A0A3B3UUA9_9TELE Loading...

WW domain-containing adapter protein with coiled-coil

AlphaFold DB , UniProt , Accession A0A3B3UUA9, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 543 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.1Very low39Very low195 Ų195158.2 Ų158.296%0.96175%0.751SS**  0114.70-178.3123.771.400108M3M1-M3 HydrophobicContact CG-SD 4.43Å
2V38.4Very low39.5Very low66 Ų66150.6 Ų150.640%0.475%0.746SS.*  trans-90.4114.4-173.9-176.50000109.8Y4 V146V2-Y4 HydrophobicContact CB-CE2 4.28Å; V2-Y4 HydrophobicContact CG1-CD2 4.01Å; V2-Y4 HydrophobicContact CG1-CE2 3.56Å; V2-V146 HydrophobicContact CG1-CG1 3.65Å; V2-V146 HydrophobicContact CG1-CG2 4.15Å
3M38.2Very low38.8Very low132 Ų132152.6 Ų152.665%0.6576%0.761SS**BIsolated β-bridgetrans-98.598.6-178.9-66.1-67.5-73.500110.1M1 A5M1-M3 HydrophobicContact CG-SD 4.43Å; M3-A5 PolarHBondContact O-N 2.77Å
4Y38.6Very low38.5Very low173 Ų173146.1 Ų146.168%0.67875%0.752SS**  trans-76118.1172.8-70.3-84.3000110.6V2 R6 V146V2-Y4 HydrophobicContact CB-CE2 4.28Å; V2-Y4 HydrophobicContact CG1-CD2 4.01Å; V2-Y4 HydrophobicContact CG1-CE2 3.56Å; Y4-R6 PolarHBondContact O-N 3.06Å; Y4-V146 HydrophobicContact CD1-CG2 3.69Å; Y4-V146 HydrophobicContact CE1-CG2 3.35Å
5A41.4Very low38Very low72 Ų72145.3 Ų145.360%0.59576%0.762SS**  trans-78.683.1-177.700000111.8M3 K7M3-A5 PolarHBondContact O-N 2.77Å; A5-K7 PolarHBondContact O-N 3.11Å
6R37Very low38.1Very low246 Ų246144.6 Ų144.693%0.92876%0.76SS**  trans-69.290.5-178.8-162.2-178.4-161.2-176.66.5112Y4Y4-R6 PolarHBondContact O-N 3.06Å
7K46.1Very low37.8Very low146 Ų146150.3 Ų150.364%0.63577%0.768SS**PPolyproline II helixtrans-59.2135.3171.2-68.1164.9-177154.30110.4A5 E145A5-K7 PolarHBondContact O-N 3.11Å; K7-E145 IonicContact NZ-OE1 2.66Å; K7-E145 PolarHBondContact NZ-OE1 2.97Å; K7-E145 IonicContact NZ-OE2 3.69Å; K7-E145 PolarHBondContact NZ-OE2 3.02Å
8Q34.5Very low37.9Very low171 Ų171153.7 Ų153.780%0.79977%0.77SS**PPolyproline II helixtrans-77.2145.1166.4-73.2-73.1700109.8R10Q8-R10 PolarHBondContact O-N 3.45Å
9P36.6Very low37.6Very low118 Ų118154.2 Ų154.277%0.76678%0.775SS**PPolyproline II helixtrans-67.1126.4176.5-16.830.7000111.2
10R40.1Very low37.4Very low243 Ų243151.5 Ų151.592%0.91777%0.772SS**PPolyproline II helixtrans-88.4122.4159.9-86-172.9167.7147.5-1.3108.9Q8Q8-R10 PolarHBondContact O-N 3.45Å
11L40.4Very low37.1Very low178 Ų178152.9 Ų152.993%0.93278%0.775SS**PPolyproline II helixtrans-76.9133.7163.4-78162.8000108.6
12G44.5Very low37.5Very low67 Ų67148.2 Ų148.269%0.69176%0.76SS**  trans86.687.317900000113.7
13D31.1Very low37Very low177 Ų177156.2 Ų156.295%0.94778%0.784SS**  -154.1148.5110.7-112.7-25.8000110.8
14G34Very low36.8Very low61 Ų61157.7 Ų157.763%0.62979%0.789SS**  trans-158.5168177.800000110.1
15C31.4Very low36.5Very low134 Ų134156 Ų15691%0.90580%0.797SS**  trans74.896.2-175.5-54.10000115.1
16D38.7Very low36Very low135 Ų135159.7 Ų159.772%0.72281%0.806SS**  trans-44.6136.7159.2178.4-0.7000112.5R18D16-R18 PolarHBondContact OD1-N 3.45Å
17R34Very low35.8Very low241 Ų241157.1 Ų157.191%0.90980%0.802SS**  trans-148.9113.4150.7-128.5175.9-171140.34.1111.5
18R39.7Very low34.9Very low211 Ų211161.3 Ų161.380%0.79682%0.815SS**  trans-79.6133.9169-58.7-157.6-62-116.26111.4D16D16-R18 PolarHBondContact OD1-N 3.45Å
19D32Very low34.6Very low163 Ų163158.8 Ų158.887%0.87282%0.817SS**  trans-148.8162.5150.7-108-45.7000110.2
20S33.2Very low34.2Very low101 Ų101158.1 Ų158.171%0.70682%0.815SS**  trans-129121.9-151.1-56.10000116.3
21Q32.3Very low33.7Very low181 Ų181156.6 Ų156.685%0.84682%0.815SS**  trans63.2175.2156-63.5-69.9-18.900116.3
22P45.6Very low33.2Very low97 Ų97153.8 Ų153.863%0.6381%0.81SS**  cis-117.7174.2-21.438.4-26.5000112.6
23Y28.8Very low32.6Very low234 Ų234159.6 Ų159.692%0.91882%0.819SS**  trans-146.5148.8142.6-116.9-78.2000112.5
24Q32.1Very low33.1Very low162 Ų162157 Ų15776%0.75781%0.812SS**  trans-91.6143.3-165-63.3173.1-900113.6
25T32.7Very low32.8Very low137 Ų137157.8 Ų157.884%0.8482%0.82SS**  trans-87109160.3-61.90000109.3
26L31.2Very low32.6Very low151 Ų151155.1 Ų155.179%0.79182%0.815SS**PPolyproline II helixtrans-90.5123174.2-143.375.4000110.6
27K32.8Very low32.2Very low192 Ų192156.3 Ų156.384%0.83582%0.816SS**PPolyproline II helixtrans-82.5148.6176.9-70.9-173177.2-177.50111.4
28Y27.8Very low32.2Very low233 Ų233150.9 Ų150.991%0.91480%0.801SS**PPolyproline II helixtrans-63.9137.4166.2-95.2-102.6000111.6
29S26.9Very low31.9Very low118 Ų118150.1 Ų150.183%0.82580%0.798SS**PPolyproline II helixtrans-88.1168.4169.4-166.70000111.5
30S28.7Very low32.1Very low104 Ų104150 Ų15073%0.72779%0.792SS**  trans-125.5147.2-166.9-70.60000115
31K31Very low31.7Very low211 Ų211152.3 Ų152.392%0.91779%0.791SS**  trans61.3125152-87.4177.8171.4175.10120.7
32S29.4Very low31.9Very low120 Ų120150.6 Ų150.684%0.83978%0.781SS**  -160.7158.9122.260.40000110.6
33H31.1Very low31.4Very low188 Ų188151.8 Ų151.887%0.8779%0.787SS**  trans-162.8126.5-176.7-153.144.3000112.6
34P41.1Very low31.6Very low123 Ų123151.9 Ų151.980%0.79979%0.786SS**  trans-133.8167148.937.9-25.7000111.6
35G27.8Very low31.6Very low77 Ų77150.8 Ų150.879%0.79479%0.785SS**  cis157.9122.6-700000112
36G28.7Very low32.1Very low78 Ų78149.1 Ų149.180%0.80478%0.776SS**  trans84.6162.4-177.900000114.9
37E28.4Very low32.2Very low160 Ų160147.4 Ų147.475%0.74877%0.772SS**  cis-161.1150.9-2.1-125.6-76.185.900111.9
38H36Very low31.9Very low128 Ų128146.3 Ų146.359%0.59377%0.77SS**  trans40.7128.3153.4-101.945.9000128
39R33.1Very low32.4Very low194 Ų194141.9 Ų141.973%0.73277%0.767SS**  71.2155.7128.5-130.8167.7178.5-176.512.1117.6
40H35.1Very low32.7Very low162 Ų162142.2 Ų142.275%0.7576%0.764SS**  cis-141.3174.526.2-84.7-101.7000115.5
41E25.8Very low34.3Very low148 Ų148142.6 Ų142.669%0.69276%0.764SS**  trans-107.7163.8-179.2-171.5-146.3133.700111.9
42K36.7Very low35.2Very low146 Ų146138.5 Ų138.564%0.63576%0.759SS**  118.6119.5128.3-151174.3-15285.80120.3
43T34.4Very low35.2Very low121 Ų121138.8 Ų138.874%0.74276%0.76SS**  trans63.5157.2149.850.80000121.2
44R33.1Very low35.3Very low237 Ų237139.1 Ų139.189%0.89476%0.759SS**  cis-169.7151.2-18.8172.9171.6-175.2145.9-0110
45D31.2Very low35.3Very low138 Ų138142 Ų14274%0.73876%0.764SS**  trans-80.9152.3-179.2-16516.2000113.2
46P44.5Very low35.5Very low102 Ų102146 Ų14666%0.66277%0.766SS**  -159.5158.194.642.7-22.6000120.6
47T33Very low36Very low115 Ų115152.3 Ų152.371%0.70677%0.766SS**  trans67.3119.1141.746.70000125.4
48E26.8Very low36.1Very low169 Ų169156 Ų15679%0.7977%0.773SS**  70.5128.6119.8-166.3166.7-155.800124.4
49V37.1Very low36.2Very low140 Ų140154.3 Ų154.385%0.84878%0.775SS**  trans-179.1154.2131.5146.40000110.7
50T34Very low36Very low126 Ų126152.4 Ų152.477%0.77378%0.779SS**  trans-122.5-177.9-164.418.50000114.7
51P61.9Low35.9Very low111 Ų111148.7 Ų148.772%0.72177%0.772SS**  trans-114.1175.7-155.544.3-38.4000117
52P49.7Very low37.1Very low125 Ų125146.9 Ų146.981%0.81277%0.773SS**  trans-112.3169.7149.340.3-31.1000110.8
53C29.7Very low37.1Very low126 Ų126148 Ų14885%0.85178%0.78SS**  cis-153-160.5-4.2-157.60000109.6
54K34.3Very low36.8Very low196 Ų196149 Ų14985%0.85278%0.781SS**  trans-145.1148.8167.9-71.5-172.6179.4-177.50112.8
55M40.3Very low37Very low183 Ų183146.3 Ų146.390%0.90178%0.776SS**  trans-155152.8160.6-76.5-142.7-60.500108.1
56L32.4Very low37Very low162 Ų162146 Ų14685%0.84877%0.77SS**  cis-144.4164.5-2.9-179.357.1000108.9
57R37.7Very low36.6Very low209 Ų209147.6 Ų147.679%0.78978%0.778SS**  trans-97148.9-179.9-76.1-143.8-98.3180-7.7114.6
58R31.9Very low36.7Very low239 Ų239149.1 Ų149.190%0.90278%0.782SS**  175.9117.2124.1-88.4151.5-165.7-81.13.9107.5
59S37Very low37Very low91 Ų91144.6 Ų144.664%0.63678%0.781SS**  78.4110.957.6-65.50000113.5
60D28.9Very low36.8Very low154 Ų154144.6 Ų144.682%0.82478%0.781SS**  -162.9167109.3-142.9-97.6000113.5
61S32.8Very low36.8Very low85 Ų85141.4 Ų141.459%0.59477%0.773SS**  trans-176.8131-178.31690000111.8
62P52.8Low35.7Very low109 Ų109145 Ų14571%0.70878%0.78SS**  -141.6144129.120.90.1000112.8
63E35.4Very low34.8Very low169 Ų169144 Ų14479%0.7978%0.776SS**  cis94.3122.843.5-76.6169.274.100115.6
64N29.2Very low35Very low144 Ų144149.7 Ų149.777%0.7778%0.78SS**  trans-174.2125.8132.8-132.13.7000115
65K36.8Very low34.9Very low179 Ų179144.2 Ų144.278%0.77877%0.771SS**  trans50.4159142.1-56-89.9180-179.10121.6
66H31.9Very low34.9Very low131 Ų131145.4 Ų145.461%0.60677%0.771SS**  cis176.7130.3-26.1171.5-78.6000109.5D68H66-D68 IonicContact CE1-OD2 2.69Å; H66-D68 PolarHBondContact CE1-OD2 3.36Å; H66-D68 VanDerWaalsContact CE1-OD2 3.31Å; H66-D68 IonicContact NE2-OD2 3.31Å
67T35.7Very low34.8Very low137 Ų137141.5 Ų141.584%0.8476%0.762SS**  trans-175.1154.214619.60000113.6
68D35.2Very low34.5Very low146 Ų146138.3 Ų138.378%0.78177%0.765SS**  trans-92.9168-169.6-54.7-93000115.8H66H66-D68 IonicContact CE1-OD2 2.69Å; H66-D68 PolarHBondContact CE1-OD2 3.36Å; H66-D68 VanDerWaalsContact CE1-OD2 3.31Å; H66-D68 IonicContact NE2-OD2 3.31Å
69G32Very low34.5Very low75 Ų75134.2 Ų134.277%0.77376%0.756SS**  trans-178.893.4170.900000116.4
70T34.5Very low34.3Very low140 Ų140136.3 Ų136.386%0.85977%0.765SS**  trans-28.9145.1160.4-48.80000115.7
71G33.3Very low34.3Very low58 Ų58136.1 Ų136.160%0.59876%0.759SS**  cis135.6154.93.700000112.3
72H38.3Very low34.3Very low187 Ų187142.1 Ų142.187%0.86677%0.769SS**  trans70.9156.1171.7-59.743.5000116.6
73S30.5Very low33.5Very low104 Ų104144.1 Ų144.173%0.72778%0.778SS**  cis-165.9174.9-25.662.10000112.4
74R34.7Very low33.8Very low246 Ų246146 Ų14693%0.92878%0.779SS**  trans1.3160.6156.7-82.3-176.3173-172.2-1.2121.6
75A32.6Very low33.9Very low81 Ų81144.8 Ų144.867%0.66977%0.768SS**  cis-166153.3-0.600000110
76K39.1Very low33.8Very low208 Ų208145.3 Ų145.390%0.90477%0.765SS**  30.2146.3102-66.3-167.1179-172.30118.1
77A29.7Very low33.8Very low79 Ų79146.2 Ų146.265%0.65377%0.774SS**  cis179.7-171.6-14.900000109.9
78V32.8Very low33.5Very low142 Ų142143.7 Ų143.786%0.86178%0.776SS**  trans75.5156.1161.1-172.50000115.9
79H30.6Very low33.3Very low153 Ų153140.3 Ų140.371%0.70878%0.776SS**  cis175.3128.9-49162.487.5000108.9
80T33.4Very low33.2Very low136 Ų136142.1 Ų142.183%0.83477%0.774SS**  trans-177.3173.2159.237.30000108.4
81H29.8Very low33.3Very low149 Ų149140.7 Ų140.769%0.6977%0.77SS**  -153163.7-54.7173.9-97.3000107.1
82R32.7Very low33.2Very low211 Ų211148.1 Ų148.180%0.79678%0.781SS**  trans-60147.3-167.5-63.1170.8171.2144.4-5.6116.5
83V36.2Very low32.8Very low151 Ų151144 Ų14492%0.91577%0.773SS**  trans-121160.5138.8175.20000107.6
84R40.9Very low33.2Very low210 Ų210145.6 Ų145.679%0.79278%0.781SS**  trans-130.5167-174.8175.5177.5169150.86.3110.1
85E31.1Very low32.9Very low118 Ų118143 Ų14355%0.55178%0.779SS**  trans82.3137.3-177.4-52.6-63.4109.100112.5
86R36.1Very low32.9Very low190 Ų190148.3 Ų148.372%0.71779%0.79SS**  cis-163.6143.9-7.2162176.7-65.7-128.32110.7
87D30.1Very low32.3Very low149 Ų149144.8 Ų144.880%0.79778%0.781SS**  trans55.1151.2167.5-54.9-27.1000119.3
88G30.4Very low32.6Very low84 Ų84146 Ų14687%0.86679%0.785SS**  trans165.2-42.2171.700000118.8
89G31.3Very low32.6Very low76 Ų76146.6 Ų146.678%0.78478%0.778SS**  trans89.1141174.200000117.1
90P30.4Very low32.7Very low113 Ų113145.2 Ų145.273%0.73478%0.776SS**  trans-107147174.737.5-30.5000114.5
91S34.6Very low32.8Very low110 Ų110147 Ų14777%0.76978%0.775SS**  trans-56.3141.4164146.20000112.7
92Y32.4Very low32.7Very low214 Ų214146 Ų14684%0.83978%0.784SS**  trans-140.5144.8158.6-98.4-78.8000113.7
93S28.7Very low32.9Very low101 Ų101140.8 Ų140.871%0.70678%0.78SS**  trans-70.9163.1175.5-58.30000112.5Q95S93-Q95 PolarHBondContact O-N 2.81Å
94P39.3Very low32.8Very low136 Ų136142.1 Ų142.188%0.88378%0.781SS**  trans-69132.1179.5-13.628.8000111.6
95Q29Very low32.3Very low191 Ų191140 Ų14089%0.89378%0.78SS**  trans-119.7140.4162.5-174.3163-52.400108.9S93S93-Q95 PolarHBondContact O-N 2.81Å
96E31.8Very low32.1Very low193 Ų193140.6 Ų140.690%0.90280%0.797SS**  trans-66136.7-176.9-63.717480.600112.2
97N27Very low32Very low134 Ų134137.1 Ų137.172%0.71780%0.802SS**  trans-151.2126.6158.7-172.43.8000109.7H99N97-H99 PolarHBondContact OD1-ND1 3.03Å
98S37.3Very low31.8Very low105 Ų105137.8 Ų137.873%0.73481%0.806SS**  trans-123.5103.8-173.543.60000110.8
99H32.2Very low31.8Very low154 Ų154137.3 Ų137.371%0.71379%0.789SS**  trans-13791.6179.5-84.989.2000113.5N97N97-H99 PolarHBondContact OD1-ND1 3.03Å
100N32.5Very low32Very low124 Ų124141.9 Ų141.966%0.66379%0.79SS**  trans51.9113.2134.7-65.8-5.3000122.3
101H35.4Very low31.9Very low174 Ų174142.4 Ų142.481%0.80680%0.796SS**  trans57.9117.1131.9-52-54.7000121.1
102S27.5Very low32.1Very low127 Ų127144.5 Ų144.589%0.88880%0.799SS**  -144.3150.3114.759.80000110
103S36.4Very low32.7Very low103 Ų103139.7 Ų139.772%0.7279%0.793SS**  trans-137.5118.9179.857.90000110.2
104L34.9Very low33Very low179 Ų179140 Ų14094%0.93780%0.796SS**  trans-132.5149.5162.3-75.3178.3000109.5
105H31.2Very low32.9Very low166 Ų166142.1 Ų142.177%0.76979%0.791SS**  trans-86.4149.7-164.5-70.3-125.8000112.7
106S26.2Very low33.4Very low129 Ų129139.4 Ų139.490%0.90279%0.787SS**  trans-154.771.7150.1-80.90000110.2N108S106-N108 PolarHBondContact O-N 3.03Å
107S32.7Very low33.5Very low118 Ų118134.9 Ų134.983%0.82578%0.777SS**  trans-79.8105.9163.2-57.40000108
108N26.2Very low34.4Very low162 Ų162137 Ų13787%0.86679%0.788SS**  trans-110130.4160.8-16829.3000108.7S106S106-N108 PolarHBondContact O-N 3.03Å
109S31.8Very low34.6Very low74 Ų74136.4 Ų136.452%0.51778%0.781SS.*  trans-129.2154.5-174.1-175.30000109.8
110H34.9Very low35.3Very low173 Ų173135 Ų13580%0.80179%0.785SS**  trans70.1108.7176-42.3-71.9000116.2
111S28.2Very low36Very low124 Ų124137.3 Ų137.387%0.86779%0.786SS**  trans-143.6107.9138.8-88.50000107.7
112N39.4Very low36.8Very low154 Ų154135.2 Ų135.282%0.82478%0.777SS**  trans-107.8115.2174.7-157.438.4000107.1
113P43.9Very low38.1Very low112 Ų112132 Ų13273%0.72775%0.753SS**  trans-119.592.5172.835.3-23000112K115P113-K115 VanDerWaalsContact C-N 3.31Å; P113-K115 PolarHBondContact O-N 3.29Å; P113-K115 VanDerWaalsContact O-N 3.08Å
114S35.8Very low38.9Very low108 Ų108127.5 Ų127.576%0.75572%0.722SS**  trans-81.869.8169.3-58.30000111.7
115K37.8Very low40Very low181 Ų181125.2 Ų125.279%0.78771%0.711SS**SBendtrans-174.9130.3155.8-112.4169.3-176.5-177.80115.5P113P113-K115 VanDerWaalsContact C-N 3.31Å; P113-K115 PolarHBondContact O-N 3.29Å; P113-K115 VanDerWaalsContact O-N 3.08Å
116T39.1Very low42.1Very low133 Ų133118 Ų11882%0.81668%0.678SS**  trans34.998.4142.757.40000119.4
117S33.8Very low44.8Very low99 Ų99113.4 Ų113.469%0.69264%0.641SS**  trans-148.1116.1146.654.70000109.3T119S117-T119 PolarHBondContact O-N 3.08Å; S117-T119 VanDerWaalsContact O-N 3.11Å; S117-T119 PolarHBondContact O-OG1 2.99Å; S117-T119 VanDerWaalsContact O-OG1 3.08Å
118D45.6Very low47.1Very low177 Ų177109.1 Ų109.195%0.94761%0.611SS**  trans-70.2106.8-175.3-159.3-8.8000110.2
119T41.6Very low50.1Low94 Ų94105.8 Ų105.858%0.57759%0.59SS**  trans-144.6126.2-171.9-39.40000108.4S117 Y121S117-T119 PolarHBondContact O-N 3.08Å; S117-T119 VanDerWaalsContact O-N 3.11Å; S117-T119 PolarHBondContact O-OG1 2.99Å; S117-T119 VanDerWaalsContact O-OG1 3.08Å; T119-Y121 PolarHBondContact O-N 3.29Å
120P47.4Very low52.7Low123 Ų123105.6 Ų105.680%0.79958%0.581SS**  trans-59.1112.6-179-2736000112.4E122P120-E122 PolarHBondContact O-N 3.25Å; P120-E122 VanDerWaalsContact O-N 3.14Å
121Y46.2Very low55.3Low173 Ų173103.1 Ų103.168%0.67857%0.572SS**  trans-76101-177.3-163.1-87.7000110.3T119T119-Y121 PolarHBondContact O-N 3.29Å
122E52.3Low57.9Low131 Ų13198.1 Ų98.161%0.61254%0.537SS*.  trans-63.7125.8-173.9-115.9-64.3121.900111.7P120 G124 R158P120-E122 PolarHBondContact O-N 3.25Å; P120-E122 VanDerWaalsContact O-N 3.14Å; E122-G124 PolarHBondContact O-N 3.23Å; E122-R158 IonicContact OE2-NH2 2.57Å
123P54.4Low59.6Low60 Ų6097.4 Ų97.439%0.3954%0.544SS..THydrogen-bonded Turntrans-59.316.8-172.7-3239.4000120.8
124G53.3Low61Low7 Ų796 Ų967%0.07254%0.537CS..THydrogen-bonded Turntrans-125.3-7.2-16100000117.7E122 R158E122-G124 PolarHBondContact O-N 3.23Å; G124-R158 VanDerWaalsContact CA-NH1 3.31Å; G124-R158 PolarHBondContact O-NH1 3.18Å
125D58.1Low63.3Low131 Ų13193.7 Ų93.770%0.70153%0.531SS*.SBendtrans-79.2-8.3161.8-82.59.3000111.4W127D125-W127 PolarHBondContact O-N 2.87Å; D125-W127 VanDerWaalsContact O-N 3.15Å
126D76.5Confident65.6Low16 Ų1691.4 Ų91.49%0.08652%0.521CS..SBendtrans-73.32.6-178-64.2-54.8000114.7N141 C142 R143D126-N141 CarbonylContact O-C 3.38Å; D126-N141 WeakPolarHBondContact O-CA 3.34Å; D126-C142 PolarHBondContact O-N 2.88Å; D126-R143 HydrophobicContact CB-CB 3.81Å; D126-R143 WeakPolarHBondContact OD2-CD 3.4Å; D126-R143 IonicContact OD2-CZ 3.9Å; D126-R143 IonicContact OD2-NE 3.1Å; D126-R143 PolarHBondContact OD2-NE 3.43Å; D126-R143 IonicContact OD2-NH1 2.68Å; D126-R143 PolarHBondContact OD2-NH1 2.92Å
127W82.8Confident68Low32 Ų3289.4 Ų89.412%0.12150%0.501CS..EExtended strand (participates in β ladder)trans-111.9137.2-179.6-68.493.3000112.7D125 Y140 N141 V146 Q148 P152 W155D125-W127 PolarHBondContact O-N 2.87Å; D125-W127 VanDerWaalsContact O-N 3.15Å; W127-Y140 CarbonylContact C-O 3.53Å; W127-Y140 WeakPolarHBondContact CA-O 3.25Å; W127-Y140 VanDerWaalsContact CE3-C 3.48Å; W127-N141 HydrophobicContact CD2-CB 3.73Å; W127-N141 HydrophobicContact CE3-CB 3.64Å; W127-N141 HydrophobicContact CG-CB 4.45Å; W127-N141 HydrophobicContact CH2-CB 3.8Å; W127-N141 HydrophobicContact CZ2-CB 3.93Å; W127-N141 HydrophobicContact CZ3-CB 3.67Å; W127-N141 PolarHBondContact NE1-ND2 3.42Å; W127-N141 VanDerWaalsContact NE1-ND2 3.14Å; W127-V146 HydrophobicContact CH2-CG1 4.34Å; W127-Q148 HydrophobicContact CH2-CG 4.1Å; W127-Q148 VanDerWaalsContact CH2-NE2 3.3Å; W127-Q148 HydrophobicContact CZ3-CG 4.29Å; W127-P152 HydrophobicContact CD2-CB 4.11Å; W127-P152 HydrophobicContact CD2-CG 3.58Å; W127-P152 HydrophobicContact CE3-CB 4.44Å; W127-P152 HydrophobicContact CE3-CG 3.48Å; W127-P152 VanDerWaalsContact CE3-CG 3.48Å; W127-P152 HydrophobicContact CG-CG 4.34Å; W127-P152 HydrophobicContact CH2-CB 4.3Å; W127-P152 HydrophobicContact CH2-CG 3.79Å; W127-P152 HydrophobicContact CZ2-CB 3.88Å; W127-P152 HydrophobicContact CZ2-CG 3.82Å; W127-P152 HydrophobicContact CZ3-CG 3.6Å; W127-W155 HydrophobicContact CB-CE3 3.51Å; W127-W155 HydrophobicContact CB-CZ3 3.48Å; W127-W155 VanDerWaalsContact CB-CZ3 3.48Å; W127-W155 HydrophobicContact CG-CE3 4.35Å; W127-W155 WeakPolarHBondContact O-CH2 3.49Å; W127-W155 VanDerWaalsContact O-CZ3 3.26Å; W127-W155 WeakPolarHBondContact O-CZ3 3.49Å
128S81Confident70.6Confident27 Ų2787.3 Ų87.319%0.18948%0.478CS..EExtended strand (participates in β ladder)trans-114.9159.9170.271.40000112.4H130 Y139 Y140S128-H130 PolarHBondContact OG-CD2 3.41Å; S128-H130 PolarHBondContact OG-CE1 3.38Å; S128-H130 PolarHBondContact OG-NE2 3.08Å; S128-Y139 CarbonylContact O-C 3.53Å; S128-Y139 WeakPolarHBondContact O-CA 3.46Å; S128-Y140 PolarHBondContact N-O 3.12Å; S128-Y140 PolarHBondContact O-N 2.95Å
129E88.5Confident72.7Confident92 Ų9280 Ų8043%0.4344%0.437SS..EExtended strand (participates in β ladder)trans-110119.7176.2177.8-178.9139.200110.3K137 Y139 W155E129-K137 HydrophobicContact CG-CD 4.19Å; E129-K137 HydrophobicContact CG-CG 4.08Å; E129-K137 WeakPolarHBondContact OE1-CD 3.4Å; E129-K137 WeakPolarHBondContact OE1-CE 3.45Å; E129-K137 IonicContact OE1-NZ 2.71Å; E129-K137 PolarHBondContact OE1-NZ 3.11Å; E129-K137 WeakPolarHBondContact OE2-CE 3.29Å; E129-K137 IonicContact OE2-NZ 2.7Å; E129-K137 PolarHBondContact OE2-NZ 3Å; E129-Y139 HydrophobicContact CG-CE1 4.42Å; E129-W155 HydrophobicContact CB-CH2 4.44Å
130H86.5Confident74.8Confident71 Ų7178.3 Ų78.333%0.32942%0.421SS..EExtended strand (participates in β ladder)trans-123.9164-178.4-65.5176.2000111.2S128 K137 Y138S128-H130 PolarHBondContact OG-CD2 3.41Å; S128-H130 PolarHBondContact OG-CE1 3.38Å; S128-H130 PolarHBondContact OG-NE2 3.08Å; H130-K137 CarbonylContact O-C 3.56Å; H130-K137 WeakPolarHBondContact O-CA 3.29Å; H130-Y138 HydrophobicContact CB-CD1 4Å; H130-Y138 HydrophobicContact CB-CD2 4.26Å; H130-Y138 HydrophobicContact CB-CE1 3.43Å; H130-Y138 VanDerWaalsContact CB-CE1 3.43Å; H130-Y138 HydrophobicContact CB-CE2 3.74Å; H130-Y138 HydrophobicContact CB-CG 4.38Å; H130-Y138 WeakPolarHBondContact CB-OH 3.04Å; H130-Y138 AromaticContact CG-CZ 3.92Å; H130-Y138 PolarHBondContact N-O 3.03Å; H130-Y138 AromaticContact ND1-CE2 3.81Å; H130-Y138 AromaticContact ND1-CZ 3.67Å; H130-Y138 PolarHBondContact ND1-OH 3.23Å; H130-Y138 PolarHBondContact O-N 2.99Å; H130-Y138 VanDerWaalsContact O-O 3.09Å
131I88.4Confident76.7Confident120 Ų12072.8 Ų72.862%0.61538%0.384SS*.EExtended strand (participates in β ladder)trans-118.1135.6175.8-55.9177.4000109
132S83.3Confident78.3Confident20 Ų2068.2 Ų68.214%0.1438%0.377CS..  trans-76.3165.5177.878.70000112.7S134 G135 K136S132-S134 PolarHBondContact O-N 3.47Å; S132-S134 PolarHBondContact OG-N 3.41Å; S132-S134 VanDerWaalsContact OG-N 3.1Å; S132-S134 PolarHBondContact OG-OG 3.36Å; S132-G135 PolarHBondContact O-N 3.49Å; S132-G135 PolarHBondContact OG-N 3.04Å; S132-K136 WeakPolarHBondContact CB-O 3.26Å; S132-K136 PolarHBondContact N-O 3.11Å; S132-K136 PolarHBondContact OG-N 3.14Å; S132-K136 PolarHBondContact OG-O 3.24Å
133S74.4Confident79.5Confident138 Ų13868.2 Ų68.297%0.96537%0.371SS*.THydrogen-bonded Turntrans-60.1-11.1168.5530000114.7
134S74.1Confident80.6Confident82 Ų8268.6 Ų68.657%0.57337%0.372SS*.THydrogen-bonded Turntrans-103.217.317246.30000113.1S132 K136S132-S134 PolarHBondContact O-N 3.47Å; S132-S134 PolarHBondContact OG-N 3.41Å; S132-S134 VanDerWaalsContact OG-N 3.1Å; S132-S134 PolarHBondContact OG-OG 3.36Å; S134-K136 PolarHBondContact O-N 3.16Å
135G85.1Confident82Confident61 Ų6172.4 Ų72.463%0.62939%0.388SS*.SBendtrans71.99.6178.800000114.6S132S132-G135 PolarHBondContact O-N 3.49Å; S132-G135 PolarHBondContact OG-N 3.04Å
136K85.2Confident82.8Confident132 Ų13266.4 Ų66.457%0.57436%0.356SS*.  trans-93.7122.6-176.5-64.9-172.4178.4-173.70111S132 S134 W149S132-K136 WeakPolarHBondContact CB-O 3.26Å; S132-K136 PolarHBondContact N-O 3.11Å; S132-K136 PolarHBondContact OG-N 3.14Å; S132-K136 PolarHBondContact OG-O 3.24Å; S134-K136 PolarHBondContact O-N 3.16Å; K136-W149 HydrophobicContact CB-CE3 4.33Å; K136-W149 HydrophobicContact CB-CZ3 3.8Å
137K90.3Very high83.3Confident91 Ų9167.8 Ų67.840%0.39637%0.368SS..EExtended strand (participates in β ladder)trans-60.4134.2171.9177.3162.4163.4151.70110.8E129 H130 Y139E129-K137 HydrophobicContact CG-CD 4.19Å; E129-K137 HydrophobicContact CG-CG 4.08Å; E129-K137 WeakPolarHBondContact OE1-CD 3.4Å; E129-K137 WeakPolarHBondContact OE1-CE 3.45Å; E129-K137 IonicContact OE1-NZ 2.71Å; E129-K137 PolarHBondContact OE1-NZ 3.11Å; E129-K137 WeakPolarHBondContact OE2-CE 3.29Å; E129-K137 IonicContact OE2-NZ 2.7Å; E129-K137 PolarHBondContact OE2-NZ 3Å; H130-K137 CarbonylContact O-C 3.56Å; H130-K137 WeakPolarHBondContact O-CA 3.29Å; K137-Y139 WeakPolarHBondContact CE-OH 3.36Å
138Y88.3Confident83.4Confident56 Ų5668.5 Ų68.522%0.2237%0.372CS..EExtended strand (participates in β ladder)trans-141.6160173.973.4-87.2000110H130 W149H130-Y138 HydrophobicContact CB-CD1 4Å; H130-Y138 HydrophobicContact CB-CD2 4.26Å; H130-Y138 HydrophobicContact CB-CE1 3.43Å; H130-Y138 VanDerWaalsContact CB-CE1 3.43Å; H130-Y138 HydrophobicContact CB-CE2 3.74Å; H130-Y138 HydrophobicContact CB-CG 4.38Å; H130-Y138 WeakPolarHBondContact CB-OH 3.04Å; H130-Y138 AromaticContact CG-CZ 3.92Å; H130-Y138 PolarHBondContact N-O 3.03Å; H130-Y138 AromaticContact ND1-CE2 3.81Å; H130-Y138 AromaticContact ND1-CZ 3.67Å; H130-Y138 PolarHBondContact ND1-OH 3.23Å; H130-Y138 PolarHBondContact O-N 2.99Å; H130-Y138 VanDerWaalsContact O-O 3.09Å; Y138-W149 HydrophobicContact CD1-CZ3 4.32Å; Y138-W149 HydrophobicContact CG-CZ3 4.44Å
139Y89Confident83.6Confident22 Ų2274.8 Ų74.89%0.08639%0.392CS..EExtended strand (participates in β ladder)trans-115.9132.3-176.1-50.9-91.4000108.7S128 E129 K137 S147 Q148 E150 K151 P152 W155S128-Y139 CarbonylContact O-C 3.53Å; S128-Y139 WeakPolarHBondContact O-CA 3.46Å; E129-Y139 HydrophobicContact CG-CE1 4.42Å; K137-Y139 WeakPolarHBondContact CE-OH 3.36Å; Y139-S147 CarbonylContact O-C 3.6Å; Y139-S147 WeakPolarHBondContact O-CA 3.33Å; Y139-Q148 PolarHBondContact N-O 3.14Å; Y139-Q148 PolarHBondContact O-N 3.49Å; Y139-E150 WeakPolarHBondContact CD2-O 3.3Å; Y139-K151 HydrophobicContact CD1-CG 4.46Å; Y139-K151 HydrophobicContact CD2-CB 4.39Å; Y139-K151 HydrophobicContact CE1-CB 4.28Å; Y139-K151 HydrophobicContact CE1-CD 4.19Å; Y139-K151 HydrophobicContact CE1-CG 3.89Å; Y139-K151 VanDerWaalsContact CE2-CA 3.4Å; Y139-K151 HydrophobicContact CE2-CB 3.74Å; Y139-K151 HydrophobicContact CE2-CG 4.27Å; Y139-P152 HydrophobicContact CG-CG 4.4Å; Y139-W155 HydrophobicContact CD1-CE3 4.22Å; Y139-W155 HydrophobicContact CD1-CZ3 4.33Å
140Y86.4Confident83.3Confident60 Ų6077.3 Ų77.324%0.23540%0.404CS..EExtended strand (participates in β ladder)trans-120.8129.4-176.4172.6-103.7000110W127 S128 C142 E145 V146W127-Y140 CarbonylContact C-O 3.53Å; W127-Y140 WeakPolarHBondContact CA-O 3.25Å; W127-Y140 VanDerWaalsContact CE3-C 3.48Å; S128-Y140 PolarHBondContact N-O 3.12Å; S128-Y140 PolarHBondContact O-N 2.95Å; Y140-C142 HydrophobicContact CE1-CB 4.41Å; Y140-E145 HydrophobicContact CE2-CB 4.49Å; Y140-V146 CarbonylContact C-O 3.51Å; Y140-V146 WeakPolarHBondContact CA-O 3.3Å
141N85.8Confident83.2Confident6 Ų676.9 Ų76.93%0.03240%0.401CS..EExtended strand (participates in β ladder)trans-91.4111.8174.2-169.1-72.7000109.6D126 W127 R143 T144 E145 V146D126-N141 CarbonylContact O-C 3.38Å; D126-N141 WeakPolarHBondContact O-CA 3.34Å; W127-N141 HydrophobicContact CD2-CB 3.73Å; W127-N141 HydrophobicContact CE3-CB 3.64Å; W127-N141 HydrophobicContact CG-CB 4.45Å; W127-N141 HydrophobicContact CH2-CB 3.8Å; W127-N141 HydrophobicContact CZ2-CB 3.93Å; W127-N141 HydrophobicContact CZ3-CB 3.67Å; W127-N141 PolarHBondContact NE1-ND2 3.42Å; W127-N141 VanDerWaalsContact NE1-ND2 3.14Å; N141-R143 PolarHBondContact O-N 3.03Å; N141-R143 WeakPolarHBondContact OD1-CA 3.35Å; N141-R143 WeakPolarHBondContact OD1-CB 3.33Å; N141-R143 PolarHBondContact OD1-N 2.82Å; N141-T144 VanDerWaalsContact CB-OG1 3.31Å; N141-T144 WeakPolarHBondContact CB-OG1 3.42Å; N141-T144 VanDerWaalsContact CG-OG1 3.32Å; N141-T144 PolarHBondContact O-N 3.17Å; N141-T144 PolarHBondContact OD1-N 3.34Å; N141-T144 PolarHBondContact OD1-OG1 3.35Å; N141-E145 VanDerWaalsContact O-CA 3.31Å; N141-E145 WeakPolarHBondContact O-CA 3.25Å; N141-E145 PolarHBondContact O-N 2.83Å; N141-V146 PolarHBondContact N-O 2.68Å
142C80.7Confident82.8Confident77 Ų7771.3 Ų71.352%0.5237%0.373SS..THydrogen-bonded Turntrans-63-24.7179.1-63.30000113.4D126 Y140D126-C142 PolarHBondContact O-N 2.88Å; Y140-C142 HydrophobicContact CE1-CB 4.41Å
143R76.9Confident82.2Confident132 Ų13278.7 Ų78.750%0.49840%0.402SS..THydrogen-bonded Turntrans-91.6-29.8-178.3-168.9-179.474.1-175.812.9113.9D126 N141D126-R143 HydrophobicContact CB-CB 3.81Å; D126-R143 WeakPolarHBondContact OD2-CD 3.4Å; D126-R143 IonicContact OD2-CZ 3.9Å; D126-R143 IonicContact OD2-NE 3.1Å; D126-R143 PolarHBondContact OD2-NE 3.43Å; D126-R143 IonicContact OD2-NH1 2.68Å; D126-R143 PolarHBondContact OD2-NH1 2.92Å; N141-R143 PolarHBondContact O-N 3.03Å; N141-R143 WeakPolarHBondContact OD1-CA 3.35Å; N141-R143 WeakPolarHBondContact OD1-CB 3.33Å; N141-R143 PolarHBondContact OD1-N 2.82Å
144T78.6Confident82Confident67 Ų6776.9 Ų76.941%0.41138%0.379SS..THydrogen-bonded Turntrans-109.3-0.9-178.767.30000113.9N141 V146N141-T144 VanDerWaalsContact CB-OG1 3.31Å; N141-T144 WeakPolarHBondContact CB-OG1 3.42Å; N141-T144 VanDerWaalsContact CG-OG1 3.32Å; N141-T144 PolarHBondContact O-N 3.17Å; N141-T144 PolarHBondContact OD1-N 3.34Å; N141-T144 PolarHBondContact OD1-OG1 3.35Å; T144-V146 PolarHBondContact O-N 3.41Å; T144-V146 VanDerWaalsContact O-N 3.14Å; T144-V146 WeakPolarHBondContact OG1-CB 3.3Å; T144-V146 WeakPolarHBondContact OG1-CG2 3.5Å
145E82.4Confident81.7Confident87 Ų8776 Ų7641%0.40736%0.363SS..  trans54.119.7-171.7-56.1-159.5142.300114.6K7 Y140 N141K7-E145 IonicContact NZ-OE1 2.66Å; K7-E145 PolarHBondContact NZ-OE1 2.97Å; K7-E145 IonicContact NZ-OE2 3.69Å; K7-E145 PolarHBondContact NZ-OE2 3.02Å; Y140-E145 HydrophobicContact CE2-CB 4.49Å; N141-E145 VanDerWaalsContact O-CA 3.31Å; N141-E145 WeakPolarHBondContact O-CA 3.25Å; N141-E145 PolarHBondContact O-N 2.83Å
146V75.4Confident81.2Confident5 Ų578 Ų783%0.0336%0.358CS..  trans-87.5130-177.6168.80000111.5V2 Y4 W127 Y140 N141 T144 Q148V2-V146 HydrophobicContact CG1-CG1 3.65Å; V2-V146 HydrophobicContact CG1-CG2 4.15Å; Y4-V146 HydrophobicContact CD1-CG2 3.69Å; Y4-V146 HydrophobicContact CE1-CG2 3.35Å; W127-V146 HydrophobicContact CH2-CG1 4.34Å; Y140-V146 CarbonylContact C-O 3.51Å; Y140-V146 WeakPolarHBondContact CA-O 3.3Å; N141-V146 PolarHBondContact N-O 2.68Å; T144-V146 PolarHBondContact O-N 3.41Å; T144-V146 VanDerWaalsContact O-N 3.14Å; T144-V146 WeakPolarHBondContact OG1-CB 3.3Å; T144-V146 WeakPolarHBondContact OG1-CG2 3.5Å; V146-Q148 HydrophobicContact CG1-CG 3.88Å
147S85.4Confident80.6Confident46 Ų4676.8 Ų76.832%0.32236%0.355SS..EExtended strand (participates in β ladder)trans-102.6139.7166.157.20000111.9Y139Y139-S147 CarbonylContact O-C 3.6Å; Y139-S147 WeakPolarHBondContact O-CA 3.33Å
148Q85.8Confident79.3Confident46 Ų4675.2 Ų75.222%0.21535%0.346CS..EExtended strand (participates in β ladder)trans-133.7140.9175.3-58.5-159.295.500111.1W127 Y139 V146W127-Q148 HydrophobicContact CH2-CG 4.1Å; W127-Q148 VanDerWaalsContact CH2-NE2 3.3Å; W127-Q148 HydrophobicContact CZ3-CG 4.29Å; Y139-Q148 PolarHBondContact N-O 3.14Å; Y139-Q148 PolarHBondContact O-N 3.49Å; V146-Q148 HydrophobicContact CG1-CG 3.88Å
149W86.2Confident78.5Confident160 Ų16076.8 Ų76.861%0.60636%0.356SS*.SBendtrans-84.2-21.4175.6-6399.7000113.1K136 Y138K136-W149 HydrophobicContact CB-CE3 4.33Å; K136-W149 HydrophobicContact CB-CZ3 3.8Å; Y138-W149 HydrophobicContact CD1-CZ3 4.32Å; Y138-W149 HydrophobicContact CG-CZ3 4.44Å
150E81.8Confident77.6Confident145 Ų14580.5 Ų80.568%0.67837%0.374SS*.SBendtrans-92.5147.5174-69.1157.3-134.300109.5Y139 P152Y139-E150 WeakPolarHBondContact CD2-O 3.3Å; E150-P152 WeakPolarHBondContact O-CD 3.36Å
151K84.2Confident76.4Confident62 Ų6285.2 Ų85.227%0.2739%0.391SS..PPolyproline II helixtrans-68.1123.4179.4-171.6165.7177.9171.30109.8Y139 W155 E159Y139-K151 HydrophobicContact CD1-CG 4.46Å; Y139-K151 HydrophobicContact CD2-CB 4.39Å; Y139-K151 HydrophobicContact CE1-CB 4.28Å; Y139-K151 HydrophobicContact CE1-CD 4.19Å; Y139-K151 HydrophobicContact CE1-CG 3.89Å; Y139-K151 VanDerWaalsContact CE2-CA 3.4Å; Y139-K151 HydrophobicContact CE2-CB 3.74Å; Y139-K151 HydrophobicContact CE2-CG 4.27Å; K151-W155 HydrophobicContact CG-CB 4.46Å; K151-E159 IonicContact NZ-OE2 2.66Å; K151-E159 PolarHBondContact NZ-OE2 3.12Å
152P80Confident75.3Confident3 Ų390.8 Ų90.82%0.01942%0.417CS..PPolyproline II helixtrans-55.7140.3179.5-24.532.6000111.7W127 Y139 E150 E154 W155 L156W127-P152 HydrophobicContact CD2-CB 4.11Å; W127-P152 HydrophobicContact CD2-CG 3.58Å; W127-P152 HydrophobicContact CE3-CB 4.44Å; W127-P152 HydrophobicContact CE3-CG 3.48Å; W127-P152 VanDerWaalsContact CE3-CG 3.48Å; W127-P152 HydrophobicContact CG-CG 4.34Å; W127-P152 HydrophobicContact CH2-CB 4.3Å; W127-P152 HydrophobicContact CH2-CG 3.79Å; W127-P152 HydrophobicContact CZ2-CB 3.88Å; W127-P152 HydrophobicContact CZ2-CG 3.82Å; W127-P152 HydrophobicContact CZ3-CG 3.6Å; Y139-P152 HydrophobicContact CG-CG 4.4Å; E150-P152 WeakPolarHBondContact O-CD 3.36Å; P152-E154 VanDerWaalsContact CB-OE2 3.23Å; P152-E154 WeakPolarHBondContact CB-OE2 3.37Å; P152-E154 PolarHBondContact O-N 3.28Å; P152-W155 HydrophobicContact CB-CB 4.45Å; P152-W155 WeakPolarHBondContact O-CB 3.37Å; P152-W155 PolarHBondContact O-N 3.49Å; P152-W155 VanDerWaalsContact O-N 3.08Å; P152-L156 PolarHBondContact O-N 2.74Å
153K70.9Confident74.5Confident174 Ų17494.1 Ų94.176%0.75742%0.423SS*.Hα-helixtrans-65-32.7-178-67.8-177.8178.6-179.80111.1W155 L156 E157K153-W155 PolarHBondContact O-N 2.62Å; K153-L156 PolarHBondContact O-N 2.92Å; K153-L156 VanDerWaalsContact O-N 3.13Å; K153-E157 PolarHBondContact O-N 3.43Å
154E69Low73.6Confident101 Ų10192.8 Ų92.847%0.47242%0.422SS..Hα-helixtrans-66.9-24177.3-50.672.7-159.300112P152 R158P152-E154 VanDerWaalsContact CB-OE2 3.23Å; P152-E154 WeakPolarHBondContact CB-OE2 3.37Å; P152-E154 PolarHBondContact O-N 3.28Å; E154-R158 PolarHBondContact O-NH1 3.41Å
155W67.9Low72.7Confident63 Ų6392.1 Ų92.124%0.23942%0.424CS..Hα-helixtrans-83.4-44.8168-159.9-41.4000110.5W127 E129 Y139 K151 P152 K153 E157 R158 E159W127-W155 HydrophobicContact CB-CE3 3.51Å; W127-W155 HydrophobicContact CB-CZ3 3.48Å; W127-W155 VanDerWaalsContact CB-CZ3 3.48Å; W127-W155 HydrophobicContact CG-CE3 4.35Å; W127-W155 WeakPolarHBondContact O-CH2 3.49Å; W127-W155 VanDerWaalsContact O-CZ3 3.26Å; W127-W155 WeakPolarHBondContact O-CZ3 3.49Å; E129-W155 HydrophobicContact CB-CH2 4.44Å; Y139-W155 HydrophobicContact CD1-CE3 4.22Å; Y139-W155 HydrophobicContact CD1-CZ3 4.33Å; K151-W155 HydrophobicContact CG-CB 4.46Å; P152-W155 HydrophobicContact CB-CB 4.45Å; P152-W155 WeakPolarHBondContact O-CB 3.37Å; P152-W155 PolarHBondContact O-N 3.49Å; P152-W155 VanDerWaalsContact O-N 3.08Å; K153-W155 PolarHBondContact O-N 2.62Å; W155-E157 VanDerWaalsContact C-N 3.3Å; W155-E157 PolarHBondContact O-N 2.9Å; W155-R158 CarbonylContact O-C 3.58Å; W155-R158 WeakPolarHBondContact O-CA 3.31Å; W155-R158 WeakPolarHBondContact O-CB 3.37Å; W155-R158 PolarHBondContact O-N 2.92Å; W155-E159 PolarHBondContact O-N 2.82Å
156L74.4Confident71.6Confident103 Ų10392.1 Ų92.154%0.53943%0.43SS..Hα-helixtrans-62.3-37.1-177.4-164.4139.1000112.1P152 K153 E159 Q160P152-L156 PolarHBondContact O-N 2.74Å; K153-L156 PolarHBondContact O-N 2.92Å; K153-L156 VanDerWaalsContact O-N 3.13Å; L156-E159 PolarHBondContact O-N 2.93Å; L156-Q160 WeakPolarHBondContact O-CB 3.38Å; L156-Q160 PolarHBondContact O-N 2.91Å
157E72.6Confident70.7Confident107 Ų10799.5 Ų99.550%0.546%0.461SS..Hα-helixtrans-66.4-35.8171-161.5-164.6137.600112.5K153 W155 Q160 R161K153-E157 PolarHBondContact O-N 3.43Å; W155-E157 VanDerWaalsContact C-N 3.3Å; W155-E157 PolarHBondContact O-N 2.9Å; E157-Q160 WeakPolarHBondContact O-CB 3.22Å; E157-Q160 PolarHBondContact O-N 3.38Å; E157-R161 VanDerWaalsContact O-CB 3.25Å; E157-R161 WeakPolarHBondContact O-CB 3.41Å; E157-R161 PolarHBondContact O-N 3.44Å; E157-R161 IonicContact OE1-CZ 3.55Å; E157-R161 IonicContact OE1-NE 3.68Å; E157-R161 IonicContact OE1-NH2 3.27Å; E157-R161 PolarHBondContact OE1-NH2 2.87Å
158R64Low69.2Low57 Ų57100.8 Ų100.822%0.21547%0.47CS..Hα-helixtrans-68.5-38.5174.8178.7174.4-70.576.224.2112.3E122 G124 E154 W155 R161 Q162E122-R158 IonicContact OE2-NH2 2.57Å; G124-R158 VanDerWaalsContact CA-NH1 3.31Å; G124-R158 PolarHBondContact O-NH1 3.18Å; E154-R158 PolarHBondContact O-NH1 3.41Å; W155-R158 CarbonylContact O-C 3.58Å; W155-R158 WeakPolarHBondContact O-CA 3.31Å; W155-R158 WeakPolarHBondContact O-CB 3.37Å; W155-R158 PolarHBondContact O-N 2.92Å; R158-R161 PolarHBondContact O-N 3.23Å; R158-Q162 WeakPolarHBondContact O-CB 3.33Å; R158-Q162 WeakPolarHBondContact O-CG 3.26Å; R158-Q162 PolarHBondContact O-N 3.15Å
159E71.3Confident67.8Low89 Ų89101.3 Ų101.342%0.41648%0.483SS..Hα-helixtrans-66.5-42173.6-169.4178.2128.800111K151 W155 L156 Q162 K163K151-E159 IonicContact NZ-OE2 2.66Å; K151-E159 PolarHBondContact NZ-OE2 3.12Å; W155-E159 PolarHBondContact O-N 2.82Å; L156-E159 PolarHBondContact O-N 2.93Å; E159-Q162 PolarHBondContact O-N 2.87Å; E159-K163 WeakPolarHBondContact O-CB 3.44Å; E159-K163 PolarHBondContact O-N 2.7Å
160Q69.2Low66.2Low101 Ų10198.5 Ų98.547%0.47248%0.483SS..Hα-helixtrans-56.8-51.5171.1-175.873.720.900111L156 E157 Q162 K163 E164L156-Q160 WeakPolarHBondContact O-CB 3.38Å; L156-Q160 PolarHBondContact O-N 2.91Å; E157-Q160 WeakPolarHBondContact O-CB 3.22Å; E157-Q160 PolarHBondContact O-N 3.38Å; Q160-Q162 PolarHBondContact O-N 3.17Å; Q160-K163 WeakPolarHBondContact O-CB 3.46Å; Q160-K163 PolarHBondContact O-N 3.47Å; Q160-K163 VanDerWaalsContact O-N 3.17Å; Q160-E164 PolarHBondContact NE2-OE1 2.81Å; Q160-E164 WeakPolarHBondContact O-CB 3.44Å; Q160-E164 WeakPolarHBondContact O-CG 3.33Å; Q160-E164 PolarHBondContact O-N 3.49Å
161R62.7Low64.9Low158 Ų15896.9 Ų96.960%0.59648%0.483SS*.Hα-helixtrans-66.2-36.5-178.3-163.5-178.2-66-146.95.2112.7E157 R158 A165E157-R161 VanDerWaalsContact O-CB 3.25Å; E157-R161 WeakPolarHBondContact O-CB 3.41Å; E157-R161 PolarHBondContact O-N 3.44Å; E157-R161 IonicContact OE1-CZ 3.55Å; E157-R161 IonicContact OE1-NE 3.68Å; E157-R161 IonicContact OE1-NH2 3.27Å; E157-R161 PolarHBondContact OE1-NH2 2.87Å; R158-R161 PolarHBondContact O-N 3.23Å; R161-A165 VanDerWaalsContact O-CB 3.26Å; R161-A165 WeakPolarHBondContact O-CB 3.45Å; R161-A165 PolarHBondContact O-N 3.5Å
162Q61.3Low63.4Low124 Ų124101.2 Ų101.258%0.57951%0.509SS*.Hα-helixtrans-68.1-38.6171.4-78.7-177-7.800112.1R158 E159 Q160 E164 A165 T166R158-Q162 WeakPolarHBondContact O-CB 3.33Å; R158-Q162 WeakPolarHBondContact O-CG 3.26Å; R158-Q162 PolarHBondContact O-N 3.15Å; E159-Q162 PolarHBondContact O-N 2.87Å; Q160-Q162 PolarHBondContact O-N 3.17Å; Q162-E164 VanDerWaalsContact C-N 3.34Å; Q162-A165 PolarHBondContact O-N 2.72Å; Q162-T166 VanDerWaalsContact O-CB 3.3Å; Q162-T166 WeakPolarHBondContact O-CB 3.47Å; Q162-T166 PolarHBondContact O-N 3.29Å; Q162-T166 PolarHBondContact O-OG1 2.89Å
163K64Low61.8Low146 Ų146105.1 Ų105.164%0.63554%0.536SS*.Hα-helixtrans-67.7-35.8177-166.2171.9-170.2170.90111.5E159 Q160 K167E159-K163 WeakPolarHBondContact O-CB 3.44Å; E159-K163 PolarHBondContact O-N 2.7Å; Q160-K163 WeakPolarHBondContact O-CB 3.46Å; Q160-K163 PolarHBondContact O-N 3.47Å; Q160-K163 VanDerWaalsContact O-N 3.17Å; K163-K167 VanDerWaalsContact O-CB 3.3Å; K163-K167 WeakPolarHBondContact O-CB 3.16Å; K163-K167 PolarHBondContact O-N 3.14Å
164E59.6Low59.9Low104 Ų104106.3 Ų106.349%0.48654%0.542SS..Hα-helixtrans-71.2-44.7172.1-73.5168.4-175.700112.2Q160 Q162 T166 K167 S168Q160-E164 PolarHBondContact NE2-OE1 2.81Å; Q160-E164 WeakPolarHBondContact O-CB 3.44Å; Q160-E164 WeakPolarHBondContact O-CG 3.33Å; Q160-E164 PolarHBondContact O-N 3.49Å; Q162-E164 VanDerWaalsContact C-N 3.34Å; E164-T166 VanDerWaalsContact C-N 3.32Å; E164-T166 PolarHBondContact O-N 3.23Å; E164-K167 WeakPolarHBondContact O-CB 3.45Å; E164-K167 PolarHBondContact O-N 2.85Å; E164-K167 VanDerWaalsContact O-N 3.12Å; E164-S168 PolarHBondContact O-N 3.27Å; E164-S168 PolarHBondContact O-OG 2.94Å
165A59Low59.1Low54 Ų54106.3 Ų106.345%0.44655%0.551SS.*Hα-helixtrans-63.2-35.8174.300000112.8R161 Q162 S168 A169R161-A165 VanDerWaalsContact O-CB 3.26Å; R161-A165 WeakPolarHBondContact O-CB 3.45Å; R161-A165 PolarHBondContact O-N 3.5Å; Q162-A165 PolarHBondContact O-N 2.72Å; A165-S168 PolarHBondContact O-OG 2.78Å; A165-A169 VanDerWaalsContact O-CB 3.29Å; A165-A169 WeakPolarHBondContact O-CB 3.15Å; A165-A169 PolarHBondContact O-N 2.92Å
166T58.4Low57.9Low87 Ų87112.4 Ų112.453%0.53458%0.579SS.*Hα-helixtrans-68.2-39172.8-55.10000110.5Q162 E164 A169 V170Q162-T166 VanDerWaalsContact O-CB 3.3Å; Q162-T166 WeakPolarHBondContact O-CB 3.47Å; Q162-T166 PolarHBondContact O-N 3.29Å; Q162-T166 PolarHBondContact O-OG1 2.89Å; E164-T166 VanDerWaalsContact C-N 3.32Å; E164-T166 PolarHBondContact O-N 3.23Å; T166-A169 PolarHBondContact O-N 3.29Å; T166-V170 WeakPolarHBondContact O-CG2 3.06Å; T166-V170 PolarHBondContact O-N 3.37Å
167K58.2Low56.6Low160 Ų160115 Ų11570%0.69659%0.593SS**Hα-helixtrans-66.1-35.4177.3-168.6179.3-178.8-173.70112.5K163 E164K163-K167 VanDerWaalsContact O-CB 3.3Å; K163-K167 WeakPolarHBondContact O-CB 3.16Å; K163-K167 PolarHBondContact O-N 3.14Å; E164-K167 WeakPolarHBondContact O-CB 3.45Å; E164-K167 PolarHBondContact O-N 2.85Å; E164-K167 VanDerWaalsContact O-N 3.12Å
168S53.7Low55.1Low73 Ų73119.5 Ų119.551%0.5161%0.605SS.*Hα-helixtrans-76.4-35.817257.10000112.8E164 A165 V170 V171 N172E164-S168 PolarHBondContact O-N 3.27Å; E164-S168 PolarHBondContact O-OG 2.94Å; A165-S168 PolarHBondContact O-OG 2.78Å; S168-V170 VanDerWaalsContact C-N 3.31Å; S168-V170 PolarHBondContact O-N 2.73Å; S168-V171 PolarHBondContact O-N 2.69Å; S168-N172 PolarHBondContact O-N 2.85Å
169A55.1Low54.3Low57 Ų57120.5 Ų120.547%0.47162%0.615SS.*Hα-helixtrans-61.5-36.8173.200000112.9A165 T166 V171 N172 S173A165-A169 VanDerWaalsContact O-CB 3.29Å; A165-A169 WeakPolarHBondContact O-CB 3.15Å; A165-A169 PolarHBondContact O-N 2.92Å; T166-A169 PolarHBondContact O-N 3.29Å; A169-V171 VanDerWaalsContact C-N 3.32Å; A169-V171 PolarHBondContact O-N 3.05Å; A169-N172 PolarHBondContact O-N 3.08Å; A169-S173 PolarHBondContact O-N 3.47Å
170V54.1Low52.9Low101 Ų101128.2 Ų128.261%0.61264%0.642SS**Hα-helixtrans-65.8-31.7175.1167.20000112.5T166 S168 N172 S173T166-V170 WeakPolarHBondContact O-CG2 3.06Å; T166-V170 PolarHBondContact O-N 3.37Å; S168-V170 VanDerWaalsContact C-N 3.31Å; S168-V170 PolarHBondContact O-N 2.73Å; V170-N172 VanDerWaalsContact C-N 3.32Å; V170-S173 PolarHBondContact O-N 3.37Å
171V53.3Low51.8Low111 Ų111134.3 Ų134.367%0.67366%0.661SS**Hα-helixtrans-67.8-32.7174.4171.70000111.8S168 A169S168-V171 PolarHBondContact O-N 2.69Å; A169-V171 VanDerWaalsContact C-N 3.32Å; A169-V171 PolarHBondContact O-N 3.05Å
172N53.4Low51Low152 Ų152136.5 Ų136.581%0.81367%0.669SS**THydrogen-bonded Turntrans-90.811.4-179.8-92.326.8000114.7S168 A169 V170S168-N172 PolarHBondContact O-N 2.85Å; A169-N172 PolarHBondContact O-N 3.08Å; V170-N172 VanDerWaalsContact C-N 3.32Å
173S46.5Very low49.9Very low86 Ų86140 Ų14060%0.60169%0.686SS**  trans-125.267.2-176.9-160.90000112.8A169 V170 P175A169-S173 PolarHBondContact O-N 3.47Å; V170-S173 PolarHBondContact O-N 3.37Å; S173-P175 WeakPolarHBondContact O-CD 3.43Å
174F30.6Very low48.6Very low198 Ų198136.3 Ų136.387%0.86868%0.682SS**  trans-98.2110.4163.7-102.7-84.5000109.8
175P51.7Low47.5Very low102 Ų102139.5 Ų139.566%0.66270%0.699SS**  trans-79.4143-177.8-16.332.1000113.8S173S173-P175 WeakPolarHBondContact O-CD 3.43Å
176K43.1Very low46.5Very low191 Ų191145.4 Ų145.483%0.8372%0.718SS**  trans78.1123.2151.4-67.3171.4178.1174.40119.3
177D47.1Very low45.2Very low156 Ų156145.7 Ų145.783%0.83473%0.729SS**  59.276.7122.9-158.717.4000116.4
178R40.2Very low43.9Very low202 Ų202144.9 Ų144.976%0.76274%0.737SS**  trans-134.1133.7161.7-81.6-148.163.6165.5-7.4113.1
179D48.2Very low42.8Very low79 Ų79145.9 Ų145.942%0.42275%0.75SS.*  trans72.953.3150.3-58.412.8000117.8R181D179-R181 PolarHBondContact O-N 2.78Å
180Y41.9Very low41.8Very low251 Ų251147.4 Ų147.498%0.98476%0.763SS**THydrogen-bonded Turntrans-63.538.4152.2-139.3-79000112.4
181R46.9Very low41.7Very low228 Ų228148.7 Ų148.786%0.8677%0.773SS**THydrogen-bonded Turntrans-1402.9-163.9-178.1165.4-76.9-171.3-2.3113.7D179D179-R181 PolarHBondContact O-N 2.78Å
182R44Very low40.5Very low204 Ų204147 Ų14777%0.7778%0.777SS**  trans-122.333.4178.7-150.8-178.4-70.1-119.70.7114.7A184R182-A184 PolarHBondContact O-N 2.88Å
183E40.1Very low39.5Very low199 Ų199149.1 Ų149.193%0.9378%0.78SS**  trans-73.481.9151.4-91.1-62.3144.700108.6
184A36.3Very low38.7Very low68 Ų68150.2 Ų150.256%0.56278%0.783SS**  trans-155.898.9176.200000111.5R182R182-A184 PolarHBondContact O-N 2.88Å
185M36.7Very low38.6Very low170 Ų170144.1 Ų144.184%0.83778%0.777SS**  trans74.2111.7160.1-50.8-179.5-173.600118.7
186Q36.7Very low38.9Very low179 Ų179145.6 Ų145.684%0.83679%0.786SS**  trans54.9102.7133.2-59166.714.100117.4
187A30.8Very low38.4Very low93 Ų93146 Ų14677%0.76979%0.788SS**  64.8107.76900000115.4
188T30.6Very low37.9Very low143 Ų143143.6 Ų143.688%0.87778%0.783SS**  trans176.7147.9147.6-84.10000113
189A31.9Very low37.4Very low93 Ų93139.9 Ų139.977%0.76978%0.783SS**  trans64.1117.6158.400000122.9
190A32.9Very low36.7Very low90 Ų90144.2 Ų144.274%0.74480%0.801SS**  trans-95.2-171.1131.100000108
191P52.1Low36.2Very low128 Ų128136.4 Ų136.483%0.83179%0.788SS**  cis-141.7-165.93.744.5-24.8000115.7
192G29.3Very low35.3Very low74 Ų74134.8 Ų134.876%0.76379%0.79SS**  trans94.4167162.100000116.2
193F31.6Very low34.8Very low197 Ų197132.4 Ų132.486%0.86479%0.785SS**  cis-157.4180-8.8-175.7-112.8000110.2
194T31Very low35.1Very low109 Ų109128.7 Ų128.767%0.66978%0.778SS**  trans-64.5163.7-164.762.70000119
195G27.9Very low34.9Very low71 Ų71129.5 Ų129.573%0.73278%0.78SS**  135.6126123.300000119.3
196P58.7Low35Very low132 Ų132126 Ų12686%0.85778%0.778SS**  trans-118137170.337.5-26.8000115.3
197K31.9Very low34.7Very low201 Ų201121.9 Ų121.987%0.87477%0.774SS**  trans-166137.5165.5-138.4175.9177.1179.70108.2
198S36.5Very low34.7Very low104 Ų104125.3 Ų125.373%0.72778%0.779SS**  cis92.7110.921.9-168.40000116.1
199T29.5Very low35.8Very low124 Ų124123.5 Ų123.576%0.76177%0.77SS**  trans-164.9152.1171.631.50000108.1
200Q32.5Very low35.6Very low171 Ų171123.6 Ų123.680%0.79977%0.765SS**  cis-160140.1-27.4-120.9178.8-41.300106.6
201A32.3Very low35.5Very low86 Ų86127.9 Ų127.971%0.71177%0.769SS**  66.5151107.100000116.1
202E28.1Very low34.6Very low195 Ų195125.7 Ų125.791%0.91176%0.757SS**  cis-142.4-174.825.4-96.3-155.6134.900115.8
203K33.6Very low34.8Very low154 Ų154130.9 Ų130.967%0.6776%0.762SS**  trans-151.1149.4-177.2-171.7-134.1-176.1-174.20109.8S205K203-S205 PolarHBondContact NZ-OG 3.42Å
204P45.3Very low34.8Very low121 Ų121126.6 Ų126.679%0.78676%0.756SS**  -137.1152.5111.115.95.9000112.7
205S33Very low34.9Very low84 Ų84126.8 Ų126.859%0.58776%0.762SS**  cis81.5136.439-1300000114.3K203K203-S205 PolarHBondContact NZ-OG 3.42Å
206A39.2Very low35.1Very low97 Ų97128.6 Ų128.680%0.80276%0.763SS**  cis-116.3-135.55.500000112.8
207A29.5Very low33.8Very low92 Ų92127.8 Ų127.876%0.7676%0.761SS**  cis-150.5-161.5600000112.8
208L31.9Very low33.8Very low165 Ų165122 Ų12286%0.86476%0.757SS**  trans-157.8-175.8-164.7-79.2175.8000111
209P53Low33.7Very low105 Ų105122.5 Ų122.568%0.68277%0.768SS**  cis-136.4-179.9-31.131.3-11000114.9
210S28Very low33.8Very low95 Ų95120.6 Ų120.666%0.66477%0.773SS**  144.2132.2125.8-70.70000118.8
211Q31.5Very low34Very low181 Ų181117.9 Ų117.985%0.84677%0.773SS**  trans62154.8139-65.3-158.749.800121.4
212S32.8Very low34Very low82 Ų82120.7 Ų120.757%0.57378%0.781SS**  cis-171172.2-16.5-91.30000110.5
213Q34.2Very low34.3Very low183 Ų183118.2 Ų118.286%0.85577%0.774SS**  trans72.7122.6167-62.3178.920.600116.1
214S31.2Very low34.9Very low106 Ų106116.5 Ų116.574%0.74178%0.779SS**  77.5135.551.281.30000113.4
215S32Very low34.4Very low114 Ų114115.9 Ų115.980%0.79778%0.777SS**  cis-146.6-153.811.559.60000109.7
216S32.3Very low34.3Very low109 Ų109117.4 Ų117.476%0.76279%0.788SS**  cis-149.3-10716.955.90000114.4
217S32.5Very low34Very low115 Ų115117.6 Ų117.680%0.80479%0.789SS**  trans-164.2170-16656.30000109.9
218G30.6Very low35.1Very low78 Ų78118.8 Ų118.880%0.80479%0.79SS**  cis-172.4-172.45.500000112.2
219A35.6Very low35.7Very low115 Ų115117.2 Ų117.295%0.9579%0.789SS**  trans-102163.4-170.200000114.5
220G30.6Very low34.5Very low84 Ų84115.9 Ų115.987%0.86679%0.794SS**  trans-165.4128.4170.800000112.5
221S36.2Very low34.7Very low115 Ų115117 Ų11780%0.80480%0.802SS**  trans-125.2136.8173.1172.90000108.7
222V33.9Very low34.7Very low145 Ų145114.4 Ų114.488%0.87980%0.804SS**  trans-177.1163132.7-91.70000109.9
223N34.3Very low34.5Very low143 Ų143115 Ų11577%0.76582%0.815SS**  trans-127145.8174.8-16837.1000109
224P45.6Very low34.1Very low118 Ų118111.2 Ų111.277%0.76681%0.808SS**  trans-140161139.936.9-23.2000114.5
225S34.3Very low34.1Very low107 Ų107112.5 Ų112.575%0.74881%0.812SS**  trans-93.7151.1-174.1-44.80000113.8
226S30.6Very low34Very low116 Ų116112.7 Ų112.781%0.81181%0.808SS**  171.3134.6121.857.70000116.5
227A33.3Very low34.1Very low101 Ų101113.7 Ų113.784%0.83581%0.812SS**  trans67.1155.4143.900000122.2
228P53.3Low34Very low118 Ų118114 Ų11477%0.76681%0.808SS**  trans-107.9175.7-172.443.7-36.2000114
229P43.2Very low34Very low131 Ų131115.8 Ų115.885%0.85181%0.809SS**  -153.3179.498.741.7-25.3000116
230G27.9Very low34.1Very low77 Ų77115.9 Ų115.979%0.79480%0.799SS**  trans110.4130.5145.800000118.1
231S32.1Very low33.9Very low118 Ų118118.4 Ų118.483%0.82580%0.798SS**  trans-117.9142.4176.9-51.80000111.7
232S31.7Very low33.6Very low127 Ų127121 Ų12189%0.88880%0.802SS**  trans175.5162.9132-81.90000114.2
233A29.6Very low33.4Very low96 Ų96123.4 Ų123.479%0.79380%0.803SS**  trans-57.7167.6-178.900000114.3
234S26.4Very low33Very low102 Ų102121.9 Ų121.971%0.71380%0.804SS**  cis-170.7179.941.6-161.60000115
235T30.9Very low32.1Very low134 Ų134122.2 Ų122.282%0.82281%0.809SS**  trans71.5148.9167.257.80000119.5
236V30.2Very low31.8Very low118 Ų118123.1 Ų123.172%0.71581%0.81SS**  trans-124.3159.2-174.8-139.60000108.5V238V236-V238 HydrophobicContact CG1-CG2 3.87Å
237P32.5Very low31.9Very low130 Ų130122.5 Ų122.584%0.84480%0.803SS**  -137.5158.28724.1-3.7000114.8
238V32.3Very low32.4Very low120 Ų120123.4 Ų123.473%0.72780%0.801SS**  trans-106.6142.5179.3165.40000110.8V236V236-V238 HydrophobicContact CG1-CG2 3.87Å
239S28.7Very low32Very low117 Ų117123.5 Ų123.582%0.81879%0.794SS**  trans-154154.7160.7-86.10000110.4
240P38.3Very low32.2Very low116 Ų116123.3 Ų123.375%0.75379%0.785SS**  -111.8158.6-119.738-36.6000116.5
241V27.5Very low33.1Very low137 Ų137128.1 Ų128.183%0.8379%0.787SS**PPolyproline II helixtrans-81.2136.4163.5172.70000109.8Q243V241-Q243 PolarHBondContact O-N 3.45Å
242L29.1Very low33.7Very low171 Ų171126.1 Ų126.190%0.89577%0.767SS**PPolyproline II helixtrans-64.8123.2178.7-72.4162.5000111.7
243Q29.2Very low34.8Very low194 Ų194124.3 Ų124.391%0.90775%0.752SS**PPolyproline II helixtrans-78.6136.1170.8-66.2-178.9-76.800110.8V241V241-Q243 PolarHBondContact O-N 3.45Å
244S26.1Very low35.7Very low112 Ų112125 Ų12578%0.78374%0.742SS**PPolyproline II helixtrans-71.2129.517354.50000111.6T246S244-T246 PolarHBondContact O-N 2.82Å
245S26.6Very low37.2Very low124 Ų124124.6 Ų124.687%0.86773%0.731SS**PPolyproline II helixtrans-75.5120.5178.947.10000113
246T27.9Very low38.5Very low127 Ų127121.2 Ų121.278%0.77971%0.708SS**PPolyproline II helixtrans-94156164.342.30000110.8S244S244-T246 PolarHBondContact O-N 2.82Å
247P33.9Very low39.8Very low102 Ų102125 Ų12566%0.66271%0.709SS**PPolyproline II helixtrans-81.1152-159.930.6-36.7000115.1I249P247-I249 PolarHBondContact O-N 3.42Å
248P43.7Very low41.1Very low120 Ų120126.2 Ų126.278%0.77970%0.704SS**  trans-78.290.2177.832.5-34.8000111.6
249I43.7Very low42.3Very low121 Ų121124.6 Ų124.662%0.62169%0.691SS**  trans-118.6-10.9174.9-84.5174.7000113.1P247 Q251P247-I249 PolarHBondContact O-N 3.42Å; I249-Q251 PolarHBondContact O-N 3.45Å
250L47.3Very low44.1Very low126 Ų126120.6 Ų120.666%0.6666%0.66SS**THydrogen-bonded Turntrans-98.655.4-177-61.1179.6000113.2
251Q48Very low45.3Very low179 Ų179118.7 Ų118.784%0.83665%0.648SS**THydrogen-bonded Turntrans-122.1-9.8171.8-79-174.9-20.700114.4I249 P253I249-Q251 PolarHBondContact O-N 3.45Å; Q251-P253 WeakPolarHBondContact O-CD 3.31Å
252D44.5Very low46.6Very low76 Ų76115 Ų11541%0.40663%0.632SS.*  trans-90.4114.3-179.9-175.5-0.2000111.7N254 L255D252-N254 PolarHBondContact O-N 2.88Å; D252-N254 VanDerWaalsContact OD1-CB 3.29Å; D252-N254 WeakPolarHBondContact OD1-CB 3.49Å; D252-N254 PolarHBondContact OD1-N 3.35Å; D252-N254 PolarHBondContact OD1-ND2 2.98Å; D252-L255 HydrophobicContact CB-CB 4.36Å; D252-L255 HydrophobicContact CB-CD1 4.25Å; D252-L255 PolarHBondContact O-N 3Å
253P54.8Low48.2Very low88 Ų88108.8 Ų108.857%0.57160%0.599SS**Hα-helixtrans-66.7-17.8177.328.9-35.8000113.3Q251 L256 R257Q251-P253 WeakPolarHBondContact O-CD 3.31Å; P253-L256 WeakPolarHBondContact O-CB 3.44Å; P253-L256 PolarHBondContact O-N 2.66Å; P253-R257 PolarHBondContact O-N 3.14Å
254N49.1Very low49.8Very low111 Ų111100.4 Ų100.459%0.59456%0.56SS**Hα-helixtrans-72.7-42.4177.7-58.3-76.3000111.1D252 L256 R257 Q258D252-N254 PolarHBondContact O-N 2.88Å; D252-N254 VanDerWaalsContact OD1-CB 3.29Å; D252-N254 WeakPolarHBondContact OD1-CB 3.49Å; D252-N254 PolarHBondContact OD1-N 3.35Å; D252-N254 PolarHBondContact OD1-ND2 2.98Å; N254-L256 PolarHBondContact O-N 2.66Å; N254-R257 PolarHBondContact O-N 2.7Å; N254-R257 VanDerWaalsContact O-N 3.1Å; N254-Q258 WeakPolarHBondContact O-CB 3.23Å; N254-Q258 PolarHBondContact O-N 2.79Å
255L57.2Low51.2Low93 Ų9398.8 Ų98.849%0.48755%0.545SS..Hα-helixtrans-56.7-35.4171.2-99.2160000112.1D252 Q258 L259D252-L255 HydrophobicContact CB-CB 4.36Å; D252-L255 HydrophobicContact CB-CD1 4.25Å; D252-L255 PolarHBondContact O-N 3Å; L255-Q258 WeakPolarHBondContact O-CB 3.49Å; L255-Q258 PolarHBondContact O-N 2.74Å; L255-L259 PolarHBondContact O-N 2.57Å; L255-L259 VanDerWaalsContact O-N 3.11Å
256L58.6Low52.6Low64 Ų6495.3 Ų95.334%0.33553%0.525SS..Hα-helixtrans-65.6-41.9176-158.265.3000112.1P253 N254 L259 L260 V287 L292P253-L256 WeakPolarHBondContact O-CB 3.44Å; P253-L256 PolarHBondContact O-N 2.66Å; N254-L256 PolarHBondContact O-N 2.66Å; L256-L259 PolarHBondContact O-N 3.38Å; L256-L260 PolarHBondContact O-N 3.2Å; L256-V287 HydrophobicContact CD2-CG1 3.88Å; L256-V287 HydrophobicContact CG-CG1 4.24Å; L256-L292 HydrophobicContact CD1-CD1 3.78Å; L256-L292 HydrophobicContact CD1-CD2 3.76Å; L256-L292 HydrophobicContact CD1-CG 4.39Å
257R57.4Low53.9Low196 Ų19691.1 Ų91.174%0.7450%0.497SS*.Hα-helixtrans-70.4-31.4172.9-61.2-156.776.81516.4112.7P253 N254 L259 P261P253-R257 PolarHBondContact O-N 3.14Å; N254-R257 PolarHBondContact O-N 2.7Å; N254-R257 VanDerWaalsContact O-N 3.1Å; R257-L259 VanDerWaalsContact C-N 3.3Å; R257-L259 PolarHBondContact O-N 3.23Å; R257-P261 WeakPolarHBondContact O-CD 3.36Å
258Q58.4Low54.9Low156 Ų15691 Ų9173%0.72949%0.488SS*.Hα-helixtrans-66-31.7176.8-158.475.3-0.200112.4N254 L255N254-Q258 WeakPolarHBondContact O-CB 3.23Å; N254-Q258 PolarHBondContact O-N 2.79Å; L255-Q258 WeakPolarHBondContact O-CB 3.49Å; L255-Q258 PolarHBondContact O-N 2.74Å
259L58Low55.1Low86 Ų8692.2 Ų92.245%0.4549%0.487SS..Hα-helixtrans-91.3-17.9-175.7-150.8124.5000113.7L255 L256 R257 A262 L263L255-L259 PolarHBondContact O-N 2.57Å; L255-L259 VanDerWaalsContact O-N 3.11Å; L256-L259 PolarHBondContact O-N 3.38Å; R257-L259 VanDerWaalsContact C-N 3.3Å; R257-L259 PolarHBondContact O-N 3.23Å; L259-A262 WeakPolarHBondContact O-CB 3.42Å; L259-A262 PolarHBondContact O-N 3.33Å; L259-L263 HydrophobicContact CD2-CD1 4.02Å; L259-L263 HydrophobicContact CD2-CG 4.06Å; L259-L263 PolarHBondContact O-N 2.93Å
260L67.6Low55.6Low33 Ų3391.6 Ų91.617%0.17349%0.485CS..Hα-helixtrans-56.2-45.5177.9176.765.7000113.5L256 A262 L263 Q264 L283 V287L256-L260 PolarHBondContact O-N 3.2Å; L260-A262 VanDerWaalsContact C-N 3.3Å; L260-A262 PolarHBondContact O-N 3.13Å; L260-L263 PolarHBondContact O-N 3.18Å; L260-Q264 PolarHBondContact O-N 3.31Å; L260-L283 HydrophobicContact CD1-CB 3.82Å; L260-L283 HydrophobicContact CD1-CD1 4.11Å; L260-L283 HydrophobicContact CD1-CG 4.43Å; L260-V287 HydrophobicContact CD1-CG2 4.43Å
261P62.7Low56Low76 Ų7689.4 Ų89.449%0.49447%0.474SS..Hα-helixtrans-64.8-29.6176.5-22.534.6000114.1R257 Q264 T265R257-P261 WeakPolarHBondContact O-CD 3.36Å; P261-Q264 WeakPolarHBondContact O-CB 3.38Å; P261-Q264 PolarHBondContact O-N 3.06Å; P261-T265 WeakPolarHBondContact O-CB 3.37Å; P261-T265 PolarHBondContact O-N 2.88Å; P261-T265 PolarHBondContact O-OG1 3.4Å
262A55.1Low56.2Low61 Ų6186.1 Ų86.150%0.50448%0.477SS..Hα-helixtrans-69.4-42.6176.600000111.3L259 L260 T265 A266L259-A262 WeakPolarHBondContact O-CB 3.42Å; L259-A262 PolarHBondContact O-N 3.33Å; L260-A262 VanDerWaalsContact C-N 3.3Å; L260-A262 PolarHBondContact O-N 3.13Å; A262-T265 PolarHBondContact O-N 2.85Å; A262-A266 WeakPolarHBondContact O-CB 3.47Å; A262-A266 PolarHBondContact O-N 2.83Å
263L62.4Low56.7Low40 Ų4090 Ų9021%0.20950%0.498CS..Hα-helixtrans-63.8-41.2172.3-68.4171.2000111.8L259 L260 T265 A266 L267L259-L263 HydrophobicContact CD2-CD1 4.02Å; L259-L263 HydrophobicContact CD2-CG 4.06Å; L259-L263 PolarHBondContact O-N 2.93Å; L260-L263 PolarHBondContact O-N 3.18Å; L263-T265 VanDerWaalsContact C-N 3.33Å; L263-T265 PolarHBondContact O-N 3.43Å; L263-A266 PolarHBondContact O-N 2.81Å; L263-L267 WeakPolarHBondContact O-CG 3.11Å; L263-L267 PolarHBondContact O-N 2.85Å; L263-L267 VanDerWaalsContact O-N 3.11Å
264Q62Low56.8Low18 Ų1889.1 Ų89.18%0.08449%0.491CS..Hα-helixtrans-55.3-48.6174.1-160.281.936.500111.2L260 P261 L267 Q268 M276 N280 L283L260-Q264 PolarHBondContact O-N 3.31Å; P261-Q264 WeakPolarHBondContact O-CB 3.38Å; P261-Q264 PolarHBondContact O-N 3.06Å; Q264-L267 PolarHBondContact O-N 3.48Å; Q264-Q268 WeakPolarHBondContact O-CB 3.32Å; Q264-Q268 PolarHBondContact O-N 2.87Å; Q264-M276 HydrophobicContact CG-CE 3.8Å; Q264-M276 HydrophobicContact CG-SD 4.5Å; Q264-N280 PolarHBondContact NE2-ND2 2.91Å; Q264-N280 VanDerWaalsContact NE2-ND2 3.18Å; Q264-N280 PolarHBondContact OE1-OD1 2.84Å; Q264-L283 VanDerWaalsContact OE1-CD1 3.26Å
265T56.5Low57.5Low77 Ų7787.4 Ų87.447%0.47248%0.482SS..Hα-helixtrans-68.4-42.9-177.7-52.90000111.6P261 A262 L263 L267 Q268 L269P261-T265 WeakPolarHBondContact O-CB 3.37Å; P261-T265 PolarHBondContact O-N 2.88Å; P261-T265 PolarHBondContact O-OG1 3.4Å; A262-T265 PolarHBondContact O-N 2.85Å; L263-T265 VanDerWaalsContact C-N 3.33Å; L263-T265 PolarHBondContact O-N 3.43Å; T265-L267 VanDerWaalsContact C-N 3.3Å; T265-L267 PolarHBondContact O-N 3.47Å; T265-Q268 PolarHBondContact O-N 3.36Å; T265-Q268 VanDerWaalsContact O-N 3.17Å; T265-L269 HydrophobicContact CG2-CD1 4.41Å; T265-L269 WeakPolarHBondContact O-CG 3.34Å; T265-L269 PolarHBondContact O-N 3.19Å
266A55.4Low57.6Low52 Ų5286 Ų8643%0.4347%0.473SS..Hα-helixtrans-61.7-35.7178.200000112.8A262 L263 N270A262-A266 WeakPolarHBondContact O-CB 3.47Å; A262-A266 PolarHBondContact O-N 2.83Å; L263-A266 PolarHBondContact O-N 2.81Å; A266-N270 PolarHBondContact O-ND2 2.84Å
267L56.2Low57.9Low39 Ų3987.2 Ų87.220%0.20448%0.484CS..Hα-helixtrans-71.3-42.9172.6-68.8170000111.9L263 Q264 T265 L269 N270 N271 I279 L283 F307L263-L267 WeakPolarHBondContact O-CG 3.11Å; L263-L267 PolarHBondContact O-N 2.85Å; L263-L267 VanDerWaalsContact O-N 3.11Å; Q264-L267 PolarHBondContact O-N 3.48Å; T265-L267 VanDerWaalsContact C-N 3.3Å; T265-L267 PolarHBondContact O-N 3.47Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3Å; L267-N270 PolarHBondContact O-N 3.45Å; L267-N271 PolarHBondContact O-N 2.91Å; L267-I279 HydrophobicContact CD1-CG2 3.92Å; L267-L283 HydrophobicContact CD1-CD1 4.14Å; L267-L283 HydrophobicContact CD1-CD2 4.33Å; L267-L283 HydrophobicContact CD1-CG 4.49Å; L267-F307 HydrophobicContact CD2-CE1 4.08Å; L267-F307 HydrophobicContact CD2-CZ 3.68Å
268Q53.8Low58.1Low99 Ų9983.8 Ų83.846%0.46347%0.474SS..Hα-helixtrans-66.3-33.2-176.3-164.6167.11700113Q264 T265 N270 M276Q264-Q268 WeakPolarHBondContact O-CB 3.32Å; Q264-Q268 PolarHBondContact O-N 2.87Å; T265-Q268 PolarHBondContact O-N 3.36Å; T265-Q268 VanDerWaalsContact O-N 3.17Å; Q268-N270 PolarHBondContact O-N 3.04Å; Q268-M276 HydrophobicContact CG-SD 4.45Å
269L49.3Very low58.4Low145 Ų14577.9 Ų77.976%0.75945%0.447SS*.THydrogen-bonded Turntrans-65.5-18171.8-70.9172.7000113.9T265 L267T265-L269 HydrophobicContact CG2-CD1 4.41Å; T265-L269 WeakPolarHBondContact O-CG 3.34Å; T265-L269 PolarHBondContact O-N 3.19Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3Å
270N53.2Low58.7Low109 Ų10977 Ų7758%0.58344%0.443SS*.THydrogen-bonded Turntrans-103.6-9.1-177.6-78.1-83.4000114.1A266 L267 Q268A266-N270 PolarHBondContact O-ND2 2.84Å; L267-N270 PolarHBondContact O-N 3.45Å; Q268-N270 PolarHBondContact O-N 3.04Å
271N54.7Low58.7Low80 Ų8082 Ų8243%0.42847%0.465SS..  trans-157111.4177.2-100-62.4000112.8L267 V274L267-N271 PolarHBondContact O-N 2.91Å; N271-V274 HydrophobicContact CB-CG2 4.19Å
272A52.4Low58.7Low110 Ų11080.8 Ų80.891%0.90946%0.457SS*.THydrogen-bonded Turntrans-82-7.4179.900000115
273N55.8Low59.2Low156 Ų15678.6 Ų78.683%0.83444%0.436SS*.THydrogen-bonded Turntrans-120.926.7-168.7-161.675.7000113.8
274V57.7Low59.3Low70 Ų7080.1 Ų80.142%0.42445%0.447SS..SBendtrans-116.5132175.6-177.90000109.6N271 M276 I279N271-V274 HydrophobicContact CB-CG2 4.19Å; V274-M276 PolarHBondContact O-N 3.37Å; V274-I279 HydrophobicContact CB-CD1 4.09Å; V274-I279 HydrophobicContact CG1-CD1 3.8Å; V274-I279 HydrophobicContact CG1-CG1 3.9Å
275D63.3Low59.2Low75 Ų7581.9 Ų81.940%0.40147%0.465SS..  trans-60.2115.1-179.1-179.5-8.2000111.6T277 K278 I279D275-T277 PolarHBondContact O-N 3.27Å; D275-T277 WeakPolarHBondContact OD1-CB 3.32Å; D275-T277 PolarHBondContact OD1-N 3.18Å; D275-T277 PolarHBondContact OD1-OG1 3.41Å; D275-T277 PolarHBondContact OD2-OG1 2.98Å; D275-K278 HydrophobicContact CB-CD 4.23Å; D275-K278 HydrophobicContact CB-CG 4.48Å; D275-K278 PolarHBondContact O-N 2.74Å; D275-K278 WeakPolarHBondContact OD2-CE 3.12Å; D275-K278 IonicContact OD2-NZ 2.72Å; D275-I279 PolarHBondContact O-N 2.83Å
276M60.1Low59.3Low63 Ų6378.9 Ų78.931%0.3145%0.448SS..Hα-helixtrans-58.3-27.8-178.3-86.9-72.1-73.900113.5Q264 Q268 V274 I279 N280Q264-M276 HydrophobicContact CG-CE 3.8Å; Q264-M276 HydrophobicContact CG-SD 4.5Å; Q268-M276 HydrophobicContact CG-SD 4.45Å; V274-M276 PolarHBondContact O-N 3.37Å; M276-I279 PolarHBondContact O-N 3.02Å; M276-I279 HydrophobicContact SD-CD1 4.46Å; M276-N280 PolarHBondContact O-N 3.1Å; M276-N280 PolarHBondContact O-ND2 3.01Å
277T64.4Low59.4Low91 Ų9178.2 Ų78.256%0.55844%0.438SS*.Hα-helixtrans-62.8-45.3178.661.60000111D275 I279 N280 E281D275-T277 PolarHBondContact O-N 3.27Å; D275-T277 WeakPolarHBondContact OD1-CB 3.32Å; D275-T277 PolarHBondContact OD1-N 3.18Å; D275-T277 PolarHBondContact OD1-OG1 3.41Å; D275-T277 PolarHBondContact OD2-OG1 2.98Å; T277-I279 PolarHBondContact O-N 3.28Å; T277-N280 WeakPolarHBondContact O-CB 3.47Å; T277-N280 PolarHBondContact O-N 3.05Å; T277-E281 PolarHBondContact O-N 2.87Å
278K60.2Low59.7Low124 Ų12481.6 Ų81.654%0.53946%0.461SS..Hα-helixtrans-70-33.6-179.2-60.7174.6-171.21680112.2D275 V282D275-K278 HydrophobicContact CB-CD 4.23Å; D275-K278 HydrophobicContact CB-CG 4.48Å; D275-K278 PolarHBondContact O-N 2.74Å; D275-K278 WeakPolarHBondContact OD2-CE 3.12Å; D275-K278 IonicContact OD2-NZ 2.72Å; K278-V282 WeakPolarHBondContact O-CB 3.31Å; K278-V282 VanDerWaalsContact O-CG2 3.32Å; K278-V282 WeakPolarHBondContact O-CG2 3.26Å; K278-V282 PolarHBondContact O-N 3.32Å
279I65Low59.7Low31 Ų3182.8 Ų82.816%0.15947%0.467CS..Hα-helixtrans-65.9-45.7173.3-59.4175.8000110.3L267 V274 D275 M276 T277 E281 L283L267-I279 HydrophobicContact CD1-CG2 3.92Å; V274-I279 HydrophobicContact CB-CD1 4.09Å; V274-I279 HydrophobicContact CG1-CD1 3.8Å; V274-I279 HydrophobicContact CG1-CG1 3.9Å; D275-I279 PolarHBondContact O-N 2.83Å; M276-I279 PolarHBondContact O-N 3.02Å; M276-I279 HydrophobicContact SD-CD1 4.46Å; T277-I279 PolarHBondContact O-N 3.28Å; I279-E281 PolarHBondContact O-N 3.49Å; I279-L283 HydrophobicContact CG2-CD1 3.89Å; I279-L283 HydrophobicContact CG2-CG 4.44Å; I279-L283 WeakPolarHBondContact O-CB 3.32Å; I279-L283 WeakPolarHBondContact O-CG 3.46Å; I279-L283 PolarHBondContact O-N 2.91Å
280N65.6Low59.6Low67 Ų6780.7 Ų80.736%0.35847%0.47SS..Hα-helixtrans-59.7-44.2175.4-82.8-83.7000112Q264 M276 T277 T284Q264-N280 PolarHBondContact NE2-ND2 2.91Å; Q264-N280 VanDerWaalsContact NE2-ND2 3.18Å; Q264-N280 PolarHBondContact OE1-OD1 2.84Å; M276-N280 PolarHBondContact O-N 3.1Å; M276-N280 PolarHBondContact O-ND2 3.01Å; T277-N280 WeakPolarHBondContact O-CB 3.47Å; T277-N280 PolarHBondContact O-N 3.05Å; N280-T284 VanDerWaalsContact O-CB 3.31Å; N280-T284 WeakPolarHBondContact O-CB 3.08Å; N280-T284 PolarHBondContact O-N 3.34Å; N280-T284 PolarHBondContact O-OG1 2.97Å
281E65.8Low59.9Low138 Ų13877.5 Ų77.565%0.64546%0.456SS*.Hα-helixtrans-63.3-50.2-180-172.8176.6-161.100111.9T277 I279 L283 T284 A285T277-E281 PolarHBondContact O-N 2.87Å; I279-E281 PolarHBondContact O-N 3.49Å; E281-L283 PolarHBondContact O-N 3Å; E281-T284 PolarHBondContact O-N 3.39Å; E281-A285 PolarHBondContact O-N 3.02Å
282V63.2Low60.1Low52 Ų5275.1 Ų75.132%0.31544%0.444SS..Hα-helixtrans-64.1-40.4178.5171.80000111.9K278 A285 A286 L313K278-V282 WeakPolarHBondContact O-CB 3.31Å; K278-V282 VanDerWaalsContact O-CG2 3.32Å; K278-V282 WeakPolarHBondContact O-CG2 3.26Å; K278-V282 PolarHBondContact O-N 3.32Å; V282-A285 PolarHBondContact O-N 2.96Å; V282-A286 VanDerWaalsContact O-CB 3.28Å; V282-A286 WeakPolarHBondContact O-CB 3.38Å; V282-A286 PolarHBondContact O-N 2.98Å; V282-L313 HydrophobicContact CG1-CD2 4.29Å; V282-L313 HydrophobicContact CG2-CD2 4.24Å
283L65.8Low60.2Low14 Ų1475.7 Ų75.77%0.07343%0.427CS..Hα-helixtrans-62.4-44.1173.2-77170.2000111.4L260 Q264 L267 I279 E281 A285 A286 V287L260-L283 HydrophobicContact CD1-CB 3.82Å; L260-L283 HydrophobicContact CD1-CD1 4.11Å; L260-L283 HydrophobicContact CD1-CG 4.43Å; Q264-L283 VanDerWaalsContact OE1-CD1 3.26Å; L267-L283 HydrophobicContact CD1-CD1 4.14Å; L267-L283 HydrophobicContact CD1-CD2 4.33Å; L267-L283 HydrophobicContact CD1-CG 4.49Å; I279-L283 HydrophobicContact CG2-CD1 3.89Å; I279-L283 HydrophobicContact CG2-CG 4.44Å; I279-L283 WeakPolarHBondContact O-CB 3.32Å; I279-L283 WeakPolarHBondContact O-CG 3.46Å; I279-L283 PolarHBondContact O-N 2.91Å; E281-L283 PolarHBondContact O-N 3Å; L283-A285 PolarHBondContact O-N 3.46Å; L283-A286 PolarHBondContact O-N 3.31Å; L283-V287 WeakPolarHBondContact O-CB 3.36Å; L283-V287 WeakPolarHBondContact O-CG2 3.5Å; L283-V287 PolarHBondContact O-N 3.36Å
284T65.3Low60.2Low72 Ų7271.2 Ų71.244%0.44241%0.408SS..Hα-helixtrans-64.5-38.7180-57.80000112N280 E281 T288N280-T284 VanDerWaalsContact O-CB 3.31Å; N280-T284 WeakPolarHBondContact O-CB 3.08Å; N280-T284 PolarHBondContact O-N 3.34Å; N280-T284 PolarHBondContact O-OG1 2.97Å; E281-T284 PolarHBondContact O-N 3.39Å; T284-T288 WeakPolarHBondContact O-CG2 3.36Å; T284-T288 PolarHBondContact O-N 2.92Å; T284-T288 PolarHBondContact O-OG1 3.26Å
285A59.2Low60.2Low55 Ų5570 Ų7046%0.45540%0.399SS..Hα-helixtrans-66.6-42.4172.800000112.3E281 V282 L283 V287 T288 Q289E281-A285 PolarHBondContact O-N 3.02Å; V282-A285 PolarHBondContact O-N 2.96Å; L283-A285 PolarHBondContact O-N 3.46Å; A285-V287 VanDerWaalsContact C-N 3.3Å; A285-V287 PolarHBondContact O-N 3.2Å; A285-T288 PolarHBondContact O-N 2.82Å; A285-T288 PolarHBondContact O-OG1 3.14Å; A285-Q289 PolarHBondContact O-N 2.86Å
286A59.3Low60.1Low14 Ų1468.7 Ų68.712%0.11639%0.391CS..Hα-helixtrans-72.8-20.6179.200000114.2V282 L283 L292 M295V282-A286 VanDerWaalsContact O-CB 3.28Å; V282-A286 WeakPolarHBondContact O-CB 3.38Å; V282-A286 PolarHBondContact O-N 2.98Å; L283-A286 PolarHBondContact O-N 3.31Å; A286-L292 PolarHBondContact O-N 3.3Å; A286-M295 HydrophobicContact CB-CE 3.59Å
287V58.2Low59.8Low38 Ų3871.8 Ų71.823%0.2341%0.405CS..Hα-helixtrans-78.3-33.4171.3162.60000112.1L256 L260 L283 A285 L292L256-V287 HydrophobicContact CD2-CG1 3.88Å; L256-V287 HydrophobicContact CG-CG1 4.24Å; L260-V287 HydrophobicContact CD1-CG2 4.43Å; L283-V287 WeakPolarHBondContact O-CB 3.36Å; L283-V287 WeakPolarHBondContact O-CG2 3.5Å; L283-V287 PolarHBondContact O-N 3.36Å; A285-V287 VanDerWaalsContact C-N 3.3Å; A285-V287 PolarHBondContact O-N 3.2Å; V287-L292 HydrophobicContact CB-CD1 4.38Å; V287-L292 HydrophobicContact CG2-CD1 3.55Å
288T61.5Low59.3Low110 Ų11072.5 Ų72.568%0.67540%0.4SS*.Hα-helixtrans-90.1-28.2-172.1440000113.8T284 A285T284-T288 WeakPolarHBondContact O-CG2 3.36Å; T284-T288 PolarHBondContact O-N 2.92Å; T284-T288 PolarHBondContact O-OG1 3.26Å; A285-T288 PolarHBondContact O-N 2.82Å; A285-T288 PolarHBondContact O-OG1 3.14Å
289Q52.8Low59Low125 Ų12570.2 Ų70.258%0.58439%0.393SS*.SBendtrans-84.2152.4155.9-66.3-172.8-1.600109.8A285 S291A285-Q289 PolarHBondContact O-N 2.86Å; Q289-S291 PolarHBondContact O-N 3.02Å
290A48.7Very low58.4Low101 Ų10175.7 Ų75.784%0.83542%0.422SS*.THydrogen-bonded Turntrans-65.710.9-179.400000115.4L292A290-L292 PolarHBondContact O-N 3.45Å
291S59.1Low57.7Low42 Ų4277.3 Ų77.329%0.29443%0.434SS..Hα-helixtrans-57-30.8178.3-171.10000113.1Q289 Q293 S294 M295Q289-S291 PolarHBondContact O-N 3.02Å; S291-Q293 VanDerWaalsContact C-N 3.29Å; S291-Q293 PolarHBondContact O-N 3.44Å; S291-Q293 VanDerWaalsContact O-N 3.16Å; S291-S294 CarbonylContact O-C 3.58Å; S291-S294 WeakPolarHBondContact O-CA 3.31Å; S291-S294 WeakPolarHBondContact O-CB 3.35Å; S291-S294 PolarHBondContact O-N 3.39Å; S291-M295 PolarHBondContact O-N 2.96Å
292L58.2Low56.8Low30 Ų3073.2 Ų73.216%0.15742%0.424CS..Hα-helixtrans-54.7-36.6-175.3-173.1143000114.3L256 A286 V287 A290 M295 L296L256-L292 HydrophobicContact CD1-CD1 3.78Å; L256-L292 HydrophobicContact CD1-CD2 3.76Å; L256-L292 HydrophobicContact CD1-CG 4.39Å; A286-L292 PolarHBondContact O-N 3.3Å; V287-L292 HydrophobicContact CB-CD1 4.38Å; V287-L292 HydrophobicContact CG2-CD1 3.55Å; A290-L292 PolarHBondContact O-N 3.45Å; L292-M295 PolarHBondContact O-N 3.41Å; L292-L296 HydrophobicContact CD2-CD1 3.58Å; L292-L296 HydrophobicContact CD2-CG 4.07Å; L292-L296 WeakPolarHBondContact O-CB 3.31Å; L292-L296 WeakPolarHBondContact O-CG 3.22Å; L292-L296 PolarHBondContact O-N 3.47Å
293Q54.3Low55.9Low121 Ų12173 Ų7357%0.56543%0.432SS*.Hα-helixtrans-68.7-38.4174.6-71.6-159.311.800112.5S291 M295 H297S291-Q293 VanDerWaalsContact C-N 3.29Å; S291-Q293 PolarHBondContact O-N 3.44Å; S291-Q293 VanDerWaalsContact O-N 3.16Å; Q293-M295 VanDerWaalsContact C-N 3.34Å; Q293-H297 VanDerWaalsContact O-CB 3.26Å; Q293-H297 WeakPolarHBondContact O-CB 3.22Å; Q293-H297 PolarHBondContact O-N 3.13Å
294S56Low55Low63 Ų6379 Ų7944%0.44147%0.472SS..Hα-helixtrans-65.9-38173.7-171.60000111.4S291 K298S291-S294 CarbonylContact O-C 3.58Å; S291-S294 WeakPolarHBondContact O-CA 3.31Å; S291-S294 WeakPolarHBondContact O-CB 3.35Å; S291-S294 PolarHBondContact O-N 3.39Å; S294-K298 WeakPolarHBondContact O-CB 3.32Å; S294-K298 VanDerWaalsContact O-CG 3.31Å; S294-K298 WeakPolarHBondContact O-CG 3.47Å; S294-K298 PolarHBondContact O-N 2.97Å
295M59.3Low54Low44 Ų4481.5 Ų81.522%0.21749%0.493CS..Hα-helixtrans-65.7-49.3175.7-168.4179.5-68.100111.7A286 S291 L292 Q293 H297 K298 I299A286-M295 HydrophobicContact CB-CE 3.59Å; S291-M295 PolarHBondContact O-N 2.96Å; L292-M295 PolarHBondContact O-N 3.41Å; Q293-M295 VanDerWaalsContact C-N 3.34Å; M295-H297 PolarHBondContact O-N 3Å; M295-K298 PolarHBondContact O-N 3.01Å; M295-I299 HydrophobicContact CG-CD1 3.91Å; M295-I299 WeakPolarHBondContact O-CB 3.39Å; M295-I299 VanDerWaalsContact O-CG1 3.27Å; M295-I299 WeakPolarHBondContact O-CG1 3.36Å; M295-I299 PolarHBondContact O-N 3.5Å
296L59.3Low53.3Low47 Ų4782.3 Ų82.325%0.24650%0.499CS..Hα-helixtrans-62.1-42.1175.1-71.8-179000111.8L292 K298 I299 L300L292-L296 HydrophobicContact CD2-CD1 3.58Å; L292-L296 HydrophobicContact CD2-CG 4.07Å; L292-L296 WeakPolarHBondContact O-CB 3.31Å; L292-L296 WeakPolarHBondContact O-CG 3.22Å; L292-L296 PolarHBondContact O-N 3.47Å; L296-K298 VanDerWaalsContact C-N 3.32Å; L296-K298 PolarHBondContact O-N 2.98Å; L296-I299 PolarHBondContact O-N 2.84Å; L296-L300 WeakPolarHBondContact O-CB 3.36Å; L296-L300 VanDerWaalsContact O-CG 3.27Å; L296-L300 WeakPolarHBondContact O-CG 3.08Å; L296-L300 PolarHBondContact O-N 3.24Å
297H55.4Low53Low129 Ų12986 Ų8660%0.59751%0.513SS*.Hα-helixtrans-60.7-41.6175.9-170.2-64.6000111.6Q293 M295 L300 T301Q293-H297 VanDerWaalsContact O-CB 3.26Å; Q293-H297 WeakPolarHBondContact O-CB 3.22Å; Q293-H297 PolarHBondContact O-N 3.13Å; M295-H297 PolarHBondContact O-N 3Å; H297-L300 PolarHBondContact O-N 2.96Å; H297-T301 PolarHBondContact CE1-OG1 3.03Å; H297-T301 VanDerWaalsContact CE1-OG1 3.27Å; H297-T301 PolarHBondContact ND1-OG1 3.1Å; H297-T301 WeakPolarHBondContact O-CB 3.45Å; H297-T301 PolarHBondContact O-N 3.12Å; H297-T301 PolarHBondContact O-OG1 2.93Å
298K52.6Low52.7Low105 Ų10588.5 Ų88.546%0.45753%0.525SS..Hα-helixtrans-65.3-43.5174.3-75173.6179178.10112.1S294 M295 L296 L300 T301 A302S294-K298 WeakPolarHBondContact O-CB 3.32Å; S294-K298 VanDerWaalsContact O-CG 3.31Å; S294-K298 WeakPolarHBondContact O-CG 3.47Å; S294-K298 PolarHBondContact O-N 2.97Å; M295-K298 PolarHBondContact O-N 3.01Å; L296-K298 VanDerWaalsContact C-N 3.32Å; L296-K298 PolarHBondContact O-N 2.98Å; K298-L300 VanDerWaalsContact C-N 3.33Å; K298-L300 PolarHBondContact O-N 2.81Å; K298-T301 PolarHBondContact O-N 3.44Å; K298-A302 VanDerWaalsContact O-CB 3.24Å; K298-A302 WeakPolarHBondContact O-CB 3.4Å; K298-A302 PolarHBondContact O-N 2.95Å
299I53.9Low52.2Low76 Ų7685.3 Ų85.339%0.3950%0.503SS..Hα-helixtrans-62.6-37.2176.9-70.6164.5000111.9M295 L296M295-I299 HydrophobicContact CG-CD1 3.91Å; M295-I299 WeakPolarHBondContact O-CB 3.39Å; M295-I299 VanDerWaalsContact O-CG1 3.27Å; M295-I299 WeakPolarHBondContact O-CG1 3.36Å; M295-I299 PolarHBondContact O-N 3.5Å; L296-I299 PolarHBondContact O-N 2.84Å
300L53Low52.2Low147 Ų14783.9 Ų83.977%0.7750%0.503SS*.Hα-helixtrans-83.5-25-179.4-67.7167.7000113.4L296 H297 K298L296-L300 WeakPolarHBondContact O-CB 3.36Å; L296-L300 VanDerWaalsContact O-CG 3.27Å; L296-L300 WeakPolarHBondContact O-CG 3.08Å; L296-L300 PolarHBondContact O-N 3.24Å; H297-L300 PolarHBondContact O-N 2.96Å; K298-L300 VanDerWaalsContact C-N 3.33Å; K298-L300 PolarHBondContact O-N 2.81Å
301T51.2Low52.4Low100 Ų10083.1 Ų83.161%0.61349%0.488SS*.Hα-helixtrans-89.7-35.4179-530000112.3H297 K298 G303H297-T301 PolarHBondContact CE1-OG1 3.03Å; H297-T301 VanDerWaalsContact CE1-OG1 3.27Å; H297-T301 PolarHBondContact ND1-OG1 3.1Å; H297-T301 WeakPolarHBondContact O-CB 3.45Å; H297-T301 PolarHBondContact O-N 3.12Å; H297-T301 PolarHBondContact O-OG1 2.93Å; K298-T301 PolarHBondContact O-N 3.44Å; T301-G303 PolarHBondContact O-N 3.06Å
302A47.4Very low52.3Low52 Ų5284 Ų8443%0.4349%0.489SS..SBendtrans-88.2103.1177.400000110.1K298 A306K298-A302 VanDerWaalsContact O-CB 3.24Å; K298-A302 WeakPolarHBondContact O-CB 3.4Å; K298-A302 PolarHBondContact O-N 2.95Å; A302-A306 HydrophobicContact CB-CB 4.29Å
303G43.2Very low52Low47 Ų4786.5 Ų86.549%0.48550%0.502SS..  trans-57164.7178.400000114T301 S305 A306T301-G303 PolarHBondContact O-N 3.06Å; G303-S305 PolarHBondContact O-N 3.48Å; G303-A306 PolarHBondContact O-N 2.99Å
304P46.9Very low52Low141 Ų14183.7 Ų83.792%0.91650%0.495SS*.THydrogen-bonded Turntrans-63-0.8-159.222.9-35.1000117.4
305S45.3Very low51.9Low125 Ų12584.8 Ų84.887%0.87449%0.494SS*.THydrogen-bonded Turntrans-93.5-6.7177.5-169.50000114.6G303G303-S305 PolarHBondContact O-N 3.48Å
306A43.9Very low51.5Low71 Ų7184.4 Ų84.459%0.58750%0.498SS*.  trans-105.410.8-171.300000114.9A302 G303 N308A302-A306 HydrophobicContact CB-CB 4.29Å; G303-A306 PolarHBondContact O-N 2.99Å; A306-N308 PolarHBondContact O-N 3.18Å
307F53.1Low51.2Low92 Ų9284.6 Ų84.640%0.40451%0.506SS..  trans-84.673.1-166.9-166.6-113000114.2L267 I309 I312L267-F307 HydrophobicContact CD2-CE1 4.08Å; L267-F307 HydrophobicContact CD2-CZ 3.68Å; F307-I309 HydrophobicContact CD1-CD1 4.39Å; F307-I309 HydrophobicContact CD1-CG1 3.91Å; F307-I309 HydrophobicContact CE1-CD1 3.7Å; F307-I309 HydrophobicContact CE1-CG1 3.42Å; F307-I309 VanDerWaalsContact CE1-CG1 3.42Å; F307-I309 HydrophobicContact CZ-CD1 4.42Å; F307-I309 HydrophobicContact CZ-CG1 3.94Å; F307-I309 PolarHBondContact O-N 3.39Å; F307-I312 HydrophobicContact CE2-CD1 3.97Å
308N51.9Low51Low90 Ų9085 Ų8548%0.48151%0.508SS..  trans-90.597173.5-160.4-34.1000111.5A306 T310 T311A306-N308 PolarHBondContact O-N 3.18Å; N308-T310 PolarHBondContact O-N 3.36Å; N308-T310 WeakPolarHBondContact OD1-CB 3.21Å; N308-T310 PolarHBondContact OD1-N 2.77Å; N308-T310 PolarHBondContact OD1-OG1 3.39Å; N308-T311 WeakPolarHBondContact O-CB 3.38Å; N308-T311 PolarHBondContact O-N 3.16Å
309I50.7Low50.7Low44 Ų4484.2 Ų84.223%0.22651%0.508CS..Hα-helixtrans-56.1-33.6-179.1-54.4179.1000111.6F307 T311 I312 L313F307-I309 HydrophobicContact CD1-CD1 4.39Å; F307-I309 HydrophobicContact CD1-CG1 3.91Å; F307-I309 HydrophobicContact CE1-CD1 3.7Å; F307-I309 HydrophobicContact CE1-CG1 3.42Å; F307-I309 VanDerWaalsContact CE1-CG1 3.42Å; F307-I309 HydrophobicContact CZ-CD1 4.42Å; F307-I309 HydrophobicContact CZ-CG1 3.94Å; F307-I309 PolarHBondContact O-N 3.39Å; I309-T311 VanDerWaalsContact C-N 3.26Å; I309-T311 PolarHBondContact O-N 2.92Å; I309-I312 PolarHBondContact O-N 2.97Å; I309-I312 VanDerWaalsContact O-N 3.08Å; I309-L313 HydrophobicContact CG2-CD1 3.89Å; I309-L313 HydrophobicContact CG2-CG 4.06Å; I309-L313 PolarHBondContact O-N 2.93Å
310T52Low50.2Low94 Ų9484.1 Ų84.158%0.57751%0.514SS*.Hα-helixtrans-53.8-43.4175.9-35.60000111.6N308 L313 S314N308-T310 PolarHBondContact O-N 3.36Å; N308-T310 WeakPolarHBondContact OD1-CB 3.21Å; N308-T310 PolarHBondContact OD1-N 2.77Å; N308-T310 PolarHBondContact OD1-OG1 3.39Å; T310-L313 PolarHBondContact O-N 2.82Å; T310-S314 WeakPolarHBondContact O-CB 3.25Å; T310-S314 PolarHBondContact O-N 3.49Å; T310-S314 PolarHBondContact O-OG 2.99Å; T310-S314 VanDerWaalsContact O-OG 3.1Å
311T53.8Low49.7Very low85 Ų8582 Ų8252%0.52150%0.504SS..Hα-helixtrans-67.5-37179.3-49.30000111.9N308 I309 Q315N308-T311 WeakPolarHBondContact O-CB 3.38Å; N308-T311 PolarHBondContact O-N 3.16Å; I309-T311 VanDerWaalsContact C-N 3.26Å; I309-T311 PolarHBondContact O-N 2.92Å; T311-Q315 WeakPolarHBondContact O-CB 3.28Å; T311-Q315 PolarHBondContact O-N 3.08Å
312I56.1Low49.2Very low62 Ų6284.1 Ų84.132%0.31851%0.507SS..Hα-helixtrans-69.7-44.2176.3-63.1175.7000110.5F307 I309 Q315 A316F307-I312 HydrophobicContact CE2-CD1 3.97Å; I309-I312 PolarHBondContact O-N 2.97Å; I309-I312 VanDerWaalsContact O-N 3.08Å; I312-Q315 PolarHBondContact O-N 3Å; I312-A316 VanDerWaalsContact O-CB 3.3Å; I312-A316 WeakPolarHBondContact O-CB 3.29Å; I312-A316 PolarHBondContact O-N 2.99Å
313L53.3Low48.8Very low81 Ų8184.2 Ų84.242%0.42451%0.508SS..Hα-helixtrans-63.9-42.3176.5-71.4173000111.9V282 I309 T310 A317V282-L313 HydrophobicContact CG1-CD2 4.29Å; V282-L313 HydrophobicContact CG2-CD2 4.24Å; I309-L313 HydrophobicContact CG2-CD1 3.89Å; I309-L313 HydrophobicContact CG2-CG 4.06Å; I309-L313 PolarHBondContact O-N 2.93Å; T310-L313 PolarHBondContact O-N 2.82Å; L313-A317 VanDerWaalsContact O-CB 3.26Å; L313-A317 WeakPolarHBondContact O-CB 3.34Å; L313-A317 PolarHBondContact O-N 3.11Å
314S54Low48.7Very low62 Ų6289.5 Ų89.543%0.43452%0.52SS..Hα-helixtrans-63.3-43.7173-64.90000112.3T310 A317 Q318T310-S314 WeakPolarHBondContact O-CB 3.25Å; T310-S314 PolarHBondContact O-N 3.49Å; T310-S314 PolarHBondContact O-OG 2.99Å; T310-S314 VanDerWaalsContact O-OG 3.1Å; S314-A317 PolarHBondContact O-N 3.24Å; S314-Q318 WeakPolarHBondContact O-CB 3.45Å; S314-Q318 VanDerWaalsContact O-CG 3.25Å; S314-Q318 WeakPolarHBondContact O-CG 3.45Å; S314-Q318 PolarHBondContact O-N 2.71Å
315Q53.2Low48.1Very low87 Ų8791 Ų9141%0.40752%0.515SS..Hα-helixtrans-67.6-37.1179.4-172.2158.1107.900111.9T311 I312 L319T311-Q315 WeakPolarHBondContact O-CB 3.28Å; T311-Q315 PolarHBondContact O-N 3.08Å; I312-Q315 PolarHBondContact O-N 3Å; Q315-L319 WeakPolarHBondContact O-CG 3.4Å; Q315-L319 PolarHBondContact O-N 2.9Å; Q315-L319 VanDerWaalsContact O-N 3.08Å
316A51.6Low47.5Very low36 Ų3689.5 Ų89.530%0.29850%0.504SS..Hα-helixtrans-67.7-42.5172.700000112.2I312 Q318 L319 S320I312-A316 VanDerWaalsContact O-CB 3.3Å; I312-A316 WeakPolarHBondContact O-CB 3.29Å; I312-A316 PolarHBondContact O-N 2.99Å; A316-Q318 VanDerWaalsContact C-N 3.34Å; A316-Q318 PolarHBondContact O-N 3.43Å; A316-L319 PolarHBondContact O-N 3.01Å; A316-S320 WeakPolarHBondContact O-CB 3.45Å; A316-S320 PolarHBondContact O-N 3.43Å
317A52.3Low46.9Very low51 Ų5192.6 Ų92.642%0.42151%0.511SS..Hα-helixtrans-64.6-36.4175.800000112.4L313 S314 N321L313-A317 VanDerWaalsContact O-CB 3.26Å; L313-A317 WeakPolarHBondContact O-CB 3.34Å; L313-A317 PolarHBondContact O-N 3.11Å; S314-A317 PolarHBondContact O-N 3.24Å; A317-N321 PolarHBondContact O-N 2.97Å; A317-N321 PolarHBondContact O-ND2 3.13Å
318Q51.6Low45.9Very low136 Ų13697.3 Ų97.364%0.63653%0.534SS*.Hα-helixtrans-65.2-45.1173.6-76.8170.3-16.400112S314 A316 N321 Q322S314-Q318 WeakPolarHBondContact O-CB 3.45Å; S314-Q318 VanDerWaalsContact O-CG 3.25Å; S314-Q318 WeakPolarHBondContact O-CG 3.45Å; S314-Q318 PolarHBondContact O-N 2.71Å; A316-Q318 VanDerWaalsContact C-N 3.34Å; A316-Q318 PolarHBondContact O-N 3.43Å; Q318-N321 PolarHBondContact O-N 2.81Å; Q318-Q322 PolarHBondContact O-N 3.29Å; Q318-Q322 VanDerWaalsContact O-N 3.17Å
319L47.3Very low44.8Very low89 Ų8998 Ų9847%0.46655%0.546SS..Hα-helixtrans-65.5-37.8176-71.2168.4000112.2Q315 A316 Q322Q315-L319 WeakPolarHBondContact O-CG 3.4Å; Q315-L319 PolarHBondContact O-N 2.9Å; Q315-L319 VanDerWaalsContact O-N 3.08Å; A316-L319 PolarHBondContact O-N 3.01Å; L319-Q322 PolarHBondContact O-N 3.42Å
320S42.7Very low44Very low74 Ų74101.8 Ų101.852%0.51757%0.574SS.*Hα-helixtrans-60.8-44.3173.8-1740000112.2A316 Q322 A323A316-S320 WeakPolarHBondContact O-CB 3.45Å; A316-S320 PolarHBondContact O-N 3.43Å; S320-Q322 VanDerWaalsContact C-N 3.34Å; S320-Q322 PolarHBondContact O-N 3.36Å; S320-A323 PolarHBondContact O-N 3.23Å
321N43.3Very low42.8Very low102 Ų102104.7 Ų104.755%0.54558%0.582SS.*Hα-helixtrans-64.7-34.6177.1-85.6-93.7000113A317 Q318 A323 Q324A317-N321 PolarHBondContact O-N 2.97Å; A317-N321 PolarHBondContact O-ND2 3.13Å; Q318-N321 PolarHBondContact O-N 2.81Å; N321-A323 PolarHBondContact O-N 2.86Å; N321-Q324 PolarHBondContact O-N 3.03Å
322Q40.6Very low41.8Very low145 Ų145106.6 Ų106.668%0.67860%0.599SS**Hα-helixtrans-60.4-35.6178.6-168.7176.9103.800112.1Q318 L319 S320 Q324 Q325Q318-Q322 PolarHBondContact O-N 3.29Å; Q318-Q322 VanDerWaalsContact O-N 3.17Å; L319-Q322 PolarHBondContact O-N 3.42Å; S320-Q322 VanDerWaalsContact C-N 3.34Å; S320-Q322 PolarHBondContact O-N 3.36Å; Q322-Q324 VanDerWaalsContact C-N 3.26Å; Q322-Q324 PolarHBondContact O-N 3.02Å; Q322-Q325 PolarHBondContact O-N 2.9Å
323A38.2Very low40.6Very low54 Ų54110.2 Ų110.245%0.44662%0.618SS.*THydrogen-bonded Turntrans-70-15.4179.800000114.5S320 N321S320-A323 PolarHBondContact O-N 3.23Å; N321-A323 PolarHBondContact O-N 2.86Å
324Q40.8Very low39.5Very low158 Ų158112.4 Ų112.474%0.73864%0.635SS**THydrogen-bonded Turntrans-90-7.7-179.9-68.3-160.3-88.600114.7N321 Q322N321-Q324 PolarHBondContact O-N 3.03Å; Q322-Q324 VanDerWaalsContact C-N 3.26Å; Q322-Q324 PolarHBondContact O-N 3.02Å
325Q35.5Very low38.4Very low174 Ų174115.3 Ų115.381%0.81366%0.655SS**THydrogen-bonded Turntrans-109.1-15.1-178.8-66.1-169.4-9.700114.4Q322 N327Q322-Q325 PolarHBondContact O-N 2.9Å; Q325-N327 VanDerWaalsContact C-N 3.26Å; Q325-N327 PolarHBondContact O-N 3.33Å; Q325-N327 VanDerWaalsContact O-N 3.12Å
326S31.9Very low37.1Very low93 Ų93118.3 Ų118.365%0.6567%0.674SS**  trans-86.952175.766.50000113.1
327N31.5Very low35.9Very low135 Ų135120.8 Ų120.872%0.72270%0.695SS**  trans-13671172.5-98.4-75000111Q325Q325-N327 VanDerWaalsContact C-N 3.26Å; Q325-N327 PolarHBondContact O-N 3.33Å; Q325-N327 VanDerWaalsContact O-N 3.12Å
328Q31.2Very low34.8Very low191 Ų191123.8 Ų123.889%0.89371%0.713SS**  trans-125.5108.5158.5-73.8-167.644.800108.8
329S28.5Very low33.6Very low106 Ų106122.5 Ų122.574%0.74172%0.719SS**PPolyproline II helixtrans-84.9143.5174-46.30000110.8
330P35.3Very low33.5Very low123 Ų123123.3 Ų123.380%0.79973%0.729SS**PPolyproline II helixtrans-81.9156.1147.432.2-27.6000110.4
331M26.7Very low33.4Very low154 Ų154131.9 Ų131.976%0.75975%0.75SS**PPolyproline II helixtrans-74.2155.7-176.4-65.7167.157.900113.5L333M331-L333 HydrophobicContact CE-CD2 3.77Å; M331-L333 HydrophobicContact CE-CG 4.22Å
332S31.4Very low32.8Very low125 Ų125132.5 Ų132.587%0.87476%0.762SS**  trans-146.5151.7141.1-79.40000109.1
333L32.6Very low32.3Very low138 Ų138134.8 Ų134.872%0.72377%0.766SS**  trans-103.8159.3-159.9-72.7168.8000113.6M331M331-L333 HydrophobicContact CE-CD2 3.77Å; M331-L333 HydrophobicContact CE-CG 4.22Å
334T30.1Very low31.9Very low127 Ų127139 Ų13978%0.77979%0.786SS**  trans11.4128.7162.1139.80000118.7
335S29.3Very low31.3Very low123 Ų123135.7 Ų135.786%0.8678%0.781SS**  -148.8135.8120.9-134.40000111.8
336D26.3Very low31.6Very low150 Ų150133 Ų13380%0.80278%0.778SS**  trans-84.3146.4169.2169.644.9000110.5
337A27.6Very low31.5Very low88 Ų88140 Ų14073%0.72779%0.79SS**  trans-171.9112.4159.800000113.6
338S27.4Very low31.4Very low114 Ų114140.7 Ų140.780%0.79779%0.793SS**  trans56.4102.4142.9-66.20000121.8
339S28Very low31.2Very low110 Ų110136.2 Ų136.277%0.76978%0.782SS**  -65.7174.5126-144.30000109.8
340P45.1Very low31.4Very low105 Ų105137.1 Ų137.168%0.68278%0.783SS**  cis-136.4178.44.443.1-26000115.8
341R40.9Very low31.7Very low255 Ų255136.5 Ų136.596%0.96278%0.779SS**  trans-87.8115.5159.5-167.8179.2-166.8170.64.1108.7
342S29.4Very low31.8Very low114 Ų114138 Ų13880%0.79779%0.785SS**  trans-140.6170.8176.3-160.70000112.4
343Y30.8Very low31.6Very low194 Ų194137.8 Ų137.876%0.76178%0.778SS**  trans-120.5142.5-152.8-152.5-90.1000112.3
344V29Very low31.4Very low143 Ų143137.9 Ų137.987%0.86778%0.779SS**  trans-134.5138.4162.5175.80000109
345S28.6Very low31.4Very low88 Ų88138.1 Ų138.162%0.61578%0.781SS**  trans-96.5162-166-63.80000114.3
346P41.5Very low31.6Very low118 Ų118135.7 Ų135.777%0.76678%0.775SS**  trans-95.3175.9-178.639.3-37.6000114.1
347R30.4Very low32.5Very low238 Ų238134.4 Ų134.490%0.89877%0.774SS**  trans-103156.9148.1-71.5-167.7173.8-163.91.4107.6
348I28.9Very low32.6Very low151 Ų151137.3 Ų137.377%0.77478%0.777SS**  cis-147.3149.341.7-72.7170.1000111.1
349S27Very low32.7Very low97 Ų97140.8 Ų140.868%0.67878%0.778SS**  trans64.4101.7159.5-67.40000123.2
350T32.7Very low32.5Very low124 Ų124140.5 Ų140.576%0.76178%0.776SS**  46.6150.1116.960.80000123.6
351P42.5Very low31.6Very low110 Ų110142.9 Ų142.971%0.71478%0.777SS**  cis-147.7165.7-35.442.4-24.8000117.4
352Q28Very low31Very low186 Ų186137.6 Ų137.687%0.86977%0.767SS**  trans82149141.9-135.1175.958.100123.5
353T27.9Very low30.7Very low121 Ų121137.3 Ų137.374%0.74277%0.765SS**  trans79.7128.7163.3-117.70000117.3
354N27.4Very low30.6Very low139 Ų139132.7 Ų132.774%0.74377%0.768SS**  cis-156.5-177-17.9-148.3-14.3000112.2
355V31.4Very low30.4Very low133 Ų133134.5 Ų134.581%0.80677%0.767SS**  trans-50.3165.3175.1-63.70000115.9
356G32.2Very low31.5Very low71 Ų71135 Ų13573%0.73277%0.768SS**  cis-174.7-16712.300000115
357P46.1Very low30.7Very low123 Ų123135.2 Ų135.280%0.79977%0.767SS**  trans-121.1176.4-159.743-34000116.9
358L29.6Very low30.6Very low150 Ų150131 Ų13179%0.78576%0.76SS**  trans177.1125.4144-92.2159000110
359K29.8Very low30.5Very low186 Ų186129.2 Ų129.281%0.80976%0.762SS**  49.4140.4101-66.1-170.6-174.2177.60116.4
360S23.7Very low30.7Very low104 Ų104133.4 Ų133.473%0.72777%0.77SS**  cis-172.9-165.7-6.746.20000108.1
361H26.1Very low31.3Very low155 Ų155132.7 Ų132.772%0.71877%0.768SS**  cis-169.1160.18.9-152.5-152.6000111.8
362L28.3Very low30.4Very low144 Ų144136.2 Ų136.275%0.75477%0.772SS**  trans63.6146.4165.3-59.4174.2000119
363S23.8Very low30.3Very low108 Ų108133.5 Ų133.576%0.75577%0.768SS**  cis96134.826.6-157.10000113.2
364A27.6Very low30.2Very low98 Ų98132.6 Ų132.681%0.8177%0.766SS**  cis-147.2-16416.200000115.1
365Q24.2Very low30.2Very low181 Ų181132.4 Ų132.485%0.84677%0.771SS**  trans-111.9-164.1-173.6-106.9-160.619.700112
366P52Low30.8Very low99 Ų99131.3 Ų131.364%0.64377%0.766SS**  -135.8-139.2-5341.1-21.8000112.5
367V24.7Very low30.4Very low122 Ų122134 Ų13474%0.73977%0.768SS**  trans94.4148162.9-178.70000118.6
368I29.4Very low29.5Very low148 Ų148133.8 Ų133.876%0.75976%0.764SS**  -170.9159.1-50.1-126.3166.7000112.2
369S26.8Very low29.4Very low115 Ų115136.1 Ų136.180%0.80477%0.768SS**  trans76.5154.9159.3-82.20000124.5
370Q30.9Very low29.3Very low184 Ų184136 Ų13686%0.8677%0.77SS**  trans-114-143.2172.4-56.5-173.3-8.700109.4
371P44.6Very low30.2Very low109 Ų109136.8 Ų136.871%0.70877%0.773SS**  cis-144.3-167.3-939.1-16000117.3
372K24.6Very low30.9Very low184 Ų184134.8 Ų134.880%0.877%0.774SS**  131.2165.8127.6-158.3163.9-179.8-179.90118.2
373V24.9Very low30.7Very low129 Ų129136.6 Ų136.678%0.78278%0.778SS**  trans92129.3174.8-175.40000114.4
374S25.5Very low30.9Very low102 Ų102137 Ų13771%0.71378%0.78SS**  cis111.5142.76.9-56.20000116.4
375T27.1Very low30.8Very low136 Ų136140.8 Ų140.883%0.83478%0.782SS**  trans-114.1-167-168.857.90000111.2
376P45.3Very low31.6Very low109 Ų109137 Ų13771%0.70877%0.772SS**  cis-144.8-164.71.837.6-12.8000117.8
377V24.1Very low30.2Very low129 Ų129139.2 Ų139.278%0.78279%0.785SS**  trans107.2124132128.40000124.1
378V27.4Very low30.4Very low117 Ų117138.7 Ų138.771%0.70979%0.786SS**  trans91.1132.9141.21590000126.3
379K27.4Very low30.3Very low200 Ų200141.1 Ų141.187%0.8780%0.795SS**  trans87.9149.4152.4-96.2165.1-173.9178.30124
380Q26.7Very low30.3Very low182 Ų182143.8 Ų143.885%0.8579%0.794SS**  trans-125.6178169.6-66.4179.6-43.200107.8
381P42.5Very low30Very low121 Ų121140.8 Ų140.879%0.78679%0.793SS**  cis-117.9-132.2-12.131.4-7000108.3
382P40.7Very low29Very low113 Ų113142.6 Ų142.673%0.73480%0.797SS**  cis-136.1162.6-21.939.2-20.3000118.3
383H24.8Very low29Very low182 Ų182138.9 Ų138.984%0.84379%0.794SS**  trans33.9112.6140.4-160.473.3000122.8
384S26.9Very low29Very low116 Ų116137.8 Ų137.881%0.81179%0.792SS**  trans-163.7174.3132.850.30000110.7
385Q26.6Very low29Very low178 Ų178141.2 Ų141.283%0.83280%0.797SS**  trans-119.4-154.6-163-146.3-162.5-12.500112.6
386P39.7Very low29.2Very low101 Ų101143.3 Ų143.366%0.65679%0.794SS**  trans-114.2160.1-130.840.6-24.8000116.1
387T24.3Very low28.9Very low147 Ų147143.1 Ų143.190%0.90279%0.793SS**  trans-144.6138.6155.9-32.40000112
388S27.6Very low29.1Very low110 Ų110145 Ų14577%0.76979%0.793SS**  trans-75.3153.5170-44.40000111.7
389Q28.3Very low29.2Very low200 Ų200141.9 Ų141.994%0.93578%0.784SS**  trans-153.1160.3138.2-119.2171.530.800112.9
390Q27.3Very low29.4Very low171 Ų171140.7 Ų140.780%0.79978%0.781SS**  trans-137.7130.7-166.3170-169.8-2.700107.7
391S23.5Very low29.4Very low120 Ų120139.7 Ų139.784%0.83978%0.782SS**  trans-146.8146.7168.156.30000111.1
392L23.5Very low29Very low148 Ų148137.8 Ų137.878%0.77578%0.776SS**  trans-118.8153.3-179.2-79.3163.6000109.8
393S25.2Very low28.5Very low106 Ų106138.9 Ų138.974%0.74178%0.781SS**  trans39.8119.6146.9-53.20000121.1
394S25.5Very low29Very low106 Ų106136.9 Ų136.974%0.74178%0.782SS**  -176.3129.2106.9-96.60000110.4
395E24.2Very low29.2Very low174 Ų174135.9 Ų135.981%0.81378%0.781SS**  80.19580-155166.792.100111.3
396K32.2Very low29.7Very low179 Ų179132.8 Ų132.878%0.77878%0.779SS**  74.7124.378.7178.1175.4177.7-173.20112.5
397P37.8Very low29.8Very low106 Ų106133.8 Ų133.869%0.68879%0.785SS**  -149.9152.7100.331.5-10.6000118.7
398H29.8Very low30.2Very low168 Ų168137.7 Ų137.778%0.77878%0.783SS**  trans47.4142.2152.2-63.498.3000122.1
399G28Very low31Very low51 Ų51137.9 Ų137.953%0.52678%0.78SS.*  cis169.6174.4-4.400000113.7
400H32.5Very low31.3Very low175 Ų175136.1 Ų136.181%0.8178%0.776SS**  trans69145.5167.8-27.8-73.8000116.2
401D26.1Very low31.4Very low161 Ų161134.5 Ų134.586%0.86177%0.769SS**  cis-146.5-176-5.6-151.7-16.1000111.4
402A34.1Very low31.8Very low81 Ų81139.2 Ų139.267%0.66977%0.768SS**  trans-92.9146-156.600000118.7
403T31.4Very low32.3Very low137 Ų137139.1 Ų139.184%0.8476%0.764SS**  trans-174.1144.214710.40000108.3
404T33.8Very low32.6Very low139 Ų139137.9 Ų137.985%0.85377%0.768SS**  cis-140.4-158.9-6.9-34.80000107.9
405A31.6Very low32.7Very low95 Ų95138.6 Ų138.679%0.78577%0.772SS**  trans-145.1163.9-177.700000115.5
406S37.4Very low33Very low113 Ų113138.9 Ų138.979%0.7977%0.774SS**  trans-88.4147.2175.7177.90000112.8
407P41.7Very low33Very low123 Ų123141.8 Ų141.880%0.79978%0.78SS**  trans-94.6169.6168.336.4-32000113.8
408R33.3Very low32.8Very low228 Ų228142.1 Ų142.186%0.8679%0.785SS**  trans-138.2148.8-153.8-144.2-167.9-177.6131.3-5.1114
409T44.3Very low33.3Very low114 Ų114139.5 Ų139.570%0.69978%0.783SS**  trans10.3136.2150.558.10000121.9
410L34Very low33.7Very low163 Ų163142.7 Ų142.785%0.85380%0.797SS**  trans-152.3161.9151.6-71.7179.4000109.7
411Q30.1Very low34.2Very low138 Ų138140.3 Ų140.365%0.64580%0.797SS**  cis-168.2126-39.3160.8166-141.600110.2
412R31.5Very low34.8Very low219 Ų219135.9 Ų135.983%0.82679%0.789SS**  trans-178.4118.7139.1-100.4-178.7-179.4-77-2.7107.8
413Q34.4Very low35.2Very low146 Ų146138 Ų13868%0.68280%0.796SS**  60.4123.968.7-63.1-170.33700113.6
414G30.4Very low35.1Very low80 Ų80139.2 Ų139.283%0.82580%0.797SS**  cis144.3145-7.700000113.1
415S27.1Very low35.2Very low120 Ų120141.2 Ų141.284%0.83980%0.797SS**  trans-152.7125.1167.3-162.60000113.8
416Q31.2Very low35.1Very low181 Ų181141.5 Ų141.585%0.84679%0.789SS**  trans10.3143166.6-55.2-55.7-1900123.9
417R31.8Very low34.7Very low240 Ų240142.1 Ų142.191%0.90679%0.793SS**  trans-123.4125.4168.1172.4-171.9179.8-171.21.7109
418S33.6Very low34.3Very low113 Ų113142 Ų14279%0.7980%0.795SS**  trans-99.2151.5174.8-580000112.3
419P40.9Very low34.1Very low112 Ų112135 Ų13573%0.72779%0.793SS**  trans-109.2157.9-177.639.2-32.8000114.9
420S37Very low33.9Very low118 Ų118134.5 Ų134.583%0.82579%0.794SS**  trans69.3161.7155.9-670000116.3
421P42.1Very low33.9Very low126 Ų126133.9 Ų133.982%0.81879%0.792SS**  cis-122.9167.821.241.9-28.5000117
422G40.1Very low34.2Very low67 Ų67131.5 Ų131.569%0.69180%0.796SS**  trans-99.2151.6162.500000111.5
423P40.7Very low34.5Very low125 Ų125126.1 Ų126.181%0.81279%0.792SS**  trans-91.4130.7-174.734-32.8000113.3
424N31Very low34.5Very low163 Ų163127 Ų12787%0.87280%0.802SS**  trans-147.1106.4163.7-101.3-16.4000108.7
425H34.4Very low34.9Very low182 Ų182128.1 Ų128.184%0.84380%0.803SS**  trans-159.4170.9141.3-145.1-115.4000112.8
426V31.2Very low35.3Very low101 Ų101127.5 Ų127.561%0.61281%0.805SS**  trans-102.9169.4-162.5-51.40000113.7
427S27.2Very low35.9Very low126 Ų126124.8 Ų124.888%0.88181%0.806SS**  trans-138.1135.5146.6-78.70000109.4
428S33.2Very low36.3Very low121 Ų121117.9 Ų117.985%0.84680%0.8SS**  trans-91.2147.8-174-57.30000113.1
429G29.7Very low36.9Very low80 Ų80118.3 Ų118.383%0.82580%0.8SS**  trans-138.2130.9160.700000108.7
430S40.7Very low37.4Very low103 Ų103119.4 Ų119.472%0.7281%0.808SS**  trans-95.7149.2-167.558.20000113.5
431N33.9Very low37.5Very low151 Ų151117.1 Ų117.181%0.80780%0.803SS**  -174.1132.8109.2-88.9-5.4000114.8
432A35.8Very low37.4Very low88 Ų88116.3 Ų116.373%0.72781%0.806SS**  trans35.2114.2145.200000122.9
433S37.7Very low37.5Very low105 Ų105118.4 Ų118.473%0.73481%0.81SS**  92.2132.9115.771.60000123
434N35.6Very low37.4Very low166 Ų166117.3 Ų117.389%0.88881%0.812SS**  trans86.7151152.2-64.70000120
435A38.3Very low38.2Very low103 Ų103115.5 Ų115.585%0.85181%0.807SS**  trans-132.5152.8-153.400000113.2
436A36.1Very low38.9Very low107 Ų107117.5 Ų117.588%0.88481%0.807SS**  trans-157.4151.7151.200000109.2
437S42.9Very low39.5Very low124 Ų124118.2 Ų118.287%0.86781%0.814SS**  trans-101.5139.2179.747.50000112
438A39.9Very low40.6Very low95 Ų95117.5 Ų117.579%0.78581%0.809SS**  trans-148.6150.3172.900000111
439P47.4Very low41.5Very low121 Ų121117.4 Ų117.479%0.78681%0.806SS**  trans-81.8164.2-173.833.4-36.4000113.8
440P50.8Low43Very low136 Ų136119.1 Ų119.188%0.88381%0.806SS**  trans-76.1130-175.730.4-35.2000112.9
441G38Very low44.4Very low70 Ų70117.8 Ų117.872%0.72279%0.79SS**  trans-167.9151.6173.400000112.9
442A40.2Very low46.5Very low108 Ų108114.4 Ų114.489%0.89378%0.775SS**SBendtrans65.6142.8178.700000117.8A444A442-A444 PolarHBondContact O-N 3.12Å
443S43.2Very low48.3Very low111 Ų111115.3 Ų115.378%0.77677%0.774SS**  trans-56124-174.9-52.10000114V445S443-V445 PolarHBondContact O-N 2.92Å
444A38.9Very low50.1Low103 Ų103115.5 Ų115.585%0.85177%0.771SS**  trans-71.475.9167.400000111.2A442 R446A442-A444 PolarHBondContact O-N 3.12Å; A444-R446 PolarHBondContact O-N 3.38Å; A444-R446 VanDerWaalsContact O-N 3.12Å
445V48Very low51.8Low125 Ų125112.1 Ų112.176%0.75875%0.752SS**  trans-57.3114.6161177.20000106.6S443S443-V445 PolarHBondContact O-N 2.92Å
446R47.4Very low53.5Low223 Ų223109.8 Ų109.884%0.84273%0.732SS**  trans-55.1136.4176.2-74.4-178.7172.3178.3-2.9108.5A444 S448A444-R446 PolarHBondContact O-N 3.38Å; A444-R446 VanDerWaalsContact O-N 3.12Å; R446-S448 PolarHBondContact O-N 3.19Å
447P43.8Very low55.5Low117 Ų117109.7 Ų109.776%0.7672%0.721SS**  trans-59.6114.9173.225.5-33000108.3C449P447-C449 PolarHBondContact O-N 3.41Å
448S50Low57.2Low111 Ų111111.4 Ų111.478%0.77672%0.715SS**  trans-61.5107.7173.2-59.80000107.9R446 S450R446-S448 PolarHBondContact O-N 3.19Å; S448-S450 PolarHBondContact O-N 3.36Å
449C52.7Low59.3Low118 Ų118111.2 Ų111.280%0.79770%0.696SS**  trans-57.2105.8175.3-67.10000108.6P447 L451P447-C449 PolarHBondContact O-N 3.41Å; C449-L451 VanDerWaalsContact C-N 3.32Å; C449-L451 PolarHBondContact O-N 3.17Å
450S60.6Low61.2Low116 Ų116109.4 Ų109.481%0.81168%0.68SS**  trans-68.592.4177.737.50000108.9S448 T452S448-S450 PolarHBondContact O-N 3.36Å; S450-T452 PolarHBondContact O-N 3.41Å
451L70.3Confident63Low76 Ų76107.6 Ų107.640%0.39866%0.66SS.*  trans-48.7129.6167.6-71.9134.4000108.2C449 L455 F459C449-L451 VanDerWaalsContact C-N 3.32Å; C449-L451 PolarHBondContact O-N 3.17Å; L451-L455 HydrophobicContact CB-CB 4.22Å; L451-L455 HydrophobicContact CD2-CB 3.79Å; L451-L455 HydrophobicContact CD2-CD1 4.48Å; L451-F459 HydrophobicContact CD1-CB 3.99Å; L451-F459 HydrophobicContact CD1-CD1 3.64Å; L451-F459 HydrophobicContact CD1-CD2 3.88Å; L451-F459 HydrophobicContact CD1-CE1 4.05Å; L451-F459 HydrophobicContact CD1-CE2 4.26Å; L451-F459 HydrophobicContact CD1-CG 3.55Å; L451-F459 HydrophobicContact CD1-CZ 4.34Å; L451-F459 HydrophobicContact CD2-CB 4.28Å; L451-F459 HydrophobicContact CD2-CD2 4.29Å; L451-F459 HydrophobicContact CD2-CG 4.37Å
452T79.9Confident65.5Low79 Ų79110 Ų11049%0.48566%0.656SS.*  trans-57.7152.7173.148.30000109.5S450 T454 L455 A456S450-T452 PolarHBondContact O-N 3.41Å; T452-T454 PolarHBondContact O-N 2.87Å; T452-L455 WeakPolarHBondContact O-CA 3.46Å; T452-L455 PolarHBondContact O-N 3.02Å; T452-A456 PolarHBondContact O-N 3.49Å
453P72.2Confident67.9Low108 Ų108109.6 Ų109.670%0.70164%0.639SS**Hα-helixtrans-52.6-35.4-174.2-29.936.4000113.9L455 A456P453-L455 VanDerWaalsContact C-N 3.33Å; P453-L455 PolarHBondContact O-N 2.93Å; P453-A456 PolarHBondContact O-N 3.22Å
454T76.3Confident70.2Confident109 Ų109107.2 Ų107.267%0.66962%0.617SS**Hα-helixtrans-71.7-18176.8-25.30000114.8T452 T457 H458T452-T454 PolarHBondContact O-N 2.87Å; T454-T457 PolarHBondContact O-OG1 3.27Å; T454-T457 VanDerWaalsContact O-OG1 3.11Å; T454-H458 PolarHBondContact O-CD2 3.28Å
455L70.8Confident72.7Confident95 Ų95107.6 Ų107.650%0.49760%0.599SS.*Hα-helixtrans-95.3-30.3172.9-70.8176.1000111.9L451 T452 P453 T457 H458 F459L451-L455 HydrophobicContact CB-CB 4.22Å; L451-L455 HydrophobicContact CD2-CB 3.79Å; L451-L455 HydrophobicContact CD2-CD1 4.48Å; T452-L455 WeakPolarHBondContact O-CA 3.46Å; T452-L455 PolarHBondContact O-N 3.02Å; P453-L455 VanDerWaalsContact C-N 3.33Å; P453-L455 PolarHBondContact O-N 2.93Å; L455-T457 PolarHBondContact O-N 3.1Å; L455-H458 PolarHBondContact O-N 3.18Å; L455-F459 PolarHBondContact O-N 2.87Å
456A74.8Confident74.8Confident53 Ų53106.9 Ų106.944%0.43859%0.587SS.*Hα-helixtrans-58.8-34.2176.600000112.4T452 P453 H458 F459T452-A456 PolarHBondContact O-N 3.49Å; P453-A456 PolarHBondContact O-N 3.22Å; A456-H458 PolarHBondContact O-N 2.7Å; A456-F459 PolarHBondContact O-N 3.42Å
457T77Confident76.8Confident105 Ų105100.7 Ų100.764%0.64457%0.574SS**THydrogen-bonded Turntrans-63.9-19.5174490000114.6T454 L455T454-T457 PolarHBondContact O-OG1 3.27Å; T454-T457 VanDerWaalsContact O-OG1 3.11Å; L455-T457 PolarHBondContact O-N 3.1Å
458H78.4Confident78.9Confident161 Ų161102.6 Ų102.675%0.74557%0.573SS**THydrogen-bonded Turntrans-107.3-3.4177.7-61.7-69.1000113.1T454 L455 A456T454-H458 PolarHBondContact O-CD2 3.28Å; L455-H458 PolarHBondContact O-N 3.18Å; A456-H458 PolarHBondContact O-N 2.7Å
459F83.9Confident80.7Confident90 Ų90100.2 Ų100.240%0.39557%0.565SS.*  trans-99.298.4-177.7-176-96.9000111.5L451 L455 A456 E461 I464L451-F459 HydrophobicContact CD1-CB 3.99Å; L451-F459 HydrophobicContact CD1-CD1 3.64Å; L451-F459 HydrophobicContact CD1-CD2 3.88Å; L451-F459 HydrophobicContact CD1-CE1 4.05Å; L451-F459 HydrophobicContact CD1-CE2 4.26Å; L451-F459 HydrophobicContact CD1-CG 3.55Å; L451-F459 HydrophobicContact CD1-CZ 4.34Å; L451-F459 HydrophobicContact CD2-CB 4.28Å; L451-F459 HydrophobicContact CD2-CD2 4.29Å; L451-F459 HydrophobicContact CD2-CG 4.37Å; L455-F459 PolarHBondContact O-N 2.87Å; A456-F459 PolarHBondContact O-N 3.42Å; F459-E461 HydrophobicContact CE1-CB 3.77Å; F459-E461 HydrophobicContact CE1-CG 3.98Å; F459-E461 HydrophobicContact CZ-CB 4.24Å; F459-E461 HydrophobicContact CZ-CG 4.07Å; F459-I464 HydrophobicContact CD2-CD1 3.7Å; F459-I464 HydrophobicContact CE2-CD1 3.4Å; F459-I464 VanDerWaalsContact CE2-CD1 3.4Å; F459-I464 HydrophobicContact CZ-CD1 4.03Å
460N88.6Confident82.4Confident84 Ų84101.6 Ų101.645%0.44955%0.554SS.*  trans-104.197.2171.7-173.8-23.8000110.5N462 L463 I464N460-N462 PolarHBondContact O-N 3.45Å; N460-N462 WeakPolarHBondContact OD1-CB 3.46Å; N460-N462 PolarHBondContact OD1-N 3.42Å; N460-N462 VanDerWaalsContact OD1-N 3.11Å; N460-L463 HydrophobicContact CB-CB 4Å; N460-L463 PolarHBondContact O-N 3.26Å; N460-L463 VanDerWaalsContact O-N 3.16Å; N460-L463 PolarHBondContact OD1-N 3.42Å; N460-L463 VanDerWaalsContact OD1-N 3.14Å; N460-I464 WeakPolarHBondContact O-CG1 3.43Å; N460-I464 PolarHBondContact O-N 2.94Å
461E88.1Confident83.7Confident98 Ų98100.1 Ų100.146%0.45854%0.542SS..Hα-helixtrans-60.4-30.2-177.9-154.5-171.4145.700113.2F459 I464 K465F459-E461 HydrophobicContact CE1-CB 3.77Å; F459-E461 HydrophobicContact CE1-CG 3.98Å; F459-E461 HydrophobicContact CZ-CB 4.24Å; F459-E461 HydrophobicContact CZ-CG 4.07Å; E461-I464 PolarHBondContact O-N 3.08Å; E461-K465 WeakPolarHBondContact O-CB 3.31Å; E461-K465 VanDerWaalsContact O-CG 3.29Å; E461-K465 WeakPolarHBondContact O-CG 3.22Å; E461-K465 PolarHBondContact O-N 3.49Å; E461-K465 WeakPolarHBondContact OE1-CE 3.37Å; E461-K465 IonicContact OE1-NZ 2.62Å; E461-K465 PolarHBondContact OE1-NZ 2.87Å
462N90.1Very high84.6Confident120 Ų12098.7 Ų98.764%0.64254%0.541SS*.Hα-helixtrans-71.8-40.3177.6-61.7-58.2000111.5N460 K465 H466N460-N462 PolarHBondContact O-N 3.45Å; N460-N462 WeakPolarHBondContact OD1-CB 3.46Å; N460-N462 PolarHBondContact OD1-N 3.42Å; N460-N462 VanDerWaalsContact OD1-N 3.11Å; N462-K465 PolarHBondContact O-N 2.96Å; N462-H466 VanDerWaalsContact O-CB 3.3Å; N462-H466 WeakPolarHBondContact O-CB 3.43Å; N462-H466 PolarHBondContact O-N 2.86Å
463L91.7Very high85.2Confident99 Ų99100.1 Ų100.152%0.51854%0.542SS..Hα-helixtrans-64.4-42173.2-179.561.1000111N460 H466 V467N460-L463 HydrophobicContact CB-CB 4Å; N460-L463 PolarHBondContact O-N 3.26Å; N460-L463 VanDerWaalsContact O-N 3.16Å; N460-L463 PolarHBondContact OD1-N 3.42Å; N460-L463 VanDerWaalsContact OD1-N 3.14Å; L463-H466 PolarHBondContact O-N 3.24Å; L463-V467 HydrophobicContact CD1-CG2 4.11Å; L463-V467 HydrophobicContact CG-CG2 4.49Å; L463-V467 WeakPolarHBondContact O-CG2 3.42Å; L463-V467 PolarHBondContact O-N 3.17Å
464I90Very high86.3Confident62 Ų62100.4 Ų100.432%0.31853%0.534SS..Hα-helixtrans-61-48.9177.1-67.3165.4000110.6F459 N460 E461 H466 V467 Q468F459-I464 HydrophobicContact CD2-CD1 3.7Å; F459-I464 HydrophobicContact CE2-CD1 3.4Å; F459-I464 VanDerWaalsContact CE2-CD1 3.4Å; F459-I464 HydrophobicContact CZ-CD1 4.03Å; N460-I464 WeakPolarHBondContact O-CG1 3.43Å; N460-I464 PolarHBondContact O-N 2.94Å; E461-I464 PolarHBondContact O-N 3.08Å; I464-H466 VanDerWaalsContact C-N 3.33Å; I464-H466 PolarHBondContact O-N 2.89Å; I464-V467 PolarHBondContact O-N 3.11Å; I464-Q468 HydrophobicContact CG2-CG 4.42Å; I464-Q468 WeakPolarHBondContact O-CB 3.24Å; I464-Q468 VanDerWaalsContact O-CG 3.25Å; I464-Q468 WeakPolarHBondContact O-CG 3.41Å; I464-Q468 PolarHBondContact O-N 3.37Å
465K91.6Very high87.1Confident111 Ų11198 Ų9848%0.48352%0.524SS..Hα-helixtrans-60.9-39.5175.6-73.8168.2-176.4166.40112.5E461 N462 G469E461-K465 WeakPolarHBondContact O-CB 3.31Å; E461-K465 VanDerWaalsContact O-CG 3.29Å; E461-K465 WeakPolarHBondContact O-CG 3.22Å; E461-K465 PolarHBondContact O-N 3.49Å; E461-K465 WeakPolarHBondContact OE1-CE 3.37Å; E461-K465 IonicContact OE1-NZ 2.62Å; E461-K465 PolarHBondContact OE1-NZ 2.87Å; N462-K465 PolarHBondContact O-N 2.96Å; K465-G469 PolarHBondContact O-N 3.17Å
466H92Very high88.2Confident110 Ų11099.7 Ų99.751%0.50953%0.53SS..Hα-helixtrans-66.8-43.6178.3-179.558.2000112.5N462 L463 I464 G469 W470N462-H466 VanDerWaalsContact O-CB 3.3Å; N462-H466 WeakPolarHBondContact O-CB 3.43Å; N462-H466 PolarHBondContact O-N 2.86Å; L463-H466 PolarHBondContact O-N 3.24Å; I464-H466 VanDerWaalsContact C-N 3.33Å; I464-H466 PolarHBondContact O-N 2.89Å; H466-G469 CarbonylContact O-C 3.6Å; H466-G469 PolarHBondContact O-N 3.04Å; H466-W470 AromaticContact CE1-CE3 3.94Å; H466-W470 AromaticContact NE2-CE3 3.5Å; H466-W470 AromaticContact NE2-CZ3 3.38Å; H466-W470 WeakPolarHBondContact NE2-CZ3 3.28Å; H466-W470 PolarHBondContact O-N 3.42Å
467V90.2Very high89.3Confident93 Ų93103.3 Ų103.356%0.56454%0.536SS*.Hα-helixtrans-68.4-39.6176.6172.80000111.4L463 I464 G469 W470L463-V467 HydrophobicContact CD1-CG2 4.11Å; L463-V467 HydrophobicContact CG-CG2 4.49Å; L463-V467 WeakPolarHBondContact O-CG2 3.42Å; L463-V467 PolarHBondContact O-N 3.17Å; I464-V467 PolarHBondContact O-N 3.11Å; V467-G469 VanDerWaalsContact C-N 3.31Å; V467-G469 PolarHBondContact O-N 3.46Å; V467-W470 WeakPolarHBondContact O-CB 3.45Å; V467-W470 PolarHBondContact O-N 3.42Å
468Q87.8Confident90.3Very high157 Ų157101.8 Ų101.873%0.73452%0.521SS*.Hα-helixtrans-68.4-27.6174.9-72.9174-9.500113.4I464I464-Q468 HydrophobicContact CG2-CG 4.42Å; I464-Q468 WeakPolarHBondContact O-CB 3.24Å; I464-Q468 VanDerWaalsContact O-CG 3.25Å; I464-Q468 WeakPolarHBondContact O-CG 3.41Å; I464-Q468 PolarHBondContact O-N 3.37Å
469G87.2Confident91.1Very high60 Ų6096.6 Ų96.662%0.61951%0.506SS*.THydrogen-bonded Turntrans-93.24.3174.500000114.5K465 H466 V467K465-G469 PolarHBondContact O-N 3.17Å; H466-G469 CarbonylContact O-C 3.6Å; H466-G469 PolarHBondContact O-N 3.04Å; V467-G469 VanDerWaalsContact C-N 3.31Å; V467-G469 PolarHBondContact O-N 3.46Å
470W89.6Confident91.8Very high148 Ų14894.7 Ų94.756%0.56150%0.504SS*.  trans-72.1126.9-178.6-169-71.7000109.7H466 V467 A472H466-W470 AromaticContact CE1-CE3 3.94Å; H466-W470 AromaticContact NE2-CE3 3.5Å; H466-W470 AromaticContact NE2-CZ3 3.38Å; H466-W470 WeakPolarHBondContact NE2-CZ3 3.28Å; H466-W470 PolarHBondContact O-N 3.42Å; V467-W470 WeakPolarHBondContact O-CB 3.45Å; V467-W470 PolarHBondContact O-N 3.42Å; W470-A472 PolarHBondContact O-N 3.2Å
471P87.3Confident92.2Very high85 Ų8598.5 Ų98.555%0.55251%0.512SS*.  trans-78.851.9-174.133.4-37.4000112.7E473 H474 A475P471-E473 VanDerWaalsContact C-N 3.33Å; P471-E473 PolarHBondContact O-N 3.31Å; P471-H474 PolarHBondContact O-N 3.19Å; P471-A475 PolarHBondContact O-N 2.96Å
472A90.3Very high92.7Very high45 Ų4599 Ų9937%0.37252%0.517SS..Hα-helixtrans-61.8-40.7-172.400000111.6W470 H474 A475 E476W470-A472 PolarHBondContact O-N 3.2Å; A472-H474 VanDerWaalsContact C-N 3.25Å; A472-H474 PolarHBondContact O-N 3.35Å; A472-A475 PolarHBondContact O-N 3.47Å; A472-E476 WeakPolarHBondContact O-CB 3.3Å; A472-E476 PolarHBondContact O-N 2.89Å
473E92.2Very high93.1Very high109 Ų109101 Ų10151%0.50952%0.516SS..Hα-helixtrans-68-26-178.6-51.376.7-173.300111.9P471 K477P471-E473 VanDerWaalsContact C-N 3.33Å; P471-E473 PolarHBondContact O-N 3.31Å; E473-K477 VanDerWaalsContact O-CB 3.32Å; E473-K477 WeakPolarHBondContact O-CB 3.43Å; E473-K477 WeakPolarHBondContact O-CD 3.22Å; E473-K477 WeakPolarHBondContact O-CE 3.43Å; E473-K477 WeakPolarHBondContact O-CG 3.16Å; E473-K477 PolarHBondContact O-N 2.96Å
474H94Very high93.4Very high115 Ų115103.2 Ų103.253%0.53252%0.524SS..Hα-helixtrans-75.4-47172-175.3-100.6000110.4P471 A472 E476 K477 Q478P471-H474 PolarHBondContact O-N 3.19Å; A472-H474 VanDerWaalsContact C-N 3.25Å; A472-H474 PolarHBondContact O-N 3.35Å; H474-E476 VanDerWaalsContact C-N 3.33Å; H474-E476 PolarHBondContact O-N 3.08Å; H474-K477 PolarHBondContact O-N 3.3Å; H474-Q478 PolarHBondContact CE1-NE2 3.01Å; H474-Q478 PolarHBondContact NE2-NE2 3.42Å; H474-Q478 WeakPolarHBondContact O-CG 3.31Å; H474-Q478 PolarHBondContact O-N 3.13Å
475A93.3Very high93.7Very high57 Ų57106 Ų10647%0.47154%0.536SS..Hα-helixtrans-59-43.6176.400000112P471 A472 Q478 A479P471-A475 PolarHBondContact O-N 2.96Å; A472-A475 PolarHBondContact O-N 3.47Å; A475-Q478 PolarHBondContact O-N 2.97Å; A475-A479 WeakPolarHBondContact O-CB 3.43Å; A475-A479 PolarHBondContact O-N 2.77Å
476E95.1Very high94Very high131 Ų131103.3 Ų103.361%0.61253%0.533SS*.Hα-helixtrans-64.3-42176.6-174.8179.9-155.700112.3A472 H474 A479 S480A472-E476 WeakPolarHBondContact O-CB 3.3Å; A472-E476 PolarHBondContact O-N 2.89Å; H474-E476 VanDerWaalsContact C-N 3.33Å; H474-E476 PolarHBondContact O-N 3.08Å; E476-A479 PolarHBondContact O-N 3.24Å; E476-S480 VanDerWaalsContact O-CB 3.26Å; E476-S480 WeakPolarHBondContact O-CB 3.48Å; E476-S480 PolarHBondContact O-N 3.45Å; E476-S480 PolarHBondContact O-OG 3.35Å
477K96.9Very high94.3Very high129 Ų129104.8 Ų104.856%0.56154%0.54SS*.Hα-helixtrans-63.8-40.3175.4-75.9164.4-1631580112E473 H474 R481E473-K477 VanDerWaalsContact O-CB 3.32Å; E473-K477 WeakPolarHBondContact O-CB 3.43Å; E473-K477 WeakPolarHBondContact O-CD 3.22Å; E473-K477 WeakPolarHBondContact O-CE 3.43Å; E473-K477 WeakPolarHBondContact O-CG 3.16Å; E473-K477 PolarHBondContact O-N 2.96Å; H474-K477 PolarHBondContact O-N 3.3Å; K477-R481 VanDerWaalsContact O-CG 3.31Å; K477-R481 WeakPolarHBondContact O-CG 3.41Å; K477-R481 PolarHBondContact O-N 3.05Å
478Q97.3Very high94.7Very high74 Ų74103.5 Ų103.535%0.34654%0.535SS..Hα-helixtrans-69.4-43.5175.8-61.2-61.1-4.500111.6H474 A475 S480 R481 L482H474-Q478 PolarHBondContact CE1-NE2 3.01Å; H474-Q478 PolarHBondContact NE2-NE2 3.42Å; H474-Q478 WeakPolarHBondContact O-CG 3.31Å; H474-Q478 PolarHBondContact O-N 3.13Å; A475-Q478 PolarHBondContact O-N 2.97Å; Q478-S480 VanDerWaalsContact C-N 3.29Å; Q478-S480 PolarHBondContact O-N 3.13Å; Q478-R481 PolarHBondContact O-N 3.36Å; Q478-L482 WeakPolarHBondContact O-CB 3.27Å; Q478-L482 WeakPolarHBondContact O-CG 3.36Å; Q478-L482 PolarHBondContact O-N 3.32Å
479A97Very high95.2Very high51 Ų51102.1 Ų102.142%0.42153%0.531SS..Hα-helixtrans-62.2-35.6175.400000112.6A475 E476 R483A475-A479 WeakPolarHBondContact O-CB 3.43Å; A475-A479 PolarHBondContact O-N 2.77Å; E476-A479 PolarHBondContact O-N 3.24Å; A479-R483 VanDerWaalsContact O-CB 3.32Å; A479-R483 WeakPolarHBondContact O-CB 3.27Å; A479-R483 PolarHBondContact O-N 2.89Å
480S97.6Very high95.7Very high51 Ų51101.2 Ų101.236%0.35752%0.521SS..Hα-helixtrans-69.4-42.3175.5-600000112E476 Q478 R483 E484E476-S480 VanDerWaalsContact O-CB 3.26Å; E476-S480 WeakPolarHBondContact O-CB 3.48Å; E476-S480 PolarHBondContact O-N 3.45Å; E476-S480 PolarHBondContact O-OG 3.35Å; Q478-S480 VanDerWaalsContact C-N 3.29Å; Q478-S480 PolarHBondContact O-N 3.13Å; S480-R483 WeakPolarHBondContact O-CB 3.5Å; S480-R483 PolarHBondContact O-N 2.89Å; S480-E484 PolarHBondContact O-N 2.91Å
481R98.1Very high96.1Very high163 Ų16398.2 Ų98.262%0.61552%0.523SS*.Hα-helixtrans-61.3-49.9173.5-76.4173.6175-155.9-3.2112.1K477 Q478 R483 E484 E485K477-R481 VanDerWaalsContact O-CG 3.31Å; K477-R481 WeakPolarHBondContact O-CG 3.41Å; K477-R481 PolarHBondContact O-N 3.05Å; Q478-R481 PolarHBondContact O-N 3.36Å; R481-R483 PolarHBondContact O-N 3.06Å; R481-E484 PolarHBondContact O-N 3.4Å; R481-E484 VanDerWaalsContact O-N 3.14Å; R481-E485 VanDerWaalsContact O-CB 3.31Å; R481-E485 WeakPolarHBondContact O-CB 3.43Å; R481-E485 PolarHBondContact O-N 3.32Å
482L97.8Very high96.6Very high109 Ų10998.4 Ų98.457%0.57152%0.518SS*.Hα-helixtrans-61.8-33.2178.3-70.1169.7000112.1Q478 A486Q478-L482 WeakPolarHBondContact O-CB 3.27Å; Q478-L482 WeakPolarHBondContact O-CG 3.36Å; Q478-L482 PolarHBondContact O-N 3.32Å; L482-A486 WeakPolarHBondContact O-CB 3.46Å; L482-A486 PolarHBondContact O-N 3.36Å
483R97.8Very high97Very high162 Ų16299.1 Ų99.161%0.61152%0.52SS*.Hα-helixtrans-65.3-49.7172-177-172.2-59.7159.43.3111.4A479 S480 R481 A486 H487A479-R483 VanDerWaalsContact O-CB 3.32Å; A479-R483 WeakPolarHBondContact O-CB 3.27Å; A479-R483 PolarHBondContact O-N 2.89Å; S480-R483 WeakPolarHBondContact O-CB 3.5Å; S480-R483 PolarHBondContact O-N 2.89Å; R481-R483 PolarHBondContact O-N 3.06Å; R483-A486 PolarHBondContact O-N 2.84Å; R483-H487 PolarHBondContact O-CD2 3.17Å; R483-H487 PolarHBondContact O-N 3.48Å
484E97.9Very high97.3Very high145 Ų14599.8 Ų99.868%0.67852%0.524SS*.Hα-helixtrans-62.9-42.8178.9-175.1169.2-144.400111.9S480 R481 H487 S488S480-E484 PolarHBondContact O-N 2.91Å; R481-E484 PolarHBondContact O-N 3.4Å; R481-E484 VanDerWaalsContact O-N 3.14Å; E484-H487 PolarHBondContact O-N 2.88Å; E484-S488 WeakPolarHBondContact O-CB 3.35Å; E484-S488 PolarHBondContact O-N 2.94Å
485E97.7Very high97.5Very high122 Ų12297.8 Ų97.857%0.5752%0.523SS*.Hα-helixtrans-60.8-46.9174.3-175.9174.4-167.200111.8R481 H487 S488 M489R481-E485 VanDerWaalsContact O-CB 3.31Å; R481-E485 WeakPolarHBondContact O-CB 3.43Å; R481-E485 PolarHBondContact O-N 3.32Å; E485-H487 PolarHBondContact O-N 3.49Å; E485-S488 PolarHBondContact O-N 2.9Å; E485-M489 WeakPolarHBondContact O-CB 3.39Å; E485-M489 PolarHBondContact O-N 2.87Å
486A98Very high97.7Very high53 Ų53100.5 Ų100.544%0.43853%0.526SS..Hα-helixtrans-63.1-39.1176.400000112.8L482 R483 G490L482-A486 WeakPolarHBondContact O-CB 3.46Å; L482-A486 PolarHBondContact O-N 3.36Å; R483-A486 PolarHBondContact O-N 2.84Å; A486-G490 PolarHBondContact O-N 2.89Å
487H98.1Very high97.9Very high142 Ų14298.4 Ų98.466%0.65752%0.519SS*.Hα-helixtrans-66.5-41.2173.2-83.8-72.6000112.3R483 E484 E485 S491R483-H487 PolarHBondContact O-CD2 3.17Å; R483-H487 PolarHBondContact O-N 3.48Å; E484-H487 PolarHBondContact O-N 2.88Å; E485-H487 PolarHBondContact O-N 3.49Å; H487-S491 WeakPolarHBondContact O-CB 3.41Å; H487-S491 PolarHBondContact O-N 3.48Å
488S98.1Very high98Very high65 Ų6595 Ų9546%0.45551%0.511SS..Hα-helixtrans-63.3-53.3177.5-173.70000111.5E484 E485 G490 S491 I492E484-S488 WeakPolarHBondContact O-CB 3.35Å; E484-S488 PolarHBondContact O-N 2.94Å; E485-S488 PolarHBondContact O-N 2.9Å; S488-G490 VanDerWaalsContact C-N 3.34Å; S488-G490 PolarHBondContact O-N 2.98Å; S488-S491 WeakPolarHBondContact O-CB 3.46Å; S488-S491 PolarHBondContact O-N 3.05Å; S488-S491 VanDerWaalsContact O-N 3.12Å; S488-I492 WeakPolarHBondContact O-CG1 3.47Å; S488-I492 PolarHBondContact O-N 3.45Å
489M98Very high98Very high129 Ų12995.5 Ų95.564%0.63552%0.519SS*.Hα-helixtrans-58-43.4176.1178.3175.857.400112E485 S491 I492 C493E485-M489 WeakPolarHBondContact O-CB 3.39Å; E485-M489 PolarHBondContact O-N 2.87Å; M489-S491 VanDerWaalsContact C-N 3.34Å; M489-S491 PolarHBondContact O-N 3.39Å; M489-I492 PolarHBondContact O-N 2.85Å; M489-C493 VanDerWaalsContact O-CB 3.31Å; M489-C493 WeakPolarHBondContact O-CB 3.45Å; M489-C493 PolarHBondContact O-N 3Å
490G98.3Very high98.1Very high41 Ų4198.5 Ų98.542%0.42353%0.525SS..Hα-helixtrans-62.8-38.2175.900000113.2A486 S488 M494A486-G490 PolarHBondContact O-N 2.89Å; S488-G490 VanDerWaalsContact C-N 3.34Å; S488-G490 PolarHBondContact O-N 2.98Å; G490-M494 VanDerWaalsContact O-CB 3.22Å; G490-M494 WeakPolarHBondContact O-CB 3.43Å; G490-M494 PolarHBondContact O-N 3.19Å
491S97.9Very high98.2Very high85 Ų85100.2 Ų100.259%0.59453%0.529SS*.Hα-helixtrans-66.5-45.3175.8-170.60000112.1H487 S488 M489 M494 S495H487-S491 WeakPolarHBondContact O-CB 3.41Å; H487-S491 PolarHBondContact O-N 3.48Å; S488-S491 WeakPolarHBondContact O-CB 3.46Å; S488-S491 PolarHBondContact O-N 3.05Å; S488-S491 VanDerWaalsContact O-N 3.12Å; M489-S491 VanDerWaalsContact C-N 3.34Å; M489-S491 PolarHBondContact O-N 3.39Å; S491-M494 PolarHBondContact O-N 2.98Å; S491-S495 WeakPolarHBondContact O-CB 3.46Å; S491-S495 PolarHBondContact O-N 3.28Å
492I98Very high98.2Very high89 Ų8999.1 Ų99.146%0.45653%0.529SS..Hα-helixtrans-60.9-55.1177.4-66.9163.7000110.1S488 M489 M494 S495 E496S488-I492 WeakPolarHBondContact O-CG1 3.47Å; S488-I492 PolarHBondContact O-N 3.45Å; M489-I492 PolarHBondContact O-N 2.85Å; I492-M494 VanDerWaalsContact C-N 3.3Å; I492-M494 PolarHBondContact O-N 3.18Å; I492-S495 WeakPolarHBondContact O-CA 3.27Å; I492-S495 VanDerWaalsContact O-CB 3.28Å; I492-S495 WeakPolarHBondContact O-CB 3.37Å; I492-S495 PolarHBondContact O-N 2.67Å; I492-E496 HydrophobicContact CG2-CG 4.46Å; I492-E496 WeakPolarHBondContact O-CG 3.31Å; I492-E496 PolarHBondContact O-N 3.35Å
493C98.3Very high98.2Very high60 Ų6099.1 Ų99.141%0.40553%0.53SS..Hα-helixtrans-59.3-39-180177.90000112.3M489 S495 E496 N497M489-C493 VanDerWaalsContact O-CB 3.31Å; M489-C493 WeakPolarHBondContact O-CB 3.45Å; M489-C493 PolarHBondContact O-N 3Å; C493-S495 PolarHBondContact O-N 3.49Å; C493-E496 PolarHBondContact O-N 3.39Å; C493-N497 WeakPolarHBondContact O-CB 3.46Å; C493-N497 PolarHBondContact O-N 3.18Å; C493-N497 PolarHBondContact O-ND2 3.01Å; C493-N497 PolarHBondContact SG-ND2 2.78Å; C493-N497 VanDerWaalsContact SG-ND2 3.44Å
494M98.1Very high98.3Very high122 Ų12295.2 Ų95.260%0.60152%0.521SS*.Hα-helixtrans-65.2-37.7174.5-173.358.358.200112.3G490 S491 I492 C498G490-M494 VanDerWaalsContact O-CB 3.22Å; G490-M494 WeakPolarHBondContact O-CB 3.43Å; G490-M494 PolarHBondContact O-N 3.19Å; S491-M494 PolarHBondContact O-N 2.98Å; I492-M494 VanDerWaalsContact C-N 3.3Å; I492-M494 PolarHBondContact O-N 3.18Å; M494-C498 VanDerWaalsContact O-CB 3.29Å; M494-C498 WeakPolarHBondContact O-CB 3.41Å; M494-C498 PolarHBondContact O-N 3.48Å; M494-C498 PolarHBondContact O-SG 3.35Å
495S98.4Very high98.3Very high73 Ų7395.5 Ų95.551%0.5152%0.515SS..Hα-helixtrans-64.9-45.6175.4-167.40000111.8S491 I492 C493 C498 T499S491-S495 WeakPolarHBondContact O-CB 3.46Å; S491-S495 PolarHBondContact O-N 3.28Å; I492-S495 WeakPolarHBondContact O-CA 3.27Å; I492-S495 VanDerWaalsContact O-CB 3.28Å; I492-S495 WeakPolarHBondContact O-CB 3.37Å; I492-S495 PolarHBondContact O-N 2.67Å; C493-S495 PolarHBondContact O-N 3.49Å; S495-C498 CarbonylContact O-C 3.59Å; S495-C498 WeakPolarHBondContact O-CA 3.26Å; S495-C498 WeakPolarHBondContact O-CB 3.21Å; S495-C498 PolarHBondContact O-N 3.17Å; S495-C498 VanDerWaalsContact O-N 3.1Å; S495-T499 PolarHBondContact O-N 2.95Å; S495-T499 PolarHBondContact O-OG1 3.17Å
496E98.1Very high98.3Very high114 Ų11493 Ų9353%0.53351%0.511SS..Hα-helixtrans-62.6-48.5178.1-68.5167.8156.300111.8I492 C493 C498 T499 E500I492-E496 HydrophobicContact CG2-CG 4.46Å; I492-E496 WeakPolarHBondContact O-CG 3.31Å; I492-E496 PolarHBondContact O-N 3.35Å; C493-E496 PolarHBondContact O-N 3.39Å; E496-C498 PolarHBondContact O-N 3.17Å; E496-T499 PolarHBondContact O-N 3.4Å; E496-T499 VanDerWaalsContact O-N 3.11Å; E496-T499 PolarHBondContact O-OG1 3.31Å; E496-E500 PolarHBondContact O-N 3.46Å
497N98.3Very high98.4Very high87 Ų8795.2 Ų95.247%0.46552%0.515SS..Hα-helixtrans-57.2-36.6172-82.7-91.3000111.5C493 L501C493-N497 WeakPolarHBondContact O-CB 3.46Å; C493-N497 PolarHBondContact O-N 3.18Å; C493-N497 PolarHBondContact O-ND2 3.01Å; C493-N497 PolarHBondContact SG-ND2 2.78Å; C493-N497 VanDerWaalsContact SG-ND2 3.44Å; N497-L501 WeakPolarHBondContact O-CB 3.46Å; N497-L501 PolarHBondContact O-N 3.47Å
498C98.4Very high98.4Very high58 Ų5892.4 Ų92.439%0.39251%0.508SS..Hα-helixtrans-73.6-27177.8-76.20000114.3M494 S495 E496 K502M494-C498 VanDerWaalsContact O-CB 3.29Å; M494-C498 WeakPolarHBondContact O-CB 3.41Å; M494-C498 PolarHBondContact O-N 3.48Å; M494-C498 PolarHBondContact O-SG 3.35Å; S495-C498 CarbonylContact O-C 3.59Å; S495-C498 WeakPolarHBondContact O-CA 3.26Å; S495-C498 WeakPolarHBondContact O-CB 3.21Å; S495-C498 PolarHBondContact O-N 3.17Å; S495-C498 VanDerWaalsContact O-N 3.1Å; E496-C498 PolarHBondContact O-N 3.17Å; C498-K502 VanDerWaalsContact O-CD 3.25Å; C498-K502 WeakPolarHBondContact O-CD 3.26Å; C498-K502 WeakPolarHBondContact O-CG 3.41Å
499T98.6Very high98.4Very high84 Ų8495.9 Ų95.952%0.51551%0.511SS..Hα-helixtrans-82.9-44174.754.60000111.1S495 E496 L501 K502 N503S495-T499 PolarHBondContact O-N 2.95Å; S495-T499 PolarHBondContact O-OG1 3.17Å; E496-T499 PolarHBondContact O-N 3.4Å; E496-T499 VanDerWaalsContact O-N 3.11Å; E496-T499 PolarHBondContact O-OG1 3.31Å; T499-L501 PolarHBondContact O-N 3.02Å; T499-K502 WeakPolarHBondContact O-CB 3.39Å; T499-K502 PolarHBondContact O-N 3.27Å; T499-K502 VanDerWaalsContact O-N 3.13Å; T499-N503 PolarHBondContact O-N 3.48Å
500E98.4Very high98.5Very high114 Ų11493.6 Ų93.653%0.53350%0.504SS..Hα-helixtrans-59.4-48.1174.6-176.3174.8-150.500111.2E496 K502 N503 L504E496-E500 PolarHBondContact O-N 3.46Å; E500-K502 PolarHBondContact O-N 3.35Å; E500-K502 VanDerWaalsContact O-N 3.16Å; E500-N503 CarbonylContact O-C 3.57Å; E500-N503 WeakPolarHBondContact O-CA 3.43Å; E500-N503 WeakPolarHBondContact O-CB 3.3Å; E500-N503 PolarHBondContact O-N 2.94Å; E500-L504 HydrophobicContact CG-CD1 3.9Å; E500-L504 HydrophobicContact CG-CG 4.16Å; E500-L504 WeakPolarHBondContact O-CG 3.32Å; E500-L504 PolarHBondContact O-N 2.73Å
501L98.8Very high98.5Very high87 Ų8794.9 Ų94.946%0.45551%0.506SS..Hα-helixtrans-68.7-14.3179.1-166.466.1000113.3N497 T499 R505N497-L501 WeakPolarHBondContact O-CB 3.46Å; N497-L501 PolarHBondContact O-N 3.47Å; T499-L501 PolarHBondContact O-N 3.02Å; L501-R505 WeakPolarHBondContact O-CD 3.34Å; L501-R505 VanDerWaalsContact O-CG 3.22Å; L501-R505 WeakPolarHBondContact O-CG 3.4Å; L501-R505 PolarHBondContact O-NH1 2.84Å
502K98.6Very high98.5Very high140 Ų14095.1 Ų95.161%0.60950%0.498SS*.Hα-helixtrans-81.2-43.2165.8-74.3167.1-171.4171.30110.9C498 T499 E500 R505 S506C498-K502 VanDerWaalsContact O-CD 3.25Å; C498-K502 WeakPolarHBondContact O-CD 3.26Å; C498-K502 WeakPolarHBondContact O-CG 3.41Å; T499-K502 WeakPolarHBondContact O-CB 3.39Å; T499-K502 PolarHBondContact O-N 3.27Å; T499-K502 VanDerWaalsContact O-N 3.13Å; E500-K502 PolarHBondContact O-N 3.35Å; E500-K502 VanDerWaalsContact O-N 3.16Å; K502-R505 PolarHBondContact O-N 3.08Å; K502-S506 PolarHBondContact O-N 3.06Å
503N98.5Very high98.5Very high110 Ų11094.1 Ų94.159%0.58849%0.493SS*.Hα-helixtrans-60.8-48.5177.1-170.227000111.8T499 E500 R505 S506 L507T499-N503 PolarHBondContact O-N 3.48Å; E500-N503 CarbonylContact O-C 3.57Å; E500-N503 WeakPolarHBondContact O-CA 3.43Å; E500-N503 WeakPolarHBondContact O-CB 3.3Å; E500-N503 PolarHBondContact O-N 2.94Å; N503-R505 PolarHBondContact O-N 3.35Å; N503-S506 WeakPolarHBondContact O-CA 3.35Å; N503-S506 VanDerWaalsContact O-CB 3.3Å; N503-S506 WeakPolarHBondContact O-CB 3.43Å; N503-S506 PolarHBondContact O-N 2.92Å; N503-S506 VanDerWaalsContact O-N 3.08Å; N503-L507 PolarHBondContact O-N 3.16Å
504L98.8Very high98.6Very high80 Ų8095.9 Ų95.942%0.41950%0.495SS..Hα-helixtrans-60-41.3177.3-68.3174000112.4E500 L507 V508E500-L504 HydrophobicContact CG-CD1 3.9Å; E500-L504 HydrophobicContact CG-CG 4.16Å; E500-L504 WeakPolarHBondContact O-CG 3.32Å; E500-L504 PolarHBondContact O-N 2.73Å; L504-L507 PolarHBondContact O-N 2.93Å; L504-V508 WeakPolarHBondContact O-CG2 3.28Å; L504-V508 PolarHBondContact O-N 3.1Å
505R98.6Very high98.6Very high151 Ų15192.6 Ų92.657%0.5749%0.487SS*.Hα-helixtrans-63.6-39.9173.3-74.5177.4-171.8118.5-7.5112.4L501 K502 N503 R509L501-R505 WeakPolarHBondContact O-CD 3.34Å; L501-R505 VanDerWaalsContact O-CG 3.22Å; L501-R505 WeakPolarHBondContact O-CG 3.4Å; L501-R505 PolarHBondContact O-NH1 2.84Å; K502-R505 PolarHBondContact O-N 3.08Å; N503-R505 PolarHBondContact O-N 3.35Å; R505-R509 WeakPolarHBondContact O-CB 3.45Å; R505-R509 PolarHBondContact O-N 3.47Å
506S98.6Very high98.6Very high69 Ų6992.4 Ų92.448%0.48348%0.483SS..Hα-helixtrans-61.6-46.7174.9-168.90000111.1K502 N503 R509 V510K502-S506 PolarHBondContact O-N 3.06Å; N503-S506 WeakPolarHBondContact O-CA 3.35Å; N503-S506 VanDerWaalsContact O-CB 3.3Å; N503-S506 WeakPolarHBondContact O-CB 3.43Å; N503-S506 PolarHBondContact O-N 2.92Å; N503-S506 VanDerWaalsContact O-N 3.08Å; S506-R509 PolarHBondContact O-N 3.24Å; S506-V510 WeakPolarHBondContact O-CG2 3.34Å; S506-V510 PolarHBondContact O-N 2.94Å
507L98.8Very high98.6Very high100 Ų10091.8 Ų91.852%0.52448%0.483SS..Hα-helixtrans-61.8-47.3178.3-176.560.8000112N503 L504 R509 V510 C511N503-L507 PolarHBondContact O-N 3.16Å; L504-L507 PolarHBondContact O-N 2.93Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R509 PolarHBondContact O-N 3.24Å; L507-V510 PolarHBondContact O-N 3.26Å; L507-C511 PolarHBondContact O-N 3.48Å; L507-C511 PolarHBondContact O-SG 2.72Å; L507-C511 VanDerWaalsContact O-SG 3.33Å
508V98.8Very high98.6Very high82 Ų8294.2 Ų94.250%0.49749%0.485SS..Hα-helixtrans-56.6-45.9173.7169.80000110.8L504 V510 C511 E512L504-V508 WeakPolarHBondContact O-CG2 3.28Å; L504-V508 PolarHBondContact O-N 3.1Å; V508-V510 VanDerWaalsContact C-N 3.32Å; V508-V510 PolarHBondContact O-N 2.78Å; V508-C511 WeakPolarHBondContact O-CB 3.33Å; V508-C511 PolarHBondContact O-N 3.06Å; V508-C511 VanDerWaalsContact O-N 3.12Å; V508-E512 HydrophobicContact CG1-CG 4.49Å; V508-E512 WeakPolarHBondContact O-CG 3.27Å; V508-E512 PolarHBondContact O-N 3.2Å
509R98.6Very high98.6Very high138 Ų13897.2 Ų97.252%0.52149%0.493SS..Hα-helixtrans-62.4-37.1178.5-175.964.2-163.6135.24.8112.8R505 S506 L507 E512 I513R505-R509 WeakPolarHBondContact O-CB 3.45Å; R505-R509 PolarHBondContact O-N 3.47Å; S506-R509 PolarHBondContact O-N 3.24Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R509 PolarHBondContact O-N 3.24Å; R509-E512 VanDerWaalsContact CD-OE2 3.31Å; R509-E512 WeakPolarHBondContact CD-OE2 3.47Å; R509-E512 IonicContact CZ-OE2 3.73Å; R509-E512 IonicContact NE-OE2 3.92Å; R509-E512 IonicContact NH1-OE2 3.92Å; R509-E512 PolarHBondContact NH1-OE2 3.47Å; R509-I513 HydrophobicContact CG-CD1 4.22Å; R509-I513 WeakPolarHBondContact O-CD1 3.44Å; R509-I513 VanDerWaalsContact O-CG1 3.28Å; R509-I513 WeakPolarHBondContact O-CG1 3.43Å; R509-I513 PolarHBondContact O-N 2.92Å
510V98.7Very high98.6Very high81 Ų8198.9 Ų98.949%0.49150%0.496SS..Hα-helixtrans-66.7-42.7173.1170.80000110.9S506 L507 V508 I513 Q514S506-V510 WeakPolarHBondContact O-CG2 3.34Å; S506-V510 PolarHBondContact O-N 2.94Å; L507-V510 PolarHBondContact O-N 3.26Å; V508-V510 VanDerWaalsContact C-N 3.32Å; V508-V510 PolarHBondContact O-N 2.78Å; V510-I513 PolarHBondContact O-N 2.98Å; V510-Q514 WeakPolarHBondContact O-CB 3.25Å; V510-Q514 PolarHBondContact O-N 3.35Å
511C98.6Very high98.6Very high69 Ų69102.1 Ų102.147%0.46650%0.503SS..Hα-helixtrans-61.8-42.1176.1-68.40000112.5L507 V508 Q514 A515L507-C511 PolarHBondContact O-N 3.48Å; L507-C511 PolarHBondContact O-SG 2.72Å; L507-C511 VanDerWaalsContact O-SG 3.33Å; V508-C511 WeakPolarHBondContact O-CB 3.33Å; V508-C511 PolarHBondContact O-N 3.06Å; V508-C511 VanDerWaalsContact O-N 3.12Å; C511-Q514 PolarHBondContact O-N 2.87Å; C511-A515 WeakPolarHBondContact O-CB 3.26Å; C511-A515 PolarHBondContact O-N 3.1Å
512E98.6Very high98.6Very high90 Ų90102 Ų10242%0.42150%0.502SS..Hα-helixtrans-57.4-50.8173.4-71.7169.4-175.500111.9V508 R509 Q514 A515 T516V508-E512 HydrophobicContact CG1-CG 4.49Å; V508-E512 WeakPolarHBondContact O-CG 3.27Å; V508-E512 PolarHBondContact O-N 3.2Å; R509-E512 VanDerWaalsContact CD-OE2 3.31Å; R509-E512 WeakPolarHBondContact CD-OE2 3.47Å; R509-E512 IonicContact CZ-OE2 3.73Å; R509-E512 IonicContact NE-OE2 3.92Å; R509-E512 IonicContact NH1-OE2 3.92Å; R509-E512 PolarHBondContact NH1-OE2 3.47Å; E512-Q514 VanDerWaalsContact C-N 3.29Å; E512-Q514 PolarHBondContact O-N 2.92Å; E512-A515 WeakPolarHBondContact O-CB 3.36Å; E512-A515 PolarHBondContact O-N 3.5Å; E512-A515 VanDerWaalsContact O-N 3.13Å; E512-T516 PolarHBondContact O-N 3.11Å; E512-T516 PolarHBondContact O-OG1 3.45Å
513I98.8Very high98.6Very high68 Ų6899.9 Ų99.935%0.34950%0.497SS..Hα-helixtrans-62.2-39.8179-67164.9000110.4R509 V510 A515 T516 L517R509-I513 HydrophobicContact CG-CD1 4.22Å; R509-I513 WeakPolarHBondContact O-CD1 3.44Å; R509-I513 VanDerWaalsContact O-CG1 3.28Å; R509-I513 WeakPolarHBondContact O-CG1 3.43Å; R509-I513 PolarHBondContact O-N 2.92Å; V510-I513 PolarHBondContact O-N 2.98Å; I513-A515 VanDerWaalsContact C-N 3.3Å; I513-A515 PolarHBondContact O-N 3.41Å; I513-T516 PolarHBondContact O-OG1 2.88Å; I513-L517 HydrophobicContact CG2-CD1 3.89Å; I513-L517 HydrophobicContact CG2-CG 4.45Å; I513-L517 WeakPolarHBondContact O-CB 3.45Å; I513-L517 VanDerWaalsContact O-CG 3.26Å; I513-L517 WeakPolarHBondContact O-CG 3.28Å; I513-L517 PolarHBondContact O-N 3.05Å
514Q98.6Very high98.6Very high97 Ų97100.6 Ų100.645%0.45350%0.495SS..Hα-helixtrans-71.4-24.1177.6-150.8-169.453.800112.7V510 C511 E512 R518V510-Q514 WeakPolarHBondContact O-CB 3.25Å; V510-Q514 PolarHBondContact O-N 3.35Å; C511-Q514 PolarHBondContact O-N 2.87Å; E512-Q514 VanDerWaalsContact C-N 3.29Å; E512-Q514 PolarHBondContact O-N 2.92Å; Q514-R518 VanDerWaalsContact CD-NH1 3.33Å; Q514-R518 VanDerWaalsContact CD-NH2 3.31Å; Q514-R518 VanDerWaalsContact CG-NH1 3.33Å; Q514-R518 VanDerWaalsContact O-CG 3.27Å; Q514-R518 WeakPolarHBondContact O-CG 3.34Å; Q514-R518 PolarHBondContact O-N 3.25Å; Q514-R518 PolarHBondContact O-NH1 2.97Å
515A98.3Very high98.6Very high52 Ų52100.5 Ų100.543%0.4349%0.494SS..Hα-helixtrans-73.7-49.7172.900000111.2C511 E512 I513 L517 R518 E519C511-A515 WeakPolarHBondContact O-CB 3.26Å; C511-A515 PolarHBondContact O-N 3.1Å; E512-A515 WeakPolarHBondContact O-CB 3.36Å; E512-A515 PolarHBondContact O-N 3.5Å; E512-A515 VanDerWaalsContact O-N 3.13Å; I513-A515 VanDerWaalsContact C-N 3.3Å; I513-A515 PolarHBondContact O-N 3.41Å; A515-L517 PolarHBondContact O-N 3.28Å; A515-R518 WeakPolarHBondContact O-CB 3.39Å; A515-R518 PolarHBondContact O-N 3.29Å; A515-R518 VanDerWaalsContact O-N 3.13Å; A515-E519 PolarHBondContact O-N 3.1Å
516T98.7Very high98.6Very high70 Ų70101.3 Ų101.343%0.42950%0.497SS..Hα-helixtrans-65.2-36.7179.757.90000112.5E512 I513 R518 E519 Q520E512-T516 PolarHBondContact O-N 3.11Å; E512-T516 PolarHBondContact O-OG1 3.45Å; I513-T516 PolarHBondContact O-OG1 2.88Å; T516-R518 VanDerWaalsContact C-N 3.35Å; T516-R518 PolarHBondContact O-N 3.35Å; T516-E519 PolarHBondContact O-N 3.2Å; T516-Q520 WeakPolarHBondContact O-CB 3.15Å; T516-Q520 VanDerWaalsContact O-CG 3.31Å; T516-Q520 WeakPolarHBondContact O-CG 3.33Å; T516-Q520 PolarHBondContact O-N 2.95Å
517L98.8Very high98.6Very high101 Ų101102.5 Ų102.553%0.52950%0.495SS..Hα-helixtrans-64.4-35.6172.8-72.7171.5000112.9I513 A515 R521I513-L517 HydrophobicContact CG2-CD1 3.89Å; I513-L517 HydrophobicContact CG2-CG 4.45Å; I513-L517 WeakPolarHBondContact O-CB 3.45Å; I513-L517 VanDerWaalsContact O-CG 3.26Å; I513-L517 WeakPolarHBondContact O-CG 3.28Å; I513-L517 PolarHBondContact O-N 3.05Å; A515-L517 PolarHBondContact O-N 3.28Å; L517-R521 WeakPolarHBondContact O-CB 3.31Å; L517-R521 PolarHBondContact O-N 3.43Å; L517-R521 VanDerWaalsContact O-N 3.1Å
518R98.6Very high98.5Very high138 Ų138101.6 Ų101.652%0.52149%0.488SS..Hα-helixtrans-67.5-43.2172.9-77.9178.3-175.3105.7-4.3111.3Q514 A515 T516 R521 I522Q514-R518 VanDerWaalsContact CD-NH1 3.33Å; Q514-R518 VanDerWaalsContact CD-NH2 3.31Å; Q514-R518 VanDerWaalsContact CG-NH1 3.33Å; Q514-R518 VanDerWaalsContact O-CG 3.27Å; Q514-R518 WeakPolarHBondContact O-CG 3.34Å; Q514-R518 PolarHBondContact O-N 3.25Å; Q514-R518 PolarHBondContact O-NH1 2.97Å; A515-R518 WeakPolarHBondContact O-CB 3.39Å; A515-R518 PolarHBondContact O-N 3.29Å; A515-R518 VanDerWaalsContact O-N 3.13Å; T516-R518 VanDerWaalsContact C-N 3.35Å; T516-R518 PolarHBondContact O-N 3.35Å; R518-R521 PolarHBondContact O-N 3.32Å; R518-I522 WeakPolarHBondContact O-CG1 3.42Å; R518-I522 PolarHBondContact O-N 2.98Å
519E98.5Very high98.4Very high120 Ų120102 Ų10256%0.56149%0.487SS*.Hα-helixtrans-61.8-47.5177.4-177171.1-149.700111.7A515 T516 R521 I522 L523A515-E519 PolarHBondContact O-N 3.1Å; T516-E519 PolarHBondContact O-N 3.2Å; E519-R521 VanDerWaalsContact C-N 3.3Å; E519-R521 PolarHBondContact O-N 3.22Å; E519-I522 PolarHBondContact O-N 2.82Å; E519-I522 VanDerWaalsContact O-N 3.08Å; E519-L523 HydrophobicContact CG-CD1 4.28Å; E519-L523 WeakPolarHBondContact O-CG 3.5Å; E519-L523 PolarHBondContact O-N 3.44Å
520Q98.6Very high98.4Very high120 Ų120102 Ų10256%0.56149%0.491SS*.Hα-helixtrans-56.5-42.6173.6-73.6173.8-5.900112.1T516 L523 F524T516-Q520 WeakPolarHBondContact O-CB 3.15Å; T516-Q520 VanDerWaalsContact O-CG 3.31Å; T516-Q520 WeakPolarHBondContact O-CG 3.33Å; T516-Q520 PolarHBondContact O-N 2.95Å; Q520-L523 PolarHBondContact O-N 3.17Å; Q520-F524 WeakPolarHBondContact O-CB 3.49Å; Q520-F524 PolarHBondContact O-N 3.31Å
521R98.6Very high98.3Very high181 Ų181102.8 Ų102.868%0.68349%0.489SS*.Hα-helixtrans-64.3-38.6175.4-173175.8-179.2176.50.7112.5L517 R518 E519 L525L517-R521 WeakPolarHBondContact O-CB 3.31Å; L517-R521 PolarHBondContact O-N 3.43Å; L517-R521 VanDerWaalsContact O-N 3.1Å; R518-R521 PolarHBondContact O-N 3.32Å; E519-R521 VanDerWaalsContact C-N 3.3Å; E519-R521 PolarHBondContact O-N 3.22Å; R521-L525 HydrophobicContact CG-CD1 4.14Å; R521-L525 WeakPolarHBondContact O-CB 3.48Å; R521-L525 VanDerWaalsContact O-CG 3.27Å; R521-L525 WeakPolarHBondContact O-CG 3.38Å; R521-L525 PolarHBondContact O-N 3.36Å
522I98.6Very high98.1Very high84 Ų84105 Ų10543%0.43150%0.496SS..Hα-helixtrans-66.2-42.5175.7-69.8162.9000110.8R518 E519 L525 R526R518-I522 WeakPolarHBondContact O-CG1 3.42Å; R518-I522 PolarHBondContact O-N 2.98Å; E519-I522 PolarHBondContact O-N 2.82Å; E519-I522 VanDerWaalsContact O-N 3.08Å; I522-L525 PolarHBondContact O-N 3.41Å; I522-R526 WeakPolarHBondContact O-CB 3.47Å; I522-R526 VanDerWaalsContact O-CG 3.28Å; I522-R526 WeakPolarHBondContact O-CG 3.5Å; I522-R526 PolarHBondContact O-N 3.32Å
523L98.4Very high98Very high96 Ų96105.5 Ų105.550%0.50350%0.498SS..Hα-helixtrans-63.9-43.7176.7-68.7172.1000111.8E519 Q520 R526 Q527E519-L523 HydrophobicContact CG-CD1 4.28Å; E519-L523 WeakPolarHBondContact O-CG 3.5Å; E519-L523 PolarHBondContact O-N 3.44Å; Q520-L523 PolarHBondContact O-N 3.17Å; L523-R526 PolarHBondContact O-N 3.18Å; L523-Q527 PolarHBondContact O-N 2.9Å
524F98.5Very high97.8Very high125 Ų125108.7 Ų108.755%0.54851%0.509SS..Hα-helixtrans-59.5-48.8174.7178.2-99.7000112.1Q520 R526 Q527 Q528Q520-F524 WeakPolarHBondContact O-CB 3.49Å; Q520-F524 PolarHBondContact O-N 3.31Å; F524-R526 VanDerWaalsContact C-N 3.35Å; F524-R526 PolarHBondContact O-N 3.31Å; F524-Q527 PolarHBondContact O-N 3.21Å; F524-Q527 VanDerWaalsContact O-N 3.17Å; F524-Q528 HydrophobicContact CD1-CG 4.43Å; F524-Q528 HydrophobicContact CE1-CG 4.03Å; F524-Q528 HydrophobicContact CE2-CG 4.5Å; F524-Q528 HydrophobicContact CZ-CG 4.06Å; F524-Q528 PolarHBondContact O-N 3.43Å
525L98.6Very high97.5Very high79 Ų79109 Ų10941%0.41451%0.513SS..Hα-helixtrans-63.3-38.5178-70.9169.5000112.3R521 I522 Q527 Q528 I529R521-L525 HydrophobicContact CG-CD1 4.14Å; R521-L525 WeakPolarHBondContact O-CB 3.48Å; R521-L525 VanDerWaalsContact O-CG 3.27Å; R521-L525 WeakPolarHBondContact O-CG 3.38Å; R521-L525 PolarHBondContact O-N 3.36Å; I522-L525 PolarHBondContact O-N 3.41Å; L525-Q527 VanDerWaalsContact C-N 3.33Å; L525-Q527 PolarHBondContact O-N 3.14Å; L525-Q528 PolarHBondContact O-N 3.35Å; L525-I529 WeakPolarHBondContact O-CD1 3.27Å; L525-I529 VanDerWaalsContact O-CG1 3.27Å; L525-I529 WeakPolarHBondContact O-CG1 3.49Å; L525-I529 PolarHBondContact O-N 2.79Å
526R98.1Very high97.2Very high168 Ų168112.7 Ų112.763%0.63452%0.52SS*.Hα-helixtrans-61.9-39.2173.4-76.6172174.9176.8-0.9112.4I522 L523 F524 K530I522-R526 WeakPolarHBondContact O-CB 3.47Å; I522-R526 VanDerWaalsContact O-CG 3.28Å; I522-R526 WeakPolarHBondContact O-CG 3.5Å; I522-R526 PolarHBondContact O-N 3.32Å; L523-R526 PolarHBondContact O-N 3.18Å; F524-R526 VanDerWaalsContact C-N 3.35Å; F524-R526 PolarHBondContact O-N 3.31Å; R526-K530 WeakPolarHBondContact O-CB 3.47Å; R526-K530 PolarHBondContact O-N 3.15Å; R526-K530 VanDerWaalsContact O-N 3.1Å
527Q98.3Very high96.6Very high93 Ų93113.2 Ų113.244%0.43552%0.52SS..Hα-helixtrans-66.7-44.5175.7-179.359.723.300111.5L523 F524 L525 I529 K530 E531L523-Q527 PolarHBondContact O-N 2.9Å; F524-Q527 PolarHBondContact O-N 3.21Å; F524-Q527 VanDerWaalsContact O-N 3.17Å; L525-Q527 VanDerWaalsContact C-N 3.33Å; L525-Q527 PolarHBondContact O-N 3.14Å; Q527-I529 VanDerWaalsContact C-N 3.35Å; Q527-I529 PolarHBondContact O-N 3.21Å; Q527-K530 PolarHBondContact O-N 2.77Å; Q527-E531 PolarHBondContact NE2-OE1 3.31Å; Q527-E531 WeakPolarHBondContact O-CG 3.41Å; Q527-E531 PolarHBondContact O-N 2.93Å
528Q97.6Very high95.8Very high81 Ų81113.3 Ų113.338%0.37952%0.518SS..Hα-helixtrans-61-41175.4-69.3-168-5600112.7F524 L525 E531 L532F524-Q528 HydrophobicContact CD1-CG 4.43Å; F524-Q528 HydrophobicContact CE1-CG 4.03Å; F524-Q528 HydrophobicContact CE2-CG 4.5Å; F524-Q528 HydrophobicContact CZ-CG 4.06Å; F524-Q528 PolarHBondContact O-N 3.43Å; L525-Q528 PolarHBondContact O-N 3.35Å; Q528-E531 PolarHBondContact O-N 3.48Å; Q528-L532 WeakPolarHBondContact O-CB 3.4Å; Q528-L532 WeakPolarHBondContact O-CG 3.45Å; Q528-L532 PolarHBondContact O-N 3.27Å
529I97.4Very high94.7Very high91 Ų91111.8 Ų111.847%0.46752%0.52SS..Hα-helixtrans-59.2-48174.4-70.7163.1000110.2L525 Q527 E531 L532 E533L525-I529 WeakPolarHBondContact O-CD1 3.27Å; L525-I529 VanDerWaalsContact O-CG1 3.27Å; L525-I529 WeakPolarHBondContact O-CG1 3.49Å; L525-I529 PolarHBondContact O-N 2.79Å; Q527-I529 VanDerWaalsContact C-N 3.35Å; Q527-I529 PolarHBondContact O-N 3.21Å; I529-E531 VanDerWaalsContact C-N 3.3Å; I529-E531 PolarHBondContact O-N 3.33Å; I529-L532 PolarHBondContact O-N 3.25Å; I529-E533 HydrophobicContact CG2-CG 4.32Å; I529-E533 WeakPolarHBondContact O-CB 3.29Å; I529-E533 WeakPolarHBondContact O-CG 3.14Å; I529-E533 PolarHBondContact O-N 3.38Å
530K97.4Very high93.5Very high138 Ų138110.1 Ų110.160%0.652%0.521SS*.Hα-helixtrans-62.4-34.4179.2-172.7178-179.6-179.40113.2R526 Q527 K534R526-K530 WeakPolarHBondContact O-CB 3.47Å; R526-K530 PolarHBondContact O-N 3.15Å; R526-K530 VanDerWaalsContact O-N 3.1Å; Q527-K530 PolarHBondContact O-N 2.77Å; K530-K534 WeakPolarHBondContact O-CB 3.36Å; K530-K534 PolarHBondContact O-N 2.88Å
531E96.6Very high91.9Very high98 Ų98113.3 Ų113.346%0.45853%0.534SS..Hα-helixtrans-70.9-43.2174.5-74.3169.6-171.300112Q527 Q528 I529 K534 L535Q527-E531 PolarHBondContact NE2-OE1 3.31Å; Q527-E531 WeakPolarHBondContact O-CG 3.41Å; Q527-E531 PolarHBondContact O-N 2.93Å; Q528-E531 PolarHBondContact O-N 3.48Å; I529-E531 VanDerWaalsContact C-N 3.3Å; I529-E531 PolarHBondContact O-N 3.33Å; E531-K534 WeakPolarHBondContact O-CB 3.35Å; E531-K534 PolarHBondContact O-N 2.92Å; E531-L535 WeakPolarHBondContact O-CG 3.33Å; E531-L535 PolarHBondContact O-N 3.38Å
532L95.6Very high90.1Very high116 Ų116112.2 Ų112.261%0.60754%0.538SS*.Hα-helixtrans-64.1-39.2173.8-71.1169.1000112.1Q528 I529 L535 K536Q528-L532 WeakPolarHBondContact O-CB 3.4Å; Q528-L532 WeakPolarHBondContact O-CG 3.45Å; Q528-L532 PolarHBondContact O-N 3.27Å; I529-L532 PolarHBondContact O-N 3.25Å; L532-L535 PolarHBondContact O-N 2.96Å; L532-K536 VanDerWaalsContact O-CB 3.25Å; L532-K536 WeakPolarHBondContact O-CB 3.32Å; L532-K536 PolarHBondContact O-N 3.4Å
533E95.8Very high87.7Confident99 Ų99116.9 Ų116.946%0.46357%0.57SS.*Hα-helixtrans-62.6-42.8173.3-75.6175.5156.600111.9I529 K536 N537I529-E533 HydrophobicContact CG2-CG 4.32Å; I529-E533 WeakPolarHBondContact O-CB 3.29Å; I529-E533 WeakPolarHBondContact O-CG 3.14Å; I529-E533 PolarHBondContact O-N 3.38Å; E533-K536 PolarHBondContact O-N 3.34Å; E533-N537 WeakPolarHBondContact O-CB 3.49Å; E533-N537 PolarHBondContact O-N 3.29Å; E533-N537 PolarHBondContact O-OD1 3.49Å
534K94.5Very high87.2Confident136 Ų136117.9 Ų117.959%0.59157%0.573SS**Hα-helixtrans-60.5-48174.2-175.9-173.9174.6-171.90111.3K530 E531 N537 Q538K530-K534 WeakPolarHBondContact O-CB 3.36Å; K530-K534 PolarHBondContact O-N 2.88Å; E531-K534 WeakPolarHBondContact O-CB 3.35Å; E531-K534 PolarHBondContact O-N 2.92Å; K534-N537 PolarHBondContact O-N 3.49Å; K534-Q538 WeakPolarHBondContact O-CG 3.25Å; K534-Q538 PolarHBondContact O-N 3.3Å
535L92.3Very high86.6Confident103 Ų103117.5 Ų117.554%0.53958%0.575SS.*Hα-helixtrans-64-43179.3-72.4168.6000112.3E531 L532 Q538 N539E531-L535 WeakPolarHBondContact O-CG 3.33Å; E531-L535 PolarHBondContact O-N 3.38Å; L532-L535 PolarHBondContact O-N 2.96Å; L535-Q538 PolarHBondContact O-N 2.97Å; L535-N539 PolarHBondContact O-N 3.21Å
536K92Very high85.9Confident130 Ų130119.7 Ų119.757%0.56558%0.584SS**Hα-helixtrans-57.8-48.7173.6-178.7-159.972.5-176.80110.9L532 E533 Q538 N539 S540L532-K536 VanDerWaalsContact O-CB 3.25Å; L532-K536 WeakPolarHBondContact O-CB 3.32Å; L532-K536 PolarHBondContact O-N 3.4Å; E533-K536 PolarHBondContact O-N 3.34Å; K536-Q538 VanDerWaalsContact C-N 3.35Å; K536-Q538 PolarHBondContact O-N 3.14Å; K536-N539 PolarHBondContact O-N 3.45Å; K536-S540 WeakPolarHBondContact O-CB 3.39Å; K536-S540 PolarHBondContact O-N 2.95Å
537N86.5Confident85.2Confident81 Ų81116.8 Ų116.843%0.43358%0.581SS.*Hα-helixtrans-65.3-38.6-179.9-70.412.5000111.3E533 K534 S540 F541E533-N537 WeakPolarHBondContact O-CB 3.49Å; E533-N537 PolarHBondContact O-N 3.29Å; E533-N537 PolarHBondContact O-OD1 3.49Å; K534-N537 PolarHBondContact O-N 3.49Å; N537-S540 PolarHBondContact O-N 2.84Å; N537-F541 WeakPolarHBondContact O-CD2 3.46Å; N537-F541 PolarHBondContact O-N 2.94Å
538Q82.3Confident84.4Confident102 Ų102118.3 Ų118.348%0.47759%0.59SS.*Hα-helixtrans-63-42.5173.7-73.4178.6-62.400112.4K534 L535 K536 S540 F541K534-Q538 WeakPolarHBondContact O-CG 3.25Å; K534-Q538 PolarHBondContact O-N 3.3Å; L535-Q538 PolarHBondContact O-N 2.97Å; K536-Q538 VanDerWaalsContact C-N 3.35Å; K536-Q538 PolarHBondContact O-N 3.14Å; Q538-S540 VanDerWaalsContact C-N 3.3Å; Q538-S540 PolarHBondContact O-N 3.29Å; Q538-F541 PolarHBondContact O-N 2.96Å
539N75.5Confident83.5Confident107 Ų107120.8 Ų120.857%0.57260%0.604SS**Hα-helixtrans-62.4-38.1174.1-122.6-78.4000111.8L535 K536 F541 M542L535-N539 PolarHBondContact O-N 3.21Å; K536-N539 PolarHBondContact O-N 3.45Å; N539-F541 PolarHBondContact O-N 3.12Å; N539-F541 VanDerWaalsContact O-N 3.14Å; N539-M542 PolarHBondContact O-N 3.31Å
540S73.1Confident82.5Confident84 Ų84122.9 Ų122.959%0.58761%0.614SS**THydrogen-bonded Turntrans-70.1-0.3177-167.10000115K536 N537 Q538K536-S540 WeakPolarHBondContact O-CB 3.39Å; K536-S540 PolarHBondContact O-N 2.95Å; N537-S540 PolarHBondContact O-N 2.84Å; Q538-S540 VanDerWaalsContact C-N 3.3Å; Q538-S540 PolarHBondContact O-N 3.29Å
541F65Low81.4Confident188 Ų188121.8 Ų121.883%0.82562%0.615SS**THydrogen-bonded Turntrans-107.14.1168-74.9-68.3000112.7N537 Q538 N539N537-F541 WeakPolarHBondContact O-CD2 3.46Å; N537-F541 PolarHBondContact O-N 2.94Å; Q538-F541 PolarHBondContact O-N 2.96Å; N539-F541 PolarHBondContact O-N 3.12Å; N539-F541 VanDerWaalsContact O-N 3.14Å
542M59.5Low80.1Confident158 Ų158123.8 Ų123.878%0.77863%0.628SS**  trans-110.46.9177.5-70.9177.249.500113.3N539N539-M542 PolarHBondContact O-N 3.31Å
543V49.1Very low78.7Confident181 Ų181124.5 Ų124.5100%1.09763%0.63SS**  trans-130.60178.9-175.30000108.4

Retrieved 543 of 543 residues in 71.2 ms (Link to these results)