A0A087X2B1_HUMAN Loading...

RNA binding protein fox-1 homolog 1

RNA-binding protein that regulates alternative splicing events.

AlphaFold DB , UniProt , Accession A0A087X2B1, Species HUMAN (Homo sapiens, Human), Gene RBFOX1, Length 375 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low45.5Very low229 Ų229139.9 Ų139.9100%1.12883%0.833SS**  01330-80.9171177.800108.5
2I40.3Very low45.2Very low152 Ų152142.7 Ų142.778%0.77984%0.839SS**  trans65.5124135-57.8169.5000119.1
3V48.9Very low44.9Very low131 Ų131143.5 Ų143.579%0.79484%0.835SS**  trans-103149163.2-156.80000107.8
4P55.5Low44.3Very low112 Ų112147.1 Ų147.173%0.72784%0.84SS**  -135.1136.511529.1-14.4000111.3
5A40.3Very low43.5Very low94 Ų94142.1 Ų142.178%0.77783%0.833SS**  72.3113.753.800000112.3
6A49.9Very low43.1Very low94 Ų94142.7 Ų142.778%0.77783%0.832SS**  trans-122140.9-179.800000110.4
7P58Low42.9Very low131 Ų131144.2 Ų144.285%0.85183%0.829SS**PPolyproline II helixtrans-84.5141.7-179.333-33.9000112.8
8Y41.3Very low42.8Very low236 Ų236145.6 Ų145.693%0.92583%0.827SS**PPolyproline II helixtrans-102.7162.3172-112.2-105.4000111.4
9L42.6Very low42.8Very low166 Ų166143.2 Ų143.287%0.86983%0.827SS**PPolyproline II helixtrans-84.8141.7179-64.9166.5000112.9
10P49.8Very low42.4Very low123 Ų123141.4 Ų141.480%0.79983%0.83SS**PPolyproline II helixtrans-88.8160.8149.336.3-30.9000110.5
11G37.4Very low42.3Very low71 Ų71139.4 Ų139.473%0.73283%0.83SS**  cis156.8131.5-2.900000110.3
12L42Very low42.6Very low173 Ų173132.6 Ų132.691%0.90681%0.81SS**  trans-143.8172.2-179.2-88.3174.5000111.1
13I41.4Very low43.5Very low154 Ų154130.6 Ų130.679%0.7981%0.807SS**  trans90.186.2167.8-47.6171.7000116.9
14Q36.8Very low43.2Very low193 Ų193130.8 Ų130.890%0.90280%0.804SS**  47.2131.6108.2-168.5173-4.700121.9
15G31.9Very low42.6Very low72 Ų72131.9 Ų131.974%0.74281%0.808SS**  trans176.7141.6162.900000114.7
16N36.8Very low42.8Very low152 Ų152135.8 Ų135.881%0.81381%0.813SS**  trans-121.2155-178.8-82.93.1000112.3
17Q39.6Very low42.4Very low168 Ų168135.8 Ų135.879%0.78581%0.812SS**  trans176.7112135-97.9157.26.300108.6
18E42Very low41.9Very low169 Ų169137.3 Ų137.379%0.7981%0.808SS**  74.9137.587.3-71.7166.566.300113.1
19A41.2Very low42.2Very low100 Ų100131 Ų13183%0.82680%0.796SS**  cis-132.8-155.71200000110.5
20A36.2Very low41.9Very low108 Ų108134.2 Ų134.289%0.89380%0.798SS**  cis-152.6-134.313.200000113.8
21A38.7Very low41.6Very low99 Ų99132.5 Ų132.582%0.81880%0.795SS**  trans-123.1171.5-162.100000113.6
22A43.3Very low41.6Very low86 Ų86135.1 Ų135.171%0.71180%0.802SS**  cis171-170.7-23.900000107.1
23P59.3Low41.6Very low110 Ų110131.7 Ų131.771%0.71480%0.798SS**  cis-106.2-157.2-36.923.21.7000109.1
24D43.3Very low41.4Very low136 Ų136132.6 Ų132.673%0.72780%0.799SS**  cis-157.7167.827-88.6-60.2000108.6
25T42.9Very low41.4Very low134 Ų134132 Ų13282%0.82279%0.794SS**  cis-145.8167.9-0.6-3.50000110
26M44.4Very low41.8Very low177 Ų177133 Ų13387%0.87279%0.794SS**  trans-94.1143-175.1-67.4178.9167.700116.3
27A42.3Very low42.3Very low93 Ų93131.1 Ų131.177%0.76979%0.791SS**  trans-176.9106.9135.900000108.7
28Q46.9Very low42.8Very low163 Ų163129.2 Ų129.276%0.76279%0.793SS**  72.1151.178.9-63.7-60.9-13.500114.2
29P48.4Very low42.9Very low104 Ų104129.1 Ų129.168%0.67579%0.792SS**  trans-112.5167.6-135.741.1-33.7000114.5
30Y35Very low42.8Very low234 Ų234131.2 Ų131.292%0.91879%0.79SS**  trans-122.6134.4165.9-82.1-83.4000112.3
31A43.5Very low42.7Very low87 Ų87129.6 Ų129.672%0.71978%0.784SS**  trans-130.5168.5171.900000109.1
32S38.5Very low43.2Very low126 Ų126132.1 Ų132.188%0.88178%0.782SS**  trans63.1132.9176.4680000117
33A41.1Very low43.1Very low100 Ų100134.4 Ų134.483%0.82679%0.789SS**  trans-136.8105.917100000108.8
34Q38.1Very low42.2Very low173 Ų173133.3 Ų133.381%0.80879%0.79SS**  trans-159136.5177.5-120.3171.3-19.500111.8
35F37.1Very low41.7Very low182 Ų182136.2 Ų136.280%0.79880%0.799SS**  trans66.6105.7169.2-71.9-83.7000121.2
36A40Very low41.5Very low91 Ų91140.4 Ų140.475%0.75280%0.801SS**  38.7164.5114.900000122.4
37P46.9Very low41Very low113 Ų113138.3 Ų138.373%0.73480%0.798SS**  cis-127.7-159.4-11.242.9-26.8000112.2
38P49.9Very low40.9Very low128 Ų128138 Ų13883%0.83180%0.796SS**  trans-127.9137146.436-25.4000115.1
39Q44.2Very low41Very low167 Ų167134.9 Ų134.978%0.7879%0.79SS**  trans-121.2166.4159.5-85.8-171.2-5.800106.6
40N39.5Very low40.7Very low144 Ų144138.5 Ų138.577%0.7780%0.797SS**  cis-156.4166.7-3.8-117.7-6.9000106.7
41G33.8Very low41.2Very low75 Ų75133 Ų13377%0.77379%0.791SS**  trans176.458.6176.300000118.2
42I48.3Very low41Very low152 Ų152137.5 Ų137.578%0.77980%0.796SS**  trans-81.3161.8164.356.9171.5000111
43P42.3Very low41.3Very low133 Ų133137.6 Ų137.686%0.86479%0.794SS**  -118.3160.6107.334.9-35.2000112.1
44A40.2Very low41.2Very low87 Ų87136.8 Ų136.872%0.71979%0.787SS**  trans-122.9144.7176.500000109.3
45E32.1Very low41.8Very low197 Ų197134.8 Ų134.892%0.92179%0.789SS**  trans-142143.5159.8-128.5171.1169.300112.7
46Y39.1Very low41.5Very low223 Ų223134.4 Ų134.488%0.87579%0.79SS**  trans-64.1163-164.6-94.3-115.8000116.3
47T33.2Very low41.2Very low132 Ų132139.9 Ų139.981%0.8179%0.793SS**  trans118.8121.7139.7-48.20000116.7
48A41.7Very low40.8Very low86 Ų86140 Ų14071%0.71179%0.791SS**  trans-117.5167.2148.700000107.1
49P47.7Very low40.1Very low99 Ų99137.6 Ų137.664%0.64379%0.789SS**  cis-140.6166.312.143.3-26.4000117.3
50H42.8Very low39.7Very low179 Ų179138.7 Ų138.783%0.82980%0.795SS**  trans60.8177.5164.1-55.1-54.9000116.2
51P44.7Very low39.5Very low120 Ų120137.9 Ų137.978%0.77980%0.795SS**  cis-123.8-165.3-9.142.5-26.8000114
52H39.7Very low39.7Very low181 Ų181140.5 Ų140.584%0.83880%0.796SS**  trans-72.9159.6168.8-63.1-90.1000112.7
53P44Very low39.4Very low127 Ų127139.1 Ų139.183%0.82579%0.794SS**  -141.2-176.2105.239.1-25.9000114.8
54A39.8Very low39.6Very low84 Ų84138 Ų13869%0.69479%0.787SS**  trans-87.2-176.9-176.800000114
55P50.2Low39.1Very low130 Ų130141.1 Ų141.184%0.84479%0.787SS**  -132162.996.339.3-32.5000115.4
56E30.9Very low39.3Very low174 Ų174140.5 Ų140.581%0.81378%0.784SS**  trans-80.4156172.6-50.9161.1122.700109.3
57Y34.7Very low39.2Very low207 Ų207135.3 Ų135.381%0.81278%0.775SS**  179.4157.568.3-142.9-141000104.7
58T37.2Very low39.4Very low116 Ų116137.1 Ų137.171%0.71278%0.779SS**  cis-161.81648.5-15.20000108.3
59G35.7Very low39.3Very low76 Ų76140.9 Ų140.978%0.78479%0.787SS**  trans141.9114.7160.600000115.2
60Q36.9Very low38.5Very low191 Ų191143.9 Ų143.989%0.89380%0.797SS**  trans-93.3146.7179.8-62.1163.5-85.700112
61T34Very low38.4Very low127 Ų127146.2 Ų146.278%0.77980%0.8SS**  174.9110.4120.3-72.10000112.5
62T38.5Very low38.7Very low130 Ų130145.9 Ų145.980%0.79880%0.798SS**  trans24.4123.7154.760.70000123.2
63V41.6Very low39.4Very low122 Ų122143 Ų14374%0.73980%0.795SS**  trans-73.8166.6148-127.10000110.3E65V63-E65 HydrophobicContact CG1-CB 4.4Å
64P45.9Very low38.7Very low111 Ų111141.1 Ų141.172%0.72179%0.79SS**  -127152.553.939.4-25.1000113.7
65E31.6Very low38.4Very low151 Ų151145.4 Ų145.471%0.70680%0.796SS**  68.2120.454.6-160.9171.3146.300113.7V63V63-E65 HydrophobicContact CG1-CB 4.4Å
66H35.4Very low37.4Very low185 Ų185145.2 Ų145.286%0.85679%0.793SS**  trans-115.7124.2-172.2-56-67.2000111.4
67T37Very low37.5Very low114 Ų114145.2 Ų145.270%0.69979%0.792SS**  trans-128.6124.9-179.951.10000112.9
68L36.5Very low37.5Very low169 Ų169139.3 Ų139.389%0.88578%0.782SS**  trans42.6104.2152.2-70.1159000119.1L70L68-L70 PolarHBondContact O-N 3.5Å
69N40.2Very low37.1Very low166 Ų166141 Ų14189%0.88878%0.781SS**  trans-68.7126.1162.2-81.2-7.7000111.7
70L32.2Very low37Very low162 Ų162145.6 Ų145.685%0.84878%0.782SS**  trans-149.2114167.8-165.875.1000110.2L68L68-L70 PolarHBondContact O-N 3.5Å
71Y39.3Very low36.8Very low228 Ų228141.8 Ų141.889%0.89478%0.777SS**  trans-148.6129-179.3-95.4-71.8000113.1
72P51.3Low37.1Very low113 Ų113142 Ų14273%0.73478%0.78SS**  trans-142.5180134.438.8-25.2000112.1
73P54.5Low37Very low120 Ų120140.3 Ų140.378%0.77978%0.779SS**  cis-133.2-165.2-41.838.1-20.9000112.8
74A30.5Very low36.5Very low87 Ų87142.1 Ų142.172%0.71979%0.785SS**  trans79.9151.1162.700000117.8
75Q33.2Very low35.8Very low175 Ų175142.6 Ų142.682%0.81879%0.786SS**  cis-162.6-173.4-12.3-118.2-179.915.700111.6
76T28.6Very low35.8Very low126 Ų126141.2 Ų141.277%0.77379%0.793SS**  trans78128.6174.365.80000116.8
77H32Very low35.8Very low173 Ų173136.6 Ų136.680%0.80179%0.787SS**  79.1132.457-94.8-81.3000113.6
78S35.8Very low35.6Very low84 Ų84139.8 Ų139.859%0.58779%0.794SS**  cis-153.4157.44-52.80000113.8
79E29.3Very low35.4Very low150 Ų150138.8 Ų138.870%0.70180%0.795SS**  trans61.7144.8133-82.5176.88300128
80Q32.3Very low35.2Very low173 Ų173137 Ų13781%0.80879%0.79SS**  trans81132.4144.5-75.2175.941.400122.7
81S33.7Very low35.2Very low111 Ų111135.2 Ų135.278%0.77679%0.791SS**  trans-93.6168.9172.4-40.60000111.5
82P40.3Very low35Very low132 Ų132128.1 Ų128.186%0.85779%0.787SS**  -136.5179.7102.237.9-27.3000113.8
83A35.1Very low34.1Very low94 Ų94129.5 Ų129.578%0.77779%0.793SS**  trans-108.5169.9-177.700000112.3
84D31.4Very low33.2Very low161 Ų161127.7 Ų127.786%0.86179%0.789SS**  trans-146.4168.9154.6-139.7-29.6000112.5
85T32.2Very low33.3Very low121 Ų121129 Ų12974%0.74279%0.788SS**  trans-125.2146.3-147.5-56.90000115
86S31.4Very low33.5Very low122 Ų122128.9 Ų128.985%0.85379%0.787SS**  trans-157.3135.9159.1-80.90000115.1
87A34.1Very low33.8Very low87 Ų87128.1 Ų128.172%0.71978%0.783SS**  trans-4.1123.2164.900000119.8
88Q33.4Very low34Very low182 Ų182126.7 Ų126.785%0.8578%0.781SS**  79.8117.470.1-78.8-173.3-14.400116.8
89T32Very low34Very low148 Ų148130.2 Ų130.291%0.90879%0.793SS**  -161.4168.7129.46.10000109.7
90V36.3Very low34.4Very low129 Ų129127.7 Ų127.778%0.78280%0.798SS**  trans-140.7162-150.7-147.40000114.3
91S31.8Very low34.8Very low123 Ų123123.5 Ų123.586%0.8679%0.793SS**  trans102.8126.8157.2-53.30000117.2
92G35.9Very low35.3Very low80 Ų80124.4 Ų124.483%0.82580%0.796SS**  trans16830.4-178.900000117.1
93T33.1Very low35.5Very low141 Ų141124.7 Ų124.787%0.86580%0.796SS**  trans-69.6153.6169.129.60000111.2
94A34.9Very low35.7Very low82 Ų82126.7 Ų126.768%0.67879%0.793SS**  cis-170.2-172.7-15.200000107.3
95T32.3Very low36Very low115 Ų115122.2 Ų122.271%0.70679%0.785SS**  cis-164159.38.1-19.50000109
96Q37.7Very low36.3Very low172 Ų172123.9 Ų123.980%0.80478%0.784SS**  trans67.3154158.8-67.1166.824.300116.5
97T35.1Very low36.9Very low110 Ų110123.9 Ų123.968%0.67578%0.782SS**  cis-153.6163.5-1.8-10000111.6
98D35.8Very low37.2Very low144 Ų144128 Ų12877%0.7779%0.786SS**  trans59.2121.1152.1-62.7-51.5000123.9
99D36.2Very low37.3Very low158 Ų158125.5 Ų125.585%0.84578%0.783SS**  42.1106.4129.6-145.4-82.4000121.8
100A36.9Very low37.6Very low97 Ų97126.6 Ų126.680%0.80278%0.778SS**  trans-158.7139.7144.400000110.8
101A41.3Very low38.2Very low84 Ų84126.5 Ų126.569%0.69478%0.78SS**PPolyproline II helixtrans-82.4150.6-179.100000113.5T103A101-T103 PolarHBondContact O-N 2.86Å
102P44.4Very low38.7Very low131 Ų131125.7 Ų125.785%0.85178%0.775SS**PPolyproline II helixtrans-74.6118.1169.930.3-32.7000110.8
103T44.9Very low39.3Very low137 Ų137130.5 Ų130.584%0.8478%0.775SS**PPolyproline II helixtrans-71.5134.2179.4-61.60000112.7A101 G105A101-T103 PolarHBondContact O-N 2.86Å; T103-G105 PolarHBondContact O-N 3.25Å
104D38.1Very low39.7Very low137 Ų137128.9 Ų128.973%0.73376%0.762SS**  trans-32.1114.4168.3-159.3-30.3000114.8
105G37.3Very low40.7Very low67 Ų67129.6 Ų129.669%0.69176%0.758SS**  trans-100.684.2178.900000112.1T103 P107T103-G105 PolarHBondContact O-N 3.25Å; G105-P107 VanDerWaalsContact O-CD 3.27Å; G105-P107 WeakPolarHBondContact O-CD 3.42Å
106Q39.7Very low41.6Very low155 Ų155132.8 Ų132.872%0.72477%0.765SS**  trans-64.4121.6178-71.1-167.7-21.600113.2Q108Q106-Q108 PolarHBondContact O-N 3.41Å
107P43.4Very low42.2Very low122 Ų122128 Ų12879%0.79275%0.745SS**  trans-79.8114.3161.8-4.424000108.7G105 T109G105-P107 VanDerWaalsContact O-CD 3.27Å; G105-P107 WeakPolarHBondContact O-CD 3.42Å; P107-T109 PolarHBondContact O-N 3.24Å
108Q40.8Very low43.3Very low173 Ų173130.4 Ų130.481%0.80875%0.746SS**  trans-70.7103.3178.6-75.7-171.6-21.300111.9Q106Q106-Q108 PolarHBondContact O-N 3.41Å
109T36.4Very low45Very low130 Ų130127.1 Ų127.180%0.79873%0.734SS**  trans43.493.5153.852.90000117P107P107-T109 PolarHBondContact O-N 3.24Å
110Q37.8Very low47.5Very low172 Ų172124.6 Ų124.680%0.80472%0.717SS**  trans-57.2144.7157.2-60.6169.30.800110.6S112Q110-S112 PolarHBondContact O-N 2.77Å; Q110-S112 VanDerWaalsContact O-N 3.1Å
111P47.7Very low50.1Low127 Ų127123.6 Ų123.683%0.82570%0.702SS**  trans-72.1101.1165.230.3-31.8000109.2E113P111-E113 PolarHBondContact O-N 2.72Å; P111-E113 VanDerWaalsContact O-N 3.14Å
112S42.5Very low52.7Low106 Ų106121.7 Ų121.774%0.74168%0.678SS**  trans-67.6109.6-179.8-52.80000111.8Q110 N114Q110-S112 PolarHBondContact O-N 2.77Å; Q110-S112 VanDerWaalsContact O-N 3.1Å; S112-N114 VanDerWaalsContact C-N 3.28Å; S112-N114 PolarHBondContact O-N 3.08Å
113E48.5Very low55.1Low180 Ų180117.2 Ų117.284%0.84164%0.644SS**  trans-68.682.5169.5-76.7-167.690.700111.1P111 T115P111-E113 PolarHBondContact O-N 2.72Å; P111-E113 VanDerWaalsContact O-N 3.14Å; E113-T115 VanDerWaalsContact C-N 3.26Å; E113-T115 PolarHBondContact O-N 2.79Å; E113-T115 PolarHBondContact O-OG1 2.89Å
114N42.4Very low57.6Low108 Ų108110.7 Ų110.758%0.57860%0.604SS**  trans-79.278.5169.9-171-30.8000109.7S112 E116 N117S112-N114 VanDerWaalsContact C-N 3.28Å; S112-N114 PolarHBondContact O-N 3.08Å; N114-E116 PolarHBondContact O-N 2.93Å; N114-N117 PolarHBondContact O-N 3.47Å; N114-N117 PolarHBondContact OD1-ND2 3.32Å; N114-N117 VanDerWaalsContact OD1-ND2 3.1Å
115T54.6Low60.5Low97 Ų97106.1 Ų106.160%0.59558%0.579SS**THydrogen-bonded Turntrans-62.1-8.8-172.9-62.20000114.7E113 K118E113-T115 VanDerWaalsContact C-N 3.26Å; E113-T115 PolarHBondContact O-N 2.79Å; E113-T115 PolarHBondContact O-OG1 2.89Å; T115-K118 VanDerWaalsContact O-CD 3.31Å; T115-K118 WeakPolarHBondContact O-CD 3.31Å; T115-K118 WeakPolarHBondContact O-CG 3.41Å
116E51.9Low63.4Low182 Ų182103 Ų10385%0.8555%0.546SS*.THydrogen-bonded Turntrans-96.5-0.9-175.5-152.4161.8-160.800114.1N114N114-E116 PolarHBondContact O-N 2.93Å
117N50.6Low66.1Low71 Ų7196.3 Ų96.338%0.3852%0.517SS..  trans-108.538.4-177-86-83.9000114.4N114 S119 Q120N114-N117 PolarHBondContact O-N 3.47Å; N114-N117 PolarHBondContact OD1-ND2 3.32Å; N114-N117 VanDerWaalsContact OD1-ND2 3.1Å; N117-S119 PolarHBondContact O-N 3.4Å; N117-Q120 HydrophobicContact CB-CG 4.03Å; N117-Q120 PolarHBondContact O-N 3.02Å; N117-Q120 PolarHBondContact OD1-NE2 2.89Å
118K58.5Low68.7Low161 Ų16193.4 Ų93.470%0.749%0.494SS*.THydrogen-bonded Turntrans-73.519.2-164.9-51.4-17070.7170.60117.6T115 N170T115-K118 VanDerWaalsContact O-CD 3.31Å; T115-K118 WeakPolarHBondContact O-CD 3.31Å; T115-K118 WeakPolarHBondContact O-CG 3.41Å; K118-N170 PolarHBondContact O-OD1 2.88Å
119S72Confident71.4Confident75 Ų7585.1 Ų85.152%0.52446%0.456SS..THydrogen-bonded Turntrans-15439.2172-167.30000112.8N117N117-S119 PolarHBondContact O-N 3.4Å
120Q87.3Confident74.3Confident105 Ų10579.2 Ų79.249%0.49142%0.42SS..  trans-75.2125.5170.3-65.5-65.7-1100109.8N117 S171N117-Q120 HydrophobicContact CB-CG 4.03Å; N117-Q120 PolarHBondContact O-N 3.02Å; N117-Q120 PolarHBondContact OD1-NE2 2.89Å; Q120-S171 PolarHBondContact O-N 3.14Å
121P92.3Very high77.1Confident75 Ų7576.3 Ų76.349%0.48741%0.405SS..  trans-68.2135.4-177.227.5-34.7000111.2L149 F168 E169P121-L149 HydrophobicContact CB-CD1 3.87Å; P121-F168 CarbonylContact C-O 3.5Å; P121-F168 WeakPolarHBondContact CA-O 3.39Å; P121-F168 VanDerWaalsContact CB-O 3.31Å; P121-F168 WeakPolarHBondContact CB-O 3.35Å; P121-E169 WeakPolarHBondContact CA-O 3.43Å
122K95.4Very high79.4Confident45 Ų4580.1 Ų80.120%0.19640%0.403CS..EExtended strand (participates in β ladder)trans-124.6127.8-171-176.8160.5169.6174.70111.7F168 A174 D175K122-F168 PolarHBondContact N-O 2.99Å; K122-F168 PolarHBondContact O-N 2.82Å; K122-A174 HydrophobicContact CB-CB 3.89Å; K122-A174 HydrophobicContact CD-CB 4Å; K122-A174 HydrophobicContact CG-CB 3.81Å; K122-D175 IonicContact NZ-OD1 3.1Å; K122-D175 PolarHBondContact NZ-OD1 2.99Å; K122-D175 IonicContact NZ-OD2 3.11Å; K122-D175 PolarHBondContact NZ-OD2 3.02Å
123R95.9Very high82Confident36 Ų3675.9 Ų75.914%0.13637%0.371CS..EExtended strand (participates in β ladder)trans-97.6127.1-180-163.3177.7-138.3-131.83.7110.9D150 E152 F165 V166 T167 A196R123-D150 IonicContact NH2-OD2 3.91Å; R123-D150 PolarHBondContact NH2-OD2 3.19Å; R123-D150 VanDerWaalsContact NH2-OD2 3.17Å; R123-E152 IonicContact CZ-OE2 3.37Å; R123-E152 IonicContact NH1-OE2 3.01Å; R123-E152 PolarHBondContact NH1-OE2 2.7Å; R123-E152 IonicContact NH2-OE2 2.78Å; R123-E152 PolarHBondContact NH2-OE2 3.35Å; R123-F165 HydrophobicContact CG-CB 4.17Å; R123-F165 VanDerWaalsContact NH1-CD2 3.28Å; R123-V166 WeakPolarHBondContact CA-O 3.28Å; R123-T167 PolarHBondContact NE-OG1 2.81Å; R123-A196 HydrophobicContact CB-CB 3.94Å; R123-A196 HydrophobicContact CG-CB 3.75Å; R123-A196 WeakPolarHBondContact O-CB 3.24Å; R123-A196 PolarHBondContact O-N 3.01Å
124L97.4Very high84.3Confident0 Ų072.1 Ų72.10%035%0.349CS..EExtended strand (participates in β ladder)trans-100.8150.2169.9-57.4-179.8000109.9F142 F165 V166 F168 A174 A177 R178 V193 N194L124-F142 HydrophobicContact CD1-CD1 4.41Å; L124-F142 HydrophobicContact CD1-CE1 4.16Å; L124-F165 CarbonylContact O-C 3.59Å; L124-F165 WeakPolarHBondContact O-CA 3.38Å; L124-V166 PolarHBondContact N-O 2.86Å; L124-V166 PolarHBondContact O-N 2.66Å; L124-F168 HydrophobicContact CD1-CD2 4.19Å; L124-F168 HydrophobicContact CD1-CE2 3.77Å; L124-A174 HydrophobicContact CD1-CB 4.1Å; L124-A174 WeakPolarHBondContact CD1-O 3.4Å; L124-A174 HydrophobicContact CD2-CB 4.01Å; L124-A174 HydrophobicContact CG-CB 4.02Å; L124-A177 HydrophobicContact CD1-CB 4.29Å; L124-R178 HydrophobicContact CD1-CB 4.36Å; L124-R178 HydrophobicContact CD2-CB 4.35Å; L124-V193 HydrophobicContact CB-CG1 4.07Å; L124-V193 HydrophobicContact CD1-CG1 3.74Å; L124-V193 HydrophobicContact CG-CG1 4.34Å; L124-N194 CarbonylContact C-O 3.56Å; L124-N194 WeakPolarHBondContact CA-O 3.48Å
125H98.1Very high86.9Confident42 Ų4269.9 Ų69.919%0.19434%0.337CS..EExtended strand (participates in β ladder)trans-102.9133.1165.7169.1-101.6000108.3S127 F163 F165 V193 N194 A196H125-S127 PolarHBondContact CE1-OG 3.41Å; H125-F163 AromaticContact CD2-CD2 3.78Å; H125-F163 AromaticContact NE2-CD2 3.37Å; H125-F163 WeakPolarHBondContact NE2-CD2 3.35Å; H125-F163 AromaticContact NE2-CE2 4Å; H125-F163 AromaticContact NE2-CG 3.73Å; H125-F165 HydrophobicContact CB-CD1 3.96Å; H125-F165 HydrophobicContact CB-CE1 3.89Å; H125-F165 AromaticContact CD2-CE1 3.61Å; H125-F165 AromaticContact CD2-CZ 3.98Å; H125-V193 WeakPolarHBondContact O-CA 3.5Å; H125-N194 PolarHBondContact N-O 3.46Å; H125-N194 PolarHBondContact O-N 3.06Å; H125-A196 HydrophobicContact CB-CB 4.21Å
126V97.9Very high88.9Confident0 Ų069 Ų690%033%0.333CS..EExtended strand (participates in β ladder)trans-123.2104.4-175.7-169.70000108.7I129 L138 F142 F163 G164 V166 E192 V193V126-I129 HydrophobicContact CG1-CG2 3.61Å; V126-L138 HydrophobicContact CG1-CD2 4.48Å; V126-F142 HydrophobicContact CB-CZ 4.31Å; V126-F142 HydrophobicContact CG1-CE2 4.04Å; V126-F142 HydrophobicContact CG1-CZ 3.79Å; V126-F142 HydrophobicContact CG2-CE1 4.02Å; V126-F142 HydrophobicContact CG2-CE2 4.01Å; V126-F142 HydrophobicContact CG2-CZ 3.45Å; V126-F142 VanDerWaalsContact CG2-CZ 3.45Å; V126-F163 CarbonylContact O-C 3.52Å; V126-F163 WeakPolarHBondContact O-CA 3.46Å; V126-F163 VanDerWaalsContact O-CB 3.27Å; V126-F163 WeakPolarHBondContact O-CB 3.28Å; V126-G164 PolarHBondContact N-O 3.37Å; V126-G164 PolarHBondContact O-N 3.43Å; V126-V166 HydrophobicContact CG2-CG2 4.08Å; V126-E192 CarbonylContact C-O 3.6Å; V126-E192 WeakPolarHBondContact CA-O 3.27Å; V126-V193 HydrophobicContact CG1-CG2 4.37Å
127S97.6Very high91Very high16 Ų1663.1 Ų63.111%0.11231%0.307CS..EExtended strand (participates in β ladder)trans-100.4160.8-178.2280000114H125 I129 I191 E192H125-S127 PolarHBondContact CE1-OG 3.41Å; S127-I129 VanDerWaalsContact C-N 3.26Å; S127-I129 PolarHBondContact O-N 3.47Å; S127-I191 WeakPolarHBondContact O-CA 3.4Å; S127-E192 PolarHBondContact N-O 3.01Å; S127-E192 PolarHBondContact O-N 2.9Å; S127-E192 WeakPolarHBondContact OG-CB 3.09Å; S127-E192 PolarHBondContact OG-OE2 2.75Å
128N97.6Very high93.2Very high60 Ų6059.7 Ų59.732%0.32129%0.289SS..SBendtrans64.518.1178.4-158.825.8000115.9G162 R189 K190N128-G162 CarbonylContact C-O 3.56Å; N128-G162 WeakPolarHBondContact CA-O 2.97Å; N128-G162 PolarHBondContact N-O 3.28Å; N128-R189 WeakPolarHBondContact O-CB 3.31Å; N128-R189 PolarHBondContact O-NE 3.37Å; N128-R189 PolarHBondContact OD1-NE 2.83Å; N128-R189 PolarHBondContact OD1-NH2 3.27Å; N128-K190 WeakPolarHBondContact CB-O 3.37Å; N128-K190 PolarHBondContact ND2-O 3.47Å
129I97.4Very high95Very high0 Ų056.2 Ų56.20%027%0.271CS..  trans-66.7152.6175.463.3175.5000111.6V126 S127 F133 L138 G162 I191V126-I129 HydrophobicContact CG1-CG2 3.61Å; S127-I129 VanDerWaalsContact C-N 3.26Å; S127-I129 PolarHBondContact O-N 3.47Å; I129-F133 HydrophobicContact CB-CD1 4.39Å; I129-F133 HydrophobicContact CD1-CB 4.2Å; I129-L138 HydrophobicContact CD1-CD1 4.25Å; I129-L138 HydrophobicContact CD1-CD2 4.32Å; I129-L138 HydrophobicContact CG2-CD2 4.46Å; I129-G162 PolarHBondContact N-O 2.94Å; I129-G162 VanDerWaalsContact N-O 3.08Å; I129-G162 WeakPolarHBondContact O-CA 3.36Å; I129-I191 HydrophobicContact CG2-CG2 3.95Å
130P96.4Very high96.2Very high6 Ų660.1 Ų60.14%0.03928%0.281CS..  trans-60.8142.4177.3-21.833000112.7R132 F133 E187P130-R132 PolarHBondContact O-N 2.82Å; P130-F133 HydrophobicContact CB-CD2 3.86Å; P130-F133 HydrophobicContact CB-CE2 4.22Å; P130-F133 HydrophobicContact CG-CD2 3.82Å; P130-F133 HydrophobicContact CG-CE2 3.75Å; P130-F133 HydrophobicContact CG-CZ 4.44Å; P130-F133 WeakPolarHBondContact O-CB 3.47Å; P130-F133 PolarHBondContact O-N 3.25Å; P130-E187 HydrophobicContact CB-CB 4.48Å; P130-E187 WeakPolarHBondContact CB-OE2 3.21Å; P130-E187 HydrophobicContact CG-CB 3.76Å; P130-E187 HydrophobicContact CG-CG 3.93Å; P130-E187 WeakPolarHBondContact CG-OE2 3.43Å
131F96.9Very high96.6Very high111 Ų11156.6 Ų56.649%0.48727%0.265SS..THydrogen-bonded Turntrans-63.5-13.5-176.9-55.2-54000114.4R134 S160F131-R134 PolarHBondContact O-NH1 3.47Å; F131-S160 WeakPolarHBondContact CD1-O 3.44Å; F131-S160 VanDerWaalsContact O-CB 3.31Å; F131-S160 WeakPolarHBondContact O-CB 3.17Å
132R96.2Very high96.8Very high207 Ų20753 Ų5378%0.78124%0.242SC*.THydrogen-bonded Turntrans-80.5-24.2175.7-65.9-71.2162.8169.5-4.8113.3P130 R134P130-R132 PolarHBondContact O-N 2.82Å; R132-R134 PolarHBondContact O-NH1 2.82Å; R132-R134 VanDerWaalsContact O-NH1 3.11Å
133F96.6Very high96.8Very high17 Ų1752.6 Ų52.68%0.07525%0.25CS..  trans-57.8143.1-176.8-89.5-135.7000113.4I129 P130 D137 L138 M141 I153 V186 E187I129-F133 HydrophobicContact CB-CD1 4.39Å; I129-F133 HydrophobicContact CD1-CB 4.2Å; P130-F133 HydrophobicContact CB-CD2 3.86Å; P130-F133 HydrophobicContact CB-CE2 4.22Å; P130-F133 HydrophobicContact CG-CD2 3.82Å; P130-F133 HydrophobicContact CG-CE2 3.75Å; P130-F133 HydrophobicContact CG-CZ 4.44Å; P130-F133 WeakPolarHBondContact O-CB 3.47Å; P130-F133 PolarHBondContact O-N 3.25Å; F133-D137 WeakPolarHBondContact CA-OD2 3.44Å; F133-D137 HydrophobicContact CB-CB 4.43Å; F133-D137 HydrophobicContact CD1-CB 3.74Å; F133-D137 HydrophobicContact CD2-CB 4.34Å; F133-D137 HydrophobicContact CE1-CB 3.92Å; F133-D137 HydrophobicContact CE2-CB 4.5Å; F133-D137 HydrophobicContact CG-CB 3.95Å; F133-D137 HydrophobicContact CZ-CB 4.28Å; F133-L138 HydrophobicContact CD1-CD2 4.05Å; F133-L138 HydrophobicContact CD1-CG 4.42Å; F133-M141 HydrophobicContact CE1-SD 3.77Å; F133-M141 HydrophobicContact CZ-SD 4.26Å; F133-I153 WeakPolarHBondContact O-CD1 3.44Å; F133-V186 HydrophobicContact CE1-CG1 4.08Å; F133-V186 HydrophobicContact CE2-CG1 4.14Å; F133-V186 HydrophobicContact CZ-CG1 3.41Å; F133-V186 VanDerWaalsContact CZ-CG1 3.41Å; F133-E187 HydrophobicContact CE2-CG 4.37Å
134R97Very high96.8Very high100 Ų10057.6 Ų57.638%0.37728%0.275SS..  trans-132.8-179.5179.7-60.3-58.9177.5-100.50.5110.3F131 R132 P136 D137 L138F131-R134 PolarHBondContact O-NH1 3.47Å; R132-R134 PolarHBondContact O-NH1 2.82Å; R132-R134 VanDerWaalsContact O-NH1 3.11Å; R134-P136 HydrophobicContact CB-CG 4.31Å; R134-D137 PolarHBondContact N-OD2 3.47Å; R134-D137 PolarHBondContact O-N 3.15Å; R134-L138 PolarHBondContact O-N 3.33Å
135D96.4Very high96.8Very high62 Ų6259.3 Ų59.333%0.33228%0.283SS..Hα-helixtrans-45.2-52174.2169.5-77.9000113.5D137 L138 R139 V151D135-D137 PolarHBondContact O-N 3.19Å; D135-L138 PolarHBondContact O-N 3.49Å; D135-R139 WeakPolarHBondContact O-CG 3.25Å; D135-R139 PolarHBondContact O-N 3.32Å; D135-R139 VanDerWaalsContact OD1-CD 3.3Å; D135-R139 WeakPolarHBondContact OD1-CD 3.33Å; D135-R139 IonicContact OD1-CZ 3.01Å; D135-R139 IonicContact OD1-NE 2.75Å; D135-R139 PolarHBondContact OD1-NE 3.23Å; D135-R139 IonicContact OD2-CZ 2.63Å; D135-R139 VanDerWaalsContact OD2-CZ 3.25Å; D135-R139 IonicContact OD2-NE 3.92Å; D135-R139 PolarHBondContact OD2-NE 3.29Å; D135-R139 IonicContact OD2-NH2 2.66Å; D135-R139 PolarHBondContact OD2-NH2 2.7Å; D135-V151 WeakPolarHBondContact OD2-CB 3.4Å
136P97.3Very high96.7Very high79 Ų7958.1 Ų58.151%0.51328%0.281SS..Hα-helixtrans-62.1-38.4-178.221.5-34.6000113.8R134 L138 R139 Q140R134-P136 HydrophobicContact CB-CG 4.31Å; P136-L138 PolarHBondContact O-N 2.91Å; P136-R139 PolarHBondContact O-N 3.44Å; P136-Q140 WeakPolarHBondContact O-CB 3.2Å; P136-Q140 PolarHBondContact O-N 2.68Å
137D96.5Very high96.6Very high57 Ų5763.9 Ų63.931%0.30531%0.306SS..Hα-helixtrans-66.2-41.9-178.5-46.5-61.9000111F133 R134 D135 Q140 M141F133-D137 WeakPolarHBondContact CA-OD2 3.44Å; F133-D137 HydrophobicContact CB-CB 4.43Å; F133-D137 HydrophobicContact CD1-CB 3.74Å; F133-D137 HydrophobicContact CD2-CB 4.34Å; F133-D137 HydrophobicContact CE1-CB 3.92Å; F133-D137 HydrophobicContact CE2-CB 4.5Å; F133-D137 HydrophobicContact CG-CB 3.95Å; F133-D137 HydrophobicContact CZ-CB 4.28Å; R134-D137 PolarHBondContact N-OD2 3.47Å; R134-D137 PolarHBondContact O-N 3.15Å; D135-D137 PolarHBondContact O-N 3.19Å; D137-Q140 PolarHBondContact O-N 3.45Å; D137-M141 PolarHBondContact O-N 3.45Å
138L96.6Very high96.6Very high0 Ų064 Ų640%031%0.306CS..Hα-helixtrans-68.6-39.1173.1-69.3-178.8000111.7V126 I129 F133 R134 D135 P136 Q140 M141 F142 V151 I153 V166V126-L138 HydrophobicContact CG1-CD2 4.48Å; I129-L138 HydrophobicContact CD1-CD1 4.25Å; I129-L138 HydrophobicContact CD1-CD2 4.32Å; I129-L138 HydrophobicContact CG2-CD2 4.46Å; F133-L138 HydrophobicContact CD1-CD2 4.05Å; F133-L138 HydrophobicContact CD1-CG 4.42Å; R134-L138 PolarHBondContact O-N 3.33Å; D135-L138 PolarHBondContact O-N 3.49Å; P136-L138 PolarHBondContact O-N 2.91Å; L138-Q140 VanDerWaalsContact C-N 3.33Å; L138-Q140 PolarHBondContact O-N 2.92Å; L138-M141 PolarHBondContact O-N 3.38Å; L138-F142 HydrophobicContact CD2-CD2 4.3Å; L138-F142 HydrophobicContact CD2-CE2 3.99Å; L138-F142 WeakPolarHBondContact O-CB 3.3Å; L138-F142 WeakPolarHBondContact O-CD2 3.48Å; L138-F142 PolarHBondContact O-N 3.02Å; L138-V151 HydrophobicContact CB-CG1 3.92Å; L138-V151 HydrophobicContact CD1-CG1 3.63Å; L138-V151 HydrophobicContact CG-CG1 4.41Å; L138-I153 HydrophobicContact CD1-CD1 3.74Å; L138-I153 HydrophobicContact CD1-CG1 3.7Å; L138-I153 HydrophobicContact CG-CD1 4.4Å; L138-V166 HydrophobicContact CB-CG2 4.35Å; L138-V166 HydrophobicContact CD1-CG2 4.34Å
139R96.8Very high96.5Very high87 Ų8765.3 Ų65.333%0.32831%0.312SS..Hα-helixtrans-62.5-39.4174.2-74.3-174.1-167.5-86.5-11.9112.2D135 P136 G143 I148 V151D135-R139 WeakPolarHBondContact O-CG 3.25Å; D135-R139 PolarHBondContact O-N 3.32Å; D135-R139 VanDerWaalsContact OD1-CD 3.3Å; D135-R139 WeakPolarHBondContact OD1-CD 3.33Å; D135-R139 IonicContact OD1-CZ 3.01Å; D135-R139 IonicContact OD1-NE 2.75Å; D135-R139 PolarHBondContact OD1-NE 3.23Å; D135-R139 IonicContact OD2-CZ 2.63Å; D135-R139 VanDerWaalsContact OD2-CZ 3.25Å; D135-R139 IonicContact OD2-NE 3.92Å; D135-R139 PolarHBondContact OD2-NE 3.29Å; D135-R139 IonicContact OD2-NH2 2.66Å; D135-R139 PolarHBondContact OD2-NH2 2.7Å; P136-R139 PolarHBondContact O-N 3.44Å; R139-G143 VanDerWaalsContact O-CA 3.25Å; R139-G143 WeakPolarHBondContact O-CA 3.49Å; R139-G143 PolarHBondContact O-N 3.23Å; R139-I148 HydrophobicContact CB-CD1 4.5Å; R139-I148 HydrophobicContact CG-CD1 4.36Å; R139-I148 PolarHBondContact NH1-O 2.72Å; R139-V151 HydrophobicContact CG-CG2 3.94Å
140Q96.6Very high96.4Very high158 Ų15868.5 Ų68.574%0.73833%0.329SS*.Hα-helixtrans-66.9-44.7176.7-174.9173.2-7.200111.5P136 D137 L138P136-Q140 WeakPolarHBondContact O-CB 3.2Å; P136-Q140 PolarHBondContact O-N 2.68Å; D137-Q140 PolarHBondContact O-N 3.45Å; L138-Q140 VanDerWaalsContact C-N 3.33Å; L138-Q140 PolarHBondContact O-N 2.92Å
141M95.1Very high96.4Very high31 Ų3169 Ų6915%0.15333%0.332CS..Hα-helixtrans-66.6-44.4177.5-82.7-1656200113.8F133 D137 L138 Q144 L181 V186 I191F133-M141 HydrophobicContact CE1-SD 3.77Å; F133-M141 HydrophobicContact CZ-SD 4.26Å; D137-M141 PolarHBondContact O-N 3.45Å; L138-M141 PolarHBondContact O-N 3.38Å; M141-Q144 PolarHBondContact O-NE2 3.36Å; M141-L181 HydrophobicContact CE-CD1 4.13Å; M141-L181 HydrophobicContact CE-CD2 3.77Å; M141-L181 HydrophobicContact CE-CG 4.48Å; M141-V186 HydrophobicContact CE-CG2 3.77Å; M141-V186 HydrophobicContact SD-CG1 4.08Å; M141-V186 HydrophobicContact SD-CG2 3.99Å; M141-I191 HydrophobicContact CE-CD1 3.69Å
142F96.6Very high96.4Very high0 Ų065.8 Ų65.80%032%0.319CS..Hα-helixtrans-94.1-25.6-171.1-76.4-99.3000113.2L124 V126 L138 Q144 F145 I148 V166 F168 A177 L181 V193L124-F142 HydrophobicContact CD1-CD1 4.41Å; L124-F142 HydrophobicContact CD1-CE1 4.16Å; V126-F142 HydrophobicContact CB-CZ 4.31Å; V126-F142 HydrophobicContact CG1-CE2 4.04Å; V126-F142 HydrophobicContact CG1-CZ 3.79Å; V126-F142 HydrophobicContact CG2-CE1 4.02Å; V126-F142 HydrophobicContact CG2-CE2 4.01Å; V126-F142 HydrophobicContact CG2-CZ 3.45Å; V126-F142 VanDerWaalsContact CG2-CZ 3.45Å; L138-F142 HydrophobicContact CD2-CD2 4.3Å; L138-F142 HydrophobicContact CD2-CE2 3.99Å; L138-F142 WeakPolarHBondContact O-CB 3.3Å; L138-F142 WeakPolarHBondContact O-CD2 3.48Å; L138-F142 PolarHBondContact O-N 3.02Å; F142-Q144 VanDerWaalsContact C-N 3.25Å; F142-Q144 PolarHBondContact O-N 3.14Å; F142-F145 PolarHBondContact O-N 2.86Å; F142-F145 VanDerWaalsContact O-N 3.08Å; F142-I148 HydrophobicContact CB-CD1 3.68Å; F142-V166 HydrophobicContact CB-CG1 4.17Å; F142-V166 HydrophobicContact CD1-CG1 4.46Å; F142-V166 HydrophobicContact CD2-CG2 4.24Å; F142-V166 HydrophobicContact CG-CG1 4.34Å; F142-V166 HydrophobicContact CG-CG2 4.25Å; F142-F168 HydrophobicContact CB-CE2 4.39Å; F142-F168 HydrophobicContact CB-CZ 3.87Å; F142-F168 AromaticContact CD1-CE2 3.94Å; F142-F168 HydrophobicContact CD1-CE2 3.94Å; F142-F168 AromaticContact CD1-CZ 3.99Å; F142-F168 HydrophobicContact CD1-CZ 3.99Å; F142-F168 HydrophobicContact CG-CZ 4.44Å; F142-A177 HydrophobicContact CD1-CB 4.03Å; F142-A177 HydrophobicContact CE1-CB 4.49Å; F142-L181 HydrophobicContact CD1-CD1 3.68Å; F142-L181 HydrophobicContact CD2-CD1 3.85Å; F142-L181 HydrophobicContact CE1-CD1 3.54Å; F142-L181 HydrophobicContact CE2-CD1 3.7Å; F142-L181 HydrophobicContact CG-CD1 3.83Å; F142-L181 HydrophobicContact CZ-CB 4.47Å; F142-L181 HydrophobicContact CZ-CD1 3.54Å; F142-V193 HydrophobicContact CE1-CG1 4.07Å; F142-V193 HydrophobicContact CE1-CG2 4.14Å; F142-V193 HydrophobicContact CZ-CG1 4.43Å; F142-V193 HydrophobicContact CZ-CG2 3.83Å
143G96.2Very high96.4Very high35 Ų3556.9 Ų56.936%0.36129%0.286SS..Hα-helixtrans-67.6-21.6-173.600000114.5R139 F145 G146R139-G143 VanDerWaalsContact O-CA 3.25Å; R139-G143 WeakPolarHBondContact O-CA 3.49Å; R139-G143 PolarHBondContact O-N 3.23Å; G143-F145 PolarHBondContact O-N 3.01Å; G143-G146 PolarHBondContact O-N 3.48Å
144Q96.6Very high96.4Very high142 Ų14258 Ų5866%0.66429%0.293SS*.THydrogen-bonded Turntrans-63.2-19.5171.969.2-175.3-48.700113.5M141 F142M141-Q144 PolarHBondContact O-NE2 3.36Å; F142-Q144 VanDerWaalsContact C-N 3.25Å; F142-Q144 PolarHBondContact O-N 3.14Å
145F96.3Very high96.4Very high36 Ų3658.3 Ų58.316%0.15830%0.297CS..THydrogen-bonded Turntrans-94.4-22-178.6-60.7-72.3000113.6F142 G143 F168 R176 A177 K180 L181F142-F145 PolarHBondContact O-N 2.86Å; F142-F145 VanDerWaalsContact O-N 3.08Å; G143-F145 PolarHBondContact O-N 3.01Å; F145-F168 HydrophobicContact CB-CE1 4.38Å; F145-R176 PolarHBondContact O-NH2 2.83Å; F145-A177 HydrophobicContact CB-CB 3.72Å; F145-A177 HydrophobicContact CD2-CB 3.67Å; F145-A177 HydrophobicContact CE2-CB 4.5Å; F145-A177 HydrophobicContact CG-CB 3.73Å; F145-K180 HydrophobicContact CE1-CB 3.65Å; F145-K180 HydrophobicContact CE1-CG 3.86Å; F145-K180 HydrophobicContact CZ-CB 3.67Å; F145-K180 HydrophobicContact CZ-CG 4.39Å; F145-L181 HydrophobicContact CD2-CD1 4.28Å; F145-L181 HydrophobicContact CE2-CD1 3.71Å; F145-L181 HydrophobicContact CE2-CD2 4.06Å; F145-L181 HydrophobicContact CE2-CG 3.7Å; F145-L181 HydrophobicContact CZ-CD2 4.35Å; F145-L181 HydrophobicContact CZ-CG 4.18Å
146G95.6Very high96.4Very high16 Ų1660.2 Ų60.217%0.16531%0.307CS..SBendtrans165.3173.9-177.100000113.2G143 I148 D173G143-G146 PolarHBondContact O-N 3.48Å; G146-I148 PolarHBondContact O-N 3.5Å; G146-D173 WeakPolarHBondContact CA-OD2 3.3Å
147K96.8Very high96.3Very high121 Ų12165.7 Ų65.753%0.52633%0.326SS..  trans-74126-174.2177152.1158.2-940112.1F168 E169K147-F168 WeakPolarHBondContact O-CA 3.1Å; K147-E169 HydrophobicContact CB-CB 4.34Å; K147-E169 WeakPolarHBondContact CB-OE2 3.39Å; K147-E169 WeakPolarHBondContact CD-OE2 3.37Å; K147-E169 WeakPolarHBondContact CE-OE2 3.35Å; K147-E169 HydrophobicContact CG-CB 4.44Å; K147-E169 VanDerWaalsContact CG-OE2 3.3Å; K147-E169 WeakPolarHBondContact CG-OE2 3.45Å; K147-E169 IonicContact NZ-OE1 2.68Å; K147-E169 PolarHBondContact NZ-OE1 2.83Å; K147-E169 IonicContact NZ-OE2 2.7Å; K147-E169 PolarHBondContact NZ-OE2 3.11Å; K147-E169 PolarHBondContact O-N 3.21Å
148I96.8Very high96.2Very high20 Ų2074.8 Ų74.810%0.10336%0.356CS..EExtended strand (participates in β ladder)trans-97.7121.9180-61.5167.7000109.9R139 F142 G146 V151 V166 F168R139-I148 HydrophobicContact CB-CD1 4.5Å; R139-I148 HydrophobicContact CG-CD1 4.36Å; R139-I148 PolarHBondContact NH1-O 2.72Å; F142-I148 HydrophobicContact CB-CD1 3.68Å; G146-I148 PolarHBondContact O-N 3.5Å; I148-V151 HydrophobicContact CG2-CG2 3.53Å; I148-V166 HydrophobicContact CD1-CG1 3.96Å; I148-V166 HydrophobicContact CG1-CG1 3.94Å; I148-V166 HydrophobicContact CG2-CG1 3.89Å; I148-F168 HydrophobicContact CG1-CD1 4.32Å; I148-F168 HydrophobicContact CG1-CE1 4.1Å; I148-F168 HydrophobicContact CG1-CZ 4.37Å
149L95.8Very high96.1Very high86 Ų8676.1 Ų76.145%0.4537%0.37SS..EExtended strand (participates in β ladder)trans-80.2-51.5175.2-59.3178.5000111.4P121 T167 E169P121-L149 HydrophobicContact CB-CD1 3.87Å; L149-T167 PolarHBondContact N-O 2.84Å; L149-E169 HydrophobicContact CD1-CB 4.28Å; L149-E169 HydrophobicContact CD2-CB 3.98Å; L149-E169 HydrophobicContact CD2-CG 4.34Å; L149-E169 HydrophobicContact CG-CB 4Å
150D95.1Very high96.1Very high67 Ų6772.6 Ų72.636%0.35836%0.359SS..EExtended strand (participates in β ladder)trans-139145.3-169.8164.657.8000110.9R123 T167R123-D150 IonicContact NH2-OD2 3.91Å; R123-D150 PolarHBondContact NH2-OD2 3.19Å; R123-D150 VanDerWaalsContact NH2-OD2 3.17Å; D150-T167 PolarHBondContact N-O 3.41Å; D150-T167 PolarHBondContact O-N 2.8Å; D150-T167 PolarHBondContact OD2-OG1 2.82Å
151V96.9Very high96.1Very high17 Ų1771 Ų7110%0.10335%0.349CS..EExtended strand (participates in β ladder)trans-137.2127.7171.8-176.70000108.7D135 L138 R139 I148 F165 V166D135-V151 WeakPolarHBondContact OD2-CB 3.4Å; L138-V151 HydrophobicContact CB-CG1 3.92Å; L138-V151 HydrophobicContact CD1-CG1 3.63Å; L138-V151 HydrophobicContact CG-CG1 4.41Å; R139-V151 HydrophobicContact CG-CG2 3.94Å; I148-V151 HydrophobicContact CG2-CG2 3.53Å; V151-F165 WeakPolarHBondContact CA-O 3.39Å; V151-V166 HydrophobicContact CG1-CG2 4.4Å; V151-V166 HydrophobicContact CG2-CG1 4.49Å
152E96.5Very high96.2Very high44 Ų4469.7 Ų69.721%0.20634%0.344CS..EExtended strand (participates in β ladder)trans-129.5120-179175.7-179.2-125.700109.8R123 I154 G164 F165 R199R123-E152 IonicContact CZ-OE2 3.37Å; R123-E152 IonicContact NH1-OE2 3.01Å; R123-E152 PolarHBondContact NH1-OE2 2.7Å; R123-E152 IonicContact NH2-OE2 2.78Å; R123-E152 PolarHBondContact NH2-OE2 3.35Å; E152-I154 HydrophobicContact CG-CD1 3.96Å; E152-G164 CarbonylContact O-C 3.37Å; E152-G164 WeakPolarHBondContact O-CA 3.07Å; E152-F165 PolarHBondContact N-O 2.63Å; E152-F165 PolarHBondContact O-N 3.17Å; E152-R199 IonicContact OE1-CZ 2.84Å; E152-R199 IonicContact OE1-NH1 3.8Å; E152-R199 PolarHBondContact OE1-NH1 3.41Å; E152-R199 IonicContact OE1-NH2 2.67Å; E152-R199 PolarHBondContact OE1-NH2 2.87Å; E152-R199 IonicContact OE2-CZ 2.8Å; E152-R199 IonicContact OE2-NE 3.5Å; E152-R199 IonicContact OE2-NH1 3.17Å; E152-R199 PolarHBondContact OE2-NH1 3.12Å; E152-R199 IonicContact OE2-NH2 3.09Å; E152-R199 PolarHBondContact OE2-NH2 3.3Å; E152-R199 VanDerWaalsContact OE2-NH2 3.09Å
153I97Very high96.2Very high19 Ų1971.7 Ų71.710%0.09735%0.353CS..EExtended strand (participates in β ladder)trans-103133.6172.9-70.5162.6000108.6F133 L138 F155F133-I153 WeakPolarHBondContact O-CD1 3.44Å; L138-I153 HydrophobicContact CD1-CD1 3.74Å; L138-I153 HydrophobicContact CD1-CG1 3.7Å; L138-I153 HydrophobicContact CG-CD1 4.4Å; I153-F155 HydrophobicContact CB-CE2 3.85Å; I153-F155 HydrophobicContact CB-CZ 4.28Å; I153-F155 HydrophobicContact CG2-CD2 4.27Å; I153-F155 HydrophobicContact CG2-CE1 4.48Å; I153-F155 HydrophobicContact CG2-CE2 3.66Å; I153-F155 HydrophobicContact CG2-CZ 3.76Å; I153-F155 WeakPolarHBondContact O-CD2 3.37Å; I153-F155 WeakPolarHBondContact O-CE2 3.49Å
154I96.2Very high96.3Very high42 Ų4270 Ų7022%0.21534%0.336CS..EExtended strand (participates in β ladder)trans-86.8118.7-177.4-59.3-53.3000109.3E152 K161 F163 F165E152-I154 HydrophobicContact CG-CD1 3.96Å; I154-K161 HydrophobicContact CG2-CB 4.34Å; I154-K161 HydrophobicContact CG2-CD 4.16Å; I154-K161 WeakPolarHBondContact O-CB 3.48Å; I154-K161 PolarHBondContact O-N 3.5Å; I154-F163 HydrophobicContact CB-CD2 4.27Å; I154-F163 HydrophobicContact CB-CE2 3.8Å; I154-F163 HydrophobicContact CB-CZ 3.94Å; I154-F163 HydrophobicContact CG1-CD2 4.04Å; I154-F163 HydrophobicContact CG1-CE2 3.46Å; I154-F163 VanDerWaalsContact CG1-CE2 3.46Å; I154-F163 HydrophobicContact CG1-CZ 4.02Å; I154-F163 HydrophobicContact CG2-CE2 4.3Å; I154-F163 HydrophobicContact CG2-CZ 3.97Å; I154-F163 PolarHBondContact N-O 2.87Å; I154-F163 VanDerWaalsContact N-O 3.15Å; I154-F165 HydrophobicContact CD1-CD2 4.36Å; I154-F165 HydrophobicContact CD1-CE2 4.03Å; I154-F165 HydrophobicContact CG1-CD2 4.31Å; I154-F165 HydrophobicContact CG1-CE2 3.84Å
155F96.4Very high96.3Very high105 Ų10564.9 Ų64.946%0.46131%0.311SS..EExtended strand (participates in β ladder)trans-99.9153174.5-65.6-92.4000110.7I153 G159I153-F155 HydrophobicContact CB-CE2 3.85Å; I153-F155 HydrophobicContact CB-CZ 4.28Å; I153-F155 HydrophobicContact CG2-CD2 4.27Å; I153-F155 HydrophobicContact CG2-CE1 4.48Å; I153-F155 HydrophobicContact CG2-CE2 3.66Å; I153-F155 HydrophobicContact CG2-CZ 3.76Å; I153-F155 WeakPolarHBondContact O-CD2 3.37Å; I153-F155 WeakPolarHBondContact O-CE2 3.49Å; F155-G159 WeakPolarHBondContact CA-O 3.22Å
156N96.2Very high96.4Very high102 Ų10263.1 Ų63.155%0.54530%0.304SS..EExtended strand (participates in β ladder)trans-118.7174.4163.6-167.812000107.7R158 G159N156-R158 PolarHBondContact O-N 3.47Å; N156-G159 PolarHBondContact N-O 3.15Å; N156-G159 PolarHBondContact O-N 2.9Å; N156-G159 VanDerWaalsContact O-O 3.14Å
157E95.1Very high96.4Very high194 Ų19463.4 Ų63.491%0.90730%0.302SS*.THydrogen-bonded Turntrans-54.3-27.9-179.8-61.4174.516100113.6
158R94.9Very high96.4Very high248 Ų24857.6 Ų57.694%0.93628%0.277SS*.THydrogen-bonded Turntrans-88.72.8177.8-61.3-172.9177.8-145.2-1.6114.9N156N156-R158 PolarHBondContact O-N 3.47Å
159G95.3Very high96.3Very high29 Ų2959.7 Ų59.730%0.29929%0.286SS..EExtended strand (participates in β ladder)trans113.2-159.7-17600000113.9F155 N156 K161F155-G159 WeakPolarHBondContact CA-O 3.22Å; N156-G159 PolarHBondContact N-O 3.15Å; N156-G159 PolarHBondContact O-N 2.9Å; N156-G159 VanDerWaalsContact O-O 3.14Å; G159-K161 PolarHBondContact O-N 3.16Å
160S96.3Very high96.3Very high13 Ų1357.2 Ų57.29%0.09127%0.273CS..EExtended strand (participates in β ladder)trans-59.5137-176.2173.70000111.7F131 G162F131-S160 WeakPolarHBondContact CD1-O 3.44Å; F131-S160 VanDerWaalsContact O-CB 3.31Å; F131-S160 WeakPolarHBondContact O-CB 3.17Å; S160-G162 PolarHBondContact O-N 3.02Å; S160-G162 PolarHBondContact OG-N 3.37Å
161K97.1Very high96.3Very high123 Ų12355.8 Ų55.854%0.53527%0.268SS..EExtended strand (participates in β ladder)trans-80.93.7176.7-160172.5169.1-163.80112.8I154 G159 F163I154-K161 HydrophobicContact CG2-CB 4.34Å; I154-K161 HydrophobicContact CG2-CD 4.16Å; I154-K161 WeakPolarHBondContact O-CB 3.48Å; I154-K161 PolarHBondContact O-N 3.5Å; G159-K161 PolarHBondContact O-N 3.16Å; K161-F163 VanDerWaalsContact C-N 3.34Å; K161-F163 HydrophobicContact CB-CD1 4.19Å; K161-F163 HydrophobicContact CB-CE1 4.07Å; K161-F163 HydrophobicContact CD-CD1 4.36Å; K161-F163 HydrophobicContact CD-CE1 3.48Å; K161-F163 VanDerWaalsContact CD-CE1 3.48Å; K161-F163 HydrophobicContact CD-CZ 4.09Å; K161-F163 HydrophobicContact CG-CD1 4.11Å; K161-F163 HydrophobicContact CG-CE1 3.71Å
162G96.6Very high96.3Very high5 Ų557.1 Ų57.15%0.05228%0.281CS..EExtended strand (participates in β ladder)trans75.420.7178.200000114.1N128 I129 S160N128-G162 CarbonylContact C-O 3.56Å; N128-G162 WeakPolarHBondContact CA-O 2.97Å; N128-G162 PolarHBondContact N-O 3.28Å; I129-G162 PolarHBondContact N-O 2.94Å; I129-G162 VanDerWaalsContact N-O 3.08Å; I129-G162 WeakPolarHBondContact O-CA 3.36Å; S160-G162 PolarHBondContact O-N 3.02Å; S160-G162 PolarHBondContact OG-N 3.37Å
163F97.5Very high96.3Very high41 Ų4156.2 Ų56.218%0.1828%0.278CS..EExtended strand (participates in β ladder)trans-149.8161.6169.673.2-95.9000112H125 V126 I154 K161 F165H125-F163 AromaticContact CD2-CD2 3.78Å; H125-F163 AromaticContact NE2-CD2 3.37Å; H125-F163 WeakPolarHBondContact NE2-CD2 3.35Å; H125-F163 AromaticContact NE2-CE2 4Å; H125-F163 AromaticContact NE2-CG 3.73Å; V126-F163 CarbonylContact O-C 3.52Å; V126-F163 WeakPolarHBondContact O-CA 3.46Å; V126-F163 VanDerWaalsContact O-CB 3.27Å; V126-F163 WeakPolarHBondContact O-CB 3.28Å; I154-F163 HydrophobicContact CB-CD2 4.27Å; I154-F163 HydrophobicContact CB-CE2 3.8Å; I154-F163 HydrophobicContact CB-CZ 3.94Å; I154-F163 HydrophobicContact CG1-CD2 4.04Å; I154-F163 HydrophobicContact CG1-CE2 3.46Å; I154-F163 VanDerWaalsContact CG1-CE2 3.46Å; I154-F163 HydrophobicContact CG1-CZ 4.02Å; I154-F163 HydrophobicContact CG2-CE2 4.3Å; I154-F163 HydrophobicContact CG2-CZ 3.97Å; I154-F163 PolarHBondContact N-O 2.87Å; I154-F163 VanDerWaalsContact N-O 3.15Å; K161-F163 VanDerWaalsContact C-N 3.34Å; K161-F163 HydrophobicContact CB-CD1 4.19Å; K161-F163 HydrophobicContact CB-CE1 4.07Å; K161-F163 HydrophobicContact CD-CD1 4.36Å; K161-F163 HydrophobicContact CD-CE1 3.48Å; K161-F163 VanDerWaalsContact CD-CE1 3.48Å; K161-F163 HydrophobicContact CD-CZ 4.09Å; K161-F163 HydrophobicContact CG-CD1 4.11Å; K161-F163 HydrophobicContact CG-CE1 3.71Å; F163-F165 HydrophobicContact CE2-CE2 4.15Å; F163-F165 HydrophobicContact CE2-CZ 4.25Å
164G96.9Very high96.2Very high0 Ų055.3 Ų55.30%027%0.273CS..EExtended strand (participates in β ladder)trans-152.9-169.6174.200000112.5V126 E152V126-G164 PolarHBondContact N-O 3.37Å; V126-G164 PolarHBondContact O-N 3.43Å; E152-G164 CarbonylContact O-C 3.37Å; E152-G164 WeakPolarHBondContact O-CA 3.07Å
165F97.6Very high96.2Very high34 Ų3455 Ų5515%0.14927%0.272CS..EExtended strand (participates in β ladder)trans-132.2142.2177.8-58-83.2000109.9R123 L124 H125 V151 E152 I154 F163 A196R123-F165 HydrophobicContact CG-CB 4.17Å; R123-F165 VanDerWaalsContact NH1-CD2 3.28Å; L124-F165 CarbonylContact O-C 3.59Å; L124-F165 WeakPolarHBondContact O-CA 3.38Å; H125-F165 HydrophobicContact CB-CD1 3.96Å; H125-F165 HydrophobicContact CB-CE1 3.89Å; H125-F165 AromaticContact CD2-CE1 3.61Å; H125-F165 AromaticContact CD2-CZ 3.98Å; V151-F165 WeakPolarHBondContact CA-O 3.39Å; E152-F165 PolarHBondContact N-O 2.63Å; E152-F165 PolarHBondContact O-N 3.17Å; I154-F165 HydrophobicContact CD1-CD2 4.36Å; I154-F165 HydrophobicContact CD1-CE2 4.03Å; I154-F165 HydrophobicContact CG1-CD2 4.31Å; I154-F165 HydrophobicContact CG1-CE2 3.84Å; F163-F165 HydrophobicContact CE2-CE2 4.15Å; F163-F165 HydrophobicContact CE2-CZ 4.25Å; F165-A196 HydrophobicContact CD1-CB 3.74Å; F165-A196 HydrophobicContact CE1-CB 4Å
166V97.4Very high96.3Very high0 Ų055.3 Ų55.30%027%0.27CS..EExtended strand (participates in β ladder)trans-124.9124.3175.5179.60000107.9R123 L124 V126 L138 F142 I148 V151 F168R123-V166 WeakPolarHBondContact CA-O 3.28Å; L124-V166 PolarHBondContact N-O 2.86Å; L124-V166 PolarHBondContact O-N 2.66Å; V126-V166 HydrophobicContact CG2-CG2 4.08Å; L138-V166 HydrophobicContact CB-CG2 4.35Å; L138-V166 HydrophobicContact CD1-CG2 4.34Å; F142-V166 HydrophobicContact CB-CG1 4.17Å; F142-V166 HydrophobicContact CD1-CG1 4.46Å; F142-V166 HydrophobicContact CD2-CG2 4.24Å; F142-V166 HydrophobicContact CG-CG1 4.34Å; F142-V166 HydrophobicContact CG-CG2 4.25Å; I148-V166 HydrophobicContact CD1-CG1 3.96Å; I148-V166 HydrophobicContact CG1-CG1 3.94Å; I148-V166 HydrophobicContact CG2-CG1 3.89Å; V151-V166 HydrophobicContact CG1-CG2 4.4Å; V151-V166 HydrophobicContact CG2-CG1 4.49Å; V166-F168 HydrophobicContact CG1-CD2 4.09Å; V166-F168 HydrophobicContact CG1-CE2 3.78Å; V166-F168 HydrophobicContact CG1-CZ 4.43Å
167T96.2Very high96.3Very high21 Ų2150.4 Ų50.413%0.12924%0.244CC..EExtended strand (participates in β ladder)trans-105.6108.8179.4-48.30000109.3R123 L149 D150R123-T167 PolarHBondContact NE-OG1 2.81Å; L149-T167 PolarHBondContact N-O 2.84Å; D150-T167 PolarHBondContact N-O 3.41Å; D150-T167 PolarHBondContact O-N 2.8Å; D150-T167 PolarHBondContact OD2-OG1 2.82Å
168F97.1Very high96.4Very high0 Ų044.3 Ų44.30%021%0.213CC..EExtended strand (participates in β ladder)trans-82153.6172.7-75.9-95.1000111.5P121 K122 L124 F142 F145 K147 I148 V166 D173 A174 A177P121-F168 CarbonylContact C-O 3.5Å; P121-F168 WeakPolarHBondContact CA-O 3.39Å; P121-F168 VanDerWaalsContact CB-O 3.31Å; P121-F168 WeakPolarHBondContact CB-O 3.35Å; K122-F168 PolarHBondContact N-O 2.99Å; K122-F168 PolarHBondContact O-N 2.82Å; L124-F168 HydrophobicContact CD1-CD2 4.19Å; L124-F168 HydrophobicContact CD1-CE2 3.77Å; F142-F168 HydrophobicContact CB-CE2 4.39Å; F142-F168 HydrophobicContact CB-CZ 3.87Å; F142-F168 AromaticContact CD1-CE2 3.94Å; F142-F168 HydrophobicContact CD1-CE2 3.94Å; F142-F168 AromaticContact CD1-CZ 3.99Å; F142-F168 HydrophobicContact CD1-CZ 3.99Å; F142-F168 HydrophobicContact CG-CZ 4.44Å; F145-F168 HydrophobicContact CB-CE1 4.38Å; K147-F168 WeakPolarHBondContact O-CA 3.1Å; I148-F168 HydrophobicContact CG1-CD1 4.32Å; I148-F168 HydrophobicContact CG1-CE1 4.1Å; I148-F168 HydrophobicContact CG1-CZ 4.37Å; V166-F168 HydrophobicContact CG1-CD2 4.09Å; V166-F168 HydrophobicContact CG1-CE2 3.78Å; V166-F168 HydrophobicContact CG1-CZ 4.43Å; F168-D173 HydrophobicContact CD1-CB 4.02Å; F168-D173 HydrophobicContact CE1-CB 4.47Å; F168-A174 HydrophobicContact CB-CB 4.04Å; F168-A174 HydrophobicContact CD2-CB 3.64Å; F168-A174 HydrophobicContact CE2-CB 4.32Å; F168-A174 HydrophobicContact CG-CB 3.97Å; F168-A177 HydrophobicContact CE1-CB 4.45Å; F168-A177 HydrophobicContact CE2-CB 3.94Å; F168-A177 HydrophobicContact CZ-CB 3.57Å
169E95.6Very high96.5Very high64 Ų6438.3 Ų38.330%0.29920%0.195SC..SBendtrans-69.9-35.7171.1-178.5163.8-122.600113P121 K147 L149P121-E169 WeakPolarHBondContact CA-O 3.43Å; K147-E169 HydrophobicContact CB-CB 4.34Å; K147-E169 WeakPolarHBondContact CB-OE2 3.39Å; K147-E169 WeakPolarHBondContact CD-OE2 3.37Å; K147-E169 WeakPolarHBondContact CE-OE2 3.35Å; K147-E169 HydrophobicContact CG-CB 4.44Å; K147-E169 VanDerWaalsContact CG-OE2 3.3Å; K147-E169 WeakPolarHBondContact CG-OE2 3.45Å; K147-E169 IonicContact NZ-OE1 2.68Å; K147-E169 PolarHBondContact NZ-OE1 2.83Å; K147-E169 IonicContact NZ-OE2 2.7Å; K147-E169 PolarHBondContact NZ-OE2 3.11Å; K147-E169 PolarHBondContact O-N 3.21Å; L149-E169 HydrophobicContact CD1-CB 4.28Å; L149-E169 HydrophobicContact CD2-CB 3.98Å; L149-E169 HydrophobicContact CD2-CG 4.34Å; L149-E169 HydrophobicContact CG-CB 4Å
170N95.3Very high96.6Very high34 Ų3444 Ų4418%0.18221%0.212CC..SBendtrans-116.7138.8-178.5-179.325.5000111.4K118 D173 A174K118-N170 PolarHBondContact O-OD1 2.88Å; N170-D173 HydrophobicContact CB-CB 4.26Å; N170-D173 PolarHBondContact ND2-OD1 2.89Å; N170-A174 PolarHBondContact O-N 3.27Å
171S94.9Very high96.6Very high36 Ų3644 Ų4425%0.25221%0.211SC..Hα-helixtrans-67.2-44.1-178.855.80000113Q120 D173 A174 D175Q120-S171 PolarHBondContact O-N 3.14Å; S171-D173 VanDerWaalsContact C-N 3.25Å; S171-D173 PolarHBondContact O-N 3.1Å; S171-A174 WeakPolarHBondContact O-CB 3.49Å; S171-A174 PolarHBondContact O-N 3.27Å; S171-D175 PolarHBondContact O-N 2.93Å
172A95.8Very high96.6Very high45 Ų4542.6 Ų42.637%0.37221%0.206SC..Hα-helixtrans-64.5-30.5-179.500000112.6D175 R176A172-D175 PolarHBondContact O-N 2.86Å; A172-R176 WeakPolarHBondContact O-CG 3.46Å; A172-R176 PolarHBondContact O-N 3.31Å; A172-R176 VanDerWaalsContact O-N 3.15Å; A172-R176 PolarHBondContact O-NH1 3Å
173D96.3Very high96.6Very high25 Ų2543.4 Ų43.413%0.13421%0.214CC..Hα-helixtrans-69.2-39.1177.2-62.82000111.2G146 F168 N170 S171 R176 A177G146-D173 WeakPolarHBondContact CA-OD2 3.3Å; F168-D173 HydrophobicContact CD1-CB 4.02Å; F168-D173 HydrophobicContact CE1-CB 4.47Å; N170-D173 HydrophobicContact CB-CB 4.26Å; N170-D173 PolarHBondContact ND2-OD1 2.89Å; S171-D173 VanDerWaalsContact C-N 3.25Å; S171-D173 PolarHBondContact O-N 3.1Å; D173-R176 PolarHBondContact O-N 3.08Å; D173-R176 IonicContact OD1-CZ 3.19Å; D173-R176 IonicContact OD1-NH1 2.79Å; D173-R176 PolarHBondContact OD1-NH1 3.35Å; D173-R176 IonicContact OD1-NH2 2.72Å; D173-R176 PolarHBondContact OD1-NH2 2.88Å; D173-R176 IonicContact OD2-NH2 3.96Å; D173-A177 WeakPolarHBondContact O-CB 3.47Å; D173-A177 PolarHBondContact O-N 2.81Å
174A96.1Very high96.6Very high0 Ų043.7 Ų43.70%022%0.22CC..Hα-helixtrans-65.8-37.5175.200000112.5K122 L124 F168 N170 S171 A177 R178K122-A174 HydrophobicContact CB-CB 3.89Å; K122-A174 HydrophobicContact CD-CB 4Å; K122-A174 HydrophobicContact CG-CB 3.81Å; L124-A174 HydrophobicContact CD1-CB 4.1Å; L124-A174 WeakPolarHBondContact CD1-O 3.4Å; L124-A174 HydrophobicContact CD2-CB 4.01Å; L124-A174 HydrophobicContact CG-CB 4.02Å; F168-A174 HydrophobicContact CB-CB 4.04Å; F168-A174 HydrophobicContact CD2-CB 3.64Å; F168-A174 HydrophobicContact CE2-CB 4.32Å; F168-A174 HydrophobicContact CG-CB 3.97Å; N170-A174 PolarHBondContact O-N 3.27Å; S171-A174 WeakPolarHBondContact O-CB 3.49Å; S171-A174 PolarHBondContact O-N 3.27Å; A174-A177 PolarHBondContact O-N 3.11Å; A174-R178 VanDerWaalsContact O-CB 3.28Å; A174-R178 WeakPolarHBondContact O-CB 3.46Å; A174-R178 PolarHBondContact O-N 2.87Å
175D96.3Very high96.6Very high35 Ų3548.6 Ų48.619%0.18725%0.249CC..Hα-helixtrans-67.1-44.2175-70.6-58.4000111.7K122 S171 A172 A177 R178 E179K122-D175 IonicContact NZ-OD1 3.1Å; K122-D175 PolarHBondContact NZ-OD1 2.99Å; K122-D175 IonicContact NZ-OD2 3.11Å; K122-D175 PolarHBondContact NZ-OD2 3.02Å; S171-D175 PolarHBondContact O-N 2.93Å; A172-D175 PolarHBondContact O-N 2.86Å; D175-A177 VanDerWaalsContact C-N 3.34Å; D175-A177 PolarHBondContact O-N 2.93Å; D175-R178 WeakPolarHBondContact O-CB 3.31Å; D175-R178 PolarHBondContact O-N 2.78Å; D175-R178 IonicContact OD1-CZ 3.11Å; D175-R178 IonicContact OD1-NE 3.76Å; D175-R178 IonicContact OD1-NH1 3.16Å; D175-R178 PolarHBondContact OD1-NH1 2.9Å; D175-R178 VanDerWaalsContact OD1-NH1 3.16Å; D175-R178 IonicContact OD1-NH2 3.15Å; D175-R178 PolarHBondContact OD1-NH2 2.95Å; D175-R178 VanDerWaalsContact OD1-NH2 3.15Å; D175-E179 WeakPolarHBondContact O-CB 3.46Å; D175-E179 WeakPolarHBondContact O-CG 3.18Å; D175-E179 PolarHBondContact O-N 2.74Å
176R97.2Very high96.5Very high112 Ų11248 Ų4842%0.42325%0.249SC..Hα-helixtrans-58.2-45172.7-66.8-167.6-48.1-83.97.2111.8F145 A172 D173 E179 K180F145-R176 PolarHBondContact O-NH2 2.83Å; A172-R176 WeakPolarHBondContact O-CG 3.46Å; A172-R176 PolarHBondContact O-N 3.31Å; A172-R176 VanDerWaalsContact O-N 3.15Å; A172-R176 PolarHBondContact O-NH1 3Å; D173-R176 PolarHBondContact O-N 3.08Å; D173-R176 IonicContact OD1-CZ 3.19Å; D173-R176 IonicContact OD1-NH1 2.79Å; D173-R176 PolarHBondContact OD1-NH1 3.35Å; D173-R176 IonicContact OD1-NH2 2.72Å; D173-R176 PolarHBondContact OD1-NH2 2.88Å; D173-R176 IonicContact OD2-NH2 3.96Å; R176-E179 PolarHBondContact O-N 2.82Å; R176-K180 WeakPolarHBondContact O-CB 3.32Å; R176-K180 WeakPolarHBondContact O-CG 3.37Å; R176-K180 PolarHBondContact O-N 2.8Å
177A97.1Very high96.3Very high0 Ų054.8 Ų54.80%028%0.28CS..Hα-helixtrans-62.5-44.3177.700000111.9L124 F142 F145 F168 D173 A174 D175 K180 L181L124-A177 HydrophobicContact CD1-CB 4.29Å; F142-A177 HydrophobicContact CD1-CB 4.03Å; F142-A177 HydrophobicContact CE1-CB 4.49Å; F145-A177 HydrophobicContact CB-CB 3.72Å; F145-A177 HydrophobicContact CD2-CB 3.67Å; F145-A177 HydrophobicContact CE2-CB 4.5Å; F145-A177 HydrophobicContact CG-CB 3.73Å; F168-A177 HydrophobicContact CE1-CB 4.45Å; F168-A177 HydrophobicContact CE2-CB 3.94Å; F168-A177 HydrophobicContact CZ-CB 3.57Å; D173-A177 WeakPolarHBondContact O-CB 3.47Å; D173-A177 PolarHBondContact O-N 2.81Å; A174-A177 PolarHBondContact O-N 3.11Å; D175-A177 VanDerWaalsContact C-N 3.34Å; D175-A177 PolarHBondContact O-N 2.93Å; A177-K180 PolarHBondContact O-N 2.98Å; A177-L181 VanDerWaalsContact O-CB 3.28Å; A177-L181 WeakPolarHBondContact O-CB 3.41Å; A177-L181 PolarHBondContact O-N 2.96Å
178R97.5Very high96.3Very high66 Ų6657.2 Ų57.225%0.24931%0.309CS..Hα-helixtrans-57.5-52174.8177-16566.7-177.70.1111.2L124 A174 D175 K180 L181 H182 V193 N195L124-R178 HydrophobicContact CD1-CB 4.36Å; L124-R178 HydrophobicContact CD2-CB 4.35Å; A174-R178 VanDerWaalsContact O-CB 3.28Å; A174-R178 WeakPolarHBondContact O-CB 3.46Å; A174-R178 PolarHBondContact O-N 2.87Å; D175-R178 WeakPolarHBondContact O-CB 3.31Å; D175-R178 PolarHBondContact O-N 2.78Å; D175-R178 IonicContact OD1-CZ 3.11Å; D175-R178 IonicContact OD1-NE 3.76Å; D175-R178 IonicContact OD1-NH1 3.16Å; D175-R178 PolarHBondContact OD1-NH1 2.9Å; D175-R178 VanDerWaalsContact OD1-NH1 3.16Å; D175-R178 IonicContact OD1-NH2 3.15Å; D175-R178 PolarHBondContact OD1-NH2 2.95Å; D175-R178 VanDerWaalsContact OD1-NH2 3.15Å; R178-K180 VanDerWaalsContact C-N 3.3Å; R178-K180 PolarHBondContact O-N 3.44Å; R178-L181 PolarHBondContact O-N 3.1Å; R178-H182 WeakPolarHBondContact O-CB 3.5Å; R178-H182 PolarHBondContact O-N 3.03Å; R178-V193 HydrophobicContact CB-CB 4.49Å; R178-V193 HydrophobicContact CB-CG1 3.97Å; R178-V193 HydrophobicContact CG-CB 4.31Å; R178-V193 HydrophobicContact CG-CG1 4.12Å; R178-N195 PolarHBondContact NH1-OD1 3.02Å
179E96.6Very high96.3Very high121 Ų12161 Ų6157%0.56532%0.323SS*.Hα-helixtrans-67.8-26.7-176.2-75.2152.8-148.300113.8D175 R176D175-E179 WeakPolarHBondContact O-CB 3.46Å; D175-E179 WeakPolarHBondContact O-CG 3.18Å; D175-E179 PolarHBondContact O-N 2.74Å; R176-E179 PolarHBondContact O-N 2.82Å
180K96.8Very high96.4Very high149 Ų14964.1 Ų64.165%0.64834%0.336SS*.Hα-helixtrans-91.1-27.6177.4-65.3-59.6-175.1-174.50114.3F145 R176 A177 R178 T184F145-K180 HydrophobicContact CE1-CB 3.65Å; F145-K180 HydrophobicContact CE1-CG 3.86Å; F145-K180 HydrophobicContact CZ-CB 3.67Å; F145-K180 HydrophobicContact CZ-CG 4.39Å; R176-K180 WeakPolarHBondContact O-CB 3.32Å; R176-K180 WeakPolarHBondContact O-CG 3.37Å; R176-K180 PolarHBondContact O-N 2.8Å; A177-K180 PolarHBondContact O-N 2.98Å; R178-K180 VanDerWaalsContact C-N 3.3Å; R178-K180 PolarHBondContact O-N 3.44Å; K180-T184 VanDerWaalsContact O-CG2 3.24Å; K180-T184 WeakPolarHBondContact O-CG2 3.37Å
181L96.8Very high96.5Very high13 Ų1362.5 Ų62.57%0.06833%0.328CS..Hα-helixtrans-102.5-23-177.6-65.4-179.8000114.3M141 F142 F145 A177 R178 G183 T184 I191 V193M141-L181 HydrophobicContact CE-CD1 4.13Å; M141-L181 HydrophobicContact CE-CD2 3.77Å; M141-L181 HydrophobicContact CE-CG 4.48Å; F142-L181 HydrophobicContact CD1-CD1 3.68Å; F142-L181 HydrophobicContact CD2-CD1 3.85Å; F142-L181 HydrophobicContact CE1-CD1 3.54Å; F142-L181 HydrophobicContact CE2-CD1 3.7Å; F142-L181 HydrophobicContact CG-CD1 3.83Å; F142-L181 HydrophobicContact CZ-CB 4.47Å; F142-L181 HydrophobicContact CZ-CD1 3.54Å; F145-L181 HydrophobicContact CD2-CD1 4.28Å; F145-L181 HydrophobicContact CE2-CD1 3.71Å; F145-L181 HydrophobicContact CE2-CD2 4.06Å; F145-L181 HydrophobicContact CE2-CG 3.7Å; F145-L181 HydrophobicContact CZ-CD2 4.35Å; F145-L181 HydrophobicContact CZ-CG 4.18Å; A177-L181 VanDerWaalsContact O-CB 3.28Å; A177-L181 WeakPolarHBondContact O-CB 3.41Å; A177-L181 PolarHBondContact O-N 2.96Å; R178-L181 PolarHBondContact O-N 3.1Å; L181-G183 PolarHBondContact O-N 3.24Å; L181-T184 WeakPolarHBondContact O-CB 3.39Å; L181-T184 PolarHBondContact O-N 3.47Å; L181-T184 VanDerWaalsContact O-N 3.11Å; L181-T184 PolarHBondContact O-OG1 2.74Å; L181-I191 HydrophobicContact CB-CD1 4.31Å; L181-V193 HydrophobicContact CB-CG2 3.87Å
182H97.6Very high96.6Very high93 Ų9364.9 Ų64.943%0.43134%0.335SS..THydrogen-bonded Turntrans-59.6122.3176.5-177.4110.1000110.5R178 T184 V193R178-H182 WeakPolarHBondContact O-CB 3.5Å; R178-H182 PolarHBondContact O-N 3.03Å; H182-T184 VanDerWaalsContact C-N 3.32Å; H182-T184 PolarHBondContact O-N 3.34Å; H182-V193 HydrophobicContact CB-CB 4.18Å; H182-V193 PolarHBondContact ND1-N 2.78Å; H182-V193 PolarHBondContact ND1-O 3.17Å
183G96.6Very high96.7Very high23 Ų2362.8 Ų62.824%0.23732%0.317CS..THydrogen-bonded Turntrans80.75.1178.900000115.4L181 K190 I191L181-G183 PolarHBondContact O-N 3.24Å; G183-K190 WeakPolarHBondContact O-CE 3.45Å; G183-K190 WeakPolarHBondContact O-CG 3.15Å; G183-I191 VanDerWaalsContact CA-O 3.22Å; G183-I191 WeakPolarHBondContact CA-O 3.27Å; G183-I191 PolarHBondContact N-O 3.35Å
184T96.9Very high96.8Very high47 Ų4765 Ų6529%0.28833%0.329SS..  trans-70.8157.3170.159.30000111.7K180 L181 H182 K190 I191K180-T184 VanDerWaalsContact O-CG2 3.24Å; K180-T184 WeakPolarHBondContact O-CG2 3.37Å; L181-T184 WeakPolarHBondContact O-CB 3.39Å; L181-T184 PolarHBondContact O-N 3.47Å; L181-T184 VanDerWaalsContact O-N 3.11Å; L181-T184 PolarHBondContact O-OG1 2.74Å; H182-T184 VanDerWaalsContact C-N 3.32Å; H182-T184 PolarHBondContact O-N 3.34Å; T184-K190 CarbonylContact O-C 3.5Å; T184-K190 WeakPolarHBondContact O-CA 3.17Å; T184-I191 WeakPolarHBondContact O-CG1 3.43Å; T184-I191 PolarHBondContact O-N 3.5Å; T184-I191 WeakPolarHBondContact OG1-CG1 3.17Å
185V96.9Very high96.8Very high102 Ų10269.1 Ų69.162%0.61835%0.351SS*.EExtended strand (participates in β ladder)trans-105.8123.8-179.2-178.40000110.3R189 K190V185-R189 CarbonylContact C-O 3.58Å; V185-R189 WeakPolarHBondContact CA-O 3.21Å; V185-K190 HydrophobicContact CG2-CB 4.42Å
186V95.2Very high96.7Very high23 Ų2368.3 Ų68.314%0.13935%0.35CS..EExtended strand (participates in β ladder)trans-130.3122-175.1-175.40000108.7F133 M141 G188 R189 I191F133-V186 HydrophobicContact CE1-CG1 4.08Å; F133-V186 HydrophobicContact CE2-CG1 4.14Å; F133-V186 HydrophobicContact CZ-CG1 3.41Å; F133-V186 VanDerWaalsContact CZ-CG1 3.41Å; M141-V186 HydrophobicContact CE-CG2 3.77Å; M141-V186 HydrophobicContact SD-CG1 4.08Å; M141-V186 HydrophobicContact SD-CG2 3.99Å; V186-G188 PolarHBondContact O-N 3.35Å; V186-G188 VanDerWaalsContact O-N 3.14Å; V186-R189 PolarHBondContact N-O 3.15Å; V186-R189 WeakPolarHBondContact O-CB 3.33Å; V186-R189 PolarHBondContact O-N 2.97Å; V186-I191 HydrophobicContact CB-CG2 3.97Å; V186-I191 HydrophobicContact CG2-CD1 4.11Å; V186-I191 HydrophobicContact CG2-CG1 4.08Å; V186-I191 HydrophobicContact CG2-CG2 3.89Å
187E94.3Very high96.3Very high141 Ų14169.2 Ų69.266%0.65937%0.368SS*.THydrogen-bonded Turntrans47.138.5-170.8-54.6-169.7151.100113.3P130 F133 R189P130-E187 HydrophobicContact CB-CB 4.48Å; P130-E187 WeakPolarHBondContact CB-OE2 3.21Å; P130-E187 HydrophobicContact CG-CB 3.76Å; P130-E187 HydrophobicContact CG-CG 3.93Å; P130-E187 WeakPolarHBondContact CG-OE2 3.43Å; F133-E187 HydrophobicContact CE2-CG 4.37Å; E187-R189 VanDerWaalsContact C-N 3.27Å; E187-R189 PolarHBondContact O-N 2.79Å
188G95.8Very high95.4Very high72 Ų7273 Ų7374%0.74240%0.399SS*.THydrogen-bonded Turntrans77.50.7-177.200000115.6V186V186-G188 PolarHBondContact O-N 3.35Å; V186-G188 VanDerWaalsContact O-N 3.14Å
189R96.8Very high94.4Very high79 Ų7976.3 Ų76.330%0.29841%0.412SS..EExtended strand (participates in β ladder)trans-102.1128.2177.1-53.3-178.870.8109.32.3110.7N128 V185 V186 E187 I191N128-R189 WeakPolarHBondContact O-CB 3.31Å; N128-R189 PolarHBondContact O-NE 3.37Å; N128-R189 PolarHBondContact OD1-NE 2.83Å; N128-R189 PolarHBondContact OD1-NH2 3.27Å; V185-R189 CarbonylContact C-O 3.58Å; V185-R189 WeakPolarHBondContact CA-O 3.21Å; V186-R189 PolarHBondContact N-O 3.15Å; V186-R189 WeakPolarHBondContact O-CB 3.33Å; V186-R189 PolarHBondContact O-N 2.97Å; E187-R189 VanDerWaalsContact C-N 3.27Å; E187-R189 PolarHBondContact O-N 2.79Å; R189-I191 PolarHBondContact O-N 3.2Å
190K97.6Very high93.2Very high130 Ų13077.3 Ų77.357%0.56543%0.426SS*.EExtended strand (participates in β ladder)trans-73106.4171.4-173.8178-179.3-178.20109.5N128 G183 T184 V185N128-K190 WeakPolarHBondContact CB-O 3.37Å; N128-K190 PolarHBondContact ND2-O 3.47Å; G183-K190 WeakPolarHBondContact O-CE 3.45Å; G183-K190 WeakPolarHBondContact O-CG 3.15Å; T184-K190 CarbonylContact O-C 3.5Å; T184-K190 WeakPolarHBondContact O-CA 3.17Å; V185-K190 HydrophobicContact CG2-CB 4.42Å
191I97.8Very high91.6Very high1 Ų178 Ų781%0.00543%0.433CS..  trans-78.6156.3178.767156.1000111.1S127 I129 M141 L181 G183 T184 V186 R189 V193S127-I191 WeakPolarHBondContact O-CA 3.4Å; I129-I191 HydrophobicContact CG2-CG2 3.95Å; M141-I191 HydrophobicContact CE-CD1 3.69Å; L181-I191 HydrophobicContact CB-CD1 4.31Å; G183-I191 VanDerWaalsContact CA-O 3.22Å; G183-I191 WeakPolarHBondContact CA-O 3.27Å; G183-I191 PolarHBondContact N-O 3.35Å; T184-I191 WeakPolarHBondContact O-CG1 3.43Å; T184-I191 PolarHBondContact O-N 3.5Å; T184-I191 WeakPolarHBondContact OG1-CG1 3.17Å; V186-I191 HydrophobicContact CB-CG2 3.97Å; V186-I191 HydrophobicContact CG2-CD1 4.11Å; V186-I191 HydrophobicContact CG2-CG1 4.08Å; V186-I191 HydrophobicContact CG2-CG2 3.89Å; R189-I191 PolarHBondContact O-N 3.2Å; I191-V193 HydrophobicContact CD1-CG2 4.43Å
192E97.6Very high89.9Confident86 Ų8683.1 Ų83.140%0.40247%0.465SS..EExtended strand (participates in β ladder)trans-125.1136.9178.3-65.8169.6162.300109V126 S127V126-E192 CarbonylContact C-O 3.6Å; V126-E192 WeakPolarHBondContact CA-O 3.27Å; S127-E192 PolarHBondContact N-O 3.01Å; S127-E192 PolarHBondContact O-N 2.9Å; S127-E192 WeakPolarHBondContact OG-CB 3.09Å; S127-E192 PolarHBondContact OG-OE2 2.75Å
193V97.9Very high87.9Confident0 Ų085.3 Ų85.30%048%0.48CS..EExtended strand (participates in β ladder)trans-123.2123.8175.1-169.80000109L124 H125 V126 F142 R178 L181 H182 I191L124-V193 HydrophobicContact CB-CG1 4.07Å; L124-V193 HydrophobicContact CD1-CG1 3.74Å; L124-V193 HydrophobicContact CG-CG1 4.34Å; H125-V193 WeakPolarHBondContact O-CA 3.5Å; V126-V193 HydrophobicContact CG1-CG2 4.37Å; F142-V193 HydrophobicContact CE1-CG1 4.07Å; F142-V193 HydrophobicContact CE1-CG2 4.14Å; F142-V193 HydrophobicContact CZ-CG1 4.43Å; F142-V193 HydrophobicContact CZ-CG2 3.83Å; R178-V193 HydrophobicContact CB-CB 4.49Å; R178-V193 HydrophobicContact CB-CG1 3.97Å; R178-V193 HydrophobicContact CG-CB 4.31Å; R178-V193 HydrophobicContact CG-CG1 4.12Å; L181-V193 HydrophobicContact CB-CG2 3.87Å; H182-V193 HydrophobicContact CB-CB 4.18Å; H182-V193 PolarHBondContact ND1-N 2.78Å; H182-V193 PolarHBondContact ND1-O 3.17Å; I191-V193 HydrophobicContact CD1-CG2 4.43Å
194N97.2Very high86Confident71 Ų7192.6 Ų92.638%0.3851%0.505SS..EExtended strand (participates in β ladder)trans-131.9162.8-177.9-74.6-50.9000110L124 H125 A196L124-N194 CarbonylContact C-O 3.56Å; L124-N194 WeakPolarHBondContact CA-O 3.48Å; H125-N194 PolarHBondContact N-O 3.46Å; H125-N194 PolarHBondContact O-N 3.06Å; N194-A196 PolarHBondContact O-N 3.09Å
195N96.3Very high84Confident87 Ų8799 Ų9947%0.46553%0.529SS..EExtended strand (participates in β ladder)trans-64.6133169.4-64.823.4000108.7R178R178-N195 PolarHBondContact NH1-OD1 3.02Å
196A94.3Very high82.1Confident19 Ų1999.8 Ų99.816%0.15753%0.534CS..PPolyproline II helixtrans-76.7141.3175.200000110.8R123 H125 F165 N194 A198R123-A196 HydrophobicContact CB-CB 3.94Å; R123-A196 HydrophobicContact CG-CB 3.75Å; R123-A196 WeakPolarHBondContact O-CB 3.24Å; R123-A196 PolarHBondContact O-N 3.01Å; H125-A196 HydrophobicContact CB-CB 4.21Å; F165-A196 HydrophobicContact CD1-CB 3.74Å; F165-A196 HydrophobicContact CE1-CB 4Å; N194-A196 PolarHBondContact O-N 3.09Å; A196-A198 PolarHBondContact O-N 2.67Å
197T88.3Confident80.3Confident131 Ų131103.8 Ų103.880%0.80456%0.558SS**PPolyproline II helixtrans-56.8126.7160.8-47.10000108.5R199T197-R199 PolarHBondContact O-N 2.76Å
198A78.1Confident78.6Confident80 Ų80102.2 Ų102.266%0.66155%0.554SS**PPolyproline II helixtrans-57.5134178.600000110.2A196 V200A196-A198 PolarHBondContact O-N 2.67Å; A198-V200 PolarHBondContact O-N 3.36Å
199R76.1Confident77Confident135 Ų135104 Ų10451%0.50955%0.553SS.*PPolyproline II helixtrans-63.9124.3167-79-172.6143.8162.9-0.4107.7E152 T197 M201E152-R199 IonicContact OE1-CZ 2.84Å; E152-R199 IonicContact OE1-NH1 3.8Å; E152-R199 PolarHBondContact OE1-NH1 3.41Å; E152-R199 IonicContact OE1-NH2 2.67Å; E152-R199 PolarHBondContact OE1-NH2 2.87Å; E152-R199 IonicContact OE2-CZ 2.8Å; E152-R199 IonicContact OE2-NE 3.5Å; E152-R199 IonicContact OE2-NH1 3.17Å; E152-R199 PolarHBondContact OE2-NH1 3.12Å; E152-R199 IonicContact OE2-NH2 3.09Å; E152-R199 PolarHBondContact OE2-NH2 3.3Å; E152-R199 VanDerWaalsContact OE2-NH2 3.09Å; T197-R199 PolarHBondContact O-N 2.76Å; R199-M201 PolarHBondContact O-N 3.27Å
200V72.6Confident74.9Confident142 Ų142110.7 Ų110.786%0.86158%0.58SS**  trans-7176.8169.6-1750000108.1A198 T202A198-V200 PolarHBondContact O-N 3.36Å; V200-T202 VanDerWaalsContact C-N 3.29Å; V200-T202 PolarHBondContact O-N 2.81Å
201M63.4Low73Confident162 Ų162109.3 Ų109.380%0.79858%0.582SS**  trans-64.397.8162-73.7-175.6168.600106.4R199 N203R199-M201 PolarHBondContact O-N 3.27Å; M201-N203 PolarHBondContact O-N 2.88Å
202T61.5Low70.5Confident121 Ų121115.6 Ų115.674%0.74262%0.616SS**  trans-63.691.9164.9179.30000107.2V200 K204V200-T202 VanDerWaalsContact C-N 3.29Å; V200-T202 PolarHBondContact O-N 2.81Å; T202-K204 PolarHBondContact O-N 3.49Å
203N55.3Low68.4Low139 Ų139114.6 Ų114.674%0.74363%0.629SS**  trans-72.579.3179.2-169.5-20000107.5M201 K205M201-N203 PolarHBondContact O-N 2.88Å; N203-K205 PolarHBondContact O-N 3.26Å; N203-K205 PolarHBondContact OD1-N 3.01Å
204K56.3Low66.1Low177 Ų177125.8 Ų125.877%0.7767%0.671SS**  trans-63.776158.8-79.1-168.666.4179.90107.6T202 T206T202-K204 PolarHBondContact O-N 3.49Å; K204-T206 VanDerWaalsContact C-N 3.31Å; K204-T206 PolarHBondContact O-N 3.35Å
205K55.5Low63.9Low182 Ų182131.3 Ų131.379%0.79169%0.692SS**  trans-55.3102.8159.8-173172.6-172.8175.10105.4N203 V207N203-K205 PolarHBondContact O-N 3.26Å; N203-K205 PolarHBondContact OD1-N 3.01Å; K205-V207 VanDerWaalsContact C-N 3.33Å; K205-V207 PolarHBondContact O-N 3.35Å
206T56.8Low61.7Low117 Ų117133.9 Ų133.972%0.71871%0.705SS**  trans-59.5100178.4-63.30000107.2K204 N208K204-T206 VanDerWaalsContact C-N 3.31Å; K204-T206 PolarHBondContact O-N 3.35Å; T206-N208 PolarHBondContact O-N 2.96Å; T206-N208 VanDerWaalsContact O-N 3.14Å; T206-N208 PolarHBondContact O-OD1 2.77Å
207V57.6Low59.4Low108 Ų108139.1 Ų139.166%0.65573%0.73SS**  trans-73.7107175.462.50000106.7K205 P209K205-V207 VanDerWaalsContact C-N 3.33Å; K205-V207 PolarHBondContact O-N 3.35Å; V207-P209 WeakPolarHBondContact O-CD 3.36Å; V207-P209 VanDerWaalsContact O-N 3.15Å
208N58.5Low57.7Low107 Ų107139.2 Ų139.257%0.57273%0.733SS**  trans-58.6119.3174.4-69.617.7000107.3T206 Y210 T211T206-N208 PolarHBondContact O-N 2.96Å; T206-N208 VanDerWaalsContact O-N 3.14Å; T206-N208 PolarHBondContact O-OD1 2.77Å; N208-Y210 PolarHBondContact O-N 2.76Å; N208-T211 PolarHBondContact O-N 2.79Å
209P60.7Low56.4Low111 Ų111141.1 Ų141.172%0.72174%0.736SS**THydrogen-bonded Turntrans-71.312.8-169.328.7-35.9000114.5V207V207-P209 WeakPolarHBondContact O-CD 3.36Å; V207-P209 VanDerWaalsContact O-N 3.15Å
210Y53.8Low55.2Low219 Ų219141.6 Ų141.686%0.85975%0.754SS**THydrogen-bonded Turntrans-118-6.8-175.9-70.2-77.4000114.2N208N208-Y210 PolarHBondContact O-N 2.76Å
211T56.8Low54Low101 Ų101138.9 Ų138.962%0.6275%0.754SS**SBendtrans-91.2-2.5-171.3-165.20000115.4N208N208-T211 PolarHBondContact O-N 2.79Å
212N46.1Very low53.3Low132 Ų132135.7 Ų135.771%0.70675%0.754SS**SBendtrans-139.5141.4168.3-60.9-76.7000107
213G53.2Low52.8Low65 Ų65136.4 Ų136.467%0.6776%0.758SS**  cis15336.67.500000110.3K215G213-K215 PolarHBondContact O-N 2.89Å
214W49.4Very low51.9Low236 Ų236139.8 Ų139.889%0.89476%0.762SS**  trans-71.279.5-177.4-71.9101.8000110.4L216W214-L216 PolarHBondContact O-N 2.82Å
215K50.9Low50.9Low187 Ų187137.1 Ų137.181%0.81377%0.765SS**  trans-70.374.7167.7-173.1-178.1174-178.20108.9G213 N217G213-K215 PolarHBondContact O-N 2.89Å; K215-N217 PolarHBondContact O-N 3.14Å
216L51.1Low50.4Low141 Ų141133.7 Ų133.774%0.73876%0.761SS**  trans-62.5120.1170.3-68.5174000108.4W214 P218W214-L216 PolarHBondContact O-N 2.82Å; L216-P218 WeakPolarHBondContact O-CD 3.43Å
217N45.4Very low49.7Very low128 Ų128134.6 Ų134.668%0.68476%0.758SS**  trans-74121.7171.2-65.2-36.5000108K215 V219K215-N217 PolarHBondContact O-N 3.14Å; N217-V219 VanDerWaalsContact C-N 3.25Å; N217-V219 PolarHBondContact O-N 2.81Å
218P53.6Low48.7Very low134 Ų134139.6 Ų139.687%0.8777%0.771SS**SBendtrans-82.565.7-174.633.9-36.1000111.9L216L216-P218 WeakPolarHBondContact O-CD 3.43Å
219V50.3Low47.7Very low119 Ų119144.1 Ų144.172%0.72178%0.781SS**SBendtrans-154.7157169.1116.50000109.6N217N217-V219 VanDerWaalsContact C-N 3.25Å; N217-V219 PolarHBondContact O-N 2.81Å
220V49.7Very low46.9Very low145 Ų145143.5 Ų143.588%0.87979%0.786SS**  trans54.256.3-172.7-660000115.8
221G47.3Very low46.1Very low85 Ų85139.2 Ų139.288%0.87678%0.782SS**  trans-119.546.4166.900000113.1
222A49.4Very low46.1Very low95 Ų95140.6 Ų140.679%0.78579%0.793SS**  trans-142.440.5-166.500000115.4
223V50.8Low45.5Very low137 Ų137137.9 Ų137.983%0.8380%0.796SS**SBendtrans-141.2144161.8172.40000108.7
224Y37.4Very low44.5Very low210 Ų210144.7 Ų144.782%0.82481%0.807SS**  trans72.781.8172.7-118.8-95.6000118
225S33.6Very low44.8Very low120 Ų120139.1 Ų139.184%0.83980%0.802SS**  trans-105.1135.7148.9-63.30000109.3
226P45.4Very low44.2Very low110 Ų110140.7 Ų140.771%0.71480%0.804SS**  trans-96.1118.8159.26.413.4000110.1
227E42.7Very low44.6Very low137 Ų137139.6 Ų139.664%0.6481%0.805SS**  trans-23.5128165.4-73.5-66.2157.200117.1Y229E227-Y229 VanDerWaalsContact OE2-CD2 3.31Å; E227-Y229 WeakPolarHBondContact OE2-CD2 3.46Å; E227-Y229 WeakPolarHBondContact OE2-CE2 3.35Å
228F36.5Very low44.2Very low213 Ų213138.3 Ų138.393%0.93481%0.813SS**  trans-144.6119.8137.6-91.5-69.8000110.2
229Y36.8Very low44Very low201 Ų201136.2 Ų136.279%0.78881%0.806SS**  trans-63.7146.2-173.5-96.1-124.8000113.9E227E227-Y229 VanDerWaalsContact OE2-CD2 3.31Å; E227-Y229 WeakPolarHBondContact OE2-CD2 3.46Å; E227-Y229 WeakPolarHBondContact OE2-CE2 3.35Å
230A44.9Very low43.4Very low98 Ų98137.3 Ų137.381%0.8181%0.814SS**  trans-109.8132.8164.300000110.7
231V36.2Very low42.8Very low129 Ų129134.8 Ų134.878%0.78281%0.808SS**  trans-139.8132.2168.9-177.80000108.3
232P58Low42.8Very low130 Ų130135.8 Ų135.884%0.84481%0.808SS**  trans-100.1160.7-167.637.9-36.3000115.3
233G33.3Very low42.3Very low75 Ų75135.8 Ų135.877%0.77381%0.808SS**  trans-170.9142.7170.500000114.1
234F32.3Very low42Very low209 Ų209134.1 Ų134.192%0.91781%0.809SS**  trans-91.6176.3177.3-59.5-97.5000111.4
235P54.5Low41.9Very low119 Ų119135 Ų13577%0.77381%0.812SS**  cis-131.4-171.3-6.526.8-2000115.1
236Y38.6Very low42Very low220 Ų220140.3 Ų140.386%0.86381%0.813SS**  trans-60.7176.4165.4-64.9-82.5000114
237P59.7Low41.5Very low118 Ų118138.2 Ų138.277%0.76681%0.812SS**  cis-142.3-168.211.944.8-25.8000117.7
238A38.2Very low41.2Very low101 Ų101136.5 Ų136.584%0.83582%0.821SS**  trans88151.4151.100000119.9
239A48.9Very low41.9Very low89 Ų89135.4 Ų135.474%0.73682%0.819SS**  trans-96.8160-169.800000113.1
240T36.7Very low42.3Very low143 Ų143134.3 Ų134.388%0.87783%0.825SS**  -169155.9127.513.70000114.1
241A37.2Very low42.5Very low91 Ų91141.7 Ų141.775%0.75283%0.832SS**  trans40.2118.1145.700000122.1
242A47.1Very low42.4Very low107 Ų107139 Ų13988%0.88483%0.831SS**  45.1107.8127.100000120.3
243A39.5Very low42Very low94 Ų94145.5 Ų145.578%0.77784%0.839SS**  trans-119.6113154.100000110Y245A243-Y245 PolarHBondContact O-N 3.32Å
244A44.3Very low42.1Very low103 Ų103145.1 Ų145.185%0.85184%0.835SS**  trans-78120177.700000110.7R246A244-R246 PolarHBondContact O-N 2.81Å
245Y35.3Very low42.5Very low229 Ų229146.6 Ų146.690%0.89884%0.835SS**  trans-75.394.7177.5-109-88.4000111.7A243 G247A243-Y245 PolarHBondContact O-N 3.32Å; Y245-G247 PolarHBondContact O-N 2.84Å
246R37Very low41.8Very low230 Ų230146.2 Ų146.287%0.86883%0.83SS**  trans-52.6127.4160.4173.9-164.9-87.2-109.36.2108.6A244A244-R246 PolarHBondContact O-N 2.81Å
247G34.5Very low41.9Very low67 Ų67141.7 Ų141.769%0.69183%0.825SS**  trans-64.2141.6177.100000113.1Y245Y245-G247 PolarHBondContact O-N 2.84Å
248A36.2Very low40.9Very low100 Ų100145.3 Ų145.383%0.82683%0.825SS**  trans-121.2136.8165.900000108.7
249H50Low40.9Very low191 Ų191146.2 Ų146.288%0.88482%0.816SS**  trans-83.8131.9-168.6-60.8-99.9000112.2
250L46.7Very low40.7Very low177 Ų177148.6 Ų148.693%0.92782%0.821SS**  trans-118.1133157.8-75178.2000110.9
251R48.4Very low41Very low253 Ų253150.1 Ų150.196%0.95582%0.816SS**  trans-104.294.4-166.7-176.2-169.1-155165.95.6108.9
252G33.9Very low41.2Very low74 Ų74157.4 Ų157.476%0.76382%0.824SS**  trans-141.5139.3-175.500000113.4
253R49.8Very low40.8Very low266 Ų266157.1 Ų157.1100%1.00482%0.822SS**  trans-67.1127.7-179.7-76.3173.8164.7167.6-6.6111.8
254G35.2Very low41.2Very low67 Ų67157 Ų15769%0.69182%0.821SS**  trans176108163.700000112.5T256G254-T256 PolarHBondContact O-N 3.41Å
255R41.4Very low41.3Very low240 Ų240156.4 Ų156.491%0.90682%0.816SS**  trans-85.184.2172.9-69.7-174.180.1-170.16.3110V257R255-V257 PolarHBondContact O-N 3.25Å
256T39.4Very low42.2Very low111 Ų111151.1 Ų151.168%0.68181%0.81SS**  trans-78.5102.5164.3390000109.6G254 Y258G254-T256 PolarHBondContact O-N 3.41Å; T256-Y258 VanDerWaalsContact C-N 3.31Å; T256-Y258 HydrophobicContact CG2-CE2 4.31Å; T256-Y258 PolarHBondContact O-N 3.11Å; T256-Y258 VanDerWaalsContact O-N 3.08Å
257V40.7Very low43Very low125 Ų125145.6 Ų145.676%0.75880%0.804SS**  trans-79.186.8167.1-177.20000107.7R255R255-V257 PolarHBondContact O-N 3.25Å
258Y37.8Very low44.3Very low193 Ų193147.8 Ų147.876%0.75781%0.805SS**  trans-73128.5167.3-91.2-85.1000109.5T256 T260T256-Y258 VanDerWaalsContact C-N 3.31Å; T256-Y258 HydrophobicContact CG2-CE2 4.31Å; T256-Y258 PolarHBondContact O-N 3.11Å; T256-Y258 VanDerWaalsContact O-N 3.08Å; Y258-T260 PolarHBondContact O-N 3.29Å
259N38.7Very low44.8Very low120 Ų120149 Ų14964%0.64281%0.805SS**  trans-60.4122.7171.5-117.926.8000109.3F261N259-F261 HydrophobicContact CB-CD2 3.91Å; N259-F261 HydrophobicContact CB-CE2 3.86Å; N259-F261 WeakPolarHBondContact ND2-CE2 3.31Å; N259-F261 PolarHBondContact O-N 2.92Å
260T44.2Very low44.5Very low140 Ų140147.5 Ų147.586%0.85980%0.802SS**  trans-77.563.6176.846.10000111.3Y258 R262Y258-T260 PolarHBondContact O-N 3.29Å; T260-R262 PolarHBondContact O-N 3.25Å
261F43.9Very low44.6Very low175 Ų175144.2 Ų144.277%0.76879%0.791SS**  trans-61.1109.3163.3-75.4-68.8000108.4N259 A263N259-F261 HydrophobicContact CB-CD2 3.91Å; N259-F261 HydrophobicContact CB-CE2 3.86Å; N259-F261 WeakPolarHBondContact ND2-CE2 3.31Å; N259-F261 PolarHBondContact O-N 2.92Å; F261-A263 PolarHBondContact O-N 2.97Å
262R41.4Very low44.2Very low244 Ų244136.9 Ų136.992%0.92179%0.785SS**  trans-67.794.2-178.6-170.6-179.3-160.8-1234.9109T260 A264T260-R262 PolarHBondContact O-N 3.25Å; R262-A264 PolarHBondContact O-N 2.96Å
263A38.3Very low44.3Very low101 Ų101144.4 Ų144.484%0.83579%0.792SS**  trans-59.1101.2176.700000110.2F261F261-A263 PolarHBondContact O-N 2.97Å
264A47.3Very low43.7Very low92 Ų92135.6 Ų135.676%0.7678%0.784SS**PPolyproline II helixtrans-69.6139.1164.300000108.5R262R262-A264 PolarHBondContact O-N 2.96Å
265A48.3Very low43.8Very low90 Ų90136 Ų13674%0.74479%0.788SS**PPolyproline II helixtrans-63.7144.417300000110
266P53.1Low43.8Very low118 Ų118131 Ų13177%0.76678%0.784SS**PPolyproline II helixtrans-62.9145173.927.9-34.5000110.4
267P54.1Low43.5Very low114 Ų114132.2 Ų132.274%0.7479%0.79SS**PPolyproline II helixtrans-65.5150.6174.329-34.7000110.8
268P60.8Low43.4Very low112 Ų112137.2 Ų137.273%0.72780%0.797SS**PPolyproline II helixtrans-66.2148.4175.929-35000111.2
269P46.8Very low43.1Very low127 Ų127136.1 Ų136.183%0.82580%0.799SS**PPolyproline II helixtrans-67.5134178.128.1-34.2000111.3
270I44.8Very low42.6Very low158 Ų158137.8 Ų137.881%0.8181%0.808SS**PPolyproline II helixtrans-78131.4173.6-57.3171.3000108.3A272I270-A272 PolarHBondContact O-N 3.15Å; I270-A272 VanDerWaalsContact O-N 3.12Å
271P47.7Very low42Very low109 Ų109134.5 Ų134.571%0.70880%0.802SS**  trans-69.6109175.528-33.5000110.5Y273P271-Y273 PolarHBondContact O-N 2.95Å
272A40.1Very low41.5Very low99 Ų99135.6 Ų135.682%0.81881%0.807SS**  trans-71.8116.2172.700000110.1I270I270-A272 PolarHBondContact O-N 3.15Å; I270-A272 VanDerWaalsContact O-N 3.12Å
273Y37.4Very low41.1Very low231 Ų231135 Ų13591%0.90681%0.807SS**  trans-67.4138.5166.8-95.5-100.9000109.9P271 G275P271-Y273 PolarHBondContact O-N 2.95Å; Y273-G275 PolarHBondContact O-N 3Å
274G37.1Very low40.8Very low82 Ų82133.4 Ų133.485%0.84580%0.8SS**  trans-69.6115.8-17400000113.1
275G36.7Very low40.1Very low74 Ų74133.9 Ų133.976%0.76380%0.804SS**PPolyproline II helixtrans-90124.9159.900000109.7Y273Y273-G275 PolarHBondContact O-N 3Å
276V40.4Very low39.5Very low136 Ų136137 Ų13782%0.82481%0.808SS**PPolyproline II helixtrans-70.2141.7175.5-74.40000111.1
277V34.8Very low38.6Very low136 Ų136138.5 Ų138.582%0.82481%0.808SS**PPolyproline II helixtrans-72.3132.3174.1-73.80000111
278Y38Very low37.5Very low230 Ų230144.1 Ų144.190%0.90282%0.816SS**  trans-135.5152.5153-99.7-84000109.1
279Q30.4Very low36Very low171 Ų171141.2 Ų141.280%0.79981%0.806SS**  trans-111.1159-169.8-179.1175-2.700110.7
280D29.6Very low35.1Very low154 Ų154138.7 Ų138.782%0.82480%0.804SS**  trans77.1160.3165.6-115.5-66.8000118
281G31.8Very low34.5Very low72 Ų72142.1 Ų142.174%0.74281%0.808SS**  trans124.785.1179.200000115.3
282F33Very low34Very low198 Ų198142 Ų14287%0.86882%0.817SS**  trans-83.6112.6170.9-177.2-80.6000110.7
283Y32.9Very low33.6Very low231 Ų231140.3 Ų140.391%0.90680%0.802SS**  trans-167.5158.3156.6-118.1-80.9000110.3
284G30.8Very low33.2Very low67 Ų67140.6 Ų140.669%0.69180%0.803SS**  trans-140159.3173.900000112.4
285A33.3Very low33Very low102 Ų102146.8 Ų146.884%0.84380%0.801SS**  trans-165.6153.2167.100000110.5
286D36.2Very low32.7Very low156 Ų156154.2 Ų154.283%0.83481%0.808SS**  trans-79.1-169.2172.7-58.7-97.2000113.1
287I33.6Very low32.4Very low149 Ų149152.4 Ų152.476%0.76481%0.807SS**  trans99.9130.7155-53.8-169.9000117.7
288Y31.5Very low32.3Very low233 Ų233154.2 Ų154.291%0.91481%0.807SS**  trans67.9152.1168.5-91.4-139.4000118.3
289G28.6Very low32.2Very low51 Ų51149.2 Ų149.253%0.52680%0.802SS.*  cis158.378.7-5.900000115.3
290G28.8Very low32.4Very low74 Ų74147.1 Ų147.176%0.76380%0.801SS**  trans71.4103.8154.300000118.9
291Y32.2Very low32.8Very low229 Ų229145.6 Ų145.690%0.89880%0.799SS**  trans-127.9113.7151.4-29.3-72.2000109.1
292A36Very low33.1Very low108 Ų108146.9 Ų146.989%0.89380%0.803SS**  trans-97.6135.9170.700000109.7
293A32.4Very low33.2Very low63 Ų63144.1 Ų144.152%0.52180%0.803SS.*  trans-147.4105.417400000111.1R295A293-R295 PolarHBondContact O-N 2.86Å
294Y29.8Very low33.5Very low236 Ų236137.7 Ų137.793%0.92580%0.797SS**  trans-54.1134.9176.1-72.6-43.2000112.2
295R32.2Very low34Very low213 Ų213139.1 Ų139.180%0.80480%0.803SS**  trans-137.2138.5161.9-40.4-71.8174.2-151.74.2107.2A293A293-R295 PolarHBondContact O-N 2.86Å
296Y30.1Very low34.4Very low230 Ų230138.2 Ų138.290%0.90280%0.795SS**  trans-46.8139.4-169.9-89.8-110.9000116.2
297A34.4Very low34.7Very low97 Ų97140.9 Ų140.980%0.80280%0.795SS**  trans-74.9137.8158.700000110.5
298Q33.6Very low35.2Very low175 Ų175138 Ų13882%0.81879%0.788SS**  trans-114.2141.9162.2-71.4-169.9-13.200109T300Q298-T300 PolarHBondContact O-N 2.91Å
299P35.9Very low35.9Very low125 Ų125132 Ų13281%0.81277%0.772SS**PPolyproline II helixtrans-71.8120.9176.528.9-32.7000110.3
300T34.7Very low36.8Very low127 Ų127134.5 Ų134.578%0.77978%0.782SS**PPolyproline II helixtrans-68.9130.717046.10000110.2Q298 A302Q298-T300 PolarHBondContact O-N 2.91Å; T300-A302 PolarHBondContact O-N 2.91Å
301P37.8Very low37.5Very low121 Ų121141 Ų14179%0.78679%0.785SS**PPolyproline II helixtrans-65.8120.6166.128.3-32.4000108.7T303P301-T303 PolarHBondContact O-N 2.91Å; P301-T303 VanDerWaalsContact O-N 3.11Å
302A36.6Very low38.1Very low99 Ų99133 Ų13382%0.81877%0.772SS**  trans-67.1110.9-179.600000110.3T300 A304T300-A302 PolarHBondContact O-N 2.91Å; A302-A304 PolarHBondContact O-N 2.94Å
303T36.8Very low38.9Very low140 Ų140136.4 Ų136.486%0.85976%0.762SS**  trans-69.495172.142.60000109.7P301 A305P301-T303 PolarHBondContact O-N 2.91Å; P301-T303 VanDerWaalsContact O-N 3.11Å; T303-A305 PolarHBondContact O-N 3.26Å; T303-A305 VanDerWaalsContact O-N 3.15Å
304A38.3Very low39.6Very low96 Ų96139 Ų13979%0.79377%0.771SS**  trans-57.8115.4172.800000110.2A302 A306A302-A304 PolarHBondContact O-N 2.94Å; A304-A306 PolarHBondContact O-N 3.35Å
305A41.8Very low40.2Very low98 Ų98137.1 Ų137.181%0.8176%0.763SS**  trans-7684.7-178.900000110.7T303 Y307T303-A305 PolarHBondContact O-N 3.26Å; T303-A305 VanDerWaalsContact O-N 3.15Å; A305-Y307 PolarHBondContact O-N 3.4Å
306A41.1Very low40.7Very low83 Ų83131.8 Ų131.869%0.68677%0.765SS**  trans-66.796173.400000110.4A304 S308A304-A306 PolarHBondContact O-N 3.35Å; A306-S308 PolarHBondContact O-N 3.08Å
307Y42.5Very low41.3Very low211 Ų211125.7 Ų125.783%0.82776%0.762SS**  trans-79.5109.2178.8-149.8-88000109.9A305A305-Y307 PolarHBondContact O-N 3.4Å
308S43.3Very low41.5Very low89 Ų89127.3 Ų127.362%0.62276%0.757SS**  trans-93.1119.4177.859.30000111A306A306-S308 PolarHBondContact O-N 3.08Å
309D46.2Very low42.2Very low106 Ų106124.2 Ų124.257%0.56775%0.752SS**  trans-72.4157.2168.5-152.9-57.8000111Y311 G312D309-Y311 PolarHBondContact O-N 3.35Å; D309-G312 PolarHBondContact O-N 3.34Å
310S47.6Very low42.4Very low105 Ų105126.7 Ų126.773%0.73475%0.747SS**THydrogen-bonded Turntrans-47.7-18.9176.360.20000116.3
311Y43.8Very low42.7Very low209 Ų209129.7 Ų129.782%0.8275%0.751SS**THydrogen-bonded Turntrans-105.216.1176.8-80.8-89.6000114.8D309 R313D309-Y311 PolarHBondContact O-N 3.35Å; Y311-R313 PolarHBondContact O-N 3.22Å
312G45.3Very low42.6Very low61 Ų61132.3 Ų132.363%0.62975%0.753SS**  trans70.526.4164.500000115.5D309D309-G312 PolarHBondContact O-N 3.34Å
313R52.6Low42.4Very low180 Ų180132.2 Ų132.268%0.67975%0.752SS**  trans-91.5135.8170.6-61.5-58.1-174.8170.40.4110Y311 Y315Y311-R313 PolarHBondContact O-N 3.22Å; R313-Y315 HydrophobicContact CB-CE2 4.18Å
314V46.4Very low42.3Very low117 Ų117134.2 Ų134.271%0.70976%0.756SS**  trans-115125.6177.7-172.70000107.7
315Y42.8Very low42Very low197 Ų197134 Ų13477%0.77376%0.755SS**  trans-107.9123.3173.7-68.3-85.1000109.1R313R313-Y315 HydrophobicContact CB-CE2 4.18Å
316A42.7Very low42Very low102 Ų102135.7 Ų135.784%0.84376%0.757SS**  trans-84.3128166.400000108.6
317A44.3Very low41.5Very low101 Ų101136.3 Ų136.384%0.83576%0.762SS**  trans-87.5107.2171.700000108.9
318D38.6Very low41.9Very low132 Ų132132 Ų13271%0.70676%0.76SS**  trans-82.3119.7175.3-163.2-25.1000109.6Y320D318-Y320 VanDerWaalsContact C-N 3.31Å; D318-Y320 PolarHBondContact O-N 2.99Å
319P48Very low41.4Very low109 Ų109133.7 Ų133.771%0.70877%0.767SS**  trans-83.613.9-166.133.2-37.1000115.9
320Y40.1Very low40.6Very low178 Ų178139.6 Ų139.670%0.69878%0.783SS**  trans-139.592179.7-79.7-78.1000115.1D318D318-Y320 VanDerWaalsContact C-N 3.31Å; D318-Y320 PolarHBondContact O-N 2.99Å
321H39.5Very low39.7Very low189 Ų189137.7 Ų137.788%0.87578%0.781SS**  trans-146.4127.9148.1-90.9-66.4000111.4
322H35.9Very low39.1Very low176 Ų176134.8 Ų134.882%0.81578%0.784SS**  trans-88.1164.6-178.7-79.7-102.2000113
323A33.2Very low38.4Very low97 Ų97135.4 Ų135.480%0.80279%0.791SS**  trans-58.5158.7-175.300000115.9
324L34.6Very low37.5Very low182 Ų182131.5 Ų131.595%0.95380%0.797SS**  trans-156.8159.3140.1-104.2164.8000109.6
325A31.8Very low37Very low92 Ų92134 Ų13476%0.7680%0.803SS**  trans-99156.9-165.500000114.3
326P42.5Very low36.6Very low133 Ų133132.8 Ų132.886%0.86481%0.809SS**  trans-91.9129.7173.634.5-31.4000113.1
327A29.7Very low36.1Very low96 Ų96132.3 Ų132.379%0.79381%0.806SS**  trans-141.4150.4161.800000109
328P52.1Low35.5Very low120 Ų120137.8 Ų137.878%0.77981%0.811SS**  trans-92.1161.9-162.236.2-37.2000114.3
329T31.2Very low35.3Very low126 Ų126135.7 Ų135.777%0.77381%0.812SS**  trans174.1118.9136.1-80.60000113.8
330Y30Very low35.3Very low229 Ų229136.5 Ų136.590%0.89882%0.817SS**  trans52.7148.3147.8-77.6-111.9000124.2
331G29.4Very low35.1Very low66 Ų66136.3 Ų136.368%0.6883%0.828SS**  trans131.579.3171.900000112.5
332V30.5Very low35.2Very low147 Ų147133.3 Ų133.389%0.89182%0.823SS**  51.9113.383.6-174.90000112.6
333G30.1Very low35.1Very low75 Ų75132.6 Ų132.677%0.77383%0.825SS**  cis168.1155.2-6.800000112.1
334A34.6Very low35Very low97 Ų97131.6 Ų131.680%0.80282%0.816SS**  trans-152.2145.8169.400000110.9
335M35.9Very low35Very low171 Ų171132.2 Ų132.284%0.84281%0.811SS**  trans-79.7139.7-170.646.4-81.5159.500114.3
336N34.7Very low35.1Very low170 Ų170134.1 Ų134.191%0.90981%0.814SS**  -157.4137.9122.3-107.3-11.2000109.6
337A32.4Very low34.6Very low93 Ų93138.5 Ų138.577%0.76981%0.813SS**  trans-124.7139.1-169.500000112
338F30.8Very low34.8Very low216 Ų216138.9 Ų138.995%0.94781%0.81SS**  trans-150.1124.4148.1-123.3-83.3000108.1
339A34.9Very low34Very low87 Ų87141.3 Ų141.372%0.71981%0.811SS**  trans-115.3147.7-177.600000110.4
340P46.8Very low34.2Very low126 Ų126139.4 Ų139.482%0.81881%0.808SS**  trans-79.6156.2175.134.1-34.9000111.4
341L37.3Very low34.5Very low175 Ų175134.8 Ų134.892%0.91680%0.798SS**  trans-127.4138.1166.8-162.775.7000109.9
342T41.8Very low34.9Very low126 Ų126139 Ų13977%0.77381%0.805SS**  trans-114.7143.6177.651.80000110.2
343D32Very low35.3Very low160 Ų160139 Ų13986%0.85681%0.806SS**  trans-162.6165.6136.8-157.919.2000113.7
344A32.6Very low35.7Very low76 Ų76139 Ų13963%0.62881%0.806SS**  trans40.7129.2156.600000121.5
345K34.7Very low35.9Very low195 Ų195142.7 Ų142.785%0.84881%0.811SS**  cis87.890.825.7-17182.8169.3-170.10116
346T32.4Very low36.1Very low132 Ų132140.6 Ų140.681%0.8181%0.808SS**  trans-166.3139.7137.515.60000116.1
347R32Very low36.1Very low225 Ų225140.1 Ų140.185%0.84980%0.804SS**  trans38104140.3-71.4178172.6164.7-2.8123
348S34.8Very low36.1Very low105 Ų105140.5 Ų140.573%0.73480%0.801SS**  37.7140.9106.465.90000124
349H35.3Very low36.3Very low170 Ų170134.9 Ų134.979%0.78779%0.789SS**  trans95.5153152.5-130.3-72.7000118.9D351H349-D351 IonicContact CE1-OD2 2.86Å; H349-D351 IonicContact ND1-OD2 3.25Å; H349-D351 PolarHBondContact ND1-OD2 3.49Å
350A36Very low36.6Very low86 Ų86138 Ų13871%0.71179%0.792SS**  trans78143.7-179.900000117.9
351D34.8Very low36.2Very low132 Ų132140.5 Ų140.571%0.70679%0.793SS**  cis-176.8167.6-39.6-98.4-46.4000105.6H349H349-D351 IonicContact CE1-OD2 2.86Å; H349-D351 IonicContact ND1-OD2 3.25Å; H349-D351 PolarHBondContact ND1-OD2 3.49Å
352D38.6Very low36.4Very low154 Ų154136 Ų13682%0.82478%0.781SS**  trans-62.7138.1-174.7-68.6-88.8000115.7
353V39.5Very low36.3Very low149 Ų149136.2 Ų136.290%0.90379%0.788SS**  -165.6137125.5-97.60000111.1
354G37.3Very low37.1Very low75 Ų75136.1 Ų136.177%0.77379%0.786SS**  trans-93.7144.1166.700000112
355L39.9Very low37.2Very low173 Ų173143 Ų14391%0.90680%0.797SS**  trans-138.1135.9168.2-106.3170.5000111.1
356V39.8Very low37.5Very low128 Ų128145.4 Ų145.478%0.77680%0.801SS**  trans-91.9163.6175.2174.60000109.1
357L34.7Very low37.6Very low160 Ų160141.9 Ų141.984%0.83879%0.791SS**  trans102.1139179.8-60.3163.7000113.2
358S32.9Very low37.8Very low100 Ų100134.6 Ų134.670%0.69979%0.785SS**  cis-165.9165.7-13.8-1710000111.3
359S33.8Very low38.1Very low99 Ų99139.2 Ų139.269%0.69279%0.788SS**  trans89.8149.9143.884.40000122
360L41.8Very low38.6Very low151 Ų151139 Ų13979%0.79179%0.793SS**  trans74.192.8160.9-88.568.5000122.1
361Q38.5Very low39.2Very low180 Ų180145 Ų14584%0.84180%0.797SS**  76.8144.1108.8-137.687-28.200122.7
362A41.2Very low39.8Very low79 Ų79148.7 Ų148.765%0.65381%0.807SS**  trans76.280.414600000120.1I364A362-I364 PolarHBondContact O-N 3.37Å
363S40.3Very low39.8Very low131 Ų131145.6 Ų145.692%0.91680%0.803SS**  trans-63.5119.1153.3-46.10000110.9
364I47.4Very low40.7Very low159 Ų159143.7 Ų143.782%0.81579%0.794SS**  trans-101.7111.6170.8-65.3-176.4000110.6A362A362-I364 PolarHBondContact O-N 3.37Å
365Y34.7Very low40.8Very low220 Ų220154.8 Ų154.886%0.86382%0.815SS**  trans-79.3131.1174-157.7-102.2000109.9
366R40.9Very low40.9Very low246 Ų246153.9 Ų153.993%0.92881%0.81SS**  trans-13969.8168.5-159.5179-166.2-131.50.5112.3
367G35.1Very low40.9Very low58 Ų58155.3 Ų155.360%0.59881%0.812SS**  trans-80.2153.3170.700000113.1
368G35.7Very low41.3Very low71 Ų71155 Ų15573%0.73281%0.81SS**  trans83.6114.1156.500000117.7
369Y41.8Very low41.8Very low202 Ų202158.2 Ų158.279%0.79282%0.817SS**  -162.1101.6106.8-115.3-70000111.6R371Y369-R371 HydrophobicContact CD1-CG 3.7Å; Y369-R371 HydrophobicContact CE1-CG 3.94Å
370N45.2Very low42.3Very low167 Ų167161.9 Ų161.989%0.89383%0.825SS**  trans-91.7123.1160.3-90.1-40.9000108.1
371R50Low42.3Very low211 Ų211162.7 Ų162.780%0.79683%0.827SS**  trans-135.5117.5171.4-83-86.1-84-120.7-8.1109.2Y369Y369-R371 HydrophobicContact CD1-CG 3.7Å; Y369-R371 HydrophobicContact CE1-CG 3.94Å
372F47.3Very low42.6Very low209 Ų209161.4 Ų161.492%0.91783%0.826SS**  trans-82.4-178.4171.9-112-96.1000111.1
373A38.3Very low42.7Very low90 Ų90167.8 Ų167.874%0.74484%0.839SS**  trans87.5157.6162.600000115.2
374P57.6Low42.9Very low109 Ų109170.8 Ų170.871%0.70883%0.833SS**  -136.4176.3-117.238.3-18.9000115.1
375Y40.8Very low42.5Very low308 Ų308171.9 Ų171.9100%1.20883%0.834SS**  trans-155.50149.6-100.2-68.7000110.3

Retrieved 375 of 375 residues in 174.7 ms (Link to these results)