å; V326-L330 PolarHBondContact O-N 3.04Å
327I92.2Very high89.8Confident3 Ų339.2 Ų39.22%0.01521%0.205CC..Hα-helixtrans-63.5-45.5178.6-61.7-50.3000111.6F267 F323 K324 T329 L330 E331 I365 L369F267-I327 HydrophobicContact CB-CG2 4.28Å; F267-I327 HydrophobicContact CD1-CG2 4.11Å; F267-I327 HydrophobicContact CD2-CG2 3.64Å; F267-I327 HydrophobicContact CE1-CB 4.34Å; F267-I327 HydrophobicContact CE1-CG2 4.26Å; F267-I327 HydrophobicContact CE2-CB 4.35Å; F267-I327 HydrophobicContact CE2-CG2 3.8Å; F267-I327 HydrophobicContact CG-CG2 3.79Å; F267-I327 HydrophobicContact CZ-CB 4.21Å; F267-I327 HydrophobicContact CZ-CG2 4.1Å; F323-I327 HydrophobicContact CD1-CG1 4.33Å; F323-I327 HydrophobicContact CD2-CD1 4.42Å; F323-I327 HydrophobicContact CD2-CG1 4.12Å; F323-I327 HydrophobicContact CE1-CG1 3.82Å; F323-I327 HydrophobicContact CE2-CD1 3.63Å; F323-I327 HydrophobicContact CE2-CG1 3.57Å; F323-I327 HydrophobicContact CG-CG1 4.46Å; F323-I327 HydrophobicContact CZ-CD1 3.74Å; F323-I327 HydrophobicContact CZ-CG1 3.4Å; F323-I327 VanDerWaalsContact CZ-CG1 3.4Å; F323-I327 WeakPolarHBondContact O-CG1 3.4Å; F323-I327 PolarHBondContact O-N 2.84Å; K324-I327 PolarHBondContact O-N 2.83Å; I327-T329 VanDerWaalsContact C-N 3.28Å; I327-T329 PolarHBondContact O-N 2.98Å; I327-L330 HydrophobicContact CD1-CD1 4Å; I327-L330 WeakPolarHBondContact O-CB 3.31Å; I327-L330 PolarHBondContact O-N 2.98Å; I327-E331 WeakPolarHBondContact O-CB 3.5Å; I327-E331 PolarHBondContact O-N 2.7Å; I327-I365 HydrophobicContact CD1-CD1 4.06Å; I327-I365 HydrophobicContact CD1-CG1 3.83Å; I327-I365 HydrophobicContact CD1-CG2 4.44Å; I327-L369 HydrophobicContact CG2-CD1 4.04Å
328G91.8Very high89.8Confident1 Ų135.4 Ų35.41%0.0119%0.19CC..Hα-helixtrans-63.3-32.8175.600000113.4K324 L332K324-G328 PolarHBondContact O-N 2.83Å; G328-L332 VanDerWaalsContact O-CG 3.3Å; G328-L332 WeakPolarHBondContact O-CG 3.21Å; G328-L332 PolarHBondContact O-N 3.27Å
329T91.6Very high89.8Confident25 Ų2535.2 Ų35.215%0.15319%0.189CC..Hα-helixtrans-73-42.1173.6-57.60000111.6I286 Y325 V326 I327 E331 L332 L333I286-T329 HydrophobicContact CD1-CG2 3.99Å; I286-T329 HydrophobicContact CG1-CG2 4.38Å; I286-T329 HydrophobicContact CG2-CG2 4.46Å; Y325-T329 VanDerWaalsContact O-CB 3.25Å; Y325-T329 WeakPolarHBondContact O-CB 3.5Å; Y325-T329 PolarHBondContact O-N 3.49Å; Y325-T329 PolarHBondContact O-OG1 3.12Å; V326-T329 PolarHBondContact O-N 2.93Å; I327-T329 VanDerWaalsContact C-N 3.28Å; I327-T329 PolarHBondContact O-N 2.98Å; T329-E331 PolarHBondContact O-N 3.29Å; T329-L332 PolarHBondContact O-N 2.8Å; T329-L333 HydrophobicContact CG2-CD1 3.93Å; T329-L333 HydrophobicContact CG2-CG 4.49Å; T329-L333 VanDerWaalsContact O-CG 3.29Å; T329-L333 WeakPolarHBondContact O-CG 3.38Å; T329-L333 PolarHBondContact O-N 2.85Å; T329-L333 VanDerWaalsContact O-N 3.14Å
330L90.8Very high89.8Confident11 Ų1136.3 Ų36.36%0.05820%0.195CC..Hα-helixtrans-55.6-44.5171.5-71.6179.4000110.2I286 I300 V326 I327 L332 L333 V334 Y338 L369I286-L330 HydrophobicContact CD1-CD2 4.01Å; I286-L330 HydrophobicContact CD1-CG 4.24Å; I300-L330 HydrophobicContact CB-CD2 4.39Å; I300-L330 HydrophobicContact CD1-CD2 3.45Å; I300-L330 VanDerWaalsContact CD1-CD2 3.45Å; I300-L330 HydrophobicContact CG1-CD2 4.49Å; I300-L330 HydrophobicContact CG2-CD2 3.82Å; V326-L330 HydrophobicContact CG1-CD1 4.4Å; V326-L330 HydrophobicContact CG1-CG 4.47Å; V326-L330 VanDerWaalsContact O-CG 3.31Å; V326-L330 WeakPolarHBondContact O-CG 3.37Å; V326-L330 PolarHBondContact O-N 3.04Å; I327-L330 HydrophobicContact CD1-CD1 4Å; I327-L330 WeakPolarHBondContact O-CB 3.31Å; I327-L330 PolarHBondContact O-N 2.98Å; L330-L332 PolarHBondContact O-N 2.75Å; L330-L333 PolarHBondContact O-N 2.83Å; L330-V334 VanDerWaalsContact O-CB 3.23Å; L330-V334 WeakPolarHBondContact O-CB 3.44Å; L330-V334 WeakPolarHBondContact O-CG2 3.44Å; L330-V334 PolarHBondContact O-N 2.81Å; L330-Y338 HydrophobicContact CD2-CE2 4.1Å; L330-L369 HydrophobicContact CB-CD1 4.32Å; L330-L369 HydrophobicContact CB-CD2 4.47Å
331E89.3Confident89.9Confident36 Ų3633.9 Ų33.917%0.16818%0.182CC..Hα-helixtrans-64.6-40.6-176.7-159.9-176.6-14800113.9F267 I327 T329 L333 V334 R368F267-E331 WeakPolarHBondContact CA-OE2 3.42Å; F267-E331 WeakPolarHBondContact CB-OE2 3.4Å; I327-E331 WeakPolarHBondContact O-CB 3.5Å; I327-E331 PolarHBondContact O-N 2.7Å; T329-E331 PolarHBondContact O-N 3.29Å; E331-L333 VanDerWaalsContact C-N 3.3Å; E331-L333 PolarHBondContact O-N 2.77Å; E331-V334 PolarHBondContact O-N 2.86Å; E331-R368 IonicContact OE1-NH2 2.94Å; E331-R368 PolarHBondContact OE1-NH2 2.89Å; E331-R368 VanDerWaalsContact OE1-NH2 3.15Å
332L87.5Confident90Very high125 Ų12535.8 Ų35.865%0.65419%0.189SC*.Hα-helixtrans-67.4-29.2175.3-68.1168.1000112.8F265 G328 T329 L330F265-L332 HydrophobicContact CD1-CD1 4.48Å; F265-L332 HydrophobicContact CE1-CD1 4.29Å; G328-L332 VanDerWaalsContact O-CG 3.3Å; G328-L332 WeakPolarHBondContact O-CG 3.21Å; G328-L332 PolarHBondContact O-N 3.27Å; T329-L332 PolarHBondContact O-N 2.8Å; L330-L332 PolarHBondContact O-N 2.75Å
333L84.7Confident90Very high54 Ų5435.7 Ų35.728%0.28319%0.188SC..Hα-helixtrans-88-20.2178.8-66.4174.1000113.4I300 T329 L330 E331 A335I300-L333 HydrophobicContact CD1-CB 3.95Å; I300-L333 HydrophobicContact CD1-CD1 4Å; I300-L333 HydrophobicContact CG1-CD1 4.28Å; T329-L333 HydrophobicContact CG2-CD1 3.93Å; T329-L333 HydrophobicContact CG2-CG 4.49Å; T329-L333 VanDerWaalsContact O-CG 3.29Å; T329-L333 WeakPolarHBondContact O-CG 3.38Å; T329-L333 PolarHBondContact O-N 2.85Å; T329-L333 VanDerWaalsContact O-N 3.14Å; L330-L333 PolarHBondContact O-N 2.83Å; E331-L333 VanDerWaalsContact C-N 3.3Å; E331-L333 PolarHBondContact O-N 2.77Å; L333-A335 PolarHBondContact O-N 3.07Å
334V80.7Confident89.8Confident3 Ų335 Ų352%0.01819%0.186CC..  trans-100.486.3-173.6177.30000110.3I300 L330 E331 E336 Y338 R368 L369 N372I300-V334 HydrophobicContact CD1-CG2 4.17Å; L330-V334 VanDerWaalsContact O-CB 3.23Å; L330-V334 WeakPolarHBondContact O-CB 3.44Å; L330-V334 WeakPolarHBondContact O-CG2 3.44Å; L330-V334 PolarHBondContact O-N 2.81Å; E331-V334 PolarHBondContact O-N 2.86Å; V334-E336 WeakPolarHBondContact CG1-O 3.42Å; V334-Y338 HydrophobicContact CB-CD1 4.17Å; V334-Y338 HydrophobicContact CB-CE1 4.38Å; V334-Y338 HydrophobicContact CG1-CD1 3.58Å; V334-Y338 HydrophobicContact CG1-CE1 3.78Å; V334-Y338 HydrophobicContact CG1-CG 4.41Å; V334-Y338 HydrophobicContact CG2-CD1 3.36Å; V334-Y338 HydrophobicContact CG2-CD2 3.78Å; V334-Y338 HydrophobicContact CG2-CE1 3.61Å; V334-Y338 HydrophobicContact CG2-CE2 3.97Å; V334-Y338 HydrophobicContact CG2-CG 3.45Å; V334-Y338 VanDerWaalsContact CG2-CG 3.45Å; V334-R368 PolarHBondContact O-NH1 3.47Å; V334-L369 HydrophobicContact CB-CD2 3.83Å; V334-L369 HydrophobicContact CG1-CD2 3.91Å; V334-L369 HydrophobicContact CG2-CD2 4.14Å; V334-N372 HydrophobicContact CG1-CB 3.88Å
335A72.1Confident89.1Confident85 Ų8532.1 Ų32.170%0.70217%0.173SC*.SBendtrans-74.2-61.1163.700000110.4L333L333-A335 PolarHBondContact O-N 3.07Å
336E80.4Confident88.2Confident108 Ų10832.9 Ų32.951%0.50519%0.187SC..SBendtrans-115.6-122.6179.8-61.8-169.4-179.100111.4V334 N372V334-E336 WeakPolarHBondContact CG1-O 3.42Å; E336-N372 VanDerWaalsContact O-CB 3.24Å; E336-N372 WeakPolarHBondContact O-CB 3.36Å; E336-N372 PolarHBondContact O-ND2 3.23Å
337N89.1Confident87.5Confident72 Ų7233.6 Ų33.639%0.38519%0.192SC..  trans-89.9151.2-178.4-54-87.5000111.4N297 N372N297-N337 VanDerWaalsContact CA-O 3.3Å; N297-N337 WeakPolarHBondContact CA-O 3.4Å; N297-N337 WeakPolarHBondContact OD1-CB 3.06Å; N297-N337 PolarHBondContact OD1-O 2.9Å; N337-N372 WeakPolarHBondContact CA-O 3.29Å
338Y92.4Very high86.9Confident6 Ų636.6 Ų36.62%0.02421%0.213CC..EExtended strand (participates in β ladder)trans-148.2161.6-176.273.7-75.3000112.7A298 I300 L330 V334 I340 L369 N372 L373 K374A298-Y338 CarbonylContact O-C 3.6Å; A298-Y338 VanDerWaalsContact O-CA 3.28Å; A298-Y338 WeakPolarHBondContact O-CA 3.27Å; A298-Y338 WeakPolarHBondContact O-CB 3.41Å; I300-Y338 HydrophobicContact CD1-CD2 3.68Å; I300-Y338 HydrophobicContact CD1-CE2 4.16Å; I300-Y338 HydrophobicContact CD1-CG 4.46Å; I300-Y338 HydrophobicContact CG1-CD2 4.27Å; L330-Y338 HydrophobicContact CD2-CE2 4.1Å; V334-Y338 HydrophobicContact CB-CD1 4.17Å; V334-Y338 HydrophobicContact CB-CE1 4.38Å; V334-Y338 HydrophobicContact CG1-CD1 3.58Å; V334-Y338 HydrophobicContact CG1-CE1 3.78Å; V334-Y338 HydrophobicContact CG1-CG 4.41Å; V334-Y338 HydrophobicContact CG2-CD1 3.36Å; V334-Y338 HydrophobicContact CG2-CD2 3.78Å; V334-Y338 HydrophobicContact CG2-CE1 3.61Å; V334-Y338 HydrophobicContact CG2-CE2 3.97Å; V334-Y338 HydrophobicContact CG2-CG 3.45Å; V334-Y338 VanDerWaalsContact CG2-CG 3.45Å; Y338-I340 HydrophobicContact CD2-CG1 4.03Å; Y338-I340 HydrophobicContact CE2-CD1 3.77Å; Y338-I340 HydrophobicContact CE2-CG1 3.6Å; Y338-L369 WeakPolarHBondContact CE1-O 3.47Å; Y338-L369 PolarHBondContact OH-O 3.19Å; Y338-N372 HydrophobicContact CD1-CB 4.09Å; Y338-N372 HydrophobicContact CE1-CB 4.04Å; Y338-N372 PolarHBondContact N-O 2.89Å; Y338-N372 VanDerWaalsContact N-O 3.12Å; Y338-L373 HydrophobicContact CD2-CD1 4.15Å; Y338-L373 HydrophobicContact CE1-CB 3.89Å; Y338-L373 HydrophobicContact CE1-CD1 4.45Å; Y338-L373 VanDerWaalsContact CE1-N 3.29Å; Y338-L373 HydrophobicContact CE2-CD1 3.81Å; Y338-L373 CarbonylContact O-C 3.6Å; Y338-K374 WeakPolarHBondContact O-CB 3.25Å; Y338-K374 PolarHBondContact O-N 3.23Å
339M92.7Very high86.4Confident16 Ų1643.2 Ų43.28%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-119.3136.7176.8-70.817356.600110.3Y292 A298 I300 K374 S375 I377 V417Y292-M339 HydrophobicContact CD1-SD 4.41Å; Y292-M339 HydrophobicContact CD2-SD 4.34Å; Y292-M339 HydrophobicContact CG-SD 4.2Å; A298-M339 PolarHBondContact O-N 3.28Å; I300-M339 PolarHBondContact N-O 3.36Å; M339-K374 HydrophobicContact CG-CB 4.1Å; M339-K374 HydrophobicContact SD-CD 4.43Å; M339-S375 WeakPolarHBondContact CA-O 3.22Å; M339-I377 HydrophobicContact CE-CD1 3.63Å; M339-V417 HydrophobicContact CE-CG2 3.98Å
340I94.9Very high86.1Confident26 Ų2648.1 Ų48.113%0.13326%0.257CS..EExtended strand (participates in β ladder)trans-103.1126.8171.5-63172.3000109.1I300 F302 Y338 L373 S375 L376 I377I300-I340 CarbonylContact O-C 3.6Å; I300-I340 VanDerWaalsContact O-CA 3.29Å; I300-I340 WeakPolarHBondContact O-CA 3.06Å; F302-I340 HydrophobicContact CB-CG2 4.42Å; Y338-I340 HydrophobicContact CD2-CG1 4.03Å; Y338-I340 HydrophobicContact CE2-CD1 3.77Å; Y338-I340 HydrophobicContact CE2-CG1 3.6Å; I340-L373 HydrophobicContact CB-CD1 4.16Å; I340-L373 HydrophobicContact CD1-CD1 3.79Å; I340-L373 HydrophobicContact CG1-CD1 3.68Å; I340-S375 PolarHBondContact N-O 3.08Å; I340-L376 HydrophobicContact CB-CD1 3.7Å; I340-L376 HydrophobicContact CG2-CD1 3.51Å; I340-L376 CarbonylContact O-C 3.53Å; I340-L376 WeakPolarHBondContact O-CA 3.36Å; I340-I377 PolarHBondContact O-N 2.91Å
341V95.3Very high85.7Confident0 Ų049.6 Ų49.60%026%0.263CS..EExtended strand (participates in β ladder)trans-102.3104.4167.3-179.40000108.3I299 I300 V301 F302 L343 I377 V379 L413 V417I299-V341 HydrophobicContact CG2-CG2 4.16Å; I300-V341 PolarHBondContact O-N 2.77Å; V301-V341 WeakPolarHBondContact CA-O 3.14Å; F302-V341 PolarHBondContact N-O 2.91Å; V341-L343 HydrophobicContact CG1-CD2 3.68Å; V341-L343 HydrophobicContact CG1-CG 4.2Å; V341-I377 CarbonylContact C-O 3.59Å; V341-V379 HydrophobicContact CG1-CG2 3.97Å; V341-L413 HydrophobicContact CG1-CD1 3.79Å; V341-L413 HydrophobicContact CG1-CD2 4.08Å; V341-L413 HydrophobicContact CG2-CD1 4.26Å; V341-V417 HydrophobicContact CG2-CG2 4.11Å
342Y94.8Very high85.5Confident45 Ų4548.7 Ų48.718%0.17626%0.259CS..EExtended strand (participates in β ladder)trans-92.5105.6179.5-174.4-82.3000110F302 V304 N344 I377 I378 V379 I385F302-Y342 HydrophobicContact CB-CD2 4.29Å; F302-Y342 AromaticContact CD1-CD2 3.49Å; F302-Y342 HydrophobicContact CD1-CD2 3.49Å; F302-Y342 VanDerWaalsContact CD1-CD2 3.49Å; F302-Y342 AromaticContact CD1-CE2 3.45Å; F302-Y342 HydrophobicContact CD1-CE2 3.45Å; F302-Y342 VanDerWaalsContact CD1-CE2 3.45Å; F302-Y342 HydrophobicContact CD1-CG 4.47Å; F302-Y342 HydrophobicContact CE1-CD2 4.21Å; F302-Y342 AromaticContact CE1-CE2 3.7Å; F302-Y342 HydrophobicContact CE1-CE2 3.7Å; F302-Y342 HydrophobicContact CG-CD2 4.2Å; F302-Y342 HydrophobicContact CG-CE2 4.5Å; V304-Y342 HydrophobicContact CG2-CD1 4.12Å; V304-Y342 HydrophobicContact CG2-CD2 4.41Å; V304-Y342 HydrophobicContact CG2-CE1 3.44Å; V304-Y342 VanDerWaalsContact CG2-CE1 3.44Å; V304-Y342 HydrophobicContact CG2-CE2 3.8Å; V304-Y342 WeakPolarHBondContact CG2-OH 3.37Å; Y342-N344 HydrophobicContact CD1-CB 4.14Å; Y342-N344 HydrophobicContact CE1-CB 3.91Å; Y342-N344 PolarHBondContact O-N 3.36Å; Y342-I377 PolarHBondContact N-O 3.34Å; Y342-I378 HydrophobicContact CD1-CG2 4.11Å; Y342-V379 PolarHBondContact O-N 3.4Å; Y342-I385 HydrophobicContact CD1-CD1 4.46Å; Y342-I385 HydrophobicContact CE1-CD1 3.46Å; Y342-I385 VanDerWaalsContact CE1-CD1 3.46Å
343L93.7Very high85.3Confident0 Ų043.1 Ų43.10%023%0.23CC..EExtended strand (participates in β ladder)trans-91.599.5-177.5-57.8178.9000111V301 F302 V304 V341 V379 L413 I424 I428V301-L343 HydrophobicContact CG1-CD1 3.54Å; V301-L343 HydrophobicContact CG1-CG 4.01Å; F302-L343 PolarHBondContact O-N 2.86Å; V304-L343 WeakPolarHBondContact CG2-O 3.37Å; V304-L343 PolarHBondContact N-O 3.08Å; V341-L343 HydrophobicContact CG1-CD2 3.68Å; V341-L343 HydrophobicContact CG1-CG 4.2Å; L343-V379 HydrophobicContact CD2-CB 3.82Å; L343-V379 HydrophobicContact CD2-CG1 4.11Å; L343-V379 HydrophobicContact CD2-CG2 3.82Å; L343-L413 HydrophobicContact CD2-CD2 4.31Å; L343-I424 HydrophobicContact CD1-CG1 4.43Å; L343-I428 HydrophobicContact CB-CD1 3.71Å; L343-I428 HydrophobicContact CD1-CD1 4.21Å
344N89.8Confident85.4Confident9 Ų943.9 Ų43.95%0.04824%0.244CC..  trans-93.1-7.6-179.1-177.678.3000114Y342 T347 M352 V379 H380 S382 I385Y342-N344 HydrophobicContact CD1-CB 4.14Å; Y342-N344 HydrophobicContact CE1-CB 3.91Å; Y342-N344 PolarHBondContact O-N 3.36Å; N344-T347 WeakPolarHBondContact O-CB 3.41Å; N344-T347 PolarHBondContact O-N 3.34Å; N344-T347 PolarHBondContact O-OG1 3.05Å; N344-M352 WeakPolarHBondContact OD1-CE 3.31Å; N344-V379 WeakPolarHBondContact CB-O 3.48Å; N344-V379 PolarHBondContact N-O 3.31Å; N344-H380 WeakPolarHBondContact CB-O 3.23Å; N344-H380 PolarHBondContact ND2-O 3.29Å; N344-S382 WeakPolarHBondContact ND2-CB 3.45Å; N344-S382 PolarHBondContact ND2-N 2.84Å; N344-S382 VanDerWaalsContact ND2-N 3.1Å; N344-I385 HydrophobicContact CB-CD1 4.33Å; N344-I385 VanDerWaalsContact OD1-CD1 3.22Å; N344-I385 WeakPolarHBondContact OD1-CD1 3.36Å
345G79.8Confident85.6Confident1 Ų147 Ų471%0.0126%0.263CS..THydrogen-bonded Turntrans-52148.4-177.500000113.2T347 I428G345-T347 PolarHBondContact O-N 3.07Å; G345-T347 PolarHBondContact O-OG1 3.34Å; G345-T347 VanDerWaalsContact O-OG1 3.08Å; G345-I428 WeakPolarHBondContact O-CG1 3.49Å
346A74.4Confident86.2Confident52 Ų5245.1 Ų45.143%0.4325%0.251SS..THydrogen-bonded Turntrans54.78.6-179.400000117.3C427 F431A346-C427 HydrophobicContact CB-CB 4.14Å; A346-C427 WeakPolarHBondContact CB-O 3.24Å; A346-F431 HydrophobicContact CB-CB 4.02Å; A346-F431 HydrophobicContact CB-CD2 4.4Å; A346-F431 HydrophobicContact CB-CG 4.4Å
347T79.4Confident86.6Confident28 Ų2842.3 Ų42.317%0.17224%0.236CC..  trans-91.9124.4-170.4-590000112.8V304 C305 N344 G345 K351 M352V304-T347 HydrophobicContact CB-CG2 4.05Å; V304-T347 HydrophobicContact CG1-CG2 3.83Å; C305-T347 PolarHBondContact N-OG1 2.81Å; N344-T347 WeakPolarHBondContact O-CB 3.41Å; N344-T347 PolarHBondContact O-N 3.34Å; N344-T347 PolarHBondContact O-OG1 3.05Å; G345-T347 PolarHBondContact O-N 3.07Å; G345-T347 PolarHBondContact O-OG1 3.34Å; G345-T347 VanDerWaalsContact O-OG1 3.08Å; T347-K351 HydrophobicContact CG2-CB 3.83Å; T347-K351 HydrophobicContact CG2-CD 4.4Å; T347-M352 HydrophobicContact CG2-CE 4.01Å
348S80.5Confident86.5Confident65 Ų6541.4 Ų41.446%0.45523%0.231SC..  trans-72150.7174.5-179.10000112.4K350 K351S348-K350 PolarHBondContact O-N 3.21Å; S348-K350 VanDerWaalsContact O-N 3.1Å; S348-K351 PolarHBondContact O-N 3.28Å
349R81.6Confident86.2Confident140 Ų14047.9 Ų47.953%0.52826%0.256SS..G310 helixtrans-55.6-28.3176-69.7-75-74.1129.8-7.6113K351 M352 F384R349-K351 PolarHBondContact O-N 2.84Å; R349-M352 WeakPolarHBondContact O-CB 3.38Å; R349-M352 PolarHBondContact O-N 2.8Å; R349-F384 VanDerWaalsContact CZ-CD2 3.47Å; R349-F384 VanDerWaalsContact CZ-CG 3.41Å
350K83.9Confident85.9Confident129 Ų12953.8 Ų53.856%0.56128%0.281SS*.G310 helixtrans-62.7-18.4177.1-60.7-174.8-179.5-176.90114.1S310 S348S310-K350 WeakPolarHBondContact CB-O 3.45Å; S310-K350 PolarHBondContact N-O 3.32Å; S310-K350 PolarHBondContact OG-O 3.1Å; S348-K350 PolarHBondContact O-N 3.21Å; S348-K350 VanDerWaalsContact O-N 3.1Å
351K83.5Confident85.6Confident42 Ų4252.8 Ų52.818%0.18328%0.276CS..G310 helixtrans-91.9-1.9175.4-71.4-173.7170.5177.70113.7C305 M307 E309 T347 S348 R349C305-K351 PolarHBondContact O-NZ 3.34Å; M307-K351 HydrophobicContact CB-CB 4.22Å; M307-K351 WeakPolarHBondContact CE-O 3.22Å; M307-K351 WeakPolarHBondContact O-CD 3.42Å; M307-K351 VanDerWaalsContact O-CE 3.24Å; M307-K351 WeakPolarHBondContact O-CE 3.33Å; E309-K351 HydrophobicContact CG-CD 4.21Å; E309-K351 HydrophobicContact CG-CG 3.66Å; E309-K351 WeakPolarHBondContact OE1-CE 3.38Å; E309-K351 IonicContact OE1-NZ 2.7Å; T347-K351 HydrophobicContact CG2-CB 3.83Å; T347-K351 HydrophobicContact CG2-CD 4.4Å; S348-K351 PolarHBondContact O-N 3.28Å; R349-K351 PolarHBondContact O-N 2.84Å
352M84.6Confident85.2Confident17 Ų1755 Ų558%0.08429%0.285CS..SBendtrans-93.5124.6179.9-66.8-69.216700110.6V304 N344 T347 R349 F384 I385V304-M352 HydrophobicContact CB-CE 4.49Å; V304-M352 HydrophobicContact CG1-CE 3.71Å; V304-M352 HydrophobicContact CG1-SD 4.28Å; N344-M352 WeakPolarHBondContact OD1-CE 3.31Å; T347-M352 HydrophobicContact CG2-CE 4.01Å; R349-M352 WeakPolarHBondContact O-CB 3.38Å; R349-M352 PolarHBondContact O-N 2.8Å; M352-F384 HydrophobicContact CB-CE1 4.18Å; M352-F384 HydrophobicContact CG-CD1 4.36Å; M352-F384 HydrophobicContact CG-CE1 4.42Å; M352-I385 HydrophobicContact CE-CD1 3.92Å; M352-I385 HydrophobicContact SD-CD1 4.38Å
353P83.3Confident84.8Confident7 Ų758.4 Ų58.45%0.04530%0.302CS..PPolyproline II helixtrans-66.9160.2172.926.1-32.5000111.8M307 Y315 M319 W357 L358M307-P353 HydrophobicContact CE-CG 4.18Å; Y315-P353 WeakPolarHBondContact OH-CA 3.28Å; M319-P353 HydrophobicContact CE-CB 3.78Å; M319-P353 HydrophobicContact CE-CG 3.75Å; P353-W357 HydrophobicContact CB-CB 4.43Å; P353-W357 HydrophobicContact CB-CD2 3.89Å; P353-W357 HydrophobicContact CB-CE3 3.37Å; P353-W357 HydrophobicContact CB-CG 4.37Å; P353-W357 HydrophobicContact CB-CZ3 3.9Å; P353-W357 HydrophobicContact CG-CD2 4.44Å; P353-W357 HydrophobicContact CG-CE3 3.46Å; P353-W357 VanDerWaalsContact CG-CE3 3.46Å; P353-W357 HydrophobicContact CG-CZ3 3.55Å; P353-L358 HydrophobicContact CG-CD1 4.23Å; P353-L358 HydrophobicContact CG-CD2 3.75Å; P353-L358 HydrophobicContact CG-CG 3.88Å
354A86.1Confident84.5Confident70 Ų7063.8 Ų63.858%0.57933%0.328SS*.PPolyproline II helixtrans-61.3151177.400000112.4G356 W357 L358A354-G356 VanDerWaalsContact C-N 3.29Å; A354-G356 PolarHBondContact O-N 2.82Å; A354-W357 WeakPolarHBondContact O-CB 3.36Å; A354-W357 PolarHBondContact O-N 3.48Å; A354-L358 PolarHBondContact O-N 3.36Å
355V84.8Confident84.4Confident69 Ų6965 Ų6542%0.41833%0.334SS..Hα-helixtrans-57.4-41.3-178.9178.70000111.9W357 L358 R359 F384 L388V355-W357 VanDerWaalsContact C-N 3.31Å; V355-W357 PolarHBondContact O-N 3.19Å; V355-L358 PolarHBondContact O-N 3.22Å; V355-R359 PolarHBondContact O-N 3.38Å; V355-F384 HydrophobicContact CG2-CE2 3.93Å; V355-F384 HydrophobicContact CG2-CZ 3.95Å; V355-L388 HydrophobicContact CB-CD1 4.37Å; V355-L388 HydrophobicContact CG1-CD1 3.69Å; V355-L388 HydrophobicContact CG2-CD1 4.07Å
356G85.8Confident84.8Confident45 Ų4567.4 Ų67.446%0.46435%0.346SS..Hα-helixtrans-62.6-34.4176.100000113.6A354 K360A354-G356 VanDerWaalsContact C-N 3.29Å; A354-G356 PolarHBondContact O-N 2.82Å; G356-K360 WeakPolarHBondContact O-CG 3.4Å; G356-K360 PolarHBondContact O-N 3.25Å; G356-K360 VanDerWaalsContact O-N 3.1Å
357W88.2Confident85.4Confident49 Ų4972.8 Ų72.819%0.18636%0.355CS..Hα-helixtrans-70.3-43.3174.5-174.492.2000111.1M319 D320 F323 P353 A354 V355 R359 K360 C361M319-W357 HydrophobicContact CB-CZ2 3.95Å; M319-W357 HydrophobicContact CE-CE3 4.32Å; M319-W357 HydrophobicContact CE-CH2 3.44Å; M319-W357 VanDerWaalsContact CE-CH2 3.44Å; M319-W357 HydrophobicContact CE-CZ2 3.86Å; M319-W357 HydrophobicContact CE-CZ3 3.71Å; D320-W357 PolarHBondContact OD1-NE1 2.7Å; F323-W357 HydrophobicContact CB-CH2 3.8Å; F323-W357 HydrophobicContact CB-CZ2 3.67Å; F323-W357 HydrophobicContact CD2-CH2 4.11Å; F323-W357 HydrophobicContact CG-CH2 4.14Å; F323-W357 HydrophobicContact CG-CZ2 4.18Å; P353-W357 HydrophobicContact CB-CB 4.43Å; P353-W357 HydrophobicContact CB-CD2 3.89Å; P353-W357 HydrophobicContact CB-CE3 3.37Å; P353-W357 HydrophobicContact CB-CG 4.37Å; P353-W357 HydrophobicContact CB-CZ3 3.9Å; P353-W357 HydrophobicContact CG-CD2 4.44Å; P353-W357 HydrophobicContact CG-CE3 3.46Å; P353-W357 VanDerWaalsContact CG-CE3 3.46Å; P353-W357 HydrophobicContact CG-CZ3 3.55Å; A354-W357 WeakPolarHBondContact O-CB 3.36Å; A354-W357 PolarHBondContact O-N 3.48Å; V355-W357 VanDerWaalsContact C-N 3.31Å; V355-W357 PolarHBondContact O-N 3.19Å; W357-R359 VanDerWaalsContact C-N 3.3Å; W357-R359 PolarHBondContact O-N 3.19Å; W357-K360 PolarHBondContact O-N 2.97Å; W357-C361 HydrophobicContact CE3-CB 4.48Å; W357-C361 WeakPolarHBondContact CH2-SG 3.01Å; W357-C361 WeakPolarHBondContact CZ2-SG 3.22Å; W357-C361 HydrophobicContact CZ3-CB 4.4Å; W357-C361 WeakPolarHBondContact CZ3-SG 3.46Å; W357-C361 WeakPolarHBondContact O-CB 3.4Å; W357-C361 PolarHBondContact O-N 2.98Å; W357-C361 PolarHBondContact O-SG 3.46Å
358L87.7Confident85.8Confident54 Ų5475.7 Ų75.728%0.28336%0.363SS..Hα-helixtrans-61.4-36.8175.5-71.1168.1000112.5P353 A354 V355 Y362 L388P353-L358 HydrophobicContact CG-CD1 4.23Å; P353-L358 HydrophobicContact CG-CD2 3.75Å; P353-L358 HydrophobicContact CG-CG 3.88Å; A354-L358 PolarHBondContact O-N 3.36Å; V355-L358 PolarHBondContact O-N 3.22Å; L358-Y362 PolarHBondContact O-N 3.42Å; L358-L388 HydrophobicContact CD1-CD2 3.53Å
359R85.1Confident86.3Confident142 Ų14272.6 Ų72.654%0.53634%0.342SS..Hα-helixtrans-62.8-49.5172.2-176.4179.3178.7-176.90.2111.6V355 W357 C361 Y362 Q363V355-R359 PolarHBondContact O-N 3.38Å; W357-R359 VanDerWaalsContact C-N 3.3Å; W357-R359 PolarHBondContact O-N 3.19Å; R359-C361 VanDerWaalsContact C-N 3.33Å; R359-C361 PolarHBondContact O-N 3.27Å; R359-Y362 PolarHBondContact O-N 2.95Å; R359-Q363 WeakPolarHBondContact O-CG 3.39Å; R359-Q363 PolarHBondContact O-N 3.33Å; R359-Q363 VanDerWaalsContact O-N 3.13Å
360K87.1Confident86.6Confident139 Ų13969.3 Ų69.360%0.60433%0.329SS*.Hα-helixtrans-59.9-42.5176.6-73-179.4179.5-172.30111.6G356 W357 Q363 Q364G356-K360 WeakPolarHBondContact O-CG 3.4Å; G356-K360 PolarHBondContact O-N 3.25Å; G356-K360 VanDerWaalsContact O-N 3.1Å; W357-K360 PolarHBondContact O-N 2.97Å; K360-Q363 WeakPolarHBondContact O-CB 2.96Å; K360-Q363 PolarHBondContact O-N 3.49Å; K360-Q364 WeakPolarHBondContact O-CG 3.38Å; K360-Q364 PolarHBondContact O-N 3.43Å
361C88.1Confident86.9Confident6 Ų668.7 Ų68.74%0.04133%0.327CS..Hα-helixtrans-58.4-52174.9-72.30000111.8F323 W357 R359 Q363 Q364 I365F323-C361 HydrophobicContact CD2-CB 3.99Å; F323-C361 HydrophobicContact CE1-CB 4.16Å; F323-C361 HydrophobicContact CE2-CB 3.47Å; F323-C361 VanDerWaalsContact CE2-CB 3.47Å; F323-C361 HydrophobicContact CZ-CB 3.57Å; F323-C361 WeakPolarHBondContact CZ-O 3.37Å; W357-C361 HydrophobicContact CE3-CB 4.48Å; W357-C361 WeakPolarHBondContact CH2-SG 3.01Å; W357-C361 WeakPolarHBondContact CZ2-SG 3.22Å; W357-C361 HydrophobicContact CZ3-CB 4.4Å; W357-C361 WeakPolarHBondContact CZ3-SG 3.46Å; W357-C361 WeakPolarHBondContact O-CB 3.4Å; W357-C361 PolarHBondContact O-N 2.98Å; W357-C361 PolarHBondContact O-SG 3.46Å; R359-C361 VanDerWaalsContact C-N 3.33Å; R359-C361 PolarHBondContact O-N 3.27Å; C361-Q363 PolarHBondContact O-N 3.07Å; C361-Q364 CarbonylContact O-C 3.5Å; C361-Q364 PolarHBondContact O-N 3.37Å; C361-I365 VanDerWaalsContact O-CG1 3.27Å; C361-I365 WeakPolarHBondContact O-CG1 3.36Å; C361-I365 PolarHBondContact O-N 3.48Å
362Y86.9Confident87.2Confident47 Ų4768.3 Ų68.318%0.18433%0.327CS..Hα-helixtrans-58.5-32.2178.1176-99.6000113.3L358 R359 R370 I396 F400L358-Y362 PolarHBondContact O-N 3.42Å; R359-Y362 PolarHBondContact O-N 2.95Å; Y362-R370 HydrophobicContact CE2-CG 4.36Å; Y362-I396 HydrophobicContact CD1-CG1 4.46Å; Y362-I396 HydrophobicContact CE1-CG1 4.11Å; Y362-I396 HydrophobicContact CE2-CG1 4.49Å; Y362-F400 HydrophobicContact CE2-CD2 4.33Å; Y362-F400 HydrophobicContact CE2-CE2 4.32Å; Y362-F400 HydrophobicContact CE2-CG 4.48Å; Y362-F400 HydrophobicContact CE2-CZ 4.48Å
363Q86.8Confident87.5Confident116 Ų11667.7 Ų67.754%0.54232%0.324SS..Hα-helixtrans-71-38.4173.7-69.8170.1-35.600112.4R359 K360 C361 I365R359-Q363 WeakPolarHBondContact O-CG 3.39Å; R359-Q363 PolarHBondContact O-N 3.33Å; R359-Q363 VanDerWaalsContact O-N 3.13Å; K360-Q363 WeakPolarHBondContact O-CB 2.96Å; K360-Q363 PolarHBondContact O-N 3.49Å; C361-Q363 PolarHBondContact O-N 3.07Å; Q363-I365 VanDerWaalsContact C-N 3.34Å
364Q86.3Confident87.9Confident113 Ų11372.3 Ų72.353%0.52834%0.343SS..Hα-helixtrans-73.3-17.4176.3-73.3178.4-1600114.2F323 K360 C361 D366F323-Q364 HydrophobicContact CE1-CB 3.86Å; F323-Q364 VanDerWaalsContact CE1-OE1 3.3Å; F323-Q364 HydrophobicContact CZ-CB 4.27Å; K360-Q364 WeakPolarHBondContact O-CG 3.38Å; K360-Q364 PolarHBondContact O-N 3.43Å; C361-Q364 CarbonylContact O-C 3.5Å; C361-Q364 PolarHBondContact O-N 3.37Å; Q364-D366 PolarHBondContact O-N 2.96Å
365I88.8Confident88.3Confident34 Ų3469.2 Ų69.217%0.17432%0.317CS..SBendtrans-68.3124.2173.5-49.9-168.8000109.4F323 I327 C361 Q363 L369 R370F323-I365 HydrophobicContact CZ-CG1 4.14Å; I327-I365 HydrophobicContact CD1-CD1 4.06Å; I327-I365 HydrophobicContact CD1-CG1 3.83Å; I327-I365 HydrophobicContact CD1-CG2 4.44Å; C361-I365 VanDerWaalsContact O-CG1 3.27Å; C361-I365 WeakPolarHBondContact O-CG1 3.36Å; C361-I365 PolarHBondContact O-N 3.48Å; Q363-I365 VanDerWaalsContact C-N 3.34Å; I365-L369 HydrophobicContact CG2-CB 3.77Å; I365-L369 HydrophobicContact CG2-CD1 4.02Å; I365-R370 HydrophobicContact CB-CG 4.19Å; I365-R370 HydrophobicContact CG2-CG 3.88Å; I365-R370 PolarHBondContact O-NE 3.23Å; I365-R370 PolarHBondContact O-NH2 3.24Å
366D88.4Confident88.8Confident51 Ų5167 Ų6727%0.27330%0.303SS..  trans-52.9144.8174.7179.525.7000112.3Q364 R368 L369 R370Q364-D366 PolarHBondContact O-N 2.96Å; D366-R368 PolarHBondContact O-N 3.24Å; D366-R368 PolarHBondContact OD1-N 3.13Å; D366-R368 WeakPolarHBondContact OD2-CB 3.18Å; D366-R368 PolarHBondContact OD2-N 3.36Å; D366-L369 PolarHBondContact O-N 3.48Å; D366-R370 PolarHBondContact O-N 3.14Å
367R87.1Confident89.2Confident166 Ų16664.9 Ų64.963%0.62628%0.281SS*.Hα-helixtrans-56-32.8174.5-173.7178.9-177.6-1319.9111.5K371R367-K371 HydrophobicContact CG-CD 4.38Å; R367-K371 WeakPolarHBondContact O-CB 3.45Å; R367-K371 VanDerWaalsContact O-CG 3.31Å; R367-K371 WeakPolarHBondContact O-CG 3.3Å; R367-K371 PolarHBondContact O-N 3.45Å
368R88.1Confident89.5Confident89 Ų8962.8 Ų62.834%0.33627%0.273SS..Hα-helixtrans-60.2-56.1175.5-169.9170.36697.5-10.5111.3E331 V334 D366 R370 K371 N372E331-R368 IonicContact OE1-NH2 2.94Å; E331-R368 PolarHBondContact OE1-NH2 2.89Å; E331-R368 VanDerWaalsContact OE1-NH2 3.15Å; V334-R368 PolarHBondContact O-NH1 3.47Å; D366-R368 PolarHBondContact O-N 3.24Å; D366-R368 PolarHBondContact OD1-N 3.13Å; D366-R368 WeakPolarHBondContact OD2-CB 3.18Å; D366-R368 PolarHBondContact OD2-N 3.36Å; R368-R370 VanDerWaalsContact C-N 3.34Å; R368-R370 PolarHBondContact O-N 3.46Å; R368-K371 WeakPolarHBondContact O-CB 3.33Å; R368-K371 PolarHBondContact O-N 3.39Å; R368-K371 VanDerWaalsContact O-N 3.08Å; R368-N372 WeakPolarHBondContact O-CB 3.25Å; R368-N372 PolarHBondContact O-N 2.81Å; R368-N372 PolarHBondContact O-OD1 2.91Å
369L89.4Confident89.9Confident0 Ų060.2 Ų60.20%026%0.26CS..Hα-helixtrans-56.9-45.5179.2-60.9177.6000111.7I327 L330 V334 Y338 I365 D366 K371 N372 L373I327-L369 HydrophobicContact CG2-CD1 4.04Å; L330-L369 HydrophobicContact CB-CD1 4.32Å; L330-L369 HydrophobicContact CB-CD2 4.47Å; V334-L369 HydrophobicContact CB-CD2 3.83Å; V334-L369 HydrophobicContact CG1-CD2 3.91Å; V334-L369 HydrophobicContact CG2-CD2 4.14Å; Y338-L369 WeakPolarHBondContact CE1-O 3.47Å; Y338-L369 PolarHBondContact OH-O 3.19Å; I365-L369 HydrophobicContact CG2-CB 3.77Å; I365-L369 HydrophobicContact CG2-CD1 4.02Å; D366-L369 PolarHBondContact O-N 3.48Å; L369-K371 VanDerWaalsContact C-N 3.31Å; L369-K371 PolarHBondContact O-N 3.38Å; L369-N372 PolarHBondContact O-N 3.15Å; L369-L373 PolarHBondContact O-N 3.34Å
370R89.4Confident90.2Very high71 Ų7153.8 Ų53.827%0.26824%0.236SC..Hα-helixtrans-63.3-32.2177.7-71.7-178-78.3164.5-9.3113.7Y362 I365 D366 R368 K403Y362-R370 HydrophobicContact CE2-CG 4.36Å; I365-R370 HydrophobicContact CB-CG 4.19Å; I365-R370 HydrophobicContact CG2-CG 3.88Å; I365-R370 PolarHBondContact O-NE 3.23Å; I365-R370 PolarHBondContact O-NH2 3.24Å; D366-R370 PolarHBondContact O-N 3.14Å; R368-R370 VanDerWaalsContact C-N 3.34Å; R368-R370 PolarHBondContact O-N 3.46Å; R370-K403 PolarHBondContact O-NZ 3.06Å
371K88.6Confident90.4Very high116 Ų11647.6 Ų47.650%0.50421%0.209SC..Hα-helixtrans-72.9-50.7174-78.7177.3172.1-170.90111.6R367 R368 L369 L373 K403R367-K371 HydrophobicContact CG-CD 4.38Å; R367-K371 WeakPolarHBondContact O-CB 3.45Å; R367-K371 VanDerWaalsContact O-CG 3.31Å; R367-K371 WeakPolarHBondContact O-CG 3.3Å; R367-K371 PolarHBondContact O-N 3.45Å; R368-K371 WeakPolarHBondContact O-CB 3.33Å; R368-K371 PolarHBondContact O-N 3.39Å; R368-K371 VanDerWaalsContact O-N 3.08Å; L369-K371 VanDerWaalsContact C-N 3.31Å; L369-K371 PolarHBondContact O-N 3.38Å; K371-L373 VanDerWaalsContact C-N 3.3Å; K371-L373 PolarHBondContact O-N 2.97Å; K371-K403 PolarHBondContact O-NZ 2.8Å
372N89.7Confident90.4Very high34 Ų3448.6 Ų48.618%0.18222%0.217CC..Hα-helixtrans-70.2-20.3-172.8-74.627.5000114.3V334 E336 N337 Y338 R368 L369 K374V334-N372 HydrophobicContact CG1-CB 3.88Å; E336-N372 VanDerWaalsContact O-CB 3.24Å; E336-N372 WeakPolarHBondContact O-CB 3.36Å; E336-N372 PolarHBondContact O-ND2 3.23Å; N337-N372 WeakPolarHBondContact CA-O 3.29Å; Y338-N372 HydrophobicContact CD1-CB 4.09Å; Y338-N372 HydrophobicContact CE1-CB 4.04Å; Y338-N372 PolarHBondContact N-O 2.89Å; Y338-N372 VanDerWaalsContact N-O 3.12Å; R368-N372 WeakPolarHBondContact O-CB 3.25Å; R368-N372 PolarHBondContact O-N 2.81Å; R368-N372 PolarHBondContact O-OD1 2.91Å; L369-N372 PolarHBondContact O-N 3.15Å; N372-K374 PolarHBondContact O-N 2.81Å; N372-K374 VanDerWaalsContact O-N 3.13Å
373L92.6Very high90.5Very high4 Ų456 Ų562%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-58.5117.6171.8-179.566000110.4Y338 I340 L369 K371 S375 L376 F400 K403Y338-L373 HydrophobicContact CD2-CD1 4.15Å; Y338-L373 HydrophobicContact CE1-CB 3.89Å; Y338-L373 HydrophobicContact CE1-CD1 4.45Å; Y338-L373 VanDerWaalsContact CE1-N 3.29Å; Y338-L373 HydrophobicContact CE2-CD1 3.81Å; Y338-L373 CarbonylContact O-C 3.6Å; I340-L373 HydrophobicContact CB-CD1 4.16Å; I340-L373 HydrophobicContact CD1-CD1 3.79Å; I340-L373 HydrophobicContact CG1-CD1 3.68Å; L369-L373 PolarHBondContact O-N 3.34Å; K371-L373 VanDerWaalsContact C-N 3.3Å; K371-L373 PolarHBondContact O-N 2.97Å; L373-S375 WeakPolarHBondContact CD1-O 3.12Å; L373-L376 HydrophobicContact CD2-CB 4.28Å; L373-F400 HydrophobicContact CD2-CD2 4.25Å; L373-F400 HydrophobicContact CD2-CE2 3.51Å; L373-F400 HydrophobicContact CD2-CZ 4Å; L373-K403 HydrophobicContact CB-CD 4.48Å; L373-K403 HydrophobicContact CG-CD 4.44Å; L373-K403 WeakPolarHBondContact O-CD 3.28Å; L373-K403 WeakPolarHBondContact O-CE 3.28Å; L373-K403 PolarHBondContact O-NZ 3.25Å
374K92Very high90.5Very high103 Ų10351.8 Ų51.845%0.44822%0.224SC..EExtended strand (participates in β ladder)trans-81.7-44.4176.9-174.5177.4-178179.10111.7Y338 M339 N372Y338-K374 WeakPolarHBondContact O-CB 3.25Å; Y338-K374 PolarHBondContact O-N 3.23Å; M339-K374 HydrophobicContact CG-CB 4.1Å; M339-K374 HydrophobicContact SD-CD 4.43Å; N372-K374 PolarHBondContact O-N 2.81Å; N372-K374 VanDerWaalsContact O-N 3.13Å
375S93.1Very high90.7Very high6 Ų646.8 Ų46.84%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-153.7144.2177.5-164.60000111.7M339 I340 L373 K403M339-S375 WeakPolarHBondContact CA-O 3.22Å; I340-S375 PolarHBondContact N-O 3.08Å; L373-S375 WeakPolarHBondContact CD1-O 3.12Å; S375-K403 CarbonylContact C-O 3.55Å; S375-K403 WeakPolarHBondContact CA-O 3.42Å; S375-K403 PolarHBondContact OG-O 2.84Å; S375-K403 VanDerWaalsContact OG-O 3.04Å
376L94.7Very high90.8Very high22 Ų2248.6 Ų48.612%0.11521%0.206CC..EExtended strand (participates in β ladder)trans-110.4103.1168.9173.759.4000108.1I340 L373 I378 F400 K403 V404 K405I340-L376 HydrophobicContact CB-CD1 3.7Å; I340-L376 HydrophobicContact CG2-CD1 3.51Å; I340-L376 CarbonylContact O-C 3.53Å; I340-L376 WeakPolarHBondContact O-CA 3.36Å; L373-L376 HydrophobicContact CD2-CB 4.28Å; L376-I378 HydrophobicContact CD1-CG1 4.46Å; L376-I378 HydrophobicContact CD2-CD1 4.35Å; L376-I378 HydrophobicContact CG-CD1 4.37Å; L376-I378 HydrophobicContact CG-CG1 4.07Å; L376-F400 HydrophobicContact CD2-CE1 4.43Å; L376-F400 HydrophobicContact CD2-CZ 4.27Å; L376-K403 PolarHBondContact N-O 3.46Å; L376-V404 HydrophobicContact CD2-CG2 4.32Å; L376-V404 CarbonylContact O-C 3.58Å; L376-V404 WeakPolarHBondContact O-CA 3.09Å; L376-K405 PolarHBondContact O-N 2.95Å
377I95.2Very high90.9Very high1 Ų148.5 Ų48.51%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-93.5112.8-179.7-61.1169.2000108.3M339 I340 V341 Y342 V379 K405 V407 L413 L416 V417M339-I377 HydrophobicContact CE-CD1 3.63Å; I340-I377 PolarHBondContact O-N 2.91Å; V341-I377 CarbonylContact C-O 3.59Å; Y342-I377 PolarHBondContact N-O 3.34Å; I377-V379 HydrophobicContact CG2-CG2 4.09Å; I377-K405 HydrophobicContact CG1-CB 4.42Å; I377-V407 HydrophobicContact CG2-CB 4.17Å; I377-V407 HydrophobicContact CG2-CG2 3.62Å; I377-L413 HydrophobicContact CG2-CD1 3.87Å; I377-L416 HydrophobicContact CD1-CB 4.14Å; I377-L416 HydrophobicContact CD1-CD1 4.33Å; I377-V417 HydrophobicContact CD1-CG2 3.6Å
378I95.1Very high90.9Very high4 Ų441.6 Ų41.62%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-100.4108.6-179.2-60.7176.9000108.8Y342 L376 P381 I385 L389 V404 K405 Y406 V407Y342-I378 HydrophobicContact CD1-CG2 4.11Å; L376-I378 HydrophobicContact CD1-CG1 4.46Å; L376-I378 HydrophobicContact CD2-CD1 4.35Å; L376-I378 HydrophobicContact CG-CD1 4.37Å; L376-I378 HydrophobicContact CG-CG1 4.07Å; I378-P381 HydrophobicContact CG2-CB 3.78Å; I378-P381 HydrophobicContact CG2-CG 4.03Å; I378-I385 HydrophobicContact CD1-CG2 4.1Å; I378-I385 HydrophobicContact CG2-CG2 4.21Å; I378-L389 HydrophobicContact CD1-CD1 3.41Å; I378-L389 VanDerWaalsContact CD1-CD1 3.41Å; I378-V404 HydrophobicContact CD1-CG1 3.75Å; I378-V404 HydrophobicContact CG1-CG1 4.44Å; I378-K405 PolarHBondContact N-O 3.4Å; I378-Y406 HydrophobicContact CB-CD1 4.05Å; I378-Y406 HydrophobicContact CB-CE1 4.47Å; I378-Y406 HydrophobicContact CD1-CD1 4.4Å; I378-Y406 HydrophobicContact CD1-CE1 3.99Å; I378-Y406 HydrophobicContact CG2-CD1 4.34Å; I378-V407 PolarHBondContact O-N 3.05Å
379V94.5Very high90.9Very high0 Ų039 Ų390%018%0.175CC..EExtended strand (participates in β ladder)trans-93.7128-175.2-176.10000109.8V341 Y342 L343 N344 I377 V407 L410 L413V341-V379 HydrophobicContact CG1-CG2 3.97Å; Y342-V379 PolarHBondContact O-N 3.4Å; L343-V379 HydrophobicContact CD2-CB 3.82Å; L343-V379 HydrophobicContact CD2-CG1 4.11Å; L343-V379 HydrophobicContact CD2-CG2 3.82Å; N344-V379 WeakPolarHBondContact CB-O 3.48Å; N344-V379 PolarHBondContact N-O 3.31Å; I377-V379 HydrophobicContact CG2-CG2 4.09Å; V379-V407 HydrophobicContact CG1-CG1 4.43Å; V379-V407 HydrophobicContact CG2-CB 4.37Å; V379-V407 HydrophobicContact CG2-CG1 4.36Å; V379-L410 HydrophobicContact CG1-CD2 3.76Å; V379-L413 HydrophobicContact CG2-CD1 3.87Å; V379-L413 HydrophobicContact CG2-CD2 4.03Å; V379-L413 HydrophobicContact CG2-CG 4.37Å
380H92.3Very high90.9Very high8 Ų842.1 Ų42.14%0.03720%0.201CC..SBendtrans49.760.6-170.5-54.2-51.6000113.8N344 S382 V407 Y408 F431 D432N344-H380 WeakPolarHBondContact CB-O 3.23Å; N344-H380 PolarHBondContact ND2-O 3.29Å; H380-S382 PolarHBondContact O-N 3.25Å; H380-V407 PolarHBondContact N-O 2.93Å; H380-Y408 PolarHBondContact CE1-O 2.88Å; H380-Y408 PolarHBondContact ND1-O 3.08Å; H380-F431 HydrophobicContact CB-CD1 4.47Å; H380-F431 HydrophobicContact CB-CE1 3.91Å; H380-F431 AromaticContact CD2-CD1 3.73Å; H380-F431 AromaticContact CD2-CE1 3.99Å; H380-F431 AromaticContact CG-CE1 3.8Å; H380-D432 IonicContact CE1-OD1 3.99Å; H380-D432 PolarHBondContact CE1-OD1 2.81Å; H380-D432 IonicContact NE2-OD1 3.88Å
381P91.2Very high90.8Very high8 Ų844.5 Ų44.55%0.05222%0.218CC..  trans-57.3133.4-178-2.14.9000111.2I378 R386 Y406 V407I378-P381 HydrophobicContact CG2-CB 3.78Å; I378-P381 HydrophobicContact CG2-CG 4.03Å; P381-R386 HydrophobicContact CB-CG 4.13Å; P381-R386 PolarHBondContact O-NH1 3.41Å; P381-R386 PolarHBondContact O-NH2 2.78Å; P381-Y406 HydrophobicContact CB-CD1 4.04Å; P381-Y406 HydrophobicContact CB-CE1 4.49Å; P381-Y406 HydrophobicContact CG-CD1 3.65Å; P381-Y406 HydrophobicContact CG-CG 4.14Å; P381-V407 VanDerWaalsContact CD-O 3.27Å; P381-V407 WeakPolarHBondContact CD-O 3.26Å
382S89.3Confident90.4Very high28 Ų2840.3 Ų40.320%0.19620%0.203CC..  trans-73.4158.3168.761.40000110.3N344 H380 F384 I385 R386N344-S382 WeakPolarHBondContact ND2-CB 3.45Å; N344-S382 PolarHBondContact ND2-N 2.84Å; N344-S382 VanDerWaalsContact ND2-N 3.1Å; H380-S382 PolarHBondContact O-N 3.25Å; S382-F384 PolarHBondContact O-N 3.36Å; S382-I385 PolarHBondContact O-N 2.65Å; S382-I385 WeakPolarHBondContact OG-CG1 3.27Å; S382-I385 PolarHBondContact OG-N 2.85Å; S382-R386 PolarHBondContact O-N 2.77Å; S382-R386 PolarHBondContact O-NH1 3.25Å
383W88.3Confident90.1Very high202 Ų20244.8 Ų44.877%0.76522%0.22SC*.Hα-helixtrans-55.6-43.5172.9179.976.1000111.2I385 R386 T387W383-I385 PolarHBondContact O-N 3.36Å; W383-R386 PolarHBondContact O-N 2.88Å; W383-T387 PolarHBondContact O-N 2.82Å; W383-T387 PolarHBondContact O-OG1 3.37Å; W383-T387 VanDerWaalsContact O-OG1 3.1Å
384F87.3Confident89.4Confident27 Ų2749.5 Ų49.512%0.11825%0.251CS..Hα-helixtrans-54.4-46.9174.7172.8-109.5000113.5R349 M352 V355 S382 R386 T387 L388R349-F384 VanDerWaalsContact CZ-CD2 3.47Å; R349-F384 VanDerWaalsContact CZ-CG 3.41Å; M352-F384 HydrophobicContact CB-CE1 4.18Å; M352-F384 HydrophobicContact CG-CD1 4.36Å; M352-F384 HydrophobicContact CG-CE1 4.42Å; V355-F384 HydrophobicContact CG2-CE2 3.93Å; V355-F384 HydrophobicContact CG2-CZ 3.95Å; S382-F384 PolarHBondContact O-N 3.36Å; F384-R386 VanDerWaalsContact C-N 3.35Å; F384-R386 PolarHBondContact O-N 3.1Å; F384-T387 PolarHBondContact O-N 2.71Å; F384-L388 HydrophobicContact CE1-CD2 4.12Å; F384-L388 HydrophobicContact CZ-CD2 4.24Å; F384-L388 WeakPolarHBondContact O-CB 3.45Å; F384-L388 PolarHBondContact O-N 3.25Å
385I89.1Confident88.7Confident9 Ų951.2 Ų51.25%0.04626%0.259CS..Hα-helixtrans-66.5-38.2-179-71.7174.9000111.3Y342 N344 M352 I378 S382 W383 L389Y342-I385 HydrophobicContact CD1-CD1 4.46Å; Y342-I385 HydrophobicContact CE1-CD1 3.46Å; Y342-I385 VanDerWaalsContact CE1-CD1 3.46Å; N344-I385 HydrophobicContact CB-CD1 4.33Å; N344-I385 VanDerWaalsContact OD1-CD1 3.22Å; N344-I385 WeakPolarHBondContact OD1-CD1 3.36Å; M352-I385 HydrophobicContact CE-CD1 3.92Å; M352-I385 HydrophobicContact SD-CD1 4.38Å; I378-I385 HydrophobicContact CD1-CG2 4.1Å; I378-I385 HydrophobicContact CG2-CG2 4.21Å; S382-I385 PolarHBondContact O-N 2.65Å; S382-I385 WeakPolarHBondContact OG-CG1 3.27Å; S382-I385 PolarHBondContact OG-N 2.85Å; W383-I385 PolarHBondContact O-N 3.36Å; I385-L389 HydrophobicContact CG2-CD1 3.62Å; I385-L389 HydrophobicContact CG2-CG 4.37Å; I385-L389 WeakPolarHBondContact O-CB 3.37Å; I385-L389 WeakPolarHBondContact O-CD1 3.42Å; I385-L389 VanDerWaalsContact O-CG 3.31Å; I385-L389 WeakPolarHBondContact O-CG 3.43Å; I385-L389 PolarHBondContact O-N 3.49Å
386R90.8Very high88.1Confident72 Ų7252 Ų5227%0.27226%0.262SS..Hα-helixtrans-60.9-49.8173.3-64.8-172.5-169.475.310.8111.1P381 S382 W383 F384 L389 A390 Y408P381-R386 HydrophobicContact CB-CG 4.13Å; P381-R386 PolarHBondContact O-NH1 3.41Å; P381-R386 PolarHBondContact O-NH2 2.78Å; S382-R386 PolarHBondContact O-N 2.77Å; S382-R386 PolarHBondContact O-NH1 3.25Å; W383-R386 PolarHBondContact O-N 2.88Å; F384-R386 VanDerWaalsContact C-N 3.35Å; F384-R386 PolarHBondContact O-N 3.1Å; R386-L389 PolarHBondContact O-N 2.95Å; R386-A390 WeakPolarHBondContact O-CB 3.45Å; R386-A390 PolarHBondContact O-N 3.11Å; R386-Y408 PolarHBondContact NE-OH 3.48Å; R386-Y408 VanDerWaalsContact NE-OH 3.13Å; R386-Y408 PolarHBondContact NH2-OH 2.78Å
387T90.6Very high87.5Confident48 Ų4854.2 Ų54.229%0.29428%0.28SS..Hα-helixtrans-63-44.1179-54.50000111.6W383 F384 L389 A390 L391W383-T387 PolarHBondContact O-N 2.82Å; W383-T387 PolarHBondContact O-OG1 3.37Å; W383-T387 VanDerWaalsContact O-OG1 3.1Å; F384-T387 PolarHBondContact O-N 2.71Å; T387-L389 PolarHBondContact O-N 3.17Å; T387-A390 PolarHBondContact O-N 3.13Å; T387-L391 HydrophobicContact CG2-CD1 3.88Å; T387-L391 HydrophobicContact CG2-CG 4.3Å; T387-L391 WeakPolarHBondContact O-CB 3.42Å; T387-L391 WeakPolarHBondContact O-CG 3.34Å; T387-L391 PolarHBondContact O-N 2.87Å
388L87.9Confident87Confident22 Ų2257.9 Ų57.912%0.11531%0.305CS..Hα-helixtrans-58.5-49.2176.6173.764.8000111.6V355 L358 F384 A390 L391 T392V355-L388 HydrophobicContact CB-CD1 4.37Å; V355-L388 HydrophobicContact CG1-CD1 3.69Å; V355-L388 HydrophobicContact CG2-CD1 4.07Å; L358-L388 HydrophobicContact CD1-CD2 3.53Å; F384-L388 HydrophobicContact CE1-CD2 4.12Å; F384-L388 HydrophobicContact CZ-CD2 4.24Å; F384-L388 WeakPolarHBondContact O-CB 3.45Å; F384-L388 PolarHBondContact O-N 3.25Å; L388-A390 VanDerWaalsContact C-N 3.3Å; L388-A390 PolarHBondContact O-N 3.14Å; L388-L391 PolarHBondContact O-N 3.28Å; L388-T392 HydrophobicContact CD1-CG2 3.77Å; L388-T392 WeakPolarHBondContact O-CB 3.41Å; L388-T392 WeakPolarHBondContact O-CG2 3.28Å; L388-T392 PolarHBondContact O-N 3.46Å; L388-T392 PolarHBondContact O-OG1 2.81Å
389L88.7Confident86.6Confident35 Ų3565.3 Ų65.318%0.18334%0.337CS..Hα-helixtrans-69.5-28.2-179.8-70.7166.3000112.5I378 I385 R386 T387 K393 V404 Y406I378-L389 HydrophobicContact CD1-CD1 3.41Å; I378-L389 VanDerWaalsContact CD1-CD1 3.41Å; I385-L389 HydrophobicContact CG2-CD1 3.62Å; I385-L389 HydrophobicContact CG2-CG 4.37Å; I385-L389 WeakPolarHBondContact O-CB 3.37Å; I385-L389 WeakPolarHBondContact O-CD1 3.42Å; I385-L389 VanDerWaalsContact O-CG 3.31Å; I385-L389 WeakPolarHBondContact O-CG 3.43Å; I385-L389 PolarHBondContact O-N 3.49Å; R386-L389 PolarHBondContact O-N 2.95Å; T387-L389 PolarHBondContact O-N 3.17Å; L389-K393 WeakPolarHBondContact O-CB 3.48Å; L389-K393 PolarHBondContact O-N 2.9Å; L389-V404 HydrophobicContact CD1-CG1 4.23Å; L389-Y406 HydrophobicContact CD1-CE1 3.91Å; L389-Y406 WeakPolarHBondContact CD1-OH 3.48Å
390A88.3Confident86.2Confident64 Ų6466.7 Ų66.753%0.52934%0.343SS..Hα-helixtrans-69.5-48.1170.300000112.1R386 T387 L388 K393R386-A390 WeakPolarHBondContact O-CB 3.45Å; R386-A390 PolarHBondContact O-N 3.11Å; T387-A390 PolarHBondContact O-N 3.13Å; L388-A390 VanDerWaalsContact C-N 3.3Å; L388-A390 PolarHBondContact O-N 3.14Å; A390-K393 WeakPolarHBondContact O-CB 3.31Å; A390-K393 PolarHBondContact O-N 2.89Å
391L87Confident86Confident121 Ų12167.8 Ų67.863%0.63435%0.352SS*.Hα-helixtrans-70.3-30.7-179.8-68.9175.7000113.5T387 L388 P394T387-L391 HydrophobicContact CG2-CD1 3.88Å; T387-L391 HydrophobicContact CG2-CG 4.3Å; T387-L391 WeakPolarHBondContact O-CB 3.42Å; T387-L391 WeakPolarHBondContact O-CG 3.34Å; T387-L391 PolarHBondContact O-N 2.87Å; L388-L391 PolarHBondContact O-N 3.28Å; L391-P394 WeakPolarHBondContact O-CD 3.44Å
392T81.2Confident86Confident29 Ų2973.9 Ų73.918%0.17838%0.38CS..Hα-helixtrans-86.9-8.6177.154.10000113.5L388 P394 F395 I396L388-T392 HydrophobicContact CD1-CG2 3.77Å; L388-T392 WeakPolarHBondContact O-CB 3.41Å; L388-T392 WeakPolarHBondContact O-CG2 3.28Å; L388-T392 PolarHBondContact O-N 3.46Å; L388-T392 PolarHBondContact O-OG1 2.81Å; T392-P394 VanDerWaalsContact C-CD 3.48Å; T392-F395 PolarHBondContact O-N 2.85Å; T392-I396 WeakPolarHBondContact O-CG1 3.19Å; T392-I396 PolarHBondContact O-N 3.41Å; T392-I396 WeakPolarHBondContact OG1-CD1 3.24Å
393K82.8Confident86.1Confident128 Ų12874.4 Ų74.456%0.55738%0.378SS*.THydrogen-bonded Turntrans-49.4-42.2177.2-165.4173.1-178.8-179.80115.2L389 A390 F395 I396L389-K393 WeakPolarHBondContact O-CB 3.48Å; L389-K393 PolarHBondContact O-N 2.9Å; A390-K393 WeakPolarHBondContact O-CB 3.31Å; A390-K393 PolarHBondContact O-N 2.89Å; K393-F395 VanDerWaalsContact C-N 3.29Å; K393-F395 PolarHBondContact O-N 3.5Å; K393-I396 PolarHBondContact O-N 2.99Å
394P79.1Confident86.4Confident102 Ų10266 Ų6666%0.66235%0.349SS*.THydrogen-bonded Turntrans-69.8-21.7176.425.9-34.7000114.2L391 T392L391-P394 WeakPolarHBondContact O-CD 3.44Å; T392-P394 VanDerWaalsContact C-CD 3.48Å
395F76.2Confident86.7Confident139 Ų13969.6 Ų69.661%0.6137%0.365SS*.THydrogen-bonded Turntrans-96.1-9.9179.9-56-75.1000113.3T392 K393T392-F395 PolarHBondContact O-N 2.85Å; K393-F395 VanDerWaalsContact C-N 3.29Å; K393-F395 PolarHBondContact O-N 3.5Å
396I80.6Confident86.9Confident24 Ų2473.5 Ų73.512%0.12338%0.38CS..SBendtrans-105.2142.2179.2-68.8173.5000107.9Y362 T392 K393 S398 F400Y362-I396 HydrophobicContact CD1-CG1 4.46Å; Y362-I396 HydrophobicContact CE1-CG1 4.11Å; Y362-I396 HydrophobicContact CE2-CG1 4.49Å; T392-I396 WeakPolarHBondContact O-CG1 3.19Å; T392-I396 PolarHBondContact O-N 3.41Å; T392-I396 WeakPolarHBondContact OG1-CD1 3.24Å; K393-I396 PolarHBondContact O-N 2.99Å; I396-S398 PolarHBondContact O-N 3.41Å; I396-F400 HydrophobicContact CG2-CB 3.74Å; I396-F400 HydrophobicContact CG2-CD1 3.44Å; I396-F400 VanDerWaalsContact CG2-CD1 3.44Å; I396-F400 HydrophobicContact CG2-CE1 4.34Å; I396-F400 HydrophobicContact CG2-CG 3.87Å
397S82.7Confident87.1Confident68 Ų6870.3 Ų70.348%0.47637%0.368SS..  trans-57.7136.5178-179.10000110.8K399 F400 S401S397-K399 PolarHBondContact O-N 3.33Å; S397-K399 VanDerWaalsContact O-N 3.16Å; S397-K399 PolarHBondContact OG-N 3.04Å; S397-F400 WeakPolarHBondContact O-CA 3.13Å; S397-F400 WeakPolarHBondContact O-CB 3.41Å; S397-F400 PolarHBondContact O-N 3.1Å; S397-S401 PolarHBondContact O-N 3Å
398S84.1Confident87.1Confident77 Ų7772.9 Ų72.954%0.53837%0.373SS..Hα-helixtrans-51.6-39173.7-178.50000111.7I396 F400 S401 Q402I396-S398 PolarHBondContact O-N 3.41Å; S398-F400 VanDerWaalsContact C-N 3.29Å; S398-F400 PolarHBondContact O-N 3.04Å; S398-S401 PolarHBondContact O-N 2.98Å; S398-Q402 VanDerWaalsContact O-CG 3.31Å; S398-Q402 WeakPolarHBondContact O-CG 3.22Å; S398-Q402 PolarHBondContact O-N 3.21Å; S398-Q402 PolarHBondContact OG-NE2 3.13Å
399K86.1Confident87.3Confident160 Ų16072.3 Ų72.370%0.69637%0.371SS*.Hα-helixtrans-66.9-23.4175.1-65.2-161.9179.1-1750114.2S397 K403S397-K399 PolarHBondContact O-N 3.33Å; S397-K399 VanDerWaalsContact O-N 3.16Å; S397-K399 PolarHBondContact OG-N 3.04Å; K399-K403 WeakPolarHBondContact O-CG 3.34Å
400F87.8Confident87.5Confident29 Ų2971.8 Ų71.813%0.12737%0.368CS..Hα-helixtrans-80.3-41.6170.2-175.8-79.1000111Y362 L373 L376 I396 S397 S398 Q402 K403 V404Y362-F400 HydrophobicContact CE2-CD2 4.33Å; Y362-F400 HydrophobicContact CE2-CE2 4.32Å; Y362-F400 HydrophobicContact CE2-CG 4.48Å; Y362-F400 HydrophobicContact CE2-CZ 4.48Å; L373-F400 HydrophobicContact CD2-CD2 4.25Å; L373-F400 HydrophobicContact CD2-CE2 3.51Å; L373-F400 HydrophobicContact CD2-CZ 4Å; L376-F400 HydrophobicContact CD2-CE1 4.43Å; L376-F400 HydrophobicContact CD2-CZ 4.27Å; I396-F400 HydrophobicContact CG2-CB 3.74Å; I396-F400 HydrophobicContact CG2-CD1 3.44Å; I396-F400 VanDerWaalsContact CG2-CD1 3.44Å; I396-F400 HydrophobicContact CG2-CE1 4.34Å; I396-F400 HydrophobicContact CG2-CG 3.87Å; S397-F400 WeakPolarHBondContact O-CA 3.13Å; S397-F400 WeakPolarHBondContact O-CB 3.41Å; S397-F400 PolarHBondContact O-N 3.1Å; S398-F400 VanDerWaalsContact C-N 3.29Å; S398-F400 PolarHBondContact O-N 3.04Å; F400-Q402 PolarHBondContact O-N 3.23Å; F400-K403 WeakPolarHBondContact O-CB 3.45Å; F400-K403 PolarHBondContact O-N 3Å; F400-V404 HydrophobicContact CD1-CG2 4.49Å; F400-V404 HydrophobicContact CE1-CG2 4.31Å
401S87.2Confident87.6Confident31 Ų3175.7 Ų75.722%0.21737%0.374CS..Hα-helixtrans-57.9-36176.2-62.40000112.3S397 S398 K403 V404S397-S401 PolarHBondContact O-N 3Å; S398-S401 PolarHBondContact O-N 2.98Å; S401-K403 PolarHBondContact O-N 3.31Å; S401-V404 PolarHBondContact O-N 3.1Å
402Q90.6Very high87.9Confident137 Ų13772.8 Ų72.864%0.6436%0.358SS*.THydrogen-bonded Turntrans-66.3-19.7174.5-69.9166.822.900114.3S398 F400 V404S398-Q402 VanDerWaalsContact O-CG 3.31Å; S398-Q402 WeakPolarHBondContact O-CG 3.22Å; S398-Q402 PolarHBondContact O-N 3.21Å; S398-Q402 PolarHBondContact OG-NE2 3.13Å; F400-Q402 PolarHBondContact O-N 3.23Å; Q402-V404 VanDerWaalsContact C-N 3.34Å
403K92.3Very high88.4Confident38 Ų3871.4 Ų71.417%0.16535%0.35CS..THydrogen-bonded Turntrans-80.8-16.5177.3-63.8168.9178.9-162.10112.6R370 K371 L373 S375 L376 K399 F400 S401R370-K403 PolarHBondContact O-NZ 3.06Å; K371-K403 PolarHBondContact O-NZ 2.8Å; L373-K403 HydrophobicContact CB-CD 4.48Å; L373-K403 HydrophobicContact CG-CD 4.44Å; L373-K403 WeakPolarHBondContact O-CD 3.28Å; L373-K403 WeakPolarHBondContact O-CE 3.28Å; L373-K403 PolarHBondContact O-NZ 3.25Å; S375-K403 CarbonylContact C-O 3.55Å; S375-K403 WeakPolarHBondContact CA-O 3.42Å; S375-K403 PolarHBondContact OG-O 2.84Å; S375-K403 VanDerWaalsContact OG-O 3.04Å; L376-K403 PolarHBondContact N-O 3.46Å; K399-K403 WeakPolarHBondContact O-CG 3.34Å; F400-K403 WeakPolarHBondContact O-CB 3.45Å; F400-K403 PolarHBondContact O-N 3Å; S401-K403 PolarHBondContact O-N 3.31Å
404V93.4Very high88.8Confident26 Ų2667.8 Ų67.816%0.15834%0.344CS..EExtended strand (participates in β ladder)trans-80.2121.7-175.8-173.80000110.5L376 I378 L389 F400 S401 Q402 Y406L376-V404 HydrophobicContact CD2-CG2 4.32Å; L376-V404 CarbonylContact O-C 3.58Å; L376-V404 WeakPolarHBondContact O-CA 3.09Å; I378-V404 HydrophobicContact CD1-CG1 3.75Å; I378-V404 HydrophobicContact CG1-CG1 4.44Å; L389-V404 HydrophobicContact CD1-CG1 4.23Å; F400-V404 HydrophobicContact CD1-CG2 4.49Å; F400-V404 HydrophobicContact CE1-CG2 4.31Å; S401-V404 PolarHBondContact O-N 3.1Å; Q402-V404 VanDerWaalsContact C-N 3.34Å; V404-Y406 HydrophobicContact CG1-CE1 4Å
405K94.1Very high89.4Confident102 Ų10270.8 Ų70.844%0.44335%0.349SS..EExtended strand (participates in β ladder)trans-119.1136.7174.3-63.9-174.7179.7-175.40109.6L376 I377 I378L376-K405 PolarHBondContact O-N 2.95Å; I377-K405 HydrophobicContact CG1-CB 4.42Å; I378-K405 PolarHBondContact N-O 3.4Å
406Y94.6Very high90Very high91 Ų9167.2 Ų67.236%0.35734%0.336SS..EExtended strand (participates in β ladder)trans-103.5126.2176.9-60.4-60.9000110.2I378 P381 L389 V404I378-Y406 HydrophobicContact CB-CD1 4.05Å; I378-Y406 HydrophobicContact CB-CE1 4.47Å; I378-Y406 HydrophobicContact CD1-CD1 4.4Å; I378-Y406 HydrophobicContact CD1-CE1 3.99Å; I378-Y406 HydrophobicContact CG2-CD1 4.34Å; P381-Y406 HydrophobicContact CB-CD1 4.04Å; P381-Y406 HydrophobicContact CB-CE1 4.49Å; P381-Y406 HydrophobicContact CG-CD1 3.65Å; P381-Y406 HydrophobicContact CG-CG 4.14Å; L389-Y406 HydrophobicContact CD1-CE1 3.91Å; L389-Y406 WeakPolarHBondContact CD1-OH 3.48Å; V404-Y406 HydrophobicContact CG1-CE1 4Å
407V94.2Very high90.3Very high5 Ų566.2 Ų66.23%0.0333%0.331CS..EExtended strand (participates in β ladder)trans-119.4137-178.7165.10000109.4I377 I378 V379 H380 P381 S409 D412 L413 L416I377-V407 HydrophobicContact CG2-CB 4.17Å; I377-V407 HydrophobicContact CG2-CG2 3.62Å; I378-V407 PolarHBondContact O-N 3.05Å; V379-V407 HydrophobicContact CG1-CG1 4.43Å; V379-V407 HydrophobicContact CG2-CB 4.37Å; V379-V407 HydrophobicContact CG2-CG1 4.36Å; H380-V407 PolarHBondContact N-O 2.93Å; P381-V407 VanDerWaalsContact CD-O 3.27Å; P381-V407 WeakPolarHBondContact CD-O 3.26Å; V407-S409 WeakPolarHBondContact CG1-O 3.46Å; V407-D412 HydrophobicContact CG1-CB 4.08Å; V407-L413 HydrophobicContact CG1-CB 4.09Å; V407-L416 HydrophobicContact CG2-CD1 3.67Å
408Y91.3Very high90.5Very high102 Ų10265.5 Ų65.540%0.433%0.325SS..  trans-112-20-167.5-73.1-98.6000113.6H380 R386 D412 K435H380-Y408 PolarHBondContact CE1-O 2.88Å; H380-Y408 PolarHBondContact ND1-O 3.08Å; R386-Y408 PolarHBondContact NE-OH 3.48Å; R386-Y408 VanDerWaalsContact NE-OH 3.13Å; R386-Y408 PolarHBondContact NH2-OH 2.78Å; Y408-D412 PolarHBondContact N-OD2 3.17Å; Y408-K435 PolarHBondContact O-NZ 2.95Å
409S91.8Very high90.5Very high10 Ų1064.6 Ų64.67%0.0731%0.313CS..SBendtrans-128160.2167.6-173.90000112.1V407 K411 D412 L413 D432V407-S409 WeakPolarHBondContact CG1-O 3.46Å; S409-K411 PolarHBondContact O-N 3.39Å; S409-K411 PolarHBondContact OG-N 2.93Å; S409-D412 WeakPolarHBondContact CB-OD1 3.33Å; S409-D412 PolarHBondContact N-OD2 3.39Å; S409-L413 PolarHBondContact O-N 3.12Å; S409-D432 WeakPolarHBondContact CA-OD1 3.39Å; S409-D432 PolarHBondContact OG-OD1 2.99Å
410L91.9Very high90.1Very high24 Ų2464.7 Ų64.713%0.12632%0.316CS..Hα-helixtrans-65.6-18.5168.7-62.4-176.8000113.2V379 L413 A414 I424 I428 K429 D432V379-L410 HydrophobicContact CG1-CD2 3.76Å; L410-L413 HydrophobicContact CD2-CD2 4.33Å; L410-L413 WeakPolarHBondContact O-CB 3.36Å; L410-L413 PolarHBondContact O-N 2.89Å; L410-A414 PolarHBondContact O-N 2.82Å; L410-I424 HydrophobicContact CD1-CD1 4.02Å; L410-I424 HydrophobicContact CD1-CG2 4.26Å; L410-I424 HydrophobicContact CD2-CD1 3.83Å; L410-I424 HydrophobicContact CG-CD1 4.39Å; L410-I428 HydrophobicContact CD2-CG2 4.22Å; L410-K429 HydrophobicContact CD1-CG 4.29Å; L410-D432 HydrophobicContact CD1-CB 3.77Å; L410-D432 HydrophobicContact CG-CB 3.76Å; L410-D432 PolarHBondContact N-OD1 3.37Å
411K91.9Very high89.6Confident147 Ų14770.9 Ų70.964%0.63934%0.339SS*.Hα-helixtrans-67.8-53.3174.1-64-177.1179.8-176.90111.5S409 L413 A414 E415S409-K411 PolarHBondContact O-N 3.39Å; S409-K411 PolarHBondContact OG-N 2.93Å; K411-L413 PolarHBondContact O-N 3.5Å; K411-L413 VanDerWaalsContact O-N 3.15Å; K411-A414 WeakPolarHBondContact O-CB 3.41Å; K411-A414 PolarHBondContact O-N 2.88Å; K411-E415 PolarHBondContact O-N 3.06Å
412D91.9Very high89.5Confident59 Ų5970 Ų7032%0.31633%0.332SS..Hα-helixtrans-61.1-22.7175.42.4-48.7000112.8V407 Y408 S409 L416V407-D412 HydrophobicContact CG1-CB 4.08Å; Y408-D412 PolarHBondContact N-OD2 3.17Å; S409-D412 WeakPolarHBondContact CB-OD1 3.33Å; S409-D412 PolarHBondContact N-OD2 3.39Å; D412-L416 WeakPolarHBondContact O-CG 3.5Å
413L91.9Very high89.3Confident0 Ų066.7 Ų66.70%033%0.329CS..Hα-helixtrans-69.4-43.1170.2179.265.3000112V341 L343 I377 V379 V407 S409 L410 K411 E415 L416 V417 M419 I424V341-L413 HydrophobicContact CG1-CD1 3.79Å; V341-L413 HydrophobicContact CG1-CD2 4.08Å; V341-L413 HydrophobicContact CG2-CD1 4.26Å; L343-L413 HydrophobicContact CD2-CD2 4.31Å; I377-L413 HydrophobicContact CG2-CD1 3.87Å; V379-L413 HydrophobicContact CG2-CD1 3.87Å; V379-L413 HydrophobicContact CG2-CD2 4.03Å; V379-L413 HydrophobicContact CG2-CG 4.37Å; V407-L413 HydrophobicContact CG1-CB 4.09Å; S409-L413 PolarHBondContact O-N 3.12Å; L410-L413 HydrophobicContact CD2-CD2 4.33Å; L410-L413 WeakPolarHBondContact O-CB 3.36Å; L410-L413 PolarHBondContact O-N 2.89Å; K411-L413 PolarHBondContact O-N 3.5Å; K411-L413 VanDerWaalsContact O-N 3.15Å; L413-E415 VanDerWaalsContact C-N 3.26Å; L413-E415 PolarHBondContact O-N 3.21Å; L413-L416 PolarHBondContact O-N 3.33Å; L413-V417 HydrophobicContact CD1-CG2 4.16Å; L413-V417 PolarHBondContact O-N 2.82Å; L413-M419 HydrophobicContact CD2-SD 4.11Å; L413-M419 HydrophobicContact CG-SD 4.12Å; L413-I424 HydrophobicContact CD2-CD1 4.27Å
414A91.4Very high89.2Confident52 Ų5266 Ų6643%0.4333%0.327SS..Hα-helixtrans-67.4-25.4-177.700000113.2L410 K411 L416 M419L410-A414 PolarHBondContact O-N 2.82Å; K411-A414 WeakPolarHBondContact O-CB 3.41Å; K411-A414 PolarHBondContact O-N 2.88Å; A414-L416 VanDerWaalsContact C-N 3.29Å; A414-M419 HydrophobicContact CB-CG 3.54Å; A414-M419 HydrophobicContact CB-SD 4.41Å
415E91.1Very high89.1Confident166 Ų16665.4 Ų65.478%0.77632%0.324SS*.THydrogen-bonded Turntrans-71.8-23171-65.5177.1-170.400112.9K411 L413K411-E415 PolarHBondContact O-N 3.06Å; L413-E415 VanDerWaalsContact C-N 3.26Å; L413-E415 PolarHBondContact O-N 3.21Å
416L88.3Confident88.9Confident63 Ų6365.5 Ų65.533%0.3333%0.325SS..THydrogen-bonded Turntrans-99.8-24.3-175.7-66.3174.3000113.9I377 V407 D412 L413 A414I377-L416 HydrophobicContact CD1-CB 4.14Å; I377-L416 HydrophobicContact CD1-CD1 4.33Å; V407-L416 HydrophobicContact CG2-CD1 3.67Å; D412-L416 WeakPolarHBondContact O-CG 3.5Å; L413-L416 PolarHBondContact O-N 3.33Å; A414-L416 VanDerWaalsContact C-N 3.29Å
417V88.8Confident88.7Confident3 Ų363.5 Ų63.52%0.01832%0.324CS..SBendtrans-143.9132.4-170.2-174.80000109.8I299 M339 V341 I377 L413 M419 V422I299-V417 HydrophobicContact CD1-CG1 3.69Å; I299-V417 HydrophobicContact CG1-CG1 4.19Å; I299-V417 HydrophobicContact CG2-CG1 3.85Å; M339-V417 HydrophobicContact CE-CG2 3.98Å; V341-V417 HydrophobicContact CG2-CG2 4.11Å; I377-V417 HydrophobicContact CD1-CG2 3.6Å; L413-V417 HydrophobicContact CD1-CG2 4.16Å; L413-V417 PolarHBondContact O-N 2.82Å; V417-M419 PolarHBondContact O-N 3.21Å; V417-V422 HydrophobicContact CG1-CG2 4.13Å
418P85.4Confident88.5Confident53 Ų5363.2 Ų63.234%0.34432%0.323SS..  trans-61.8121.2174.226.2-34.1000110.3I299 E420 V422I299-P418 HydrophobicContact CD1-CG 3.76Å; P418-E420 PolarHBondContact O-N 3.37Å; P418-V422 WeakPolarHBondContact O-CG2 3.42Å
419M83.6Confident88.5Confident58 Ų5862.6 Ų62.629%0.28632%0.322SS..  trans-83.6-8.3-170.2-73.1-56.3-51.900114.9L413 A414 V417 Y421 V422 I424L413-M419 HydrophobicContact CD2-SD 4.11Å; L413-M419 HydrophobicContact CG-SD 4.12Å; A414-M419 HydrophobicContact CB-CG 3.54Å; A414-M419 HydrophobicContact CB-SD 4.41Å; V417-M419 PolarHBondContact O-N 3.21Å; M419-Y421 VanDerWaalsContact C-N 3.25Å; M419-Y421 PolarHBondContact O-N 3.01Å; M419-Y421 VanDerWaalsContact O-N 3.15Å; M419-V422 HydrophobicContact CE-CB 3.67Å; M419-V422 HydrophobicContact CE-CG1 3.67Å; M419-V422 PolarHBondContact O-N 3.2Å; M419-V422 VanDerWaalsContact O-N 3.14Å; M419-V422 HydrophobicContact SD-CB 4.13Å; M419-V422 HydrophobicContact SD-CG1 4.19Å; M419-V422 HydrophobicContact SD-CG2 4.39Å; M419-I424 HydrophobicContact CE-CD1 3.39Å; M419-I424 HydrophobicContact CE-CG1 3.89Å
420E78.3Confident88.5Confident163 Ų16368 Ų6876%0.76235%0.346SS*.THydrogen-bonded Turntrans-55.9-34.9-170-64.3174.4-174.500114P418P418-E420 PolarHBondContact O-N 3.37Å
421Y77.9Confident88.5Confident159 Ų15971.1 Ų71.162%0.62436%0.359SS*.THydrogen-bonded Turntrans-114.84.3-179.1-54.3-75.5000113.2M419 A423M419-Y421 VanDerWaalsContact C-N 3.25Å; M419-Y421 PolarHBondContact O-N 3.01Å; M419-Y421 VanDerWaalsContact O-N 3.15Å; Y421-A423 PolarHBondContact O-N 3.29Å
422V85.8Confident88.5Confident11 Ų1164.8 Ų64.87%0.06733%0.332CS..  trans-8693.3-176.4178.40000109.8G289 V301 V417 P418 M419 I424G289-V422 WeakPolarHBondContact O-CG2 3.36Å; V301-V422 HydrophobicContact CG2-CG1 3.94Å; V417-V422 HydrophobicContact CG1-CG2 4.13Å; P418-V422 WeakPolarHBondContact O-CG2 3.42Å; M419-V422 HydrophobicContact CE-CB 3.67Å; M419-V422 HydrophobicContact CE-CG1 3.67Å; M419-V422 PolarHBondContact O-N 3.2Å; M419-V422 VanDerWaalsContact O-N 3.14Å; M419-V422 HydrophobicContact SD-CB 4.13Å; M419-V422 HydrophobicContact SD-CG1 4.19Å; M419-V422 HydrophobicContact SD-CG2 4.39Å; V422-I424 HydrophobicContact CG1-CG1 4.09Å; V422-I424 PolarHBondContact O-N 2.93Å
423A85.2Confident88.4Confident69 Ų6964.7 Ų64.757%0.5734%0.339SS*.  trans-69.385.9177.900000112.5Y421 P425Y421-A423 PolarHBondContact O-N 3.29Å; A423-P425 WeakPolarHBondContact O-CD 3.25Å
424I90.8Very high88.3Confident22 Ų2267.4 Ų67.411%0.11335%0.352CS..  trans-74125.2173.1-59.7-178.7000110.3L343 L410 L413 M419 V422 I428 K429L343-I424 HydrophobicContact CD1-CG1 4.43Å; L410-I424 HydrophobicContact CD1-CD1 4.02Å; L410-I424 HydrophobicContact CD1-CG2 4.26Å; L410-I424 HydrophobicContact CD2-CD1 3.83Å; L410-I424 HydrophobicContact CG-CD1 4.39Å; L413-I424 HydrophobicContact CD2-CD1 4.27Å; M419-I424 HydrophobicContact CE-CD1 3.39Å; M419-I424 HydrophobicContact CE-CG1 3.89Å; V422-I424 HydrophobicContact CG1-CG1 4.09Å; V422-I424 PolarHBondContact O-N 2.93Å; I424-I428 HydrophobicContact CG2-CB 4.01Å; I424-I428 HydrophobicContact CG2-CG2 3.83Å; I424-K429 HydrophobicContact CB-CG 4.4Å; I424-K429 HydrophobicContact CG2-CG 3.77Å; I424-K429 VanDerWaalsContact O-CE 3.22Å; I424-K429 WeakPolarHBondContact O-CE 3.47Å
425P91.4Very high88.1Confident15 Ų1568.6 Ų68.610%0.09735%0.348CS..  trans-63.3142.6174-23.135.2000113.3A303 F306 A423 C427 I428 K429A303-P425 HydrophobicContact CB-CG 3.94Å; F306-P425 HydrophobicContact CD2-CG 4.46Å; F306-P425 HydrophobicContact CE2-CB 4.1Å; F306-P425 HydrophobicContact CE2-CG 3.51Å; F306-P425 HydrophobicContact CZ-CB 3.8Å; F306-P425 HydrophobicContact CZ-CG 3.75Å; A423-P425 WeakPolarHBondContact O-CD 3.25Å; P425-C427 VanDerWaalsContact C-N 3.31Å; P425-C427 PolarHBondContact O-N 2.84Å; P425-I428 HydrophobicContact CB-CD1 4.06Å; P425-I428 HydrophobicContact CG-CD1 3.86Å; P425-I428 WeakPolarHBondContact O-CB 3.42Å; P425-I428 PolarHBondContact O-N 2.81Å; P425-K429 PolarHBondContact O-N 3.48Å
426E89.8Confident87.9Confident103 Ų10362.6 Ų62.648%0.48132%0.321SS..Hα-helixtrans-62.1-34.8-171-159.353.9-132.700113.8I428 K429 Q430E426-I428 PolarHBondContact O-N 3.14Å; E426-K429 PolarHBondContact O-N 2.86Å; E426-K429 VanDerWaalsContact O-N 3.13Å; E426-K429 WeakPolarHBondContact OE2-CD 3.07Å; E426-K429 WeakPolarHBondContact OE2-CE 3.12Å; E426-K429 IonicContact OE2-NZ 2.82Å; E426-K429 PolarHBondContact OE2-NZ 3.19Å; E426-Q430 WeakPolarHBondContact O-CG 3.42Å; E426-Q430 PolarHBondContact O-N 3.03Å
427C89.3Confident87.8Confident49 Ų4966.3 Ų66.333%0.33133%0.33SS..Hα-helixtrans-60.2-30.5174.757.70000113.2A346 P425 F431A346-C427 HydrophobicContact CB-CB 4.14Å; A346-C427 WeakPolarHBondContact CB-O 3.24Å; P425-C427 VanDerWaalsContact C-N 3.31Å; P425-C427 PolarHBondContact O-N 2.84Å; C427-F431 WeakPolarHBondContact O-CB 3.47Å; C427-F431 PolarHBondContact O-N 2.7Å; C427-F431 VanDerWaalsContact O-N 3.12Å
428I91.1Very high87.7Confident0 Ų071.7 Ų71.70%035%0.354CS..Hα-helixtrans-76.4-38.4176.2-70.8152.3000110.7L343 G345 L410 I424 P425 E426 F431 D432L343-I428 HydrophobicContact CB-CD1 3.71Å; L343-I428 HydrophobicContact CD1-CD1 4.21Å; G345-I428 WeakPolarHBondContact O-CG1 3.49Å; L410-I428 HydrophobicContact CD2-CG2 4.22Å; I424-I428 HydrophobicContact CG2-CB 4.01Å; I424-I428 HydrophobicContact CG2-CG2 3.83Å; P425-I428 HydrophobicContact CB-CD1 4.06Å; P425-I428 HydrophobicContact CG-CD1 3.86Å; P425-I428 WeakPolarHBondContact O-CB 3.42Å; P425-I428 PolarHBondContact O-N 2.81Å; E426-I428 PolarHBondContact O-N 3.14Å; I428-F431 PolarHBondContact O-N 2.95Å; I428-D432 PolarHBondContact O-N 3.3Å
429K91.8Very high87.5Confident88 Ų8872.3 Ų72.338%0.38336%0.359SS..Hα-helixtrans-63-44.8174.1-55.8-173.9-157.4152.90111.6L410 I424 P425 E426 F431 D432 A433L410-K429 HydrophobicContact CD1-CG 4.29Å; I424-K429 HydrophobicContact CB-CG 4.4Å; I424-K429 HydrophobicContact CG2-CG 3.77Å; I424-K429 VanDerWaalsContact O-CE 3.22Å; I424-K429 WeakPolarHBondContact O-CE 3.47Å; P425-K429 PolarHBondContact O-N 3.48Å; E426-K429 PolarHBondContact O-N 2.86Å; E426-K429 VanDerWaalsContact O-N 3.13Å; E426-K429 WeakPolarHBondContact OE2-CD 3.07Å; E426-K429 WeakPolarHBondContact OE2-CE 3.12Å; E426-K429 IonicContact OE2-NZ 2.82Å; E426-K429 PolarHBondContact OE2-NZ 3.19Å; K429-F431 VanDerWaalsContact C-N 3.3Å; K429-F431 PolarHBondContact O-N 3.28Å; K429-D432 PolarHBondContact O-N 2.96Å; K429-A433 WeakPolarHBondContact O-CB 3.37Å; K429-A433 PolarHBondContact O-N 3.45Å
430Q91.4Very high87.5Confident125 Ų12574.1 Ų74.158%0.58437%0.37SS*.Hα-helixtrans-60.2-40.2174.9-68.8173.19.500111.9E426 A433 E434E426-Q430 WeakPolarHBondContact O-CG 3.42Å; E426-Q430 PolarHBondContact O-N 3.03Å; Q430-A433 PolarHBondContact O-N 3.37Å; Q430-E434 WeakPolarHBondContact O-CB 3.35Å; Q430-E434 PolarHBondContact O-N 2.78Å
431F90.9Very high87.8Confident88 Ų8872.4 Ų72.439%0.38636%0.36SS..Hα-helixtrans-66.9-42.6176.3178.8-88.1000112.9A346 H380 C427 I428 K429 K435A346-F431 HydrophobicContact CB-CB 4.02Å; A346-F431 HydrophobicContact CB-CD2 4.4Å; A346-F431 HydrophobicContact CB-CG 4.4Å; H380-F431 HydrophobicContact CB-CD1 4.47Å; H380-F431 HydrophobicContact CB-CE1 3.91Å; H380-F431 AromaticContact CD2-CD1 3.73Å; H380-F431 AromaticContact CD2-CE1 3.99Å; H380-F431 AromaticContact CG-CE1 3.8Å; C427-F431 WeakPolarHBondContact O-CB 3.47Å; C427-F431 PolarHBondContact O-N 2.7Å; C427-F431 VanDerWaalsContact O-N 3.12Å; I428-F431 PolarHBondContact O-N 2.95Å; K429-F431 VanDerWaalsContact C-N 3.3Å; K429-F431 PolarHBondContact O-N 3.28Å; F431-K435 VanDerWaalsContact O-CB 3.28Å; F431-K435 WeakPolarHBondContact O-CB 3.4Å; F431-K435 PolarHBondContact O-N 3.41Å
432D92Very high87.9Confident15 Ų1573.6 Ų73.68%0.0836%0.363CS..Hα-helixtrans-61.1-48173.1-176.673.9000110.9H380 S409 L410 I428 K429 E434 K435 N436H380-D432 IonicContact CE1-OD1 3.99Å; H380-D432 PolarHBondContact CE1-OD1 2.81Å; H380-D432 IonicContact NE2-OD1 3.88Å; S409-D432 WeakPolarHBondContact CA-OD1 3.39Å; S409-D432 PolarHBondContact OG-OD1 2.99Å; L410-D432 HydrophobicContact CD1-CB 3.77Å; L410-D432 HydrophobicContact CG-CB 3.76Å; L410-D432 PolarHBondContact N-OD1 3.37Å; I428-D432 PolarHBondContact O-N 3.3Å; K429-D432 PolarHBondContact O-N 2.96Å; D432-E434 PolarHBondContact O-N 2.83Å; D432-K435 PolarHBondContact O-N 3.07Å; D432-N436 WeakPolarHBondContact O-CB 3.5Å; D432-N436 PolarHBondContact O-N 3.45Å; D432-N436 PolarHBondContact O-ND2 2.88Å; D432-N436 PolarHBondContact OD2-ND2 3.03Å
433A90.6Very high87.9Confident56 Ų5676.4 Ų76.446%0.46338%0.38SS..Hα-helixtrans-57.8-46.317800000112.6K429 Q430 N436 R437K429-A433 WeakPolarHBondContact O-CB 3.37Å; K429-A433 PolarHBondContact O-N 3.45Å; Q430-A433 PolarHBondContact O-N 3.37Å; A433-N436 PolarHBondContact O-N 3.01Å; A433-R437 WeakPolarHBondContact O-CB 3.35Å; A433-R437 PolarHBondContact O-N 3.36Å
434E90Very high87.8Confident58 Ų5877.8 Ų77.827%0.27138%0.378SS..Hα-helixtrans-67.4-35.9177.917855.9-166.200112.5Q430 D432 R437 K438Q430-E434 WeakPolarHBondContact O-CB 3.35Å; Q430-E434 PolarHBondContact O-N 2.78Å; D432-E434 PolarHBondContact O-N 2.83Å; E434-R437 IonicContact OE1-NH2 3.58Å; E434-R437 PolarHBondContact OE1-NH2 2.71Å; E434-R437 IonicContact OE2-CZ 2.63Å; E434-R437 IonicContact OE2-NE 3.17Å; E434-R437 PolarHBondContact OE2-NE 2.98Å; E434-R437 IonicContact OE2-NH2 2.62Å; E434-R437 PolarHBondContact OE2-NH2 3.12Å; E434-K438 HydrophobicContact CG-CD 4.4Å; E434-K438 WeakPolarHBondContact O-CG 3.29Å; E434-K438 PolarHBondContact O-N 2.89Å; E434-K438 WeakPolarHBondContact OE1-CE 3.47Å; E434-K438 IonicContact OE1-NZ 3.57Å; E434-K438 PolarHBondContact OE1-NZ 3.38Å
435K86.9Confident87.4Confident77 Ų7783.9 Ų83.934%0.33541%0.406SS..Hα-helixtrans-67.9-44.1175.4-171.6-170.2169.4-158.60111.5Y408 F431 D432 K438 S439Y408-K435 PolarHBondContact O-NZ 2.95Å; F431-K435 VanDerWaalsContact O-CB 3.28Å; F431-K435 WeakPolarHBondContact O-CB 3.4Å; F431-K435 PolarHBondContact O-N 3.41Å; D432-K435 PolarHBondContact O-N 3.07Å; K435-K438 PolarHBondContact O-N 2.86Å; K435-S439 PolarHBondContact O-N 2.96Å
436N86.3Confident87Confident40 Ų4088.5 Ų88.521%0.21443%0.427CS..Hα-helixtrans-62.4-44.1175.4-65.5-22.3000110.6D432 A433 K438 S439 N440D432-N436 WeakPolarHBondContact O-CB 3.5Å; D432-N436 PolarHBondContact O-N 3.45Å; D432-N436 PolarHBondContact O-ND2 2.88Å; D432-N436 PolarHBondContact OD2-ND2 3.03Å; A433-N436 PolarHBondContact O-N 3.01Å; N436-K438 VanDerWaalsContact C-N 3.32Å; N436-K438 PolarHBondContact O-N 3.02Å; N436-S439 WeakPolarHBondContact O-CB 3.47Å; N436-S439 PolarHBondContact O-N 3.33Å; N436-S439 VanDerWaalsContact O-N 3.09Å; N436-N440 PolarHBondContact O-N 3.42Å; N436-N440 PolarHBondContact O-OD1 3.1Å
437R87.3Confident86.7Confident140 Ų14088.1 Ų88.153%0.52843%0.427SS..Hα-helixtrans-57.7-41.8174.8-171175.274.5142.93.3112.4A433 E434 K441A433-R437 WeakPolarHBondContact O-CB 3.35Å; A433-R437 PolarHBondContact O-N 3.36Å; E434-R437 IonicContact OE1-NH2 3.58Å; E434-R437 PolarHBondContact OE1-NH2 2.71Å; E434-R437 IonicContact OE2-CZ 2.63Å; E434-R437 IonicContact OE2-NE 3.17Å; E434-R437 PolarHBondContact OE2-NE 2.98Å; E434-R437 IonicContact OE2-NH2 2.62Å; E434-R437 PolarHBondContact OE2-NH2 3.12Å; R437-K441 WeakPolarHBondContact O-CG 3.29Å; R437-K441 PolarHBondContact O-N 2.76Å
438K85.9Confident86.3Confident117 Ų11789.4 Ų89.451%0.50944%0.436SS..Hα-helixtrans-69.7-34174.8-78.6168.6168.91430113.2E434 K435 N436 R442E434-K438 HydrophobicContact CG-CD 4.4Å; E434-K438 WeakPolarHBondContact O-CG 3.29Å; E434-K438 PolarHBondContact O-N 2.89Å; E434-K438 WeakPolarHBondContact OE1-CE 3.47Å; E434-K438 IonicContact OE1-NZ 3.57Å; E434-K438 PolarHBondContact OE1-NZ 3.38Å; K435-K438 PolarHBondContact O-N 2.86Å; N436-K438 VanDerWaalsContact C-N 3.32Å; N436-K438 PolarHBondContact O-N 3.02Å; K438-R442 WeakPolarHBondContact O-CG 2.82Å; K438-R442 PolarHBondContact O-N 3.4Å
439S82.2Confident85.8Confident65 Ų6590.9 Ų90.946%0.45545%0.451SS..Hα-helixtrans-67.3-50.9176.5-159.80000111K435 N436 K441 R442 V443K435-S439 PolarHBondContact O-N 2.96Å; N436-S439 WeakPolarHBondContact O-CB 3.47Å; N436-S439 PolarHBondContact O-N 3.33Å; N436-S439 VanDerWaalsContact O-N 3.09Å; S439-K441 PolarHBondContact O-N 3.36Å; S439-R442 WeakPolarHBondContact O-CB 3.45Å; S439-R442 PolarHBondContact O-N 2.79Å; S439-R442 VanDerWaalsContact O-N 3.14Å; S439-V443 PolarHBondContact O-N 3.25Å
440N82.8Confident85.2Confident97 Ų9792.7 Ų92.752%0.51946%0.459SS..Hα-helixtrans-59.4-48.6-179.2-66.412.4000111.1N436 R442 V443 D444N436-N440 PolarHBondContact O-N 3.42Å; N436-N440 PolarHBondContact O-OD1 3.1Å; N440-R442 PolarHBondContact O-N 3.42Å; N440-R442 VanDerWaalsContact O-N 3.07Å; N440-V443 CarbonylContact O-C 3.47Å; N440-V443 WeakPolarHBondContact O-CA 3.41Å; N440-V443 WeakPolarHBondContact O-CB 3.35Å; N440-V443 PolarHBondContact O-N 3.04Å; N440-D444 PolarHBondContact O-N 2.72Å
441K83.9Confident84.8Confident126 Ų12691.2 Ų91.255%0.54846%0.459SS..Hα-helixtrans-53.6-33.5176.8-77-178.7175-164.70114.3R437 S439 Q445R437-K441 WeakPolarHBondContact O-CG 3.29Å; R437-K441 PolarHBondContact O-N 2.76Å; S439-K441 PolarHBondContact O-N 3.36Å; K441-Q445 VanDerWaalsContact O-CB 3.28Å; K441-Q445 WeakPolarHBondContact O-CB 3.44Å; K441-Q445 PolarHBondContact O-N 3.42Å; K441-Q445 VanDerWaalsContact O-N 3.11Å
442R81.4Confident84.1Confident185 Ų18593.8 Ų93.870%0.69847%0.472SS*.Hα-helixtrans-73.3-41.1176.4-71.5172.4175.8-166.1-4.1111.7K438 S439 N440 Q445 E446K438-R442 WeakPolarHBondContact O-CG 2.82Å; K438-R442 PolarHBondContact O-N 3.4Å; S439-R442 WeakPolarHBondContact O-CB 3.45Å; S439-R442 PolarHBondContact O-N 2.79Å; S439-R442 VanDerWaalsContact O-N 3.14Å; N440-R442 PolarHBondContact O-N 3.42Å; N440-R442 VanDerWaalsContact O-N 3.07Å; R442-Q445 PolarHBondContact O-N 3.08Å; R442-E446 WeakPolarHBondContact O-CB 3.41Å; R442-E446 PolarHBondContact O-N 3.14Å
443V84.3Confident83.2Confident70 Ų70100.1 Ų100.142%0.42450%0.503SS..Hα-helixtrans-63.9-46175.5176.10000110.3S439 N440 Q445 E446 I447S439-V443 PolarHBondContact O-N 3.25Å; N440-V443 CarbonylContact O-C 3.47Å; N440-V443 WeakPolarHBondContact O-CA 3.41Å; N440-V443 WeakPolarHBondContact O-CB 3.35Å; N440-V443 PolarHBondContact O-N 3.04Å; V443-Q445 VanDerWaalsContact C-N 3.33Å; V443-Q445 PolarHBondContact O-N 2.83Å; V443-E446 PolarHBondContact O-N 2.87Å; V443-I447 HydrophobicContact CG1-CD1 3.74Å; V443-I447 HydrophobicContact CG1-CG1 4.42Å; V443-I447 VanDerWaalsContact O-CG1 3.27Å; V443-I447 WeakPolarHBondContact O-CG1 3.37Å; V443-I447 PolarHBondContact O-N 3.41Å
444D83.7Confident82.5Confident98 Ų98100.3 Ų100.352%0.52450%0.504SS..Hα-helixtrans-59.8-43177.1-56.5-32.4000111.3N440 I447 S448N440-D444 PolarHBondContact O-N 2.72Å; D444-I447 PolarHBondContact O-N 3.39Å; D444-S448 WeakPolarHBondContact O-CB 3.47Å; D444-S448 PolarHBondContact O-N 2.99Å
445Q82.9Confident81.7Confident149 Ų149100.9 Ų100.970%0.69652%0.519SS*.Hα-helixtrans-68.2-37.6177.4-169.817321.500112.6K441 R442 V443 G449K441-Q445 VanDerWaalsContact O-CB 3.28Å; K441-Q445 WeakPolarHBondContact O-CB 3.44Å; K441-Q445 PolarHBondContact O-N 3.42Å; K441-Q445 VanDerWaalsContact O-N 3.11Å; R442-Q445 PolarHBondContact O-N 3.08Å; V443-Q445 VanDerWaalsContact C-N 3.33Å; V443-Q445 PolarHBondContact O-N 2.83Å; Q445-G449 PolarHBondContact O-N 3.39Å
446E82.9Confident81.1Confident113 Ų113101.5 Ų101.553%0.52854%0.539SS..Hα-helixtrans-67.7-41175.1-168.4-170.714300111.8R442 V443 K450R442-E446 WeakPolarHBondContact O-CB 3.41Å; R442-E446 PolarHBondContact O-N 3.14Å; V443-E446 PolarHBondContact O-N 2.87Å; E446-K450 HydrophobicContact CG-CD 4.3Å; E446-K450 WeakPolarHBondContact O-CB 3.39Å; E446-K450 WeakPolarHBondContact O-CG 3.5Å; E446-K450 PolarHBondContact O-N 3.14Å; E446-K450 WeakPolarHBondContact OE1-CE 3.48Å; E446-K450 IonicContact OE1-NZ 3.65Å; E446-K450 PolarHBondContact OE1-NZ 3.11Å
447I82.9Confident80.4Confident95 Ų95103.2 Ų103.249%0.48756%0.558SS.*Hα-helixtrans-64.5-46.8175.1-67.2166.9000110V443 D444 G449 K450 V451V443-I447 HydrophobicContact CG1-CD1 3.74Å; V443-I447 HydrophobicContact CG1-CG1 4.42Å; V443-I447 VanDerWaalsContact O-CG1 3.27Å; V443-I447 WeakPolarHBondContact O-CG1 3.37Å; V443-I447 PolarHBondContact O-N 3.41Å; D444-I447 PolarHBondContact O-N 3.39Å; I447-G449 PolarHBondContact O-N 3.3Å; I447-K450 PolarHBondContact O-N 3.25Å; I447-V451 HydrophobicContact CG2-CG2 4.44Å; I447-V451 WeakPolarHBondContact O-CG2 3.45Å; I447-V451 PolarHBondContact O-N 2.82Å
448S81.2Confident79.7Confident75 Ų75101.8 Ų101.852%0.52457%0.565SS.*Hα-helixtrans-57.4-48.7177.2-167.70000111.7D444 K450 V451 E452D444-S448 WeakPolarHBondContact O-CB 3.47Å; D444-S448 PolarHBondContact O-N 2.99Å; S448-K450 VanDerWaalsContact C-N 3.33Å; S448-K450 PolarHBondContact O-N 2.58Å; S448-V451 PolarHBondContact O-N 2.94Å; S448-E452 WeakPolarHBondContact O-CB 3.36Å; S448-E452 PolarHBondContact O-N 2.92Å
449G80.8Confident78.9Confident31 Ų31101.7 Ų101.732%0.3258%0.576SS.*Hα-helixtrans-65.5-33.1178.300000113.7Q445 I447 M453Q445-G449 PolarHBondContact O-N 3.39Å; I447-G449 PolarHBondContact O-N 3.3Å; G449-M453 WeakPolarHBondContact O-CG 3.37Å; G449-M453 PolarHBondContact O-N 3.25Å
450K79.3Confident77.7Confident126 Ų126111.6 Ų111.655%0.54862%0.615SS.*Hα-helixtrans-69.6-38.8173.8-80.6172.7170.8171.80112.7E446 I447 S448 A454E446-K450 HydrophobicContact CG-CD 4.3Å; E446-K450 WeakPolarHBondContact O-CB 3.39Å; E446-K450 WeakPolarHBondContact O-CG 3.5Å; E446-K450 PolarHBondContact O-N 3.14Å; E446-K450 WeakPolarHBondContact OE1-CE 3.48Å; E446-K450 IonicContact OE1-NZ 3.65Å; E446-K450 PolarHBondContact OE1-NZ 3.11Å; I447-K450 PolarHBondContact O-N 3.25Å; S448-K450 VanDerWaalsContact C-N 3.33Å; S448-K450 PolarHBondContact O-N 2.58Å; K450-A454 VanDerWaalsContact O-CB 3.24Å; K450-A454 WeakPolarHBondContact O-CB 3.22Å; K450-A454 PolarHBondContact O-N 2.96Å
451V81.7Confident77.5Confident95 Ų95112.3 Ų112.358%0.57662%0.62SS**Hα-helixtrans-66.6-42.3175.2171.70000110.7I447 S448 A454 A455I447-V451 HydrophobicContact CG2-CG2 4.44Å; I447-V451 WeakPolarHBondContact O-CG2 3.45Å; I447-V451 PolarHBondContact O-N 2.82Å; S448-V451 PolarHBondContact O-N 2.94Å; V451-A454 PolarHBondContact O-N 3.46Å; V451-A455 WeakPolarHBondContact O-CB 3.46Å; V451-A455 PolarHBondContact O-N 3.47Å
452E76.8Confident77.1Confident142 Ų142111.6 Ų111.666%0.66462%0.624SS**Hα-helixtrans-64-46177.9-168.3174.3176.500112.1S448 A454 A455 A456S448-E452 WeakPolarHBondContact O-CB 3.36Å; S448-E452 PolarHBondContact O-N 2.92Å; E452-A454 PolarHBondContact O-N 3.3Å; E452-A455 PolarHBondContact O-N 3.47Å; E452-A456 WeakPolarHBondContact O-CB 3.33Å; E452-A456 PolarHBondContact O-N 2.97Å
453M74.1Confident76.9Confident147 Ų147107.5 Ų107.572%0.72462%0.619SS**Hα-helixtrans-68-31.3174.7-71.3-139.3-67.400113.6G449 A457G449-M453 WeakPolarHBondContact O-CG 3.37Å; G449-M453 PolarHBondContact O-N 3.25Å; M453-A457 WeakPolarHBondContact O-CB 3.47Å; M453-A457 PolarHBondContact O-N 2.86Å
454A75.1Confident76.4Confident60 Ų60109.7 Ų109.750%0.49663%0.631SS.*Hα-helixtrans-69.8-38.8173.900000112K450 V451 E452 A457K450-A454 VanDerWaalsContact O-CB 3.24Å; K450-A454 WeakPolarHBondContact O-CB 3.22Å; K450-A454 PolarHBondContact O-N 2.96Å; V451-A454 PolarHBondContact O-N 3.46Å; E452-A454 PolarHBondContact O-N 3.3Å; A454-A457 PolarHBondContact O-N 3.07Å
455A73.4Confident76Confident71 Ų71110.4 Ų110.459%0.58764%0.638SS**Hα-helixtrans-66.7-37.8175.600000112.2V451 E452 A457V451-A455 WeakPolarHBondContact O-CB 3.46Å; V451-A455 PolarHBondContact O-N 3.47Å; E452-A455 PolarHBondContact O-N 3.47Å; A455-A457 PolarHBondContact O-N 2.77Å
456A73.4Confident75.5Confident90 Ų90107.9 Ų107.974%0.74463%0.634SS**THydrogen-bonded Turntrans-73.2-9.7177.200000114.6E452E452-A456 WeakPolarHBondContact O-CB 3.33Å; E452-A456 PolarHBondContact O-N 2.97Å
457A72.9Confident75Confident75 Ų75107.5 Ų107.562%0.6264%0.641SS**THydrogen-bonded Turntrans-103.15-175.500000114.4M453 A454 A455 P459M453-A457 WeakPolarHBondContact O-CB 3.47Å; M453-A457 PolarHBondContact O-N 2.86Å; A454-A457 PolarHBondContact O-N 3.07Å; A455-A457 PolarHBondContact O-N 2.77Å; A457-P459 WeakPolarHBondContact O-CD 3.3Å
458V72Confident74.4Confident111 Ų111108.5 Ų108.567%0.67365%0.653SS**  trans-90.7112.3174.4-176.40000109
459P69.1Low73.8Confident114 Ų114111.3 Ų111.374%0.7466%0.664SS**  trans-73.7146.4173.131.1-33.9000111.3A457A457-P459 WeakPolarHBondContact O-CD 3.3Å
460E57.3Low73.2Confident273 Ų273118.5 Ų118.5100%1.27670%0.695SS**  trans-68.40170-70.1-169.6128.100113.1

Retrieved 460 of 460 residues in 335.3 ms (Link to these results)