A0A087WX24_HUMAN Loading...

Sterile alpha motif domain containing 11

AlphaFold DB , UniProt , Accession A0A087WX24, Species HUMAN (Homo sapiens, Human), Gene SAMD11, Length 845 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M27.3Very low36.2Very low232 Ų232147.8 Ų147.8100%1.14378%0.78SS**  0144.40-77.3-61.5-174.800108.6
2P52.7Low36Very low110 Ų110147.1 Ų147.171%0.71477%0.769SS**  cis-140.3167.7-3638-22.7000114.4
3A33.2Very low35.6Very low93 Ų93147.7 Ų147.777%0.76977%0.774SS**  trans65.8166.3155.400000116.8
4V38Very low35.6Very low139 Ų139149.7 Ų149.784%0.84279%0.785SS**  cis-130.2153.415.9176.40000112.8
5K34.4Very low35.3Very low160 Ų160146.3 Ų146.370%0.69679%0.787SS**  trans-49156.6176.1-59.2174.5161.1-146.70115.8E7K5-E7 VanDerWaalsContact CD-OE2 3.26Å; K5-E7 WeakPolarHBondContact CD-OE2 3.47Å; K5-E7 VanDerWaalsContact CE-OE2 3.26Å; K5-E7 WeakPolarHBondContact CE-OE2 3.3Å; K5-E7 IonicContact NZ-OE2 2.66Å; K5-E7 PolarHBondContact NZ-OE2 2.77Å
6K38.4Very low35.2Very low213 Ų213148.3 Ų148.393%0.92680%0.796SS**  -143.6136.6124.8-140.6170.3-174.5178.50110.5
7E32Very low34.9Very low104 Ų104144.8 Ų144.849%0.48679%0.792SS.*  trans-132.8173-173.6-68.3171.899.300110.2K5K5-E7 VanDerWaalsContact CD-OE2 3.26Å; K5-E7 WeakPolarHBondContact CD-OE2 3.47Å; K5-E7 VanDerWaalsContact CE-OE2 3.26Å; K5-E7 WeakPolarHBondContact CE-OE2 3.3Å; K5-E7 IonicContact NZ-OE2 2.66Å; K5-E7 PolarHBondContact NZ-OE2 2.77Å
8F34.3Very low34.7Very low181 Ų181146.1 Ų146.179%0.79480%0.797SS**  trans71.7160.4163.6-61.5-70.4000118.4
9P46.1Very low34.5Very low121 Ų121142.2 Ų142.279%0.78679%0.786SS**  cis-120.6178.5-5.530.3-10.3000114.4
10G29Very low34.4Very low61 Ų61140.8 Ų140.863%0.62978%0.782SS**  trans-106.1-153.2156.700000110.9
11R32.5Very low34.2Very low212 Ų212143.5 Ų143.580%0.879%0.786SS**  trans80.4118-175.3-52.1-145.7129.4155.20.6112.8
12E33.8Very low34.4Very low139 Ų139140.6 Ų140.665%0.6577%0.769SS**  96.4151.867.7-72.3147.4-135.100111
13D30.9Very low34.5Very low155 Ų155140 Ų14083%0.82977%0.765SS**  trans59.1107.7167.3-57.4-23000122.3
14L35.6Very low34.5Very low176 Ų176140.8 Ų140.892%0.92176%0.761SS**  trans-153.569.8135.8-147.1163000111.7
15A30.7Very low34.2Very low99 Ų99141.5 Ų141.582%0.81876%0.759SS**  trans-154.157.3179.600000114.6
16L34.6Very low34.1Very low178 Ų178138.3 Ų138.393%0.93276%0.763SS**  trans-149.1110.5167.2-163.870.8000115
17A29.7Very low33.7Very low88 Ų88133.1 Ų133.173%0.72776%0.759SS**  trans-178.3129.3162.100000107.4
18L31.3Very low33.9Very low169 Ų169136.2 Ų136.289%0.88578%0.778SS**  cis-154.5156.7-9.9-78.3174.9000106.2
19A31.8Very low34.2Very low72 Ų72133.9 Ų133.960%0.59578%0.781SS**  cis-168175-16.400000109.7
20T32.5Very low33.5Very low114 Ų114136.1 Ų136.170%0.69979%0.786SS**  trans36.9117.5152.653.90000120.9
21F29Very low35.1Very low197 Ų197138.4 Ų138.486%0.86479%0.79SS**  -174.115193.3-103.9-76000112.5
22H32.4Very low35.8Very low172 Ų172134.2 Ų134.280%0.79679%0.79SS**  trans-159.8164.9176-140.5-123.4000106.6
23P54.4Low36Very low97 Ų97135.4 Ų135.463%0.6380%0.8SS**  cis-123.1-146.617.827.8-0.8000112.1
24T32.8Very low36.8Very low109 Ų109134.1 Ų134.167%0.66980%0.8SS**  cis-165152.618-18.50000115
25L32.3Very low36.6Very low155 Ų155129.1 Ų129.181%0.81279%0.791SS**  trans41.7106.8148.4-71.5173.2000123.3
26A32.2Very low36.5Very low93 Ų93134.9 Ų134.977%0.76979%0.793SS**  69.5157.410500000124.6
27A30Very low36.4Very low103 Ų103134 Ų13485%0.85179%0.788SS**  trans97.3130.4162.300000120.1
28L36.5Very low36.5Very low169 Ų169134 Ų13489%0.88579%0.788SS**  trans-98.8157.7164.2-65.7165000108.4
29P40.5Very low37.3Very low132 Ų132132.1 Ų132.186%0.85779%0.786SS**  -151.6-153.587.940.8-19.8000115.7
30L31.1Very low37.3Very low169 Ų169136.1 Ų136.189%0.88580%0.797SS**  trans-102.9-177.7-160-88.3167.5000114.5
31P62.7Low38.2Very low109 Ų109136.1 Ų136.171%0.70880%0.799SS**  trans-98.7-171.5-151.942.2-40000116
32P45.8Very low38.5Very low124 Ų124131.3 Ų131.381%0.80580%0.796SS**  -148.9176.5108.540.5-24.5000117.5
33L39.3Very low38.5Very low163 Ų163127.6 Ų127.685%0.85380%0.795SS**  trans-94.3162.1164.8-76.9171.3000110
34P47.7Very low37.4Very low129 Ų129127.9 Ų127.984%0.83881%0.805SS**  -162.6-179.76744-21.4000120.3
35G30.3Very low37.2Very low71 Ų71127.3 Ų127.373%0.73281%0.811SS**  trans89.5159.4155.300000118
36Y30.3Very low37.2Very low220 Ų220127.9 Ų127.986%0.86381%0.814SS**  cis-165.1170.9-7.1-146.7-84.8000110.5
37L30.9Very low38.5Very low159 Ų159128.7 Ų128.783%0.83281%0.812SS**  trans86.2143.9164.3-62.6175.4000121.8
38A32.1Very low39.6Very low88 Ų88129.3 Ų129.373%0.72781%0.807SS**  trans-129.4175161.900000107.9
39P48.2Very low39.3Very low129 Ų129125.5 Ų125.584%0.83880%0.8SS**  -154.6-172.672.641.5-19.4000117.5
40L32Very low38.9Very low157 Ų157123.7 Ų123.782%0.82280%0.796SS**  trans-73.5175.2171.4-94.6169000113.2
41P52.6Low38.8Very low113 Ų113121.5 Ų121.573%0.73480%0.795SS**  cis-158.6-177.548.345.1-22.2000122.1
42A33.6Very low37.3Very low97 Ų97124.3 Ų124.380%0.80280%0.803SS**  trans78146.2151.800000120.9
43A33.5Very low37.7Very low94 Ų94124.1 Ų124.178%0.77780%0.802SS**  cis-169.8171.8-1700000112.8
44A31.2Very low37.1Very low103 Ų103120.7 Ų120.785%0.85180%0.797SS**  trans72.1147.5163.300000119.2
45A29.4Very low36.2Very low96 Ų96119.6 Ų119.679%0.79379%0.793SS**  cis-159.6177.6-10.800000112.7
46L31.2Very low36.1Very low168 Ų168120.8 Ų120.888%0.8880%0.795SS**  trans-147.3179.2179-87.4176.4000109.1
47P58.8Low36.1Very low110 Ų110115.6 Ų115.671%0.71480%0.798SS**  cis-120.3-129.71.927.20.1000109.8
48P53.7Low35.9Very low116 Ų116111.5 Ų111.575%0.75379%0.794SS**  cis-143.1-177.4-1544.6-24.8000118.8
49A30.9Very low35.9Very low89 Ų89117.3 Ų117.374%0.73680%0.799SS**  trans73.189.2141.200000124.8
50A31Very low35Very low94 Ų94119.3 Ų119.378%0.77780%0.797SS**  83.7140.2110.800000125.4
51S29.6Very low34.8Very low122 Ų122115.1 Ų115.185%0.85378%0.784SS**  trans93.1144.9150.972.90000122.7
52L31.1Very low33.8Very low169 Ų169117.2 Ų117.289%0.88579%0.789SS**  trans-129.1-178.7172.7-65.5171.3000106.5
53P53.8Low33.7Very low119 Ų119120.8 Ų120.877%0.77379%0.793SS**  cis-138.6-150.7543.9-23.1000114
54A27.6Very low33.4Very low92 Ų92120.7 Ų120.776%0.7679%0.793SS**  trans75.6154.6161.900000118.2
55S29Very low34.4Very low106 Ų106121.6 Ų121.674%0.74179%0.79SS**  cis-169.8147.6-21.852.20000113.1
56A28Very low34.9Very low96 Ų96122.1 Ų122.179%0.79379%0.785SS**  trans62.6141145.300000123.6
57A30.1Very low34.8Very low110 Ų110122.5 Ų122.591%0.90979%0.787SS**  trans68139.1149.500000121.3
58G27.5Very low33.4Very low73 Ų73128.6 Ų128.675%0.75380%0.796SS**  trans166.7111.3170.800000113.7
59Y31.1Very low32.7Very low211 Ų211128.6 Ų128.683%0.82780%0.796SS**  trans-66138.5168.760.9-87.3000109.7
60E28.8Very low33.1Very low171 Ų171130.3 Ų130.380%0.79980%0.8SS**  8815476.7-150-136.814500114.3
61A28.8Very low33.2Very low68 Ų68136.9 Ų136.956%0.56280%0.804SS**  trans81.896.1158.800000122.2
62L31Very low33.1Very low158 Ų158135.7 Ų135.783%0.82780%0.802SS**  77.8162.1123.3-62.6173.6000122.6
63L31.1Very low33Very low171 Ų171137 Ų13790%0.89580%0.796SS**  trans84.9124.2163.4-51.7-174.9000119.7
64A28.1Very low32Very low93 Ų93139.3 Ų139.377%0.76980%0.802SS**  trans-147173.9164.100000107.4
65P52.9Low31.9Very low122 Ų122139 Ų13979%0.79279%0.794SS**  cis-108.9-159.7-26.640.6-26.1000109.2
66P39.6Very low32Very low107 Ų107142.2 Ų142.270%0.69580%0.802SS**  -161.6-177.474.945.3-23.1000118.5
67L27.8Very low32.1Very low175 Ų175145.6 Ų145.692%0.91680%0.801SS**  trans78.3150.3156.6-59.4-173.3000123.3
68R30.9Very low31.9Very low239 Ų239149.6 Ų149.690%0.90280%0.801SS**  trans-81.4178.5179.5-85.4177174.3155.7-1112.2
69P39.3Very low32Very low115 Ų115150.9 Ų150.975%0.74781%0.805SS**  cis-147-149.329.547.5-25.6000113.9
70P38.6Very low31.7Very low126 Ų126145.1 Ų145.182%0.81880%0.801SS**  cis-125.8-162.7-19.535.5-14.6000114.6
71R32.4Very low31.8Very low231 Ų231142.6 Ų142.687%0.87280%0.799SS**  trans-106152.1-177.6-73.4168.5149.2148-10114.1
72A28.6Very low31.7Very low98 Ų98148.1 Ų148.181%0.8181%0.813SS**  trans-161.4115.6134.600000106.8
73Y28.9Very low31.5Very low195 Ų195148.2 Ų148.277%0.76581%0.813SS**  cis78.287.444.9-147.2-70.5000114.5
74L32.4Very low31.4Very low168 Ų168149 Ų14988%0.8881%0.812SS**  trans-152.8155.3137.6-105.5176000108.7
75S26Very low31.5Very low87 Ų87151.5 Ų151.561%0.60881%0.812SS**  trans-131.7167.3-171.9-66.90000111.5
76L30.5Very low30.7Very low173 Ų173150.2 Ų150.291%0.90680%0.803SS**  trans93139.1172.9-57.4163.6000115.8
77H28.9Very low31Very low167 Ų167155.1 Ų155.177%0.77381%0.808SS**  cis168.4109.5-45.1162.4-68.8000106.9
78E26.3Very low31.6Very low194 Ų194150.2 Ų150.291%0.90778%0.782SS**  trans-150.3157.5162.5-128.5169.6140.800113.8
79A29.1Very low32.2Very low100 Ų100143.3 Ų143.383%0.82677%0.768SS**  trans-57.1129.3-15200000117.3
80A25.8Very low32.5Very low90 Ų90142.8 Ų142.874%0.74476%0.759SS**  trans-113.1135.5158.400000110
81P30.7Very low33.1Very low117 Ų117137.9 Ų137.976%0.7673%0.729SS**  trans-72.7150.9-177.629.8-35000112.6L83P81-L83 PolarHBondContact O-N 3.25Å
82H26.9Very low34Very low185 Ų185128.7 Ų128.786%0.85670%0.697SS**  trans-62.4103.8-171.5-56.5-70.2000114H84H82-H84 PolarHBondContact O-N 3.18Å; H82-H84 VanDerWaalsContact O-N 3.09Å
83L26.1Very low35.1Very low160 Ų160129.7 Ų129.784%0.83869%0.685SS**  trans-69.599.4163.2-72.3174.6000110P81 L85P81-L83 PolarHBondContact O-N 3.25Å; L83-L85 PolarHBondContact O-N 3.48Å; L83-L85 VanDerWaalsContact O-N 3.09Å
84H30Very low36.4Very low186 Ų186127.3 Ų127.386%0.86167%0.674SS**  trans-69.2100.6165.8-107.7-67.3000109.2H82H82-H84 PolarHBondContact O-N 3.18Å; H82-H84 VanDerWaalsContact O-N 3.09Å
85L29.3Very low37.5Very low147 Ų147122 Ų12277%0.7765%0.645SS**PPolyproline II helixtrans-57.9143.1173.1-107.175.2000111L83 R87L83-L85 PolarHBondContact O-N 3.48Å; L83-L85 VanDerWaalsContact O-N 3.09Å; L85-R87 PolarHBondContact O-N 3.2Å
86P35.8Very low38.9Very low94 Ų94119.6 Ų119.661%0.6163%0.628SS**PPolyproline II helixtrans-62123.5-179.5-2334000112.1
87R47.2Very low40Very low210 Ų210114.3 Ų114.379%0.79261%0.609SS**SBendtrans-80121.4170.8-161.9172.2-171.4147.94.9109.3L85 R130L85-R87 PolarHBondContact O-N 3.2Å; R87-R130 PolarHBondContact O-NH2 3.17Å
88D40.6Very low41.2Very low72 Ų72109.4 Ų109.439%0.38559%0.591SS.*  trans6099.5178.2-1712.3000115.5L90 A91 R130D88-L90 WeakPolarHBondContact OD1-CA 3.42Å; D88-L90 WeakPolarHBondContact OD1-CB 3.46Å; D88-L90 PolarHBondContact OD1-N 2.89Å; D88-A91 HydrophobicContact CB-CB 4.05Å; D88-A91 PolarHBondContact OD1-N 3.26Å; D88-A91 VanDerWaalsContact OD1-N 3.08Å; D88-A91 WeakPolarHBondContact OD2-CB 3.47Å; D88-A91 PolarHBondContact OD2-N 3.38Å; D88-R130 PolarHBondContact O-NH2 3.19Å; D88-R130 VanDerWaalsContact O-NH2 3.15Å
89P42.3Very low42.6Very low94 Ų94100.5 Ų100.561%0.6155%0.551SS**Hα-helixtrans-64.9-34.8169.7-20.233000113.4A91 L92 E93P89-A91 VanDerWaalsContact C-N 3.25Å; P89-A91 PolarHBondContact O-N 3.45Å; P89-L92 WeakPolarHBondContact O-CA 3.47Å; P89-L92 WeakPolarHBondContact O-CB 3.46Å; P89-L92 PolarHBondContact O-N 3.35Å; P89-E93 PolarHBondContact O-N 3.03Å
90L47.2Very low43.6Very low104 Ų10499.6 Ų99.655%0.54554%0.543SS..Hα-helixtrans-71-22.9-177.3-55.4176.2000111.8D88 R94D88-L90 WeakPolarHBondContact OD1-CA 3.42Å; D88-L90 WeakPolarHBondContact OD1-CB 3.46Å; D88-L90 PolarHBondContact OD1-N 2.89Å; L90-R94 VanDerWaalsContact CB-NH1 3.35Å; L90-R94 WeakPolarHBondContact O-CB 3.33Å; L90-R94 WeakPolarHBondContact O-CG 3.35Å; L90-R94 PolarHBondContact O-N 3.19Å; L90-R94 PolarHBondContact O-NH1 3.44Å
91A49.1Very low44.8Very low23 Ų2399.5 Ų99.519%0.1954%0.542CS..Hα-helixtrans-66.5-41.8166.900000111.7D88 P89 F95D88-A91 HydrophobicContact CB-CB 4.05Å; D88-A91 PolarHBondContact OD1-N 3.26Å; D88-A91 VanDerWaalsContact OD1-N 3.08Å; D88-A91 WeakPolarHBondContact OD2-CB 3.47Å; D88-A91 PolarHBondContact OD2-N 3.38Å; P89-A91 VanDerWaalsContact C-N 3.25Å; P89-A91 PolarHBondContact O-N 3.45Å; A91-F95 WeakPolarHBondContact O-CD2 3.45Å; A91-F95 PolarHBondContact O-N 3.47Å
92L53Low46Very low38 Ų3894.9 Ų94.920%0.19951%0.514CS..Hα-helixtrans-65.1-48.9176.1-179.563.8000110.2P89 R94 F95 S96 L109 P114P89-L92 WeakPolarHBondContact O-CA 3.47Å; P89-L92 WeakPolarHBondContact O-CB 3.46Å; P89-L92 PolarHBondContact O-N 3.35Å; L92-R94 VanDerWaalsContact C-N 3.35Å; L92-R94 PolarHBondContact O-N 2.87Å; L92-F95 CarbonylContact O-C 3.57Å; L92-F95 PolarHBondContact O-N 2.67Å; L92-F95 VanDerWaalsContact O-N 3.09Å; L92-S96 WeakPolarHBondContact O-CB 3.5Å; L92-S96 PolarHBondContact O-N 3.32Å; L92-S96 PolarHBondContact O-OG 3.44Å; L92-S96 VanDerWaalsContact O-OG 3.13Å; L92-L109 HydrophobicContact CD1-CD2 4.45Å; L92-L109 HydrophobicContact CD2-CD2 4.07Å; L92-P114 HydrophobicContact CD1-CB 4.21Å; L92-P114 HydrophobicContact CD1-CG 4.41Å
93E50.8Low47.2Very low119 Ų11991.2 Ų91.256%0.55651%0.506SS*.Hα-helixtrans-58-41.9177.8-76.1-56.6106.600113.2P89 F95 S96 A97P89-E93 PolarHBondContact O-N 3.03Å; E93-F95 PolarHBondContact O-N 2.62Å; E93-S96 PolarHBondContact O-N 3.38Å; E93-A97 VanDerWaalsContact O-CB 3.31Å; E93-A97 WeakPolarHBondContact O-CB 3.36Å; E93-A97 PolarHBondContact O-N 3.23Å
94R56.2Low48.6Very low145 Ų14587.6 Ų87.655%0.54749%0.488SS..Hα-helixtrans-65.4-36.6175.8-72.1174.2-168.8115.6-8112.7L90 L92 T98L90-R94 VanDerWaalsContact CB-NH1 3.35Å; L90-R94 WeakPolarHBondContact O-CB 3.33Å; L90-R94 WeakPolarHBondContact O-CG 3.35Å; L90-R94 PolarHBondContact O-N 3.19Å; L90-R94 PolarHBondContact O-NH1 3.44Å; L92-R94 VanDerWaalsContact C-N 3.35Å; L92-R94 PolarHBondContact O-N 2.87Å; R94-T98 WeakPolarHBondContact O-CB 3.45Å; R94-T98 PolarHBondContact O-N 3.37Å; R94-T98 VanDerWaalsContact O-N 3.11Å; R94-T98 PolarHBondContact O-OG1 3.44Å
95F56.6Low50.2Low58 Ų5879.3 Ų79.325%0.25445%0.449SS..Hα-helixtrans-69.4-41.6172.2-83-63.9000111.7A91 L92 E93 T98 A99 V129A91-F95 WeakPolarHBondContact O-CD2 3.45Å; A91-F95 PolarHBondContact O-N 3.47Å; L92-F95 CarbonylContact O-C 3.57Å; L92-F95 PolarHBondContact O-N 2.67Å; L92-F95 VanDerWaalsContact O-N 3.09Å; E93-F95 PolarHBondContact O-N 2.62Å; F95-T98 PolarHBondContact O-N 3.17Å; F95-A99 WeakPolarHBondContact O-CB 3.4Å; F95-A99 PolarHBondContact O-N 3Å; F95-V129 HydrophobicContact CD1-CG1 4.17Å; F95-V129 HydrophobicContact CE1-CG1 3.6Å; F95-V129 HydrophobicContact CE2-CG1 4.41Å; F95-V129 HydrophobicContact CZ-CG1 3.75Å
96S54.6Low51.7Low36 Ų3678.6 Ų78.625%0.25244%0.442SS..Hα-helixtrans-63.5-42.1176.5-63.90000112.6L92 E93 A99 A100L92-S96 WeakPolarHBondContact O-CB 3.5Å; L92-S96 PolarHBondContact O-N 3.32Å; L92-S96 PolarHBondContact O-OG 3.44Å; L92-S96 VanDerWaalsContact O-OG 3.13Å; E93-S96 PolarHBondContact O-N 3.38Å; S96-A99 WeakPolarHBondContact O-CB 2.98Å; S96-A99 PolarHBondContact O-N 3.01Å; S96-A100 WeakPolarHBondContact O-CB 3.5Å; S96-A100 PolarHBondContact O-N 2.94Å
97A53.3Low53.1Low62 Ų6275.8 Ų75.851%0.51242%0.424SS..Hα-helixtrans-68.7-41.3176.600000112.1E93 A99 A100 A101E93-A97 VanDerWaalsContact O-CB 3.31Å; E93-A97 WeakPolarHBondContact O-CB 3.36Å; E93-A97 PolarHBondContact O-N 3.23Å; A97-A99 PolarHBondContact O-N 2.91Å; A97-A100 PolarHBondContact O-N 3.46Å; A97-A101 PolarHBondContact O-N 2.93Å; A97-A101 VanDerWaalsContact O-N 3.09Å
98T55.4Low54.4Low63 Ų6370 Ų7039%0.38741%0.408SS..Hα-helixtrans-66.7-28.8174.8-52.50000111.7R94 F95 I184R94-T98 WeakPolarHBondContact O-CB 3.45Å; R94-T98 PolarHBondContact O-N 3.37Å; R94-T98 VanDerWaalsContact O-N 3.11Å; R94-T98 PolarHBondContact O-OG1 3.44Å; F95-T98 PolarHBondContact O-N 3.17Å; T98-I184 HydrophobicContact CG2-CG1 4.12Å
99A53.9Low56Low8 Ų871.4 Ų71.47%0.06642%0.415CS..Hα-helixtrans-76.9-41.4172.500000112.5F95 S96 A97 A101 A102 F105 P107F95-A99 WeakPolarHBondContact O-CB 3.4Å; F95-A99 PolarHBondContact O-N 3Å; S96-A99 WeakPolarHBondContact O-CB 2.98Å; S96-A99 PolarHBondContact O-N 3.01Å; A97-A99 PolarHBondContact O-N 2.91Å; A99-A101 PolarHBondContact O-N 3.07Å; A99-A102 CarbonylContact O-C 3.56Å; A99-A102 WeakPolarHBondContact O-CA 3.35Å; A99-A102 PolarHBondContact O-N 3.3Å; A99-F105 WeakPolarHBondContact CB-O 3.31Å; A99-P107 HydrophobicContact CB-CG 4.25Å
100A51Low57.4Low80 Ų8069 Ų6966%0.66140%0.397SS*.Hα-helixtrans-61.4-32.5176.500000112.5S96 A97 A102S96-A100 WeakPolarHBondContact O-CB 3.5Å; S96-A100 PolarHBondContact O-N 2.94Å; A97-A100 PolarHBondContact O-N 3.46Å; A100-A102 PolarHBondContact O-N 3.15Å; A100-A102 VanDerWaalsContact O-N 3.12Å
101A51.4Low58.5Low88 Ų8870.8 Ų70.873%0.72741%0.407SS*.THydrogen-bonded Turntrans-66.3-3.4170.700000114.5A97 A99A97-A101 PolarHBondContact O-N 2.93Å; A97-A101 VanDerWaalsContact O-N 3.09Å; A99-A101 PolarHBondContact O-N 3.07Å
102A56.5Low59.4Low21 Ų2171.3 Ų71.317%0.17442%0.415CS..SBendtrans-14983.7179.500000110.9A99 A100 D104 F105A99-A102 CarbonylContact O-C 3.56Å; A99-A102 WeakPolarHBondContact O-CA 3.35Å; A99-A102 PolarHBondContact O-N 3.3Å; A100-A102 PolarHBondContact O-N 3.15Å; A100-A102 VanDerWaalsContact O-N 3.12Å; A102-D104 PolarHBondContact O-N 2.97Å; A102-F105 HydrophobicContact CB-CD2 3.82Å; A102-F105 HydrophobicContact CB-CE2 4.44Å; A102-F105 PolarHBondContact O-N 2.97Å
103P51Low60.6Low107 Ų10771.8 Ų71.870%0.69542%0.416SS*.THydrogen-bonded Turntrans-58.5-17.8-161.321.5-34.9000116.2F105P103-F105 PolarHBondContact O-N 3.28Å
104D56.2Low62.1Low84 Ų8466.2 Ų66.245%0.44939%0.39SS..THydrogen-bonded Turntrans-64-28.6171.2-56.5-70.9000113.1A102 Q106 K172 K174A102-D104 PolarHBondContact O-N 2.97Å; D104-Q106 PolarHBondContact O-N 3.18Å; D104-K172 VanDerWaalsContact O-CD 3.25Å; D104-K172 WeakPolarHBondContact O-CD 3.49Å; D104-K172 WeakPolarHBondContact O-CE 3.19Å; D104-K172 PolarHBondContact O-NZ 2.93Å; D104-K174 VanDerWaalsContact CB-NZ 3.31Å; D104-K174 IonicContact OD2-NZ 3.44Å; D104-K174 PolarHBondContact OD2-NZ 2.72Å
105F63.2Low63.6Low12 Ų1259.3 Ų59.35%0.05336%0.364CS..  trans-92.8100.6-176.9-63.7-65000110.6A99 A102 P103 H171 K174 L179 I184A99-F105 WeakPolarHBondContact CB-O 3.31Å; A102-F105 HydrophobicContact CB-CD2 3.82Å; A102-F105 HydrophobicContact CB-CE2 4.44Å; A102-F105 PolarHBondContact O-N 2.97Å; P103-F105 PolarHBondContact O-N 3.28Å; F105-H171 AromaticContact CD1-CD2 3.36Å; F105-H171 WeakPolarHBondContact CD1-CD2 3.33Å; F105-H171 AromaticContact CD1-NE2 3.66Å; F105-H171 AromaticContact CE1-CD2 3.4Å; F105-H171 VanDerWaalsContact CE1-CD2 3.4Å; F105-H171 WeakPolarHBondContact CE1-CD2 3.41Å; F105-K174 HydrophobicContact CE1-CD 4.24Å; F105-K174 HydrophobicContact CE2-CD 4.09Å; F105-K174 HydrophobicContact CZ-CB 4.38Å; F105-K174 HydrophobicContact CZ-CD 3.48Å; F105-K174 VanDerWaalsContact CZ-CD 3.48Å; F105-L179 HydrophobicContact CD1-CD2 3.86Å; F105-L179 HydrophobicContact CD2-CD2 4.4Å; F105-L179 HydrophobicContact CE1-CD1 3.82Å; F105-L179 HydrophobicContact CE1-CD2 3.4Å; F105-L179 HydrophobicContact CE1-CG 3.73Å; F105-L179 HydrophobicContact CE2-CD2 3.96Å; F105-L179 HydrophobicContact CG-CD2 4.34Å; F105-L179 HydrophobicContact CZ-CD1 4.32Å; F105-L179 HydrophobicContact CZ-CD2 3.43Å; F105-L179 VanDerWaalsContact CZ-CD2 3.43Å; F105-L179 HydrophobicContact CZ-CG 3.74Å; F105-I184 HydrophobicContact CD2-CD1 3.78Å; F105-I184 HydrophobicContact CE2-CD1 3.69Å
106Q59.7Low65.2Low132 Ų13257.1 Ų57.162%0.61736%0.355SS*.  trans-105.1108.8169.5-72.6167.4-3200107.6D104 L108D104-Q106 PolarHBondContact O-N 3.18Å; Q106-L108 PolarHBondContact O-N 3.36Å
107P65.4Low66.9Low35 Ų3558.5 Ų58.523%0.22736%0.357CS..  trans-68.4124.9170.528.2-31.8000108.9A99 P114 C115A99-P107 HydrophobicContact CB-CG 4.25Å; P107-P114 HydrophobicContact CB-CB 4.48Å; P107-C115 CarbonylContact C-O 3.59Å; P107-C115 WeakPolarHBondContact CA-O 3.31Å
108L74.4Confident68.8Low89 Ų8955.6 Ų55.647%0.46633%0.333SS..EExtended strand (participates in β ladder)trans-77.7138.3168.8-68.8151.7000107.7Q106 C115 E117 L126Q106-L108 PolarHBondContact O-N 3.36Å; L108-C115 PolarHBondContact N-O 3.42Å; L108-C115 PolarHBondContact O-N 3.43Å; L108-C115 PolarHBondContact O-SG 3.4Å; L108-C115 VanDerWaalsContact O-SG 3.4Å; L108-E117 HydrophobicContact CD1-CB 4.15Å; L108-L126 HydrophobicContact CD1-CD2 4.06Å
109L74.6Confident70.6Confident102 Ų10255.7 Ų55.753%0.53433%0.329SS..EExtended strand (participates in β ladder)trans-9995.7173.7-78.874000108.6L92L92-L109 HydrophobicContact CD1-CD2 4.45Å; L92-L109 HydrophobicContact CD2-CD2 4.07Å
110D72.1Confident72.4Confident42 Ų4255.3 Ų55.323%0.22533%0.326CS..EExtended strand (participates in β ladder)trans-90.2114170.1177.671.5000108.8G112 E113 Y128 R142D110-G112 PolarHBondContact O-N 3.29Å; D110-G112 VanDerWaalsContact O-N 3.17Å; D110-E113 PolarHBondContact N-O 2.61Å; D110-E113 VanDerWaalsContact N-O 3.14Å; D110-E113 PolarHBondContact O-N 2.77Å; D110-Y128 HydrophobicContact CB-CE1 4Å; D110-Y128 VanDerWaalsContact CG-OH 3.26Å; D110-Y128 WeakPolarHBondContact OD2-CE1 3.41Å; D110-Y128 VanDerWaalsContact OD2-CZ 3.32Å; D110-Y128 PolarHBondContact OD2-OH 3.41Å; D110-R142 IonicContact OD2-NH1 3.01Å; D110-R142 PolarHBondContact OD2-NH1 3.42Å
111N69.3Low74.1Confident142 Ų14253.5 Ų53.576%0.75932%0.315SS*.THydrogen-bonded Turntrans54.233.7179.2-56.4-74.4000113.9E113N111-E113 VanDerWaalsContact C-N 3.29Å; N111-E113 PolarHBondContact O-N 2.77Å
112G69.8Low75.8Confident34 Ų3454.2 Ų54.235%0.35132%0.321SS..THydrogen-bonded Turntrans79.8-0.1-177.700000115.4D110D110-G112 PolarHBondContact O-N 3.29Å; D110-G112 VanDerWaalsContact O-N 3.17Å
113E76.6Confident77.4Confident49 Ų4954.4 Ų54.423%0.22932%0.319CS..EExtended strand (participates in β ladder)trans-96.7130.6173-75.6-81.9103.500110.8D110 N111 C115 Y128 R130D110-E113 PolarHBondContact N-O 2.61Å; D110-E113 VanDerWaalsContact N-O 3.14Å; D110-E113 PolarHBondContact O-N 2.77Å; N111-E113 VanDerWaalsContact C-N 3.29Å; N111-E113 PolarHBondContact O-N 2.77Å; E113-C115 PolarHBondContact O-N 2.97Å; E113-Y128 HydrophobicContact CB-CD1 4Å; E113-Y128 HydrophobicContact CB-CE1 4.39Å; E113-R130 WeakPolarHBondContact OE1-CD 2.98Å; E113-R130 IonicContact OE1-CZ 2.79Å; E113-R130 IonicContact OE1-NE 3.71Å; E113-R130 IonicContact OE1-NH1 3.98Å; E113-R130 PolarHBondContact OE1-NH1 3.09Å; E113-R130 WeakPolarHBondContact OE2-CB 3.32Å
114P82.3Confident79.4Confident1 Ų157.1 Ų57.11%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-70.4117.2175.928.4-33.8000110.8L92 P107 V129 R130L92-P114 HydrophobicContact CD1-CB 4.21Å; L92-P114 HydrophobicContact CD1-CG 4.41Å; P107-P114 HydrophobicContact CB-CB 4.48Å; P114-V129 PolarHBondContact O-N 2.83Å; P114-R130 HydrophobicContact CG-CG 4.06Å
115C89Confident81.1Confident1 Ų153.5 Ų53.51%0.00730%0.297CS..EExtended strand (participates in β ladder)trans-122.3160.3172.971.80000111.2P107 L108 E113 L127 Y128P107-C115 CarbonylContact C-O 3.59Å; P107-C115 WeakPolarHBondContact CA-O 3.31Å; L108-C115 PolarHBondContact N-O 3.42Å; L108-C115 PolarHBondContact O-N 3.43Å; L108-C115 PolarHBondContact O-SG 3.4Å; L108-C115 VanDerWaalsContact O-SG 3.4Å; E113-C115 PolarHBondContact O-N 2.97Å; C115-L127 CarbonylContact C-O 3.4Å; C115-L127 WeakPolarHBondContact CA-O 3.34Å; C115-L127 WeakPolarHBondContact CB-O 3.4Å; C115-Y128 HydrophobicContact CB-CD1 4Å; C115-Y128 HydrophobicContact CB-CD2 4.27Å; C115-Y128 HydrophobicContact CB-CE1 4.28Å; C115-Y128 HydrophobicContact CB-CE2 4.49Å; C115-Y128 HydrophobicContact CB-CG 4.02Å
116I89.8Confident82.5Confident11 Ų1155.3 Ų55.36%0.05631%0.307CS..EExtended strand (participates in β ladder)trans-127.4140.2173.362.2168.4000109.2V118 L127 V129 H171 L179 L185I116-V118 HydrophobicContact CD1-CG1 4.34Å; I116-V118 HydrophobicContact CG1-CG1 4.19Å; I116-V118 PolarHBondContact O-N 2.82Å; I116-L127 HydrophobicContact CD1-CD2 4.22Å; I116-L127 HydrophobicContact CG1-CB 4.11Å; I116-L127 HydrophobicContact CG1-CD2 4.19Å; I116-L127 HydrophobicContact CG1-CG 4.3Å; I116-L127 PolarHBondContact N-O 3.46Å; I116-L127 PolarHBondContact O-N 3.08Å; I116-V129 HydrophobicContact CG2-CG2 4.28Å; I116-H171 HydrophobicContact CD1-CB 4.33Å; I116-L179 HydrophobicContact CD1-CD1 3.96Å; I116-L185 HydrophobicContact CD1-CD1 4.07Å; I116-L185 HydrophobicContact CD1-CD2 4.21Å
117E91.1Very high84Confident65 Ų6549 Ų4930%0.30428%0.278SS..EExtended strand (participates in β ladder)trans-71.5123.9175.5-173177.2-155.200110.1L108 R124 A125 L126 H171L108-E117 HydrophobicContact CD1-CB 4.15Å; E117-R124 IonicContact OE1-CZ 3.9Å; E117-R124 IonicContact OE1-NE 2.75Å; E117-R124 PolarHBondContact OE1-NE 2.67Å; E117-R124 IonicContact OE1-NH2 3.81Å; E117-R124 PolarHBondContact OE1-NH2 2.8Å; E117-R124 IonicContact OE2-CZ 2.75Å; E117-R124 IonicContact OE2-NE 3.64Å; E117-R124 IonicContact OE2-NH2 3.73Å; E117-R124 PolarHBondContact OE2-NH2 3.17Å; E117-A125 CarbonylContact C-O 3.46Å; E117-A125 WeakPolarHBondContact CA-O 3.37Å; E117-L126 HydrophobicContact CB-CD2 4.21Å; E117-L126 HydrophobicContact CG-CD2 4.5Å; E117-H171 PolarHBondContact O-ND1 2.86Å
118V92.4Very high85.1Confident1 Ų147.5 Ų47.51%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-115.8140.5179-690000111.9I116 R124 A125 L127 I141 F153 I169 R170 L176I116-V118 HydrophobicContact CD1-CG1 4.34Å; I116-V118 HydrophobicContact CG1-CG1 4.19Å; I116-V118 PolarHBondContact O-N 2.82Å; V118-R124 CarbonylContact O-C 3.5Å; V118-R124 WeakPolarHBondContact O-CA 3.29Å; V118-A125 HydrophobicContact CG2-CB 4.28Å; V118-A125 WeakPolarHBondContact CG2-O 3.49Å; V118-A125 PolarHBondContact N-O 3.18Å; V118-A125 PolarHBondContact O-N 2.81Å; V118-L127 HydrophobicContact CB-CB 4.38Å; V118-L127 HydrophobicContact CG1-CB 3.65Å; V118-L127 HydrophobicContact CG1-CD2 3.74Å; V118-L127 HydrophobicContact CG1-CG 4.36Å; V118-L127 HydrophobicContact CG2-CB 3.79Å; V118-I141 HydrophobicContact CG2-CD1 4.31Å; V118-I141 HydrophobicContact CG2-CG2 4.19Å; V118-F153 HydrophobicContact CG2-CE1 4.03Å; V118-I169 HydrophobicContact CB-CG2 3.67Å; V118-I169 HydrophobicContact CG1-CG2 4.09Å; V118-I169 HydrophobicContact CG2-CG2 4.13Å; V118-R170 CarbonylContact C-O 3.55Å; V118-R170 WeakPolarHBondContact CA-O 3.41Å; V118-R170 WeakPolarHBondContact CB-O 3.44Å; V118-L176 HydrophobicContact CG1-CD2 4.12Å
119E92.9Very high85.7Confident65 Ų6543.9 Ų43.930%0.30425%0.249SC..EExtended strand (participates in β ladder)trans-111.3142.5177.670.9-155.214600110.2N123 I169 R170 K172 G173E119-N123 CarbonylContact C-O 3.56Å; E119-N123 WeakPolarHBondContact CA-O 3.47Å; E119-I169 WeakPolarHBondContact O-CA 3.5Å; E119-R170 HydrophobicContact CG-CB 3.71Å; E119-R170 PolarHBondContact N-O 2.9Å; E119-R170 PolarHBondContact O-N 2.88Å; E119-R170 WeakPolarHBondContact OE1-CB 3.41Å; E119-K172 PolarHBondContact OE1-N 3.27Å; E119-G173 WeakPolarHBondContact OE1-CA 3.2Å; E119-G173 PolarHBondContact OE1-N 3.15Å
120C91.3Very high85.8Confident1 Ų141.7 Ų41.71%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-143.1108.9171.3-162.60000108.6A122 N123 F153 S157 S168 I169C120-A122 PolarHBondContact O-N 3.45Å; C120-A122 VanDerWaalsContact O-N 3.14Å; C120-N123 PolarHBondContact N-O 3.07Å; C120-N123 PolarHBondContact O-N 3.21Å; C120-N123 VanDerWaalsContact O-N 3.09Å; C120-F153 HydrophobicContact CB-CD1 4.06Å; C120-F153 HydrophobicContact CB-CE1 3.47Å; C120-F153 VanDerWaalsContact CB-CE1 3.47Å; C120-F153 HydrophobicContact CB-CZ 3.84Å; C120-S157 VanDerWaalsContact O-CB 3.3Å; C120-S157 WeakPolarHBondContact O-CB 3.38Å; C120-S157 PolarHBondContact O-OG 3.3Å; C120-S168 PolarHBondContact SG-O 3.5Å; C120-I169 HydrophobicContact CB-CG1 4.15Å
121G87.1Confident86.3Confident41 Ų4143.5 Ų43.542%0.42324%0.239SC..THydrogen-bonded Turntrans60.5-118.6-168.500000110.8
122A86.8Confident86.9Confident103 Ų10336.8 Ų36.885%0.85120%0.204SC*.THydrogen-bonded Turntrans-95.7-10.1177.200000114.2C120C120-A122 PolarHBondContact O-N 3.45Å; C120-A122 VanDerWaalsContact O-N 3.14Å
123N91.6Very high87.3Confident26 Ų2635.7 Ų35.714%0.13919%0.191CC..EExtended strand (participates in β ladder)trans-85.8140.6-179.3-72.6-33.1000111.4E119 C120 F153 V156 S157E119-N123 CarbonylContact C-O 3.56Å; E119-N123 WeakPolarHBondContact CA-O 3.47Å; C120-N123 PolarHBondContact N-O 3.07Å; C120-N123 PolarHBondContact O-N 3.21Å; C120-N123 VanDerWaalsContact O-N 3.09Å; N123-F153 HydrophobicContact CB-CE2 3.92Å; N123-F153 HydrophobicContact CB-CZ 4.2Å; N123-V156 PolarHBondContact ND2-O 2.93Å; N123-S157 VanDerWaalsContact ND2-CA 3.34Å; N123-S157 WeakPolarHBondContact ND2-CA 3.35Å; N123-S157 PolarHBondContact ND2-OG 2.9Å
124R91.8Very high87.1Confident164 Ų16435.5 Ų35.562%0.61919%0.19SC*.EExtended strand (participates in β ladder)trans-116.5140.1172.9-66.7168.567160.53.8109.8E117 V118 H143E117-R124 IonicContact OE1-CZ 3.9Å; E117-R124 IonicContact OE1-NE 2.75Å; E117-R124 PolarHBondContact OE1-NE 2.67Å; E117-R124 IonicContact OE1-NH2 3.81Å; E117-R124 PolarHBondContact OE1-NH2 2.8Å; E117-R124 IonicContact OE2-CZ 2.75Å; E117-R124 IonicContact OE2-NE 3.64Å; E117-R124 IonicContact OE2-NH2 3.73Å; E117-R124 PolarHBondContact OE2-NH2 3.17Å; V118-R124 CarbonylContact O-C 3.5Å; V118-R124 WeakPolarHBondContact O-CA 3.29Å; R124-H143 PolarHBondContact O-CD2 3.19Å
125A92.9Very high87.1Confident7 Ų735.7 Ų35.76%0.05819%0.192CC..EExtended strand (participates in β ladder)trans-152.8167.9-176.200000111.6E117 V118 I141 R142 H143 F153E117-A125 CarbonylContact C-O 3.46Å; E117-A125 WeakPolarHBondContact CA-O 3.37Å; V118-A125 HydrophobicContact CG2-CB 4.28Å; V118-A125 WeakPolarHBondContact CG2-O 3.49Å; V118-A125 PolarHBondContact N-O 3.18Å; V118-A125 PolarHBondContact O-N 2.81Å; A125-I141 HydrophobicContact CB-CG2 3.43Å; A125-I141 VanDerWaalsContact CB-CG2 3.43Å; A125-R142 WeakPolarHBondContact CB-O 3.37Å; A125-H143 HydrophobicContact CB-CB 3.85Å; A125-F153 HydrophobicContact CB-CD2 4.14Å; A125-F153 HydrophobicContact CB-CE1 4.23Å; A125-F153 HydrophobicContact CB-CE2 3.51Å; A125-F153 HydrophobicContact CB-CZ 3.56Å
126L92.4Very high86.7Confident50 Ų5037.6 Ų37.626%0.26221%0.205SC..EExtended strand (participates in β ladder)trans-104.7116.2178.7-63.9176.4000111.1L108 E117 Y128 I141 R142L108-L126 HydrophobicContact CD1-CD2 4.06Å; E117-L126 HydrophobicContact CB-CD2 4.21Å; E117-L126 HydrophobicContact CG-CD2 4.5Å; L126-Y128 HydrophobicContact CB-CE2 4.07Å; L126-Y128 WeakPolarHBondContact O-CD2 3.49Å; L126-I141 CarbonylContact O-C 3.58Å; L126-I141 WeakPolarHBondContact O-CA 3.28Å; L126-R142 PolarHBondContact N-O 3.5Å; L126-R142 PolarHBondContact O-N 3.26Å
127L90.6Very high86.3Confident0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-92.8116.2175.9168.660.2000110.2C115 I116 V118 V129 L132 I141 L176 L185C115-L127 CarbonylContact C-O 3.4Å; C115-L127 WeakPolarHBondContact CA-O 3.34Å; C115-L127 WeakPolarHBondContact CB-O 3.4Å; I116-L127 HydrophobicContact CD1-CD2 4.22Å; I116-L127 HydrophobicContact CG1-CB 4.11Å; I116-L127 HydrophobicContact CG1-CD2 4.19Å; I116-L127 HydrophobicContact CG1-CG 4.3Å; I116-L127 PolarHBondContact N-O 3.46Å; I116-L127 PolarHBondContact O-N 3.08Å; V118-L127 HydrophobicContact CB-CB 4.38Å; V118-L127 HydrophobicContact CG1-CB 3.65Å; V118-L127 HydrophobicContact CG1-CD2 3.74Å; V118-L127 HydrophobicContact CG1-CG 4.36Å; V118-L127 HydrophobicContact CG2-CB 3.79Å; L127-V129 PolarHBondContact O-N 3.1Å; L127-L132 HydrophobicContact CD1-CB 4.3Å; L127-L132 HydrophobicContact CD1-CD1 4.1Å; L127-L132 HydrophobicContact CD1-CD2 4.32Å; L127-L132 HydrophobicContact CD1-CG 4.46Å; L127-L132 HydrophobicContact CD2-CD2 4.19Å; L127-I141 HydrophobicContact CB-CG1 4.19Å; L127-I141 HydrophobicContact CD1-CG1 3.75Å; L127-I141 HydrophobicContact CG-CG1 4.5Å; L127-L176 HydrophobicContact CD2-CD1 4.1Å; L127-L176 HydrophobicContact CD2-CD2 3.7Å; L127-L185 HydrophobicContact CD2-CD1 4.25Å
128Y88.6Confident86Confident4 Ų441.6 Ų41.62%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-85.4113.3-179.8-68-107.9000109.6D110 E113 C115 L126 R130 K131 L132 S140 R142 W147D110-Y128 HydrophobicContact CB-CE1 4Å; D110-Y128 VanDerWaalsContact CG-OH 3.26Å; D110-Y128 WeakPolarHBondContact OD2-CE1 3.41Å; D110-Y128 VanDerWaalsContact OD2-CZ 3.32Å; D110-Y128 PolarHBondContact OD2-OH 3.41Å; E113-Y128 HydrophobicContact CB-CD1 4Å; E113-Y128 HydrophobicContact CB-CE1 4.39Å; C115-Y128 HydrophobicContact CB-CD1 4Å; C115-Y128 HydrophobicContact CB-CD2 4.27Å; C115-Y128 HydrophobicContact CB-CE1 4.28Å; C115-Y128 HydrophobicContact CB-CE2 4.49Å; C115-Y128 HydrophobicContact CB-CG 4.02Å; L126-Y128 HydrophobicContact CB-CE2 4.07Å; L126-Y128 WeakPolarHBondContact O-CD2 3.49Å; Y128-R130 VanDerWaalsContact C-N 3.34Å; Y128-R130 PolarHBondContact O-N 2.78Å; Y128-K131 HydrophobicContact CG-CD 4.38Å; Y128-K131 PolarHBondContact O-N 2.87Å; Y128-L132 PolarHBondContact O-N 3.19Å; Y128-S140 PolarHBondContact N-O 3.02Å; Y128-R142 HydrophobicContact CD2-CB 4.43Å; Y128-R142 HydrophobicContact CE2-CB 3.65Å; Y128-R142 WeakPolarHBondContact OH-CD 3.29Å; Y128-R142 PolarHBondContact OH-NH1 3.45Å; Y128-R142 VanDerWaalsContact OH-NH1 3.1Å; Y128-W147 HydrophobicContact CD1-CH2 4.06Å; Y128-W147 AromaticContact CD2-CH2 3.38Å; Y128-W147 HydrophobicContact CD2-CH2 3.38Å; Y128-W147 AromaticContact CD2-CZ3 3.42Å; Y128-W147 HydrophobicContact CD2-CZ3 3.42Å; Y128-W147 VanDerWaalsContact CD2-CZ3 3.42Å; Y128-W147 AromaticContact CE1-CH2 3.98Å; Y128-W147 HydrophobicContact CE1-CH2 3.98Å; Y128-W147 AromaticContact CE2-CH2 3.32Å; Y128-W147 HydrophobicContact CE2-CH2 3.32Å; Y128-W147 HydrophobicContact CE2-CZ2 4.24Å; Y128-W147 AromaticContact CE2-CZ3 3.72Å; Y128-W147 HydrophobicContact CE2-CZ3 3.72Å; Y128-W147 AromaticContact CG-CH2 3.76Å; Y128-W147 HydrophobicContact CG-CH2 3.76Å; Y128-W147 AromaticContact CG-CZ3 3.97Å; Y128-W147 HydrophobicContact CG-CZ3 3.97Å; Y128-W147 AromaticContact CZ-CH2 3.61Å
129V86Confident85.7Confident12 Ų1244.2 Ų44.27%0.07324%0.238CC..G310 helixtrans-61.8-43.4-169.8-179.30000110.9F95 P114 I116 L127 K131 L132 L185F95-V129 HydrophobicContact CD1-CG1 4.17Å; F95-V129 HydrophobicContact CE1-CG1 3.6Å; F95-V129 HydrophobicContact CE2-CG1 4.41Å; F95-V129 HydrophobicContact CZ-CG1 3.75Å; P114-V129 PolarHBondContact O-N 2.83Å; I116-V129 HydrophobicContact CG2-CG2 4.28Å; L127-V129 PolarHBondContact O-N 3.1Å; V129-K131 PolarHBondContact O-N 3.18Å; V129-K131 VanDerWaalsContact O-N 3.17Å; V129-L132 PolarHBondContact O-N 2.61Å; V129-L185 HydrophobicContact CB-CD2 4.33Å; V129-L185 HydrophobicContact CG1-CD2 3.75Å; V129-L185 HydrophobicContact CG2-CD2 3.82Å
130R78.5Confident85.6Confident56 Ų5641.1 Ų41.121%0.21122%0.224CC..G310 helixtrans-64.6-13.5175.5-71.7177.5175-171.7-10.3114.6R87 D88 E113 P114 Y128 C133R87-R130 PolarHBondContact O-NH2 3.17Å; D88-R130 PolarHBondContact O-NH2 3.19Å; D88-R130 VanDerWaalsContact O-NH2 3.15Å; E113-R130 WeakPolarHBondContact OE1-CD 2.98Å; E113-R130 IonicContact OE1-CZ 2.79Å; E113-R130 IonicContact OE1-NE 3.71Å; E113-R130 IonicContact OE1-NH1 3.98Å; E113-R130 PolarHBondContact OE1-NH1 3.09Å; E113-R130 WeakPolarHBondContact OE2-CB 3.32Å; P114-R130 HydrophobicContact CG-CG 4.06Å; Y128-R130 VanDerWaalsContact C-N 3.34Å; Y128-R130 PolarHBondContact O-N 2.78Å; R130-C133 PolarHBondContact O-SG 3.09Å
131K81.5Confident85.6Confident80 Ų8041 Ų4135%0.34822%0.224SC..G310 helixtrans-101.9-14.3177.4-60.7-175.7-176.5178.50113.2Y128 V129 C133 W147Y128-K131 HydrophobicContact CG-CD 4.38Å; Y128-K131 PolarHBondContact O-N 2.87Å; V129-K131 PolarHBondContact O-N 3.18Å; V129-K131 VanDerWaalsContact O-N 3.17Å; K131-C133 PolarHBondContact O-N 3.18Å; K131-W147 HydrophobicContact CD-CH2 3.88Å; K131-W147 HydrophobicContact CD-CZ3 3.7Å
132L82.8Confident85.8Confident1 Ų143.3 Ų43.31%0.00522%0.219CC..G310 helixtrans-68.5-1.4178-171.556.6000113.6L127 Y128 V129 Q134 G135 P150 W165 L185 V187L127-L132 HydrophobicContact CD1-CB 4.3Å; L127-L132 HydrophobicContact CD1-CD1 4.1Å; L127-L132 HydrophobicContact CD1-CD2 4.32Å; L127-L132 HydrophobicContact CD1-CG 4.46Å; L127-L132 HydrophobicContact CD2-CD2 4.19Å; Y128-L132 PolarHBondContact O-N 3.19Å; V129-L132 PolarHBondContact O-N 2.61Å; L132-Q134 PolarHBondContact O-N 2.82Å; L132-G135 PolarHBondContact O-N 3.32Å; L132-P150 HydrophobicContact CD1-CG 4.18Å; L132-W165 HydrophobicContact CD1-CH2 4.25Å; L132-W165 HydrophobicContact CD1-CZ3 4.33Å; L132-L185 HydrophobicContact CD2-CB 4.31Å; L132-L185 HydrophobicContact CD2-CD1 3.96Å; L132-L185 HydrophobicContact CD2-CD2 4.39Å; L132-L185 HydrophobicContact CD2-CG 4.47Å; L132-V187 HydrophobicContact CG-CG1 4.16Å
133C77.1Confident86Confident12 Ų1238.9 Ų38.98%0.08118%0.181CC..G310 helixtrans-45-38.5-176.7-60.30000115.1R130 K131 H188R130-C133 PolarHBondContact O-SG 3.09Å; K131-C133 PolarHBondContact O-N 3.18Å; C133-H188 HydrophobicContact CB-CB 4.46Å; C133-H188 WeakPolarHBondContact O-CB 3.37Å; C133-H188 PolarHBondContact O-N 3.01Å; C133-H188 PolarHBondContact SG-CE1 3.36Å
134Q73.6Confident85.9Confident44 Ų4447.5 Ų47.521%0.20621%0.212CC..G310 helixtrans-93.82.1179.3-71.5-167.9-24.500115.2L132 S136 K137 C197 S200L132-Q134 PolarHBondContact O-N 2.82Å; Q134-S136 PolarHBondContact O-N 2.96Å; Q134-K137 HydrophobicContact CB-CB 4.44Å; Q134-K137 PolarHBondContact O-N 3.34Å; Q134-C197 HydrophobicContact CG-CB 4.32Å; Q134-C197 PolarHBondContact NE2-O 2.84Å; Q134-S200 PolarHBondContact NE2-O 3.38Å; Q134-S200 PolarHBondContact NE2-OG 3.24Å; Q134-S200 PolarHBondContact OE1-O 2.96Å; Q134-S200 PolarHBondContact OE1-OG 3.05Å
135G81.8Confident85.6Confident5 Ų542 Ų425%0.05221%0.206CC..G310 helixtrans56.4-121.7-175.600000112.2L132 K137 G138 P150L132-G135 PolarHBondContact O-N 3.32Å; G135-K137 VanDerWaalsContact C-N 3.25Å; G135-K137 PolarHBondContact O-N 3.01Å; G135-G138 PolarHBondContact O-N 2.98Å; G135-P150 VanDerWaalsContact O-CD 3.31Å; G135-P150 WeakPolarHBondContact O-CD 3.06Å
136S80.3Confident85.5Confident42 Ų4248 Ų4829%0.29423%0.233SC..G310 helixtrans-65.6-16-176.241.10000116Q134 N151Q134-S136 PolarHBondContact O-N 2.96Å; S136-N151 VanDerWaalsContact CB-OD1 3.3Å; S136-N151 WeakPolarHBondContact CB-OD1 3.17Å
137K80.7Confident85.4Confident159 Ų15950.7 Ų50.769%0.69124%0.24SC*.G310 helixtrans-95.4-15.3-177.2-63.3-171.6179.4-1770114.3Q134 G135Q134-K137 HydrophobicContact CB-CB 4.44Å; Q134-K137 PolarHBondContact O-N 3.34Å; G135-K137 VanDerWaalsContact C-N 3.25Å; G135-K137 PolarHBondContact O-N 3.01Å
138G84.6Confident85.4Confident1 Ų151.6 Ų51.61%0.0124%0.244CC..SBendtrans-105.9130.5-174.300000112.7G135 S140G135-G138 PolarHBondContact O-N 2.98Å; G138-S140 PolarHBondContact O-N 2.82Å; G138-S140 PolarHBondContact O-OG 2.9Å
139P87.3Confident85.5Confident55 Ų5552.1 Ų52.136%0.35725%0.248SC..  trans-64.2117.7171.227.4-32.8000109.1W147P139-W147 HydrophobicContact CB-CB 4.28Å
140S89.8Confident85.7Confident0 Ų051.6 Ų51.60%025%0.245CC..  trans-145.3-16-167.146.20000113.6Y128 G138 L148Y128-S140 PolarHBondContact N-O 3.02Å; G138-S140 PolarHBondContact O-N 2.82Å; G138-S140 PolarHBondContact O-OG 2.9Å; S140-L148 PolarHBondContact N-O 3.08Å
141I91.2Very high86.2Confident0 Ų052.6 Ų52.60%026%0.255CS..EExtended strand (participates in β ladder)trans-106.1133.4175.6-59.6179.3000108.4V118 A125 L126 L127 L148 P150 F153 I169V118-I141 HydrophobicContact CG2-CD1 4.31Å; V118-I141 HydrophobicContact CG2-CG2 4.19Å; A125-I141 HydrophobicContact CB-CG2 3.43Å; A125-I141 VanDerWaalsContact CB-CG2 3.43Å; L126-I141 CarbonylContact O-C 3.58Å; L126-I141 WeakPolarHBondContact O-CA 3.28Å; L127-I141 HydrophobicContact CB-CG1 4.19Å; L127-I141 HydrophobicContact CD1-CG1 3.75Å; L127-I141 HydrophobicContact CG-CG1 4.5Å; I141-L148 PolarHBondContact N-O 2.97Å; I141-L148 PolarHBondContact O-N 3.42Å; I141-P150 HydrophobicContact CD1-CB 4.32Å; I141-P150 HydrophobicContact CD1-CG 4.38Å; I141-F153 HydrophobicContact CB-CB 4.46Å; I141-F153 HydrophobicContact CD1-CB 3.94Å; I141-F153 HydrophobicContact CD1-CD1 3.59Å; I141-F153 HydrophobicContact CD1-CE1 4.44Å; I141-F153 HydrophobicContact CD1-CG 4.03Å; I141-F153 HydrophobicContact CG2-CB 4.24Å; I141-F153 HydrophobicContact CG2-CD1 4.04Å; I141-F153 HydrophobicContact CG2-CD2 4.2Å; I141-F153 HydrophobicContact CG2-CE1 4.46Å; I141-F153 HydrophobicContact CG2-CG 3.89Å; I141-I169 HydrophobicContact CD1-CD1 3.89Å
142R91.4Very high86.6Confident88 Ų8853.3 Ų53.333%0.33226%0.259SS..EExtended strand (participates in β ladder)trans-106.6113.7174.3-166.9179.5-179.9-163.8-2.3109.4D110 A125 L126 Y128 E146 W147D110-R142 IonicContact OD2-NH1 3.01Å; D110-R142 PolarHBondContact OD2-NH1 3.42Å; A125-R142 WeakPolarHBondContact CB-O 3.37Å; L126-R142 PolarHBondContact N-O 3.5Å; L126-R142 PolarHBondContact O-N 3.26Å; Y128-R142 HydrophobicContact CD2-CB 4.43Å; Y128-R142 HydrophobicContact CE2-CB 3.65Å; Y128-R142 WeakPolarHBondContact OH-CD 3.29Å; Y128-R142 PolarHBondContact OH-NH1 3.45Å; Y128-R142 VanDerWaalsContact OH-NH1 3.1Å; R142-E146 CarbonylContact C-O 3.2Å; R142-E146 VanDerWaalsContact CA-O 3.24Å; R142-E146 WeakPolarHBondContact CA-O 3.44Å; R142-W147 HydrophobicContact CB-CE3 4.35Å; R142-W147 HydrophobicContact CB-CH2 4.39Å; R142-W147 HydrophobicContact CB-CZ3 4.27Å
143H92.4Very high87Confident10 Ų1053.2 Ų53.25%0.04626%0.259CS..EExtended strand (participates in β ladder)trans-125.4124.1-177175.2-118.1000108.8R124 A125 G145 E146 L148 F153R124-H143 PolarHBondContact O-CD2 3.19Å; A125-H143 HydrophobicContact CB-CB 3.85Å; H143-G145 PolarHBondContact O-N 2.78Å; H143-E146 PolarHBondContact N-O 2.94Å; H143-E146 PolarHBondContact O-N 3.29Å; H143-L148 HydrophobicContact CB-CD1 3.95Å; H143-F153 HydrophobicContact CB-CD2 4.12Å; H143-F153 HydrophobicContact CB-CE2 4.28Å; H143-F153 AromaticContact CD2-CE2 3.87Å
144R88.2Confident87.6Confident208 Ų20853.1 Ų53.179%0.78526%0.257SS*.THydrogen-bonded Turntrans5227.5-178.7-55.9180-172.1-151.60.6114.6
145G85.4Confident88.4Confident49 Ų4957.1 Ų57.151%0.50527%0.274SS..THydrogen-bonded Turntrans97.5-26.1-177.200000114.7H143H143-G145 PolarHBondContact O-N 2.78Å
146E90.6Very high88.7Confident133 Ų13360.4 Ų60.462%0.62129%0.293SS*.EExtended strand (participates in β ladder)trans-80.9152.9-178.6-59.7-173.8144.400112.8R142 H143R142-E146 CarbonylContact C-O 3.2Å; R142-E146 VanDerWaalsContact CA-O 3.24Å; R142-E146 WeakPolarHBondContact CA-O 3.44Å; H143-E146 PolarHBondContact N-O 2.94Å; H143-E146 PolarHBondContact O-N 3.29Å
147W90.8Very high89Confident105 Ų10559.2 Ų59.240%0.39828%0.284SS..EExtended strand (participates in β ladder)trans-99.8111.9177.2-75.297.5000111.2Y128 K131 P139 R142Y128-W147 HydrophobicContact CD1-CH2 4.06Å; Y128-W147 AromaticContact CD2-CH2 3.38Å; Y128-W147 HydrophobicContact CD2-CH2 3.38Å; Y128-W147 AromaticContact CD2-CZ3 3.42Å; Y128-W147 HydrophobicContact CD2-CZ3 3.42Å; Y128-W147 VanDerWaalsContact CD2-CZ3 3.42Å; Y128-W147 AromaticContact CE1-CH2 3.98Å; Y128-W147 HydrophobicContact CE1-CH2 3.98Å; Y128-W147 AromaticContact CE2-CH2 3.32Å; Y128-W147 HydrophobicContact CE2-CH2 3.32Å; Y128-W147 HydrophobicContact CE2-CZ2 4.24Å; Y128-W147 AromaticContact CE2-CZ3 3.72Å; Y128-W147 HydrophobicContact CE2-CZ3 3.72Å; Y128-W147 AromaticContact CG-CH2 3.76Å; Y128-W147 HydrophobicContact CG-CH2 3.76Å; Y128-W147 AromaticContact CG-CZ3 3.97Å; Y128-W147 HydrophobicContact CG-CZ3 3.97Å; Y128-W147 AromaticContact CZ-CH2 3.61Å; K131-W147 HydrophobicContact CD-CH2 3.88Å; K131-W147 HydrophobicContact CD-CZ3 3.7Å; P139-W147 HydrophobicContact CB-CB 4.28Å; R142-W147 HydrophobicContact CB-CE3 4.35Å; R142-W147 HydrophobicContact CB-CH2 4.39Å; R142-W147 HydrophobicContact CB-CZ3 4.27Å
148L90.1Very high89Confident19 Ų1954.8 Ų54.810%0.09928%0.284CS..EExtended strand (participates in β ladder)trans-111.8149.6-178.6-56.3-177.7000111.6S140 I141 H143 E152 F153 V156S140-L148 PolarHBondContact N-O 3.08Å; I141-L148 PolarHBondContact N-O 2.97Å; I141-L148 PolarHBondContact O-N 3.42Å; H143-L148 HydrophobicContact CB-CD1 3.95Å; L148-E152 HydrophobicContact CB-CB 4.13Å; L148-E152 HydrophobicContact CD2-CB 4.24Å; L148-F153 HydrophobicContact CB-CB 4.29Å; L148-F153 HydrophobicContact CD1-CB 4.2Å; L148-F153 HydrophobicContact CD1-CD2 4.38Å; L148-V156 HydrophobicContact CD1-CG2 4.32Å
149T90.7Very high88.8Confident16 Ų1660.1 Ų60.110%0.09830%0.304CS..  trans-70.6162159.963.10000110.6N151 E152 F153T149-N151 PolarHBondContact O-N 3.42Å; T149-E152 VanDerWaalsContact CB-OE2 3.23Å; T149-E152 WeakPolarHBondContact CB-OE2 3.45Å; T149-E152 VanDerWaalsContact CG2-OE2 3.24Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.42Å; T149-E152 PolarHBondContact N-OE2 3.45Å; T149-E152 PolarHBondContact O-N 3.27Å; T149-E152 WeakPolarHBondContact OG1-CG 3.33Å; T149-E152 PolarHBondContact OG1-N 2.85Å; T149-E152 VanDerWaalsContact OG1-N 3.16Å; T149-E152 PolarHBondContact OG1-OE2 2.88Å; T149-F153 PolarHBondContact O-N 3.02Å
150P90.8Very high88.1Confident0 Ų063.6 Ų63.60%032%0.315CS..Hα-helixtrans-58.8-27.2172-25.936000114.2L132 G135 I141 Q154 W165 I169L132-P150 HydrophobicContact CD1-CG 4.18Å; G135-P150 VanDerWaalsContact O-CD 3.31Å; G135-P150 WeakPolarHBondContact O-CD 3.06Å; I141-P150 HydrophobicContact CD1-CB 4.32Å; I141-P150 HydrophobicContact CD1-CG 4.38Å; P150-Q154 WeakPolarHBondContact O-CB 3.47Å; P150-Q154 PolarHBondContact O-N 2.73Å; P150-W165 HydrophobicContact CB-CB 4.29Å; P150-W165 HydrophobicContact CB-CD2 3.66Å; P150-W165 HydrophobicContact CB-CE3 3.4Å; P150-W165 VanDerWaalsContact CB-CE3 3.4Å; P150-W165 HydrophobicContact CB-CG 4.07Å; P150-W165 HydrophobicContact CB-CZ3 3.9Å; P150-W165 HydrophobicContact CG-CE3 4.09Å; P150-W165 HydrophobicContact CG-CH2 4.47Å; P150-W165 HydrophobicContact CG-CZ3 4.07Å; P150-I169 HydrophobicContact CB-CD1 3.95Å; P150-I169 WeakPolarHBondContact O-CD1 3.48Å
151N89.9Confident87.2Confident78 Ų7869.9 Ų69.942%0.41735%0.354SS..Hα-helixtrans-72.6-46.5175.3-72.46.8000111.4S136 T149 Q154 F155S136-N151 VanDerWaalsContact CB-OD1 3.3Å; S136-N151 WeakPolarHBondContact CB-OD1 3.17Å; T149-N151 PolarHBondContact O-N 3.42Å; N151-Q154 WeakPolarHBondContact O-CB 3.43Å; N151-Q154 PolarHBondContact O-N 2.98Å; N151-F155 PolarHBondContact O-N 3.21Å
152E90.3Very high86.3Confident94 Ų9471.8 Ų71.844%0.43937%0.369SS..Hα-helixtrans-67.1-40.5179.8-69.9150.4160.800111.6L148 T149 Q154 F155 V156L148-E152 HydrophobicContact CB-CB 4.13Å; L148-E152 HydrophobicContact CD2-CB 4.24Å; T149-E152 VanDerWaalsContact CB-OE2 3.23Å; T149-E152 WeakPolarHBondContact CB-OE2 3.45Å; T149-E152 VanDerWaalsContact CG2-OE2 3.24Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.42Å; T149-E152 PolarHBondContact N-OE2 3.45Å; T149-E152 PolarHBondContact O-N 3.27Å; T149-E152 WeakPolarHBondContact OG1-CG 3.33Å; T149-E152 PolarHBondContact OG1-N 2.85Å; T149-E152 VanDerWaalsContact OG1-N 3.16Å; T149-E152 PolarHBondContact OG1-OE2 2.88Å; E152-Q154 VanDerWaalsContact C-N 3.28Å; E152-Q154 PolarHBondContact O-N 3.32Å; E152-F155 WeakPolarHBondContact O-CB 3.45Å; E152-F155 PolarHBondContact O-N 3.34Å; E152-V156 WeakPolarHBondContact O-CB 3.39Å; E152-V156 WeakPolarHBondContact O-CG2 3.4Å; E152-V156 PolarHBondContact O-N 3.09Å
153F91Very high85.6Confident0 Ų077.4 Ų77.40%040%0.396CS..Hα-helixtrans-62.3-36174.5179.3-122.7000112.3V118 C120 N123 A125 I141 H143 L148 T149 S157 I169V118-F153 HydrophobicContact CG2-CE1 4.03Å; C120-F153 HydrophobicContact CB-CD1 4.06Å; C120-F153 HydrophobicContact CB-CE1 3.47Å; C120-F153 VanDerWaalsContact CB-CE1 3.47Å; C120-F153 HydrophobicContact CB-CZ 3.84Å; N123-F153 HydrophobicContact CB-CE2 3.92Å; N123-F153 HydrophobicContact CB-CZ 4.2Å; A125-F153 HydrophobicContact CB-CD2 4.14Å; A125-F153 HydrophobicContact CB-CE1 4.23Å; A125-F153 HydrophobicContact CB-CE2 3.51Å; A125-F153 HydrophobicContact CB-CZ 3.56Å; I141-F153 HydrophobicContact CB-CB 4.46Å; I141-F153 HydrophobicContact CD1-CB 3.94Å; I141-F153 HydrophobicContact CD1-CD1 3.59Å; I141-F153 HydrophobicContact CD1-CE1 4.44Å; I141-F153 HydrophobicContact CD1-CG 4.03Å; I141-F153 HydrophobicContact CG2-CB 4.24Å; I141-F153 HydrophobicContact CG2-CD1 4.04Å; I141-F153 HydrophobicContact CG2-CD2 4.2Å; I141-F153 HydrophobicContact CG2-CE1 4.46Å; I141-F153 HydrophobicContact CG2-CG 3.89Å; H143-F153 HydrophobicContact CB-CD2 4.12Å; H143-F153 HydrophobicContact CB-CE2 4.28Å; H143-F153 AromaticContact CD2-CE2 3.87Å; L148-F153 HydrophobicContact CB-CB 4.29Å; L148-F153 HydrophobicContact CD1-CB 4.2Å; L148-F153 HydrophobicContact CD1-CD2 4.38Å; T149-F153 PolarHBondContact O-N 3.02Å; F153-S157 VanDerWaalsContact O-CB 3.27Å; F153-S157 WeakPolarHBondContact O-CB 3.29Å; F153-S157 PolarHBondContact O-N 2.9Å; F153-S157 PolarHBondContact O-OG 3.09Å; F153-I169 HydrophobicContact CD1-CD1 3.91Å; F153-I169 HydrophobicContact CD1-CG1 4Å; F153-I169 HydrophobicContact CD1-CG2 4.43Å; F153-I169 HydrophobicContact CE1-CG1 4.35Å; F153-I169 HydrophobicContact CE1-CG2 4.21Å
154Q89.9Confident85.3Confident9 Ų980.4 Ų80.44%0.04241%0.412CS..Hα-helixtrans-66.8-41.8173.7-179.5-177.4-3.200112.3P150 N151 E152 S157 R159 A162 W165 S168P150-Q154 WeakPolarHBondContact O-CB 3.47Å; P150-Q154 PolarHBondContact O-N 2.73Å; N151-Q154 WeakPolarHBondContact O-CB 3.43Å; N151-Q154 PolarHBondContact O-N 2.98Å; E152-Q154 VanDerWaalsContact C-N 3.28Å; E152-Q154 PolarHBondContact O-N 3.32Å; Q154-S157 PolarHBondContact O-N 3.29Å; Q154-R159 HydrophobicContact CG-CB 3.84Å; Q154-R159 WeakPolarHBondContact CG-O 3.47Å; Q154-R159 PolarHBondContact NE2-O 3.13Å; Q154-R159 PolarHBondContact O-N 3.19Å; Q154-A162 PolarHBondContact NE2-O 2.73Å; Q154-W165 VanDerWaalsContact OE1-CB 3.25Å; Q154-S168 PolarHBondContact NE2-OG 3.38Å
155F88.7Confident85.3Confident129 Ų12971.3 Ų71.357%0.56638%0.378SS*.Hα-helixtrans-61.4-52.4176.8178.7-94.1000111.4N151 E152 S157 G158 E160N151-F155 PolarHBondContact O-N 3.21Å; E152-F155 WeakPolarHBondContact O-CB 3.45Å; E152-F155 PolarHBondContact O-N 3.34Å; F155-S157 PolarHBondContact O-N 2.85Å; F155-G158 PolarHBondContact O-N 3.36Å; F155-E160 HydrophobicContact CD2-CB 3.74Å; F155-E160 HydrophobicContact CE2-CB 4.24Å; F155-E160 WeakPolarHBondContact CE2-OE2 3.46Å
156V88.1Confident85.6Confident74 Ų7472.8 Ų72.845%0.44837%0.371SS..Hα-helixtrans-58.6-17.3175.2172.20000112.8N123 L148 E152N123-V156 PolarHBondContact ND2-O 2.93Å; L148-V156 HydrophobicContact CD1-CG2 4.32Å; E152-V156 WeakPolarHBondContact O-CB 3.39Å; E152-V156 WeakPolarHBondContact O-CG2 3.4Å; E152-V156 PolarHBondContact O-N 3.09Å
157S86.7Confident85.5Confident16 Ų1672.9 Ų72.911%0.11237%0.366CS..THydrogen-bonded Turntrans-98.116178.4-570000114.6C120 N123 F153 Q154 F155 R159C120-S157 VanDerWaalsContact O-CB 3.3Å; C120-S157 WeakPolarHBondContact O-CB 3.38Å; C120-S157 PolarHBondContact O-OG 3.3Å; N123-S157 VanDerWaalsContact ND2-CA 3.34Å; N123-S157 WeakPolarHBondContact ND2-CA 3.35Å; N123-S157 PolarHBondContact ND2-OG 2.9Å; F153-S157 VanDerWaalsContact O-CB 3.27Å; F153-S157 WeakPolarHBondContact O-CB 3.29Å; F153-S157 PolarHBondContact O-N 2.9Å; F153-S157 PolarHBondContact O-OG 3.09Å; Q154-S157 PolarHBondContact O-N 3.29Å; F155-S157 PolarHBondContact O-N 2.85Å; S157-R159 PolarHBondContact O-N 2.9Å
158G82.2Confident85.5Confident66 Ų6668.4 Ų68.468%0.6835%0.35SS*.THydrogen-bonded Turntrans65.519.6176.300000113.9F155F155-G158 PolarHBondContact O-N 3.36Å
159R79.3Confident85.5Confident114 Ų11467.5 Ų67.543%0.4335%0.345SS..  trans-11326.9-179.4-70.2-178-179.7-97.40112.2Q154 S157 T161 A162Q154-R159 HydrophobicContact CG-CB 3.84Å; Q154-R159 WeakPolarHBondContact CG-O 3.47Å; Q154-R159 PolarHBondContact NE2-O 3.13Å; Q154-R159 PolarHBondContact O-N 3.19Å; S157-R159 PolarHBondContact O-N 2.9Å; R159-T161 PolarHBondContact O-N 3.09Å; R159-A162 PolarHBondContact O-N 3.26Å
160E72Confident85.6Confident128 Ų12872.1 Ų72.160%0.59836%0.361SS*.THydrogen-bonded Turntrans-54.8-32.6178.660.4175.8-167.600113.9F155 A162F155-E160 HydrophobicContact CD2-CB 3.74Å; F155-E160 HydrophobicContact CE2-CB 4.24Å; F155-E160 WeakPolarHBondContact CE2-OE2 3.46Å; E160-A162 PolarHBondContact O-N 3.17Å
161T71.2Confident85.6Confident132 Ų13272.3 Ų72.381%0.8136%0.362SS*.THydrogen-bonded Turntrans-69-18.9-178.753.30000113.6R159R159-T161 PolarHBondContact O-N 3.09Å
162A72.3Confident85.4Confident40 Ų4073.7 Ų73.733%0.33136%0.364SS..  trans-91.2127.2176.200000110.9Q154 R159 E160 D164Q154-A162 PolarHBondContact NE2-O 2.73Å; R159-A162 PolarHBondContact O-N 3.26Å; E160-A162 PolarHBondContact O-N 3.17Å; A162-D164 VanDerWaalsContact C-N 3.29Å; A162-D164 PolarHBondContact O-N 3.43Å
163K77.9Confident85.2Confident205 Ų20571 Ų7189%0.89136%0.362SS*.SBendtrans-78.6-11.4179.3-155168.8-177.1174.60114.1
164D85.9Confident85.1Confident73 Ų7374.1 Ų74.139%0.3938%0.375SS..  trans-105.379.7-170.9-90.89.8000112.7A162 K166 R167 S168A162-D164 VanDerWaalsContact C-N 3.29Å; A162-D164 PolarHBondContact O-N 3.43Å; D164-K166 PolarHBondContact O-N 3.38Å; D164-K166 VanDerWaalsContact O-N 3.09Å; D164-R167 HydrophobicContact CB-CB 4.03Å; D164-R167 HydrophobicContact CB-CG 3.92Å; D164-R167 PolarHBondContact O-N 3.22Å; D164-R167 VanDerWaalsContact OD2-CD 3.23Å; D164-R167 WeakPolarHBondContact OD2-CD 3.47Å; D164-R167 IonicContact OD2-CZ 3.44Å; D164-R167 IonicContact OD2-NE 3.59Å; D164-R167 PolarHBondContact OD2-NE 3.22Å; D164-S168 PolarHBondContact O-N 2.84Å; D164-S168 PolarHBondContact O-OG 2.76Å
165W88.6Confident85.2Confident17 Ų1774.4 Ų74.46%0.06438%0.379CS..Hα-helixtrans-51.2-35.4172.764.4-93.5000113.1L132 P150 Q154 R167 S168 I169 L176 M180L132-W165 HydrophobicContact CD1-CH2 4.25Å; L132-W165 HydrophobicContact CD1-CZ3 4.33Å; P150-W165 HydrophobicContact CB-CB 4.29Å; P150-W165 HydrophobicContact CB-CD2 3.66Å; P150-W165 HydrophobicContact CB-CE3 3.4Å; P150-W165 VanDerWaalsContact CB-CE3 3.4Å; P150-W165 HydrophobicContact CB-CG 4.07Å; P150-W165 HydrophobicContact CB-CZ3 3.9Å; P150-W165 HydrophobicContact CG-CE3 4.09Å; P150-W165 HydrophobicContact CG-CH2 4.47Å; P150-W165 HydrophobicContact CG-CZ3 4.07Å; Q154-W165 VanDerWaalsContact OE1-CB 3.25Å; W165-R167 PolarHBondContact O-N 3.17Å; W165-S168 PolarHBondContact O-N 3.15Å; W165-I169 HydrophobicContact CB-CD1 4.31Å; W165-I169 PolarHBondContact O-N 3.38Å; W165-L176 HydrophobicContact CE3-CD1 4.02Å; W165-L176 HydrophobicContact CZ3-CD1 3.89Å; W165-M180 HydrophobicContact CH2-SD 4.4Å
166K90.3Very high85.2Confident80 Ų8068.3 Ų68.335%0.34835%0.352SS..Hα-helixtrans-61.5-22.6176.4-56.6-177.4-179.6179.20113.5D164 L176 K177 M180D164-K166 PolarHBondContact O-N 3.38Å; D164-K166 VanDerWaalsContact O-N 3.09Å; K166-L176 PolarHBondContact O-N 3.17Å; K166-K177 HydrophobicContact CB-CB 3.99Å; K166-K177 WeakPolarHBondContact O-CB 3.41Å; K166-K177 PolarHBondContact O-N 3.46Å; K166-M180 HydrophobicContact CD-CE 4.28Å; K166-M180 HydrophobicContact CD-SD 3.98Å; K166-M180 HydrophobicContact CG-SD 4.2Å
167R89.7Confident85.3Confident136 Ų13669.6 Ų69.651%0.51335%0.351SS..Hα-helixtrans-100.8-34.9175.3-63.3-176.5-170-11015112.5D164 W165D164-R167 HydrophobicContact CB-CB 4.03Å; D164-R167 HydrophobicContact CB-CG 3.92Å; D164-R167 PolarHBondContact O-N 3.22Å; D164-R167 VanDerWaalsContact OD2-CD 3.23Å; D164-R167 WeakPolarHBondContact OD2-CD 3.47Å; D164-R167 IonicContact OD2-CZ 3.44Å; D164-R167 IonicContact OD2-NE 3.59Å; D164-R167 PolarHBondContact OD2-NE 3.22Å; W165-R167 PolarHBondContact O-N 3.17Å
168S89.3Confident85.5Confident10 Ų1071.6 Ų71.67%0.0736%0.363CS..Hα-helixtrans-69-35.8-178.8-62.40000112.7C120 Q154 D164 W165C120-S168 PolarHBondContact SG-O 3.5Å; Q154-S168 PolarHBondContact NE2-OG 3.38Å; D164-S168 PolarHBondContact O-N 2.84Å; D164-S168 PolarHBondContact O-OG 2.76Å; W165-S168 PolarHBondContact O-N 3.15Å
169I91.4Very high85.7Confident0 Ų068.5 Ų68.50%033%0.331CS..  trans-94.8137.2178.6-55164.3000109.8V118 E119 C120 I141 P150 F153 W165 L176V118-I169 HydrophobicContact CB-CG2 3.67Å; V118-I169 HydrophobicContact CG1-CG2 4.09Å; V118-I169 HydrophobicContact CG2-CG2 4.13Å; E119-I169 WeakPolarHBondContact O-CA 3.5Å; C120-I169 HydrophobicContact CB-CG1 4.15Å; I141-I169 HydrophobicContact CD1-CD1 3.89Å; P150-I169 HydrophobicContact CB-CD1 3.95Å; P150-I169 WeakPolarHBondContact O-CD1 3.48Å; F153-I169 HydrophobicContact CD1-CD1 3.91Å; F153-I169 HydrophobicContact CD1-CG1 4Å; F153-I169 HydrophobicContact CD1-CG2 4.43Å; F153-I169 HydrophobicContact CE1-CG1 4.35Å; F153-I169 HydrophobicContact CE1-CG2 4.21Å; W165-I169 HydrophobicContact CB-CD1 4.31Å; W165-I169 PolarHBondContact O-N 3.38Å; I169-L176 HydrophobicContact CB-CD1 3.7Å; I169-L176 HydrophobicContact CB-CG 4Å; I169-L176 HydrophobicContact CD1-CD1 4.25Å; I169-L176 HydrophobicContact CG2-CD1 3.61Å; I169-L176 HydrophobicContact CG2-CD2 4.49Å; I169-L176 HydrophobicContact CG2-CG 3.89Å; I169-L176 PolarHBondContact O-N 3.21Å
170R91.4Very high86.1Confident113 Ų11364.7 Ų64.743%0.42632%0.319SS..EExtended strand (participates in β ladder)trans-133.4165.6-175.7-68.6164.8-175.4-101.33.1111.3V118 E119 G173 K174V118-R170 CarbonylContact C-O 3.55Å; V118-R170 WeakPolarHBondContact CA-O 3.41Å; V118-R170 WeakPolarHBondContact CB-O 3.44Å; E119-R170 HydrophobicContact CG-CB 3.71Å; E119-R170 PolarHBondContact N-O 2.9Å; E119-R170 PolarHBondContact O-N 2.88Å; E119-R170 WeakPolarHBondContact OE1-CB 3.41Å; R170-G173 WeakPolarHBondContact CD-O 3.4Å; R170-G173 PolarHBondContact NH1-O 3.2Å; R170-K174 CarbonylContact C-O 3.45Å; R170-K174 WeakPolarHBondContact CA-O 3.47Å; R170-K174 WeakPolarHBondContact CB-O 3.49Å
171H91.3Very high86.8Confident4 Ų463.2 Ų63.22%0.01932%0.322CS..EExtended strand (participates in β ladder)trans-133.5119.1165.7172.295000106.9F105 I116 E117 G173 K174 L179F105-H171 AromaticContact CD1-CD2 3.36Å; F105-H171 WeakPolarHBondContact CD1-CD2 3.33Å; F105-H171 AromaticContact CD1-NE2 3.66Å; F105-H171 AromaticContact CE1-CD2 3.4Å; F105-H171 VanDerWaalsContact CE1-CD2 3.4Å; F105-H171 WeakPolarHBondContact CE1-CD2 3.41Å; I116-H171 HydrophobicContact CD1-CB 4.33Å; E117-H171 PolarHBondContact O-ND1 2.86Å; H171-G173 VanDerWaalsContact C-N 3.31Å; H171-G173 PolarHBondContact O-N 3.08Å; H171-K174 PolarHBondContact N-O 3.02Å; H171-K174 WeakPolarHBondContact O-CB 3.44Å; H171-K174 PolarHBondContact O-N 3.5Å; H171-L179 HydrophobicContact CB-CD1 4.07Å
172K86Confident87.4Confident107 Ų10763.5 Ų63.547%0.46531%0.312SS..THydrogen-bonded Turntrans47.853.1-177.3-57.6179.9-172.9-1780111.4D104 E119 K174D104-K172 VanDerWaalsContact O-CD 3.25Å; D104-K172 WeakPolarHBondContact O-CD 3.49Å; D104-K172 WeakPolarHBondContact O-CE 3.19Å; D104-K172 PolarHBondContact O-NZ 2.93Å; E119-K172 PolarHBondContact OE1-N 3.27Å; K172-K174 PolarHBondContact O-N 3.13Å
173G85.3Confident87.7Confident39 Ų3963.2 Ų63.240%0.40231%0.313SS..THydrogen-bonded Turntrans76.3-25.3-17700000116E119 R170 H171E119-G173 WeakPolarHBondContact OE1-CA 3.2Å; E119-G173 PolarHBondContact OE1-N 3.15Å; R170-G173 WeakPolarHBondContact CD-O 3.4Å; R170-G173 PolarHBondContact NH1-O 3.2Å; H171-G173 VanDerWaalsContact C-N 3.31Å; H171-G173 PolarHBondContact O-N 3.08Å
174K89.6Confident87.8Confident64 Ų6454.4 Ų54.428%0.27828%0.276SS..EExtended strand (participates in β ladder)trans-81129.7-174.2-61.4171.9-173.9176.50111.2D104 F105 R170 H171 K172D104-K174 VanDerWaalsContact CB-NZ 3.31Å; D104-K174 IonicContact OD2-NZ 3.44Å; D104-K174 PolarHBondContact OD2-NZ 2.72Å; F105-K174 HydrophobicContact CE1-CD 4.24Å; F105-K174 HydrophobicContact CE2-CD 4.09Å; F105-K174 HydrophobicContact CZ-CB 4.38Å; F105-K174 HydrophobicContact CZ-CD 3.48Å; F105-K174 VanDerWaalsContact CZ-CD 3.48Å; R170-K174 CarbonylContact C-O 3.45Å; R170-K174 WeakPolarHBondContact CA-O 3.47Å; R170-K174 WeakPolarHBondContact CB-O 3.49Å; H171-K174 PolarHBondContact N-O 3.02Å; H171-K174 WeakPolarHBondContact O-CB 3.44Å; H171-K174 PolarHBondContact O-N 3.5Å; K172-K174 PolarHBondContact O-N 3.13Å
175S91.7Very high87.7Confident16 Ų1651.2 Ų51.211%0.11226%0.258CS..EExtended strand (participates in β ladder)trans-69.1150.6-177.677.80000113.1K177 T178 L179S175-K177 PolarHBondContact O-N 3.13Å; S175-T178 WeakPolarHBondContact O-CA 3.44Å; S175-T178 WeakPolarHBondContact O-CB 3.31Å; S175-T178 PolarHBondContact O-N 2.8Å; S175-T178 PolarHBondContact OG-N 3.27Å; S175-T178 PolarHBondContact OG-OG1 3.09Å; S175-L179 PolarHBondContact O-N 2.78Å; S175-L179 VanDerWaalsContact O-N 3.1Å
176L89.6Confident87.2Confident1 Ų155.9 Ų55.91%0.00528%0.281CS..Hα-helixtrans-56.2-34.1172-67.9-173.7000111.9V118 L127 W165 K166 I169 T178 L179 M180 L185V118-L176 HydrophobicContact CG1-CD2 4.12Å; L127-L176 HydrophobicContact CD2-CD1 4.1Å; L127-L176 HydrophobicContact CD2-CD2 3.7Å; W165-L176 HydrophobicContact CE3-CD1 4.02Å; W165-L176 HydrophobicContact CZ3-CD1 3.89Å; K166-L176 PolarHBondContact O-N 3.17Å; I169-L176 HydrophobicContact CB-CD1 3.7Å; I169-L176 HydrophobicContact CB-CG 4Å; I169-L176 HydrophobicContact CD1-CD1 4.25Å; I169-L176 HydrophobicContact CG2-CD1 3.61Å; I169-L176 HydrophobicContact CG2-CD2 4.49Å; I169-L176 HydrophobicContact CG2-CG 3.89Å; I169-L176 PolarHBondContact O-N 3.21Å; L176-T178 VanDerWaalsContact C-N 3.31Å; L176-T178 PolarHBondContact O-N 3.06Å; L176-L179 HydrophobicContact CD2-CD1 4.05Å; L176-L179 WeakPolarHBondContact O-CB 3.49Å; L176-L179 PolarHBondContact O-N 3.32Å; L176-M180 WeakPolarHBondContact O-CB 3.33Å; L176-M180 WeakPolarHBondContact O-CG 3.31Å; L176-M180 PolarHBondContact O-N 3.11Å; L176-L185 HydrophobicContact CD2-CD1 3.66Å
177K90.3Very high86.7Confident100 Ų10054.6 Ų54.644%0.43528%0.28SS..Hα-helixtrans-57.9-43.4173.6-173.7174.2178.1175.90111.6K166 S175 M180 S181K166-K177 HydrophobicContact CB-CB 3.99Å; K166-K177 WeakPolarHBondContact O-CB 3.41Å; K166-K177 PolarHBondContact O-N 3.46Å; S175-K177 PolarHBondContact O-N 3.13Å; K177-M180 PolarHBondContact O-N 2.69Å; K177-S181 PolarHBondContact O-N 3.15Å; K177-S181 PolarHBondContact O-OG 3.35Å; K177-S181 VanDerWaalsContact O-OG 3.11Å
178T89.4Confident86.1Confident58 Ų5849.7 Ų49.736%0.35626%0.263SS..Hα-helixtrans-65.8-40.7177.8-47.70000111.7S175 L176 S181 K182S175-T178 WeakPolarHBondContact O-CA 3.44Å; S175-T178 WeakPolarHBondContact O-CB 3.31Å; S175-T178 PolarHBondContact O-N 2.8Å; S175-T178 PolarHBondContact OG-N 3.27Å; S175-T178 PolarHBondContact OG-OG1 3.09Å; L176-T178 VanDerWaalsContact C-N 3.31Å; L176-T178 PolarHBondContact O-N 3.06Å; T178-S181 WeakPolarHBondContact CA-OG 3.39Å; T178-S181 PolarHBondContact O-OG 3.37Å; T178-K182 WeakPolarHBondContact O-CG 3.32Å; T178-K182 PolarHBondContact O-N 3.28Å; T178-K182 VanDerWaalsContact O-N 3.14Å
179L87.6Confident85.3Confident1 Ų153.3 Ų53.31%0.00529%0.286CS..Hα-helixtrans-63-42.4174.6-95.9164.6000112.5F105 I116 H171 S175 L176 K182 G183 I184 L185F105-L179 HydrophobicContact CD1-CD2 3.86Å; F105-L179 HydrophobicContact CD2-CD2 4.4Å; F105-L179 HydrophobicContact CE1-CD1 3.82Å; F105-L179 HydrophobicContact CE1-CD2 3.4Å; F105-L179 HydrophobicContact CE1-CG 3.73Å; F105-L179 HydrophobicContact CE2-CD2 3.96Å; F105-L179 HydrophobicContact CG-CD2 4.34Å; F105-L179 HydrophobicContact CZ-CD1 4.32Å; F105-L179 HydrophobicContact CZ-CD2 3.43Å; F105-L179 VanDerWaalsContact CZ-CD2 3.43Å; F105-L179 HydrophobicContact CZ-CG 3.74Å; I116-L179 HydrophobicContact CD1-CD1 3.96Å; H171-L179 HydrophobicContact CB-CD1 4.07Å; S175-L179 PolarHBondContact O-N 2.78Å; S175-L179 VanDerWaalsContact O-N 3.1Å; L176-L179 HydrophobicContact CD2-CD1 4.05Å; L176-L179 WeakPolarHBondContact O-CB 3.49Å; L176-L179 PolarHBondContact O-N 3.32Å; L179-K182 PolarHBondContact O-N 2.79Å; L179-G183 PolarHBondContact O-N 3.09Å; L179-I184 HydrophobicContact CD2-CB 3.69Å; L179-I184 HydrophobicContact CD2-CD1 3.97Å; L179-I184 HydrophobicContact CD2-CG1 4.44Å; L179-I184 HydrophobicContact CD2-CG2 3.52Å; L179-I184 PolarHBondContact O-N 2.88Å; L179-L185 HydrophobicContact CB-CB 4.35Å; L179-L185 HydrophobicContact CB-CD1 3.82Å; L179-L185 HydrophobicContact CB-CG 3.99Å; L179-L185 HydrophobicContact CD1-CD1 3.86Å; L179-L185 HydrophobicContact CD1-CG 4.39Å; L179-L185 HydrophobicContact CD2-CG 4.26Å; L179-L185 HydrophobicContact CG-CD1 4.32Å; L179-L185 HydrophobicContact CG-CG 4.47Å; L179-L185 PolarHBondContact O-N 2.93Å
180M87.6Confident84Confident35 Ų3560 Ų6017%0.17233%0.329CS..Hα-helixtrans-68-42.5177.1-65.4167.578.600111.8W165 K166 L176 K177 K182 G183 L185 V187W165-M180 HydrophobicContact CH2-SD 4.4Å; K166-M180 HydrophobicContact CD-CE 4.28Å; K166-M180 HydrophobicContact CD-SD 3.98Å; K166-M180 HydrophobicContact CG-SD 4.2Å; L176-M180 WeakPolarHBondContact O-CB 3.33Å; L176-M180 WeakPolarHBondContact O-CG 3.31Å; L176-M180 PolarHBondContact O-N 3.11Å; K177-M180 PolarHBondContact O-N 2.69Å; M180-K182 PolarHBondContact O-N 3.49Å; M180-G183 PolarHBondContact O-N 3.17Å; M180-G183 VanDerWaalsContact O-N 3.09Å; M180-L185 WeakPolarHBondContact CA-O 3.49Å; M180-L185 HydrophobicContact CG-CB 4.03Å; M180-V187 HydrophobicContact CE-CB 4.13Å; M180-V187 HydrophobicContact CE-CG1 3.55Å; M180-V187 HydrophobicContact CE-CG2 3.45Å; M180-V187 VanDerWaalsContact CE-CG2 3.45Å
181S85.8Confident82.8Confident96 Ų9662 Ų6267%0.67135%0.347SS*.Hα-helixtrans-68.1-18.2176.156.40000114K177 T178K177-S181 PolarHBondContact O-N 3.15Å; K177-S181 PolarHBondContact O-OG 3.35Å; K177-S181 VanDerWaalsContact O-OG 3.11Å; T178-S181 WeakPolarHBondContact CA-OG 3.39Å; T178-S181 PolarHBondContact O-OG 3.37Å
182K84Confident82Confident138 Ų13863.1 Ų63.160%0.636%0.355SS*.THydrogen-bonded Turntrans-90.33.8172.4-74.8-167.3172.2-153.40113.6T178 L179 M180 I184T178-K182 WeakPolarHBondContact O-CG 3.32Å; T178-K182 PolarHBondContact O-N 3.28Å; T178-K182 VanDerWaalsContact O-N 3.14Å; L179-K182 PolarHBondContact O-N 2.79Å; M180-K182 PolarHBondContact O-N 3.49Å; K182-I184 HydrophobicContact CB-CD1 3.84Å; K182-I184 HydrophobicContact CB-CG1 4.1Å; K182-I184 HydrophobicContact CD-CD1 4.29Å; K182-I184 PolarHBondContact O-N 3.32Å; K182-I184 VanDerWaalsContact O-N 3.09Å
183G78.1Confident81Confident34 Ų3463.6 Ų63.635%0.35136%0.363SS..THydrogen-bonded Turntrans73.6-9.1-17900000115.7L179 M180 L185 Q186L179-G183 PolarHBondContact O-N 3.09Å; M180-G183 PolarHBondContact O-N 3.17Å; M180-G183 VanDerWaalsContact O-N 3.09Å; G183-L185 VanDerWaalsContact C-N 3.33Å; G183-L185 PolarHBondContact O-N 3.32Å; G183-Q186 WeakPolarHBondContact O-CG 3.23Å; G183-Q186 PolarHBondContact O-NE2 3.46Å
184I81.4Confident80.5Confident20 Ų2063 Ų6310%0.10335%0.352CS..SBendtrans-64.3-36.4-178.8-57.5163.7000111.1T98 F105 L179 K182T98-I184 HydrophobicContact CG2-CG1 4.12Å; F105-I184 HydrophobicContact CD2-CD1 3.78Å; F105-I184 HydrophobicContact CE2-CD1 3.69Å; L179-I184 HydrophobicContact CD2-CB 3.69Å; L179-I184 HydrophobicContact CD2-CD1 3.97Å; L179-I184 HydrophobicContact CD2-CG1 4.44Å; L179-I184 HydrophobicContact CD2-CG2 3.52Å; L179-I184 PolarHBondContact O-N 2.88Å; K182-I184 HydrophobicContact CB-CD1 3.84Å; K182-I184 HydrophobicContact CB-CG1 4.1Å; K182-I184 HydrophobicContact CD-CD1 4.29Å; K182-I184 PolarHBondContact O-N 3.32Å; K182-I184 VanDerWaalsContact O-N 3.09Å
185L83.8Confident79.3Confident6 Ų664 Ų643%0.03137%0.365CS..SBendtrans-113.8112.3171.9-70.2-175000111.5I116 L127 V129 L132 L176 L179 M180 G183I116-L185 HydrophobicContact CD1-CD1 4.07Å; I116-L185 HydrophobicContact CD1-CD2 4.21Å; L127-L185 HydrophobicContact CD2-CD1 4.25Å; V129-L185 HydrophobicContact CB-CD2 4.33Å; V129-L185 HydrophobicContact CG1-CD2 3.75Å; V129-L185 HydrophobicContact CG2-CD2 3.82Å; L132-L185 HydrophobicContact CD2-CB 4.31Å; L132-L185 HydrophobicContact CD2-CD1 3.96Å; L132-L185 HydrophobicContact CD2-CD2 4.39Å; L132-L185 HydrophobicContact CD2-CG 4.47Å; L176-L185 HydrophobicContact CD2-CD1 3.66Å; L179-L185 HydrophobicContact CB-CB 4.35Å; L179-L185 HydrophobicContact CB-CD1 3.82Å; L179-L185 HydrophobicContact CB-CG 3.99Å; L179-L185 HydrophobicContact CD1-CD1 3.86Å; L179-L185 HydrophobicContact CD1-CG 4.39Å; L179-L185 HydrophobicContact CD2-CG 4.26Å; L179-L185 HydrophobicContact CG-CD1 4.32Å; L179-L185 HydrophobicContact CG-CG 4.47Å; L179-L185 PolarHBondContact O-N 2.93Å; M180-L185 WeakPolarHBondContact CA-O 3.49Å; M180-L185 HydrophobicContact CG-CB 4.03Å; G183-L185 VanDerWaalsContact C-N 3.33Å; G183-L185 PolarHBondContact O-N 3.32Å
186Q77.3Confident78.1Confident115 Ų11565 Ų6554%0.53738%0.377SS..  trans-102109.8178.2-59.2-174.416.700111.2G183G183-Q186 WeakPolarHBondContact O-CG 3.23Å; G183-Q186 PolarHBondContact O-NE2 3.46Å
187V79.9Confident77.2Confident53 Ų5365.6 Ų65.632%0.32138%0.381SS..PPolyproline II helixtrans-74.4147.3157.6-71.30000108.9L132 M180L132-V187 HydrophobicContact CG-CG1 4.16Å; M180-V187 HydrophobicContact CE-CB 4.13Å; M180-V187 HydrophobicContact CE-CG1 3.55Å; M180-V187 HydrophobicContact CE-CG2 3.45Å; M180-V187 VanDerWaalsContact CE-CG2 3.45Å
188H77.9Confident76.1Confident33 Ų3367.2 Ų67.215%0.15339%0.385CS..PPolyproline II helixtrans-79.9154.7176.6-67.6178.2000111.3C133 C192 C194 R771C133-H188 HydrophobicContact CB-CB 4.46Å; C133-H188 WeakPolarHBondContact O-CB 3.37Å; C133-H188 PolarHBondContact O-N 3.01Å; C133-H188 PolarHBondContact SG-CE1 3.36Å; H188-C192 HydrophobicContact CB-CB 3.67Å; H188-C192 PolarHBondContact ND1-SG 2.91Å; H188-C192 VanDerWaalsContact ND1-SG 3.41Å; H188-C194 PolarHBondContact CE1-SG 2.97Å; H188-C194 PolarHBondContact ND1-SG 2.53Å; H188-R771 PolarHBondContact CD2-NH2 3.35Å; H188-R771 VanDerWaalsContact CD2-NH2 3.35Å; H188-R771 PolarHBondContact CE1-NH2 3.1Å; H188-R771 PolarHBondContact ND1-NH2 2.79Å; H188-R771 PolarHBondContact NE2-NH1 3.17Å; H188-R771 PolarHBondContact NE2-NH2 3.07Å
189P72.1Confident74.7Confident87 Ų8769.2 Ų69.257%0.56539%0.392SS*.PPolyproline II helixtrans-54.2151.6165.7-24.634.6000111.2I191 C192P189-I191 PolarHBondContact O-N 2.9Å; P189-C192 VanDerWaalsContact O-CB 3.25Å; P189-C192 WeakPolarHBondContact O-CB 3.41Å; P189-C192 PolarHBondContact O-N 3.36Å
190P63.5Low73.2Confident139 Ų13970.3 Ų70.390%0.90340%0.4SS*.THydrogen-bonded Turntrans-63.2-13.7-178.525.1-33.8000114
191I67.3Low71.6Confident155 Ų15570 Ų7080%0.79540%0.401SS*.THydrogen-bonded Turntrans-104.732.1-179.2-34.4170.8000111P189P189-I191 PolarHBondContact O-N 2.9Å
192C73.4Confident70.1Confident28 Ų2870.1 Ų70.119%0.18940%0.4CS..  trans-100.1116.6-174.9-1720000113.4H188 P189 C194 C197H188-C192 HydrophobicContact CB-CB 3.67Å; H188-C192 PolarHBondContact ND1-SG 2.91Å; H188-C192 VanDerWaalsContact ND1-SG 3.41Å; P189-C192 VanDerWaalsContact O-CB 3.25Å; P189-C192 WeakPolarHBondContact O-CB 3.41Å; P189-C192 PolarHBondContact O-N 3.36Å; C192-C194 VanDerWaalsContact C-N 3.29Å; C192-C194 PolarHBondContact O-N 3.37Å; C192-C197 WeakPolarHBondContact O-CB 3.45Å
193D66.3Low68.6Low118 Ų11869.7 Ų69.763%0.63141%0.408SS*.  trans-83.124.2179.7-67.6-55.6000115.5R198D193-R198 WeakPolarHBondContact O-CD 3.42Å
194C73.3Confident67.1Low26 Ų2670.9 Ų70.918%0.17641%0.407CS..  trans-66.1155.7176.385.80000111.3H188 C192 G196 C197 R198H188-C194 PolarHBondContact CE1-SG 2.97Å; H188-C194 PolarHBondContact ND1-SG 2.53Å; C192-C194 VanDerWaalsContact C-N 3.29Å; C192-C194 PolarHBondContact O-N 3.37Å; C194-G196 VanDerWaalsContact C-N 3.3Å; C194-G196 PolarHBondContact O-N 3.14Å; C194-C197 PolarHBondContact O-N 3.31Å; C194-C197 PolarHBondContact SG-N 3.4Å; C194-C197 VanDerWaalsContact SG-SG 3.62Å; C194-R198 WeakPolarHBondContact O-CG 3.37Å; C194-R198 PolarHBondContact O-N 2.75Å
195P64.8Low65.5Low86 Ų8678.3 Ų78.356%0.55843%0.433SS*.Hα-helixtrans-52.6-43.6-179.2-29.136.1000113.7C197 R198 I199P195-C197 PolarHBondContact O-N 3.19Å; P195-R198 PolarHBondContact O-N 2.67Å; P195-I199 WeakPolarHBondContact O-CD1 3.47Å; P195-I199 WeakPolarHBondContact O-CG1 3.33Å; P195-I199 PolarHBondContact O-N 2.92Å
196G66.6Low63.5Low35 Ų3580.2 Ų80.236%0.36145%0.454SS..Hα-helixtrans-60.9-42.4175.600000113.4C194 S200C194-G196 VanDerWaalsContact C-N 3.3Å; C194-G196 PolarHBondContact O-N 3.14Å; G196-S200 PolarHBondContact O-OG 3.49Å
197C71.4Confident61.9Low14 Ų1484.2 Ų84.210%0.09546%0.464CS..Hα-helixtrans-71.1-28.2176.3-740000113.5Q134 C192 C194 P195 S201Q134-C197 HydrophobicContact CG-CB 4.32Å; Q134-C197 PolarHBondContact NE2-O 2.84Å; C192-C197 WeakPolarHBondContact O-CB 3.45Å; C194-C197 PolarHBondContact O-N 3.31Å; C194-C197 PolarHBondContact SG-N 3.4Å; C194-C197 VanDerWaalsContact SG-SG 3.62Å; P195-C197 PolarHBondContact O-N 3.19Å; C197-S201 WeakPolarHBondContact O-CB 3.03Å; C197-S201 PolarHBondContact O-N 3.09Å
198R65.8Low60.1Low134 Ų13486 Ų8651%0.50647%0.472SS..Hα-helixtrans-76.8-42.6176.4-67.217981.3162.28.6111.9D193 C194 P195 S200 S201 N204D193-R198 WeakPolarHBondContact O-CD 3.42Å; C194-R198 WeakPolarHBondContact O-CG 3.37Å; C194-R198 PolarHBondContact O-N 2.75Å; P195-R198 PolarHBondContact O-N 2.67Å; R198-S200 PolarHBondContact O-N 3.25Å; R198-S201 PolarHBondContact O-N 3.01Å; R198-N204 WeakPolarHBondContact O-CB 3.43Å
199I61.8Low58.4Low101 Ų10187.4 Ų87.452%0.51849%0.489SS..Hα-helixtrans-62.8-43.1-176.2-70.2162.5000112.5P195 L208P195-I199 WeakPolarHBondContact O-CD1 3.47Å; P195-I199 WeakPolarHBondContact O-CG1 3.33Å; P195-I199 PolarHBondContact O-N 2.92Å; I199-L208 HydrophobicContact CG1-CD2 4.04Å; I199-L208 HydrophobicContact CG2-CD2 4.43Å
200S55.5Low56.8Low24 Ų2489.2 Ų89.217%0.16849%0.494CS..THydrogen-bonded Turntrans-100.414.6178.352.90000113.9Q134 G196 R198Q134-S200 PolarHBondContact NE2-O 3.38Å; Q134-S200 PolarHBondContact NE2-OG 3.24Å; Q134-S200 PolarHBondContact OE1-O 2.96Å; Q134-S200 PolarHBondContact OE1-OG 3.05Å; G196-S200 PolarHBondContact O-OG 3.49Å; R198-S200 PolarHBondContact O-N 3.25Å
201S53.2Low55.9Low27 Ų2790 Ų9019%0.18948%0.483CS..  trans-71.6123.8164.9172.90000109.2C197 R198 V203 N204 R205C197-S201 WeakPolarHBondContact O-CB 3.03Å; C197-S201 PolarHBondContact O-N 3.09Å; R198-S201 PolarHBondContact O-N 3.01Å; S201-V203 PolarHBondContact O-N 2.97Å; S201-V203 VanDerWaalsContact O-N 3.13Å; S201-N204 PolarHBondContact O-N 3.12Å; S201-N204 PolarHBondContact OG-ND2 3.32Å; S201-R205 PolarHBondContact O-N 2.88Å
202P55.5Low54.8Low99 Ų9993.5 Ų93.564%0.64349%0.486SS*.G310 helixtrans-53.7-37.8-178-28.335.6000113.4N204 R205P202-N204 PolarHBondContact O-N 3.4Å; P202-R205 PolarHBondContact O-N 3.1Å
203V52.7Low53Low129 Ų12997.7 Ų97.778%0.78251%0.511SS*.G310 helixtrans-64.3-26.8-179.4-172.90000112.7S201S201-V203 PolarHBondContact O-N 2.97Å; S201-V203 VanDerWaalsContact O-N 3.13Å
204N44.8Very low51.5Low59 Ų5998.4 Ų98.432%0.31652%0.519SS..G310 helixtrans-99.3-9.2-177.4-72.3-93.6000113.2R198 S201 P202 G206 R207 L208R198-N204 WeakPolarHBondContact O-CB 3.43Å; S201-N204 PolarHBondContact O-N 3.12Å; S201-N204 PolarHBondContact OG-ND2 3.32Å; P202-N204 PolarHBondContact O-N 3.4Å; N204-G206 VanDerWaalsContact C-N 3.28Å; N204-G206 PolarHBondContact O-N 2.93Å; N204-R207 PolarHBondContact O-N 3.43Å; N204-L208 PolarHBondContact O-N 3.44Å
205R48.8Very low49.3Very low177 Ų177101.1 Ų101.167%0.66854%0.544SS*.Hα-helixtrans-64.7-31.6-174-147.9170.9-172.3158-0.2112.7S201 P202S201-R205 PolarHBondContact O-N 2.88Å; P202-R205 PolarHBondContact O-N 3.1Å
206G42.6Very low47.8Very low45 Ų45104.9 Ų104.946%0.46456%0.558SS.*Hα-helixtrans-66.8-57.717100000112.6N204 L208 A209N204-G206 VanDerWaalsContact C-N 3.28Å; N204-G206 PolarHBondContact O-N 2.93Å; G206-L208 PolarHBondContact O-N 3.31Å; G206-A209 WeakPolarHBondContact O-CB 3.41Å; G206-A209 PolarHBondContact O-N 2.89Å
207R43Very low46.1Very low200 Ų200109 Ų10976%0.75558%0.579SS**Hα-helixtrans-67-5.8-173-164.6177.9-79.3-108.44.6115N204 K211N204-R207 PolarHBondContact O-N 3.43Å; R207-K211 WeakPolarHBondContact O-CE 3.23Å
208L41.3Very low44.2Very low90 Ų90113.1 Ų113.147%0.47161%0.613SS.*Hα-helixtrans-102.4-22.5171.1-163.267.7000113.2I199 N204 G206 K211I199-L208 HydrophobicContact CG1-CD2 4.04Å; I199-L208 HydrophobicContact CG2-CD2 4.43Å; N204-L208 PolarHBondContact O-N 3.44Å; G206-L208 PolarHBondContact O-N 3.31Å; L208-K211 PolarHBondContact O-N 3.39Å
209A42.8Very low42.5Very low62 Ų62111.1 Ų111.151%0.51263%0.626SS.*Hα-helixtrans-66.7-45.1178.600000111.5G206 K211 R212G206-A209 WeakPolarHBondContact O-CB 3.41Å; G206-A209 PolarHBondContact O-N 2.89Å; A209-K211 PolarHBondContact O-N 3.45Å; A209-R212 PolarHBondContact O-N 3.48Å; A209-R212 VanDerWaalsContact O-N 3.16Å
210D39.4Very low41.2Very low126 Ų126117.7 Ų117.767%0.67464%0.644SS**G310 helixtrans-57.1-18.9178.3-59.6-45.8000113.7R212D210-R212 VanDerWaalsContact C-N 3.35Å
211K43.4Very low40Very low154 Ų154124.7 Ų124.767%0.6768%0.68SS**G310 helixtrans-89.34-175.7-51.8-160.8178.3-153.80114.3R207 L208 A209R207-K211 WeakPolarHBondContact O-CE 3.23Å; L208-K211 PolarHBondContact O-N 3.39Å; A209-K211 PolarHBondContact O-N 3.45Å
212R43.8Very low38.9Very low230 Ų230131.4 Ų131.487%0.86871%0.713SS**G310 helixtrans-110.3-4.7171.9-74.6-175.2169.7178.6-4.9113.8A209 D210 V214A209-R212 PolarHBondContact O-N 3.48Å; A209-R212 VanDerWaalsContact O-N 3.16Å; D210-R212 VanDerWaalsContact C-N 3.35Å; R212-V214 PolarHBondContact O-N 3.04Å
213T36.5Very low37.8Very low115 Ų115136.1 Ų136.171%0.70672%0.723SS**  trans-83.960.6171.8-42.70000110.4A215T213-A215 PolarHBondContact O-N 3.41Å
214V34.6Very low36.9Very low133 Ų133137.9 Ų137.981%0.80672%0.72SS**PPolyproline II helixtrans-68.3118.2159.31760000106.1R212 L216R212-V214 PolarHBondContact O-N 3.04Å; V214-L216 PolarHBondContact O-N 3.49Å
215A27.4Very low36Very low84 Ų84140.5 Ų140.569%0.69473%0.73SS**PPolyproline II helixtrans-67.4127.3-17200000111.6T213T213-A215 PolarHBondContact O-N 3.41Å
216L33.7Very low34.9Very low164 Ų164142.4 Ų142.486%0.85974%0.738SS**PPolyproline II helixtrans-69.7136150.1-66.8174.8000107.5V214 A218V214-L216 PolarHBondContact O-N 3.49Å; L216-A218 PolarHBondContact O-N 3.31Å
217P31.2Very low34.2Very low123 Ų123146.5 Ų146.580%0.79975%0.754SS**PPolyproline II helixtrans-67.4118.3-176.726.4-33.7000110.8A219P217-A219 PolarHBondContact O-N 3.16Å; P217-A219 VanDerWaalsContact O-N 3.12Å
218A29.6Very low33.9Very low99 Ų99142.4 Ų142.482%0.81875%0.753SS**  trans-74.3101.2176.800000110.6L216 R220L216-A218 PolarHBondContact O-N 3.31Å; A218-R220 PolarHBondContact O-N 3.35Å
219A30.5Very low33.1Very low92 Ų92142.9 Ų142.976%0.7676%0.764SS**PPolyproline II helixtrans-60.4133.9168.800000110.2P217 N221P217-A219 PolarHBondContact O-N 3.16Å; P217-A219 VanDerWaalsContact O-N 3.12Å; A219-N221 PolarHBondContact O-N 3.32Å
220R34.1Very low32.3Very low240 Ų240150.5 Ų150.591%0.90679%0.786SS**PPolyproline II helixtrans-70.6129.9-169.4-67171.8173.8162.1-5111.3A218 L222A218-R220 PolarHBondContact O-N 3.35Å; R220-L222 PolarHBondContact O-N 2.94Å
221N30.6Very low31.8Very low171 Ų171149.8 Ų149.891%0.91479%0.791SS**PPolyproline II helixtrans-72.5121.8163.8-92-103.7000108.9A219A219-N221 PolarHBondContact O-N 3.32Å
222L31.5Very low31.3Very low168 Ų168146.9 Ų146.988%0.8880%0.795SS**  trans-127124.5172.7-144.3160.2000108R220R220-L222 PolarHBondContact O-N 2.94Å
223K31.3Very low30.6Very low198 Ų198140.7 Ų140.786%0.86179%0.788SS**  trans-105.8118.6-165.5176.4-178.6-179.91790110.6
224K33.5Very low30.6Very low165 Ų165142.7 Ų142.772%0.71779%0.794SS**  159.4161119.6-150.5-174.2178.2-125.20112.2
225E27Very low30.5Very low114 Ų114139.9 Ų139.953%0.53379%0.792SS.*  trans80.2128.2160.5-64.3-71120.700120.4
226R25.8Very low30.8Very low218 Ų218143.5 Ų143.582%0.82380%0.8SS**  trans81.8119141.6-71.1167-166.7-121.3-6.1122.4
227T27.5Very low31.1Very low131 Ų131140.5 Ų140.580%0.80479%0.792SS**  trans-48.4156.4144.65.30000112.3
228P36.2Very low31.2Very low113 Ų113142.4 Ų142.473%0.73480%0.796SS**  -151.8177.370.343.5-24.8000118.2
229S23.9Very low31.5Very low101 Ų101141.4 Ų141.471%0.70680%0.795SS**  trans61.1111.2149.9-59.60000121.5
230F26.6Very low31.7Very low221 Ų221143 Ų14397%0.96980%0.801SS**  -123.8142.6122.4-87.2-81.7000109.2
231S29.1Very low31.4Very low112 Ų112134.9 Ų134.978%0.78379%0.791SS**  trans-112.2163.1171.252.10000109.2
232A32.8Very low32.5Very low92 Ų92132.1 Ų132.176%0.7678%0.782SS**  cis-179.3141-25.300000105.8
233S28.3Very low32.5Very low101 Ų101130.4 Ų130.471%0.70678%0.779SS**  trans-173.3128.9158.3-1110000110
234D36.9Very low32.3Very low156 Ų156127 Ų12783%0.83478%0.779SS**  trans40.4133.7135.9-33.8-45.7000120.6
235G33.7Very low32.1Very low74 Ų74122.7 Ų122.776%0.76378%0.782SS**  cis168.7140.8-600000114.3
236D33.8Very low32.2Very low161 Ų161129.3 Ų129.386%0.86180%0.802SS**  trans62.1172.4154.9-124.9-37000122.9
237S38.3Very low32.5Very low100 Ų100130.2 Ų130.270%0.69981%0.805SS**  trans75.890.4172.4-63.30000119.7
238D34.4Very low33.3Very low164 Ų164130.2 Ų130.288%0.87781%0.807SS**  41.7141.2118.9-65.1-38.4000123.2
239G35.4Very low32.8Very low77 Ų77128.1 Ų128.179%0.79481%0.807SS**  trans167.680.9161.700000116.5
240S34.5Very low33.4Very low127 Ų127131.3 Ų131.389%0.88882%0.815SS**  trans-67.9147.5171.9-65.20000112.8
241G29.3Very low33.5Very low69 Ų69129.6 Ų129.671%0.71181%0.807SS**  trans-80.9-152.5163.400000112.2
242P53Low33.5Very low112 Ų112130.3 Ų130.373%0.72780%0.798SS**  cis-136-157.8-4.532.2-7.7000112.8
243T30.4Very low33.4Very low132 Ų132132.5 Ų132.581%0.8179%0.793SS**  trans69.6160.5167.273.40000116.7
244C28.7Very low33.5Very low126 Ų126135.4 Ų135.485%0.85180%0.8SS**  cis-158164.4-2751.50000107.5
245G28.6Very low33.3Very low76 Ų76131.3 Ų131.378%0.78480%0.795SS**  cis169.7-160.6-0.800000109.7
246R29.2Very low33.8Very low253 Ų253133.3 Ų133.396%0.95579%0.794SS**  trans132.7104.7157.5-161.9170.4-145.2-1104.7114.2
247R32.2Very low33.7Very low237 Ų237134.5 Ų134.589%0.89479%0.794SS**  trans-91.7-176.7161.8-76.3-172.9175.2-159.30.3108.8
248P43.7Very low33.5Very low130 Ų130137.3 Ų137.384%0.84480%0.8SS**  cis-136.2175.55.442.6-25.2000116.9
249G26.7Very low33.4Very low70 Ų70139.9 Ų139.972%0.72280%0.797SS**  trans-176.3137.4164.800000109.7
250L36.4Very low33.7Very low168 Ų168144 Ų14488%0.8880%0.799SS**  trans-139.9164.1-174.2-75.2173.5000111.6
251K28.1Very low33.6Very low185 Ų185145 Ų14580%0.80479%0.791SS**  trans84.6148.8170.7-55.7-174.177.5-179.70116.5
252Q28.3Very low34Very low126 Ų126151.9 Ų151.959%0.58980%0.802SS**  cis-171.8157.9-19.6178.1167.3-3.900111
253E31.3Very low33.1Very low139 Ų139156.1 Ų156.165%0.6580%0.804SS**  trans60.7147175.8-34.4-4930.900123.8
254D30.6Very low33.2Very low162 Ų162160.6 Ų160.687%0.86681%0.805SS**  trans40.1144.5140.7-59.9-27.2000123.5
255G33.6Very low33.2Very low70 Ų70159.3 Ų159.372%0.72279%0.794SS**  cis158.61771.200000110.4
256P44.3Very low33.4Very low116 Ų116164.1 Ų164.175%0.75380%0.795SS**  cis-119.4163.6-8.240.5-27.9000114.1
257H31.3Very low33.8Very low185 Ų185156.4 Ų156.486%0.85678%0.777SS**  trans-94.7120.2168.7-90.126.7000112.2R259H257-R259 PolarHBondContact O-N 3.29Å
258I34.4Very low33.9Very low160 Ų160152.8 Ų152.882%0.82177%0.769SS**  trans-85.197.5169.6-59-178.2000109.9I260I258-I260 PolarHBondContact O-N 3.38Å
259R31.7Very low33.2Very low218 Ų218156.9 Ų156.982%0.82377%0.768SS**  trans-75.9110.2175.9-63.3168.173.9-178.75.4109.9H257 M261H257-R259 PolarHBondContact O-N 3.29Å; R259-M261 PolarHBondContact O-N 3.12Å
260I42.3Very low33.6Very low162 Ų162160 Ų16083%0.83177%0.768SS**  trans-67.596.5171.2-58.4178.1000108.9I258 K262I258-I260 PolarHBondContact O-N 3.38Å; I260-K262 PolarHBondContact O-N 2.87Å
261M30.8Very low33.5Very low148 Ų148157.4 Ų157.473%0.72976%0.759SS**  trans-70.7109.7178.1-63-173.181.500110.3R259 R263R259-M261 PolarHBondContact O-N 3.12Å; M261-R263 PolarHBondContact O-N 3.31Å
262K38.5Very low33.7Very low215 Ų215155.8 Ų155.894%0.93576%0.759SS**  trans-63.381.5161.1-83.9-175.7173176.90109.5I260 R264I260-K262 PolarHBondContact O-N 2.87Å; K262-R264 PolarHBondContact O-N 2.89Å; K262-R264 VanDerWaalsContact O-N 3.09Å
263R34Very low33.7Very low201 Ų201156.6 Ų156.676%0.75877%0.766SS**  trans-75.898.2178.9-163-178.1-62.81741.8109.2M261 V265M261-R263 PolarHBondContact O-N 3.31Å; R263-V265 HydrophobicContact CG-CG2 4.26Å; R263-V265 PolarHBondContact O-N 3.04Å; R263-V265 VanDerWaalsContact O-N 3.1Å
264R32.8Very low33.7Very low225 Ų225154.3 Ų154.385%0.84977%0.766SS**  trans-60.8109.2168.2-178.2-167-63.2-1512.1108.4K262K262-R264 PolarHBondContact O-N 2.89Å; K262-R264 VanDerWaalsContact O-N 3.09Å
265V28.9Very low33.5Very low99 Ų99156.4 Ų156.460%0.677%0.767SS**  trans-108.8104.8167.3-1800000107.4R263 T267R263-V265 HydrophobicContact CG-CG2 4.26Å; R263-V265 PolarHBondContact O-N 3.04Å; R263-V265 VanDerWaalsContact O-N 3.1Å; V265-T267 HydrophobicContact CG1-CG2 3.8Å
266H31.8Very low33.3Very low178 Ų178163.5 Ų163.582%0.82477%0.773SS**  trans-87.9116.8156.5-9824.4000107
267T38Very low32.6Very low91 Ų91165.4 Ų165.456%0.55877%0.771SS**  trans-133113.6162.248.30000107.5V265V265-T267 HydrophobicContact CG1-CG2 3.8Å
268H34Very low32.5Very low161 Ų161161.8 Ų161.875%0.74577%0.773SS**  trans-62132.4172.7-146.1-91.4000109.2D270H268-D270 IonicContact CE1-OD2 3.62Å; H268-D270 PolarHBondContact CE1-OD2 3.06Å; H268-D270 IonicContact ND1-OD2 3.94Å; H268-D270 IonicContact NE2-OD2 3.77Å
269W30.4Very low32.3Very low216 Ų216159.1 Ų159.182%0.81877%0.769SS**  trans-140.453.2175.7-75.2115.6000111.7V271W269-V271 PolarHBondContact O-N 2.78Å
270D35.1Very low32.1Very low134 Ų134155.2 Ų155.272%0.71777%0.774SS**  trans-79.996.5158.6-77.6-45.8000109.3H268H268-D270 IonicContact CE1-OD2 3.62Å; H268-D270 PolarHBondContact CE1-OD2 3.06Å; H268-D270 IonicContact ND1-OD2 3.94Å; H268-D270 IonicContact NE2-OD2 3.77Å
271V33.9Very low31.6Very low115 Ų115153.3 Ų153.370%0.69777%0.774SS**  trans-137121.9151.6-177.80000109.2W269 I273W269-V271 PolarHBondContact O-N 2.78Å; V271-I273 PolarHBondContact O-N 3.14Å
272N31.3Very low31.8Very low150 Ų150154.2 Ų154.280%0.80278%0.777SS**  trans-62.8117.7173.2179.715000111
273I29.6Very low31.9Very low143 Ų143150.8 Ų150.873%0.73377%0.769SS**  trans-106.294.8170.8-59.9-178.5000109.2V271V271-I273 PolarHBondContact O-N 3.14Å
274S30.7Very low31.9Very low92 Ų92144.7 Ų144.764%0.64377%0.769SS**  trans-70.3124.3163.851.90000110.3R276S274-R276 PolarHBondContact O-N 2.92Å
275F25.7Very low32Very low205 Ų205140.8 Ų140.890%0.89977%0.765SS**  trans-80.2115.1168.4-125.5-95.3000109.1
276R30.4Very low32.2Very low220 Ų220143.6 Ų143.683%0.8378%0.775SS**  trans-134.2155.8171.4-151.1173.7-170.7-122.2-4.7109.6S274S274-R276 PolarHBondContact O-N 2.92Å
277E30.2Very low33.2Very low156 Ų156140.2 Ų140.273%0.72977%0.769SS**  trans-62.2138.7-164.6-61.5106.8123.800114.7S279E277-S279 VanDerWaalsContact C-N 3.31Å; E277-S279 PolarHBondContact O-N 3.36Å
278A27.8Very low32.9Very low108 Ų108141 Ų14189%0.89377%0.774SS**  trans-80.279.1166.800000110
279S29.9Very low32.9Very low104 Ų104140.6 Ų140.673%0.72778%0.776SS**  trans-131.5100.3166.6-72.30000109.7E277E277-S279 VanDerWaalsContact C-N 3.31Å; E277-S279 PolarHBondContact O-N 3.36Å
280C28.2Very low33Very low137 Ų137137.3 Ų137.393%0.92677%0.774SS**  trans-155127.9167.9-108.50000110.9
281S31.3Very low32.9Very low121 Ų121135.8 Ų135.885%0.84677%0.773SS**  trans-135.1127.7155.7-178.60000106.1
282Q36.3Very low32.8Very low168 Ų168135.8 Ų135.879%0.78578%0.778SS**  trans-70.4133.2-172.2-74-172.7-83.500111.4
283D38.9Very low32.7Very low143 Ų143134.3 Ų134.377%0.76577%0.774SS**  74.8128.681.2-67.2-51000115.2
284G34.7Very low32.8Very low73 Ų73136 Ų13675%0.75378%0.779SS**  trans-175.8137.3174.100000109.8
285N34.2Very low32.9Very low143 Ų143142.5 Ų142.577%0.76579%0.789SS**  trans-123.5152.1-159.4-84.9-80.6000115.7
286L33.1Very low32.9Very low158 Ų158138.1 Ų138.183%0.82778%0.784SS**  trans75.8167.6152.6-104.269.8000118.2
287P53.4Low32.9Very low107 Ų107138.6 Ų138.670%0.69579%0.786SS**  -135.3-157.8-123.842.2-21000114.5
288T31.7Very low32.8Very low108 Ų108139 Ų13966%0.66379%0.787SS**  trans125.6100145.5-52.10000115.9
289L34.6Very low32.9Very low151 Ų151140.5 Ų140.579%0.79178%0.78SS**  trans62.5165.1150.8-55175.4000116.8
290I32.1Very low32.8Very low148 Ų148142.5 Ų142.576%0.75979%0.787SS**  cis-156.3158.6-10.8-119.7159.9000105.6
291S32.8Very low32.9Very low102 Ų102143.1 Ų143.171%0.71378%0.778SS**  cis-178.4175-29.3-176.30000107.9
292S31.7Very low33.5Very low114 Ų114141.9 Ų141.980%0.79777%0.767SS**  trans74151.1172.6-125.50000114.9
293V30.6Very low33.1Very low119 Ų119142.4 Ų142.472%0.72177%0.77SS**  cis-140.5152.410.2170.70000106.1
294H31Very low32.7Very low178 Ų178144.3 Ų144.382%0.82477%0.774SS**  cis-143.215431.6-144.6-73.8000113.1
295R31.9Very low32.3Very low230 Ų230148.4 Ų148.487%0.86877%0.773SS**  trans-85.6149.3172.7-76.7170.4160.4165.7-7.9112.9
296S26.1Very low32Very low112 Ų112145.5 Ų145.578%0.78376%0.764SS**  -150.988.3128.762.80000113.3
297R30.2Very low31.6Very low230 Ų230148.5 Ų148.587%0.86876%0.764SS**  trans50101.5147-50.9-179.9-169.1-1611.8116.3
298H27.9Very low30.2Very low166 Ų166148.6 Ų148.677%0.76977%0.766SS**  41.4118.158.7-77-94.8000114
299L30.5Very low29.8Very low139 Ų139151.9 Ų151.973%0.72877%0.774SS**  cis71.6111.549.3-66.8173.3000114.9
300V28.3Very low29.3Very low145 Ų145154.1 Ų154.188%0.87978%0.778SS**  trans-142.5144.1143.91770000107.4
301M29.9Very low29Very low151 Ų151155.4 Ų155.474%0.74478%0.78SS**  trans-115.1-168.8-177.6-68.9-72.3-67.200108
302P44Very low28.8Very low94 Ų94161.1 Ų161.161%0.6179%0.786SS**  cis-144.9-150.38.539.8-14.7000115.1
303E26.7Very low28.4Very low180 Ų180159 Ų15984%0.84178%0.783SS**  trans87.5108.2154.5-78.1156-149.200120.8
304H32.3Very low28.2Very low183 Ų183158.7 Ų158.785%0.84779%0.786SS**  trans-73.8142.8155.1-77.9-115.2000110.2
305Q26.4Very low28Very low159 Ų159157.3 Ų157.374%0.74378%0.784SS**  -171.5167107.8-104.8175.256.600113.9
306S27.2Very low27.9Very low82 Ų82153 Ų15357%0.57377%0.774SS**  trans-75.2132.5178.251.70000113.3
307R24.9Very low28.1Very low221 Ų221154.6 Ų154.683%0.83477%0.772SS**  trans-161.7154.9134.2-127.9178.6-178.8-112.43.2113.2E309R307-E309 IonicContact NH1-OE2 3.12Å; R307-E309 PolarHBondContact NH1-OE2 2.84Å
308C23.2Very low28.1Very low108 Ų108147 Ų14773%0.7377%0.766SS**  trans-77.7148.9157.6-49.20000109.1
309E22.8Very low28.2Very low177 Ų177146.5 Ų146.583%0.82777%0.767SS**  -171.3175.1105.8-101176.913000112.1R307R307-E309 IonicContact NH1-OE2 3.12Å; R307-E309 PolarHBondContact NH1-OE2 2.84Å
310F25.2Very low28.2Very low199 Ų199150.5 Ų150.587%0.87377%0.773SS**  trans-110135.5-159-142-99.2000111.5
311Q26.1Very low29.2Very low175 Ų175148.6 Ų148.682%0.81876%0.764SS**  trans-153.5104.9152.2-127169.652.600116.4
312R27Very low29.4Very low221 Ų221146.5 Ų146.583%0.83477%0.77SS**  trans55.8111.9132.3-172.2-171.8-65.3-177.8-0.1119.4
313G24.5Very low28.7Very low71 Ų71145 Ų14573%0.73277%0.771SS**  trans168.488.3149.500000120.2
314S25.1Very low29Very low111 Ų111143.4 Ų143.478%0.77677%0.769SS**  trans78129.7145.9-140.90000122.2
315L28.1Very low29.1Very low149 Ų149141 Ų14178%0.7876%0.761SS**  trans55.1139.5156.7-93.164.2000119.3
316E29.7Very low29.5Very low141 Ų141140.1 Ų140.166%0.65976%0.761SS**  cis-136.5162.52.5-94.9-72.657.400111.3
317I30Very low29.5Very low144 Ų144139.2 Ų139.274%0.73877%0.765SS**  trans9.8120.2151.4-52.2162.5000116.4
318G29.7Very low29.9Very low72 Ų72136.8 Ų136.874%0.74276%0.76SS**  cis177.3-156.89.300000109.7
319L31.5Very low30.1Very low154 Ų154141.7 Ų141.781%0.80676%0.763SS**  cis-142.7-90.3-1.3-113.5176.7000113.1
320R30.2Very low30.3Very low223 Ų223141.1 Ų141.184%0.84277%0.765SS**  trans-178.8174.6-169.2-116.4-167.1-92.9126.7-8.8112.7
321P48.6Very low30.4Very low106 Ų106134.9 Ų134.969%0.68876%0.757SS**  cis-136.9163.5-11.538.5-21000117.9
322A33.4Very low30.3Very low107 Ų107138.9 Ų138.988%0.88477%0.765SS**  trans41.3151.1139.600000123.1
323G29.4Very low30.4Very low61 Ų61133.6 Ų133.663%0.62976%0.762SS**  cis166.1156.4-6.400000114
324D33.9Very low31.7Very low148 Ų148135 Ų13579%0.79176%0.758SS**  42.2145.1128.8-60.5-5.1000122.4
325L34.4Very low31.9Very low132 Ų132139.9 Ų139.969%0.69176%0.759SS**  cis-167.9170.9-6.5-109.1168.9000109.3
326L33.8Very low31.8Very low141 Ų141140 Ų14074%0.73876%0.759SS**  trans38.4113.8152.5-67156.3000118.7
327G27.6Very low31.7Very low63 Ų63137.5 Ų137.565%0.64976%0.757SS**  cis93.9114.624.700000113.2
328K33Very low31.6Very low169 Ų169134.8 Ų134.874%0.73575%0.751SS**  trans176.2119.5146.9-96.3147.6-166.7168.60115.9
329R28.3Very low31.5Very low211 Ų211137.6 Ų137.680%0.79675%0.749SS**  trans77.1152.2140.1-70.1-171-71.6-130.24.3122.9
330L27.5Very low31.2Very low166 Ų166134.9 Ų134.987%0.86974%0.742SS**  trans77.597.7154.7-73.6154.7000120.2
331G25.7Very low31Very low68 Ų68133.6 Ų133.670%0.70174%0.743SS**  103.3114.994.100000119.9
332R25.6Very low30Very low259 Ų259132.9 Ų132.998%0.97774%0.74SS**  trans68.3141.5158.1-60.1-174177.1-158.5-0.8118.8
333S28Very low29.8Very low110 Ų110135.2 Ų135.277%0.76973%0.733SS**  trans-102.3175.6166.3-161.90000108.4
334P53.2Low29.8Very low101 Ų101142.4 Ų142.466%0.65675%0.747SS**  cis-134.3-175.3-2.723.42.3000115.3
335R28.8Very low29.6Very low213 Ų213147 Ų14780%0.80475%0.753SS**  130.6147.9127.7-73.4-157.9173.4-135.8-1.2118.8
336I26.4Very low29.2Very low150 Ų150145.6 Ų145.677%0.76976%0.76SS**  trans71.6144.6154.3-69.2153.4000115
337S25.7Very low29Very low90 Ų90150.2 Ų150.263%0.62977%0.768SS**  cis-133.5153.75.5-136.20000110.3
338S28Very low29.1Very low86 Ų86151.1 Ų151.160%0.60176%0.764SS**  56.8143.791.199.80000115.1
339D28.1Very low28.8Very low132 Ų132151.8 Ų151.871%0.70677%0.77SS**  cis-146.1138.112.8-91.2-59.3000109.6
340C26.6Very low28.7Very low96 Ų96147 Ų14765%0.64977%0.769SS**  85.3112.671-76.70000116.8
341F25.2Very low29.4Very low196 Ų196144.5 Ų144.586%0.8676%0.763SS**  trans65.5157.5153.9-69.9-73.2000120.2
342S28.3Very low29.5Very low91 Ų91150.2 Ų150.264%0.63677%0.771SS**  cis-148.7172.9-2.4-141.30000112.7
343E28.3Very low29.5Very low156 Ų156141.7 Ų141.773%0.72976%0.756SS**  trans-69.3165.1172.7-32.7108.994.200114.3
344K29.5Very low29.5Very low213 Ų213144.7 Ų144.793%0.92676%0.758SS**  -161.8157.8123.9-108.6154.6-171.6171.10114.4
345R29.8Very low28.3Very low245 Ų245143.7 Ų143.793%0.92576%0.758SS**  trans-87.3154.1178.9-51.6170.7176.6-170.5-3.2111.1
346A26.9Very low28.2Very low101 Ų101140.3 Ų140.384%0.83576%0.755SS**  -170.8159.5126.600000114.8
347R28.1Very low28.5Very low238 Ų238141.8 Ų141.890%0.89876%0.764SS**  trans-41.5166152.5-74.1176-179.7172.4-2.4114.7
348S29.7Very low28.7Very low82 Ų82144.5 Ų144.557%0.57377%0.771SS**  cis-167.2-179.8-5.538.30000110.5
349E26.7Very low29.5Very low183 Ų183146 Ų14686%0.85578%0.778SS**  trans75.2152.3158.4-72.4149.311600119.3
350S27.3Very low29.5Very low112 Ų112150.7 Ų150.778%0.78379%0.786SS**  trans-130.8165.5171.760.80000108.4
351P42.2Very low29.8Very low113 Ų113154.2 Ų154.273%0.73479%0.793SS**  -146.8170.9104.937.9-22.3000115.5
352Q26.4Very low30.1Very low187 Ų187153.3 Ų153.387%0.87480%0.796SS**  trans11.5150.7143.1-61.3169.1-22.400119.8
353A26Very low30.4Very low80 Ų80152.1 Ų152.166%0.66180%0.798SS**  cis-158.1-179.119.800000112.2
354E27.9Very low31.1Very low173 Ų173150.2 Ų150.281%0.80880%0.799SS**  trans25.5152.2154.6-88.285.5137.900122
355A27.7Very low31.8Very low81 Ų81145.9 Ų145.967%0.66980%0.796SS**  cis-176.81701.800000108.1
356L28.3Very low32.9Very low142 Ų142137.5 Ų137.574%0.74377%0.768SS**  cis-167.2133.9-23.7-103.2168.9000107.2
357L31.7Very low34.8Very low181 Ų181134.8 Ų134.895%0.94875%0.746SS**  trans-146.7144.5155.7-82.2-171.6000111
358L30.6Very low36.3Very low147 Ų147128 Ų12877%0.7773%0.732SS**  trans-123.4175.2-168.2-93.2170.4000109.2
359P44.9Very low38Very low117 Ų117130.1 Ų130.176%0.7673%0.733SS**  cis-153.316733.345-24.1000121.3
360R27.3Very low39.9Very low231 Ų231124.3 Ų124.387%0.87271%0.708SS**  trans70.196.9146.5-136.8164.9-173.7151.21.5118.1
361E32.9Very low42Very low170 Ų170124.8 Ų124.879%0.79470%0.698SS**  82.9104.768.1-77.8-71.6170.800115.8
362L32.4Very low43.2Very low176 Ų176127.1 Ų127.192%0.92169%0.693SS**  trans-167.3121.8139.1-149.773.7000114.1
363G34Very low45.4Very low66 Ų66126 Ų12668%0.6868%0.681SS**  trans90.8124.6151.100000118.2
364P43.7Very low47.5Very low116 Ų116129.8 Ų129.875%0.75368%0.678SS**PPolyproline II helixtrans-88.2152.2-179.234.8-34.9000114
365S43.2Very low49.6Very low122 Ų122125.9 Ų125.985%0.85366%0.662SS**PPolyproline II helixtrans-69.1134.4167.1-169.20000110.9
366M52.3Low51.5Low69 Ų69125.3 Ų125.334%0.3465%0.65SS.*PPolyproline II helixtrans-102.2132.6179.5-72.7-64.9-49.500110.4D370 R374M366-D370 HydrophobicContact CE-CB 3.52Å; M366-R374 VanDerWaalsContact CE-CZ 3.42Å; M366-R374 PolarHBondContact SD-NH1 3Å; M366-R374 VanDerWaalsContact SD-NH1 3.38Å
367A67.1Low53.3Low45 Ų45121.4 Ų121.437%0.37264%0.635SS.*PPolyproline II helixtrans-67.6145.8169.600000111.1E369 D370 H371A367-E369 PolarHBondContact O-N 3.34Å; A367-D370 PolarHBondContact O-N 2.87Å; A367-H371 PolarHBondContact O-N 3.47Å; A367-H371 VanDerWaalsContact O-N 3.17Å
368P59.6Low54.5Low95 Ų95115.7 Ų115.762%0.61761%0.613SS**Hα-helixtrans-54.1-36.5179.5-26.835000113.9D370 H371 Y372P368-D370 PolarHBondContact O-N 3.45Å; P368-H371 WeakPolarHBondContact O-CB 3.38Å; P368-H371 PolarHBondContact O-N 3.12Å; P368-Y372 PolarHBondContact O-N 3.38Å
369E65.5Low55.4Low126 Ų126114.4 Ų114.459%0.58961%0.607SS**Hα-helixtrans-67.2-36.6-177-62.167.1-145.600111.7A367 Y372 R373A367-E369 PolarHBondContact O-N 3.34Å; E369-Y372 PolarHBondContact O-N 3Å; E369-R373 WeakPolarHBondContact O-CG 3.27Å; E369-R373 PolarHBondContact O-N 2.96Å
370D67.4Low55.7Low62 Ų62112.2 Ų112.233%0.33259%0.594SS.*Hα-helixtrans-82.1-22.5176.5-73.3-32.8000112.5M366 A367 P368 R373 R374M366-D370 HydrophobicContact CE-CB 3.52Å; A367-D370 PolarHBondContact O-N 2.87Å; P368-D370 PolarHBondContact O-N 3.45Å; D370-R373 IonicContact OD1-CZ 3.45Å; D370-R373 IonicContact OD1-NE 3.25Å; D370-R373 PolarHBondContact OD1-NE 3.21Å; D370-R373 IonicContact OD1-NH2 2.77Å; D370-R373 PolarHBondContact OD1-NH2 2.94Å; D370-R374 WeakPolarHBondContact O-CB 3.29Å; D370-R374 VanDerWaalsContact O-CG 3.3Å; D370-R374 WeakPolarHBondContact O-CG 3.38Å; D370-R374 PolarHBondContact O-N 3.23Å
371H70.7Confident56.5Low121 Ų121108.4 Ų108.456%0.5659%0.587SS**Hα-helixtrans-65.6-46.3163.9-173.879.8000110.5A367 P368 R374 L375A367-H371 PolarHBondContact O-N 3.47Å; A367-H371 VanDerWaalsContact O-N 3.17Å; P368-H371 WeakPolarHBondContact O-CB 3.38Å; P368-H371 PolarHBondContact O-N 3.12Å; H371-R374 PolarHBondContact O-N 3.47Å; H371-L375 WeakPolarHBondContact O-CB 3.41Å; H371-L375 PolarHBondContact O-N 3.2Å
372Y67.1Low56.9Low163 Ų163104.3 Ų104.364%0.63958%0.582SS**Hα-helixtrans-60.3-46.7175.1-175.1-98.4000112.1P368 E369 R374 L375 V376P368-Y372 PolarHBondContact O-N 3.38Å; E369-Y372 PolarHBondContact O-N 3Å; Y372-R374 PolarHBondContact O-N 2.91Å; Y372-L375 PolarHBondContact O-N 3.04Å; Y372-L375 VanDerWaalsContact O-N 3.17Å; Y372-V376 HydrophobicContact CD1-CG2 4.14Å; Y372-V376 HydrophobicContact CE1-CG2 3.73Å; Y372-V376 HydrophobicContact CE2-CG2 4.44Å; Y372-V376 WeakPolarHBondContact O-CG2 3.39Å; Y372-V376 PolarHBondContact O-N 3.16Å
373R73.2Confident56.9Low164 Ų164100.4 Ų100.462%0.61957%0.569SS**Hα-helixtrans-62.3-40.7176.8-74.1-159.3-66.9-176.9-3.2113E369 D370 L375 V376 S377E369-R373 WeakPolarHBondContact O-CG 3.27Å; E369-R373 PolarHBondContact O-N 2.96Å; D370-R373 IonicContact OD1-CZ 3.45Å; D370-R373 IonicContact OD1-NE 3.25Å; D370-R373 PolarHBondContact OD1-NE 3.21Å; D370-R373 IonicContact OD1-NH2 2.77Å; D370-R373 PolarHBondContact OD1-NH2 2.94Å; R373-L375 VanDerWaalsContact C-N 3.31Å; R373-L375 PolarHBondContact O-N 3.4Å; R373-V376 PolarHBondContact O-N 3.1Å; R373-S377 WeakPolarHBondContact O-CB 3.22Å; R373-S377 PolarHBondContact O-N 3.44Å; R373-S377 PolarHBondContact O-OG 3.29Å
374R70.8Confident56.9Low158 Ų158103.4 Ų103.460%0.59657%0.574SS**Hα-helixtrans-62.7-37.4173.6-76.4178.9-175.7172.37.4112.6M366 D370 H371 Y372 S377 A378M366-R374 VanDerWaalsContact CE-CZ 3.42Å; M366-R374 PolarHBondContact SD-NH1 3Å; M366-R374 VanDerWaalsContact SD-NH1 3.38Å; D370-R374 WeakPolarHBondContact O-CB 3.29Å; D370-R374 VanDerWaalsContact O-CG 3.3Å; D370-R374 WeakPolarHBondContact O-CG 3.38Å; D370-R374 PolarHBondContact O-N 3.23Å; H371-R374 PolarHBondContact O-N 3.47Å; Y372-R374 PolarHBondContact O-N 2.91Å; R374-S377 PolarHBondContact O-N 3.25Å; R374-A378 WeakPolarHBondContact O-CB 3.47Å; R374-A378 PolarHBondContact O-N 3.39Å
375L72Confident56.3Low91 Ų91107.5 Ų107.548%0.47658%0.58SS.*Hα-helixtrans-68.3-41.6178-156.4158.8000111.1H371 Y372 R373 L379H371-L375 WeakPolarHBondContact O-CB 3.41Å; H371-L375 PolarHBondContact O-N 3.2Å; Y372-L375 PolarHBondContact O-N 3.04Å; Y372-L375 VanDerWaalsContact O-N 3.17Å; R373-L375 VanDerWaalsContact C-N 3.31Å; R373-L375 PolarHBondContact O-N 3.4Å; L375-L379 HydrophobicContact CD2-CD1 3.78Å; L375-L379 HydrophobicContact CD2-CG 4.38Å; L375-L379 WeakPolarHBondContact O-CG 3.44Å; L375-L379 PolarHBondContact O-N 3.17Å; L375-L379 VanDerWaalsContact O-N 3.15Å
376V67Low55.8Low70 Ų70109.8 Ų109.842%0.42458%0.578SS.*Hα-helixtrans-64.5-43.2172.7174.40000111.7Y372 R373 L379 S380Y372-V376 HydrophobicContact CD1-CG2 4.14Å; Y372-V376 HydrophobicContact CE1-CG2 3.73Å; Y372-V376 HydrophobicContact CE2-CG2 4.44Å; Y372-V376 WeakPolarHBondContact O-CG2 3.39Å; Y372-V376 PolarHBondContact O-N 3.16Å; R373-V376 PolarHBondContact O-N 3.1Å; V376-L379 PolarHBondContact O-N 2.95Å; V376-S380 PolarHBondContact O-N 3.25Å
377S64.9Low54.8Low60 Ų60113 Ų11342%0.4260%0.597SS.*Hα-helixtrans-62-46.3176-68.90000112.3R373 R374 L379 S380 E381R373-S377 WeakPolarHBondContact O-CB 3.22Å; R373-S377 PolarHBondContact O-N 3.44Å; R373-S377 PolarHBondContact O-OG 3.29Å; R374-S377 PolarHBondContact O-N 3.25Å; S377-L379 PolarHBondContact O-N 3.27Å; S377-S380 WeakPolarHBondContact CA-OG 3.19Å; S377-S380 WeakPolarHBondContact O-CA 3.3Å; S377-S380 PolarHBondContact O-N 3.23Å; S377-S380 PolarHBondContact O-OG 3.47Å; S377-E381 PolarHBondContact O-N 2.82Å
378A58.3Low53.7Low60 Ų60116.7 Ų116.750%0.49662%0.617SS.*Hα-helixtrans-62.5-29.6177.800000113.1R374R374-A378 WeakPolarHBondContact O-CB 3.47Å; R374-A378 PolarHBondContact O-N 3.39Å
379L50Low52.5Low121 Ų121120.2 Ų120.263%0.63463%0.625SS**Hα-helixtrans-74.1-32171.4-70.9171.4000112.6L375 V376 S377L375-L379 HydrophobicContact CD2-CD1 3.78Å; L375-L379 HydrophobicContact CD2-CG 4.38Å; L375-L379 WeakPolarHBondContact O-CG 3.44Å; L375-L379 PolarHBondContact O-N 3.17Å; L375-L379 VanDerWaalsContact O-N 3.15Å; V376-L379 PolarHBondContact O-N 2.95Å; S377-L379 PolarHBondContact O-N 3.27Å
380S49.5Very low50.9Low71 Ų71125.7 Ų125.750%0.49764%0.64SS.*Hα-helixtrans-76.1-29.5176.267.20000114V376 S377 A382 S383V376-S380 PolarHBondContact O-N 3.25Å; S377-S380 WeakPolarHBondContact CA-OG 3.19Å; S377-S380 WeakPolarHBondContact O-CA 3.3Å; S377-S380 PolarHBondContact O-N 3.23Å; S377-S380 PolarHBondContact O-OG 3.47Å; S380-A382 PolarHBondContact O-N 3.21Å; S380-S383 PolarHBondContact O-N 2.84Å; S380-S383 PolarHBondContact O-OG 3.23Å
381E45.4Very low49.2Very low151 Ų151130 Ų13071%0.70666%0.662SS**Hα-helixtrans-70.5-19175.2-71.5176170.900112.5S377 S383S377-E381 PolarHBondContact O-N 2.82Å; E381-S383 VanDerWaalsContact C-N 3.3Å; E381-S383 PolarHBondContact O-N 3.35Å
382A40.6Very low47.3Very low84 Ų84134.6 Ų134.669%0.69468%0.676SS**THydrogen-bonded Turntrans-79.4-2.9177.400000114.6S380S380-A382 PolarHBondContact O-N 3.21Å
383S33.2Very low45.5Very low93 Ų93134.6 Ų134.665%0.6568%0.682SS**  trans-117.269.5-179.5630000112.9S380 E381S380-S383 PolarHBondContact O-N 2.84Å; S380-S383 PolarHBondContact O-OG 3.23Å; E381-S383 VanDerWaalsContact C-N 3.3Å; E381-S383 PolarHBondContact O-N 3.35Å
384T34.3Very low43.4Very low129 Ų129135.1 Ų135.179%0.79170%0.696SS**  trans-111.976.917141.30000111.8
385F30.3Very low41.2Very low202 Ų202130.7 Ų130.789%0.88670%0.699SS**  trans-149.6141.3159.4-155-99.1000112.1
386E32.9Very low39.4Very low171 Ų171135 Ų13580%0.79972%0.722SS**  trans-100.7157.2-177.6-71.1-137.898.600113.6
387D31.2Very low38Very low137 Ų137137.2 Ų137.273%0.73374%0.738SS**  trans53.3116.4155.8-158.445.2000120.5Q389D387-Q389 PolarHBondContact O-N 2.99Å
388P43.4Very low36.3Very low122 Ų122139.7 Ų139.779%0.79276%0.755SS**  trans-96.175.9-172.938-35.4000114.1
389Q34.2Very low35Very low168 Ų168144.4 Ų144.479%0.78577%0.766SS**  trans-155.178.5174-133.5169.885.100117D387D387-Q389 PolarHBondContact O-N 2.99Å
390R33.2Very low33.9Very low241 Ų241145.1 Ų145.191%0.90977%0.771SS**  trans-166153.3158.5-110142.2-178.1153.71.2115.2
391L31.2Very low33.1Very low152 Ų152149.7 Ų149.780%0.79679%0.789SS**  trans55.691.9171.9-79.977.3000118.4
392Y30.5Very low32.3Very low219 Ų219150.2 Ų150.286%0.85980%0.796SS**  -79.9134.1118.5-84.4-93.6000108.2
393H29.7Very low31.8Very low162 Ų162157.5 Ų157.575%0.7581%0.805SS**  trans157.8131.8138.1-92.376.2000111.9
394L28.6Very low31.7Very low176 Ų176159.3 Ų159.392%0.92181%0.812SS**  trans63.7155.2163.9-56.1159.9000115.5
395G25.6Very low31.5Very low65 Ų65162.3 Ų162.367%0.6781%0.809SS**  cis176.7142.1-8.400000109.9
396L32.3Very low31.5Very low180 Ų180161.8 Ų161.894%0.94281%0.809SS**  trans-66.8147.6177.5-69.5169.2000111.3
397P38.7Very low31.4Very low117 Ų117159.4 Ų159.476%0.7680%0.798SS**  -147.7159.111338.5-24.2000116.9
398S28.9Very low31.3Very low112 Ų112159.6 Ų159.678%0.78380%0.804SS**  trans55115.3150.8-156.60000122.5
399H31.8Very low30.5Very low159 Ų159158.8 Ų158.874%0.73681%0.807SS**  -1157.7125.5-114-97.2000121.8
400D27.1Very low30.1Very low136 Ų136155.7 Ų155.773%0.72781%0.811SS**  trans81.690.7157.2-66.9-14.6000120.2
401L31Very low29.8Very low168 Ų168148.9 Ų148.988%0.8881%0.806SS**SBend-140.9155.1128.4-106.5173.6000110.1
402L29Very low29.6Very low162 Ų162146 Ų14685%0.84881%0.805SS**  trans68.364.3176-51.1-175.1000118
403R31.1Very low29.5Very low236 Ų236142 Ų14289%0.89180%0.797SS**  trans-125.294.1143.1-172.7-175.2-63.2176.53.7110.7
404V31Very low29.5Very low132 Ų132145 Ų14580%0.880%0.802SS**  trans-122.1116169.1175.10000109.1
405R30.6Very low29.4Very low191 Ų191139.9 Ų139.972%0.72179%0.792SS**  trans41.9102.7167.7-77.5179.1146.9169.3-9.8117.9E407R405-E407 HydrophobicContact CG-CG 4.02Å; R405-E407 IonicContact CZ-OE1 2.67Å; R405-E407 VanDerWaalsContact NE-CD 3.31Å; R405-E407 IonicContact NE-OE1 3.03Å; R405-E407 PolarHBondContact NE-OE1 3.08Å; R405-E407 IonicContact NE-OE2 3.14Å; R405-E407 IonicContact NH2-OE1 2.83Å; R405-E407 PolarHBondContact NH2-OE1 3.41Å; R405-E407 IonicContact NH2-OE2 3.76Å
406Q30Very low30.4Very low191 Ų191142.4 Ų142.489%0.89380%0.796SS**  -115.4141.2104-166.3160.912.800108.6
407E31.1Very low30.1Very low122 Ų122139.4 Ų139.457%0.5779%0.791SS**  trans-90.4141.9-175-60.8172.512300108.7R405R405-E407 HydrophobicContact CG-CG 4.02Å; R405-E407 IonicContact CZ-OE1 2.67Å; R405-E407 VanDerWaalsContact NE-CD 3.31Å; R405-E407 IonicContact NE-OE1 3.03Å; R405-E407 PolarHBondContact NE-OE1 3.08Å; R405-E407 IonicContact NE-OE2 3.14Å; R405-E407 IonicContact NH2-OE1 2.83Å; R405-E407 PolarHBondContact NH2-OE1 3.41Å; R405-E407 IonicContact NH2-OE2 3.76Å
408V29.3Very low29.5Very low140 Ų140137.7 Ų137.785%0.84879%0.794SS**  cis69.583.443.5-1720000112.8
409A25.4Very low29.5Very low105 Ų105140.4 Ų140.487%0.86880%0.799SS**  trans-147.7105158.300000110.7
410A26.9Very low29.2Very low103 Ų103142.3 Ų142.385%0.85181%0.808SS**  trans-120.9169155.700000106.4
411A26.4Very low29Very low98 Ų98139.1 Ų139.181%0.8180%0.8SS**  cis-154.9161.65.800000110
412A26.4Very low28.7Very low93 Ų93140 Ų14077%0.76980%0.799SS**  trans-161.5124.9168.200000109
413L28.4Very low28.6Very low133 Ų133140.1 Ų140.170%0.69680%0.8SS**  cis-144.3144.4-1.7-83.6164.7000110.7
414R30.6Very low28.6Very low225 Ų225134.8 Ų134.885%0.84980%0.796SS**  trans45.4126.5142-59177.4-174.6154.52.3121.2
415G26.8Very low28.2Very low69 Ų69134 Ų13471%0.71180%0.797SS**  trans-82.1-141.3144.600000111.2
416P45.3Very low27.8Very low118 Ų118129.1 Ų129.177%0.76679%0.792SS**  cis-139.8-178.45.340.1-19.7000116.1
417S25.4Very low27.5Very low118 Ų118126.4 Ų126.483%0.82579%0.788SS**  trans39.1126.7145.262.90000122.6
418G28Very low27.4Very low80 Ų80125 Ų12583%0.82580%0.798SS**  trans-146.6144.4152.700000110.3
419L28.5Very low27.3Very low170 Ų170121.9 Ų121.989%0.8979%0.794SS**  trans-132.9109.1-173.4-96.5169.6000110.8
420E24.1Very low27.5Very low198 Ų198125 Ų12593%0.92579%0.79SS**  trans-174169.5163.5-109.6164.5106.400109.1
421A24.2Very low27.6Very low69 Ų69129.3 Ų129.357%0.5779%0.785SS**  -165.7157.9-60.100000108.1
422H24.9Very low28Very low186 Ų186134.9 Ų134.986%0.86179%0.785SS**  trans64.5138.9167.7-57.7-70.1000120.5
423L26.8Very low28.6Very low165 Ų165138.3 Ų138.386%0.86478%0.782SS**  trans-81.4163.7164.7-61.6163000109.5
424P29.9Very low28.9Very low125 Ų125139.7 Ų139.781%0.81279%0.785SS**  -139.4168.890.139.2-27.4000115.2
425S22.5Very low28.8Very low115 Ų115132 Ų13280%0.80478%0.776SS**  trans-85176.4168.4-174.40000111.6
426S23.1Very low28.8Very low88 Ų88136.7 Ų136.762%0.61578%0.784SS**  trans122.2103.9134-157.50000118.6
427T24.1Very low28Very low134 Ų134135 Ų13582%0.82278%0.779SS**  trans64.6171.1136.263.90000118.5
428A27.7Very low28.3Very low93 Ų93137.5 Ų137.577%0.76978%0.778SS**  cis-138.9159.9-500000109
429G27.3Very low28.2Very low74 Ų74141.3 Ų141.376%0.76377%0.774SS**  93.1158.5100.300000113.5
430Q30.8Very low28.4Very low171 Ų171142.7 Ų142.780%0.79977%0.768SS**  cis-167.4137.7-1-144.1-169.239.600112.1
431R29.2Very low28.5Very low194 Ų194142.2 Ų142.273%0.73277%0.766SS**  trans61.7167.8158.9-76173.7176-79.75.8116.8
432R34.7Very low28.7Very low214 Ų214142.4 Ų142.481%0.80877%0.774SS**  cis-141.1172.611.5-129148.9177156.7-3107.2
433K37.6Very low28.8Very low166 Ų166138.8 Ų138.872%0.72278%0.777SS**  cis-121.1-88.615-89.4-176.4166.3-179.90114.7
434Q35.8Very low28.9Very low161 Ų161135.4 Ų135.475%0.75277%0.772SS**  trans-163.7163.3-146.5-72.4149.5-9800110
435G27.8Very low29.8Very low64 Ų64135.3 Ų135.366%0.6677%0.771SS**  cis153.6178-11.200000115.7
436L27.9Very low30Very low168 Ų168134.6 Ų134.688%0.8877%0.773SS**  trans64.2158.1179.4-77.671.6000115.2
437A28Very low30.1Very low81 Ų81135.2 Ų135.267%0.66978%0.783SS**  cis-178.9172.1-27.300000105.4
438Q30.6Very low30.2Very low172 Ų172133.3 Ų133.380%0.80478%0.781SS**  cis-165.9153.213.8-152.1169.717.300110.4
439H27Very low30.8Very low160 Ų160134.8 Ų134.874%0.74178%0.783SS**  trans59.9169.2151.8-101.7-136.6000121.9
440R31.7Very low30.9Very low198 Ų198135.7 Ų135.775%0.74778%0.777SS**  174.1133.2-56.8170.5-174.8178.7106.21.7109.8
441E26.4Very low30.6Very low189 Ų189136.9 Ų136.988%0.88378%0.78SS**  trans177.2151.7145-99.6150.3-158.100107.9
442G29.1Very low30.5Very low73 Ų73131.7 Ų131.775%0.75377%0.774SS**  cis127.5122.24.500000110
443A27.2Very low30Very low110 Ų110128.9 Ų128.991%0.90977%0.77SS**  cis-148.7-1702.700000111.8
444A27.8Very low29.6Very low94 Ų94130.1 Ų130.178%0.77777%0.77SS**  trans-109.7-151.9-175.100000111.3
445P50.8Low29.1Very low122 Ų122129.1 Ų129.179%0.79277%0.765SS**  cis-145.6-165.517.845.9-24.4000118
446A25.4Very low29Very low100 Ų100133.7 Ų133.783%0.82677%0.774SS**  trans82.2137.6160.600000119.1
447A26Very low29.8Very low101 Ų101130.2 Ų130.284%0.83576%0.761SS**  cis-158.2163.9-15.700000111.6
448A26.4Very low29.6Very low95 Ų95134.9 Ų134.979%0.78577%0.769SS**  trans-97-171.8172.400000110.4
449P39.9Very low30.4Very low124 Ų124132.1 Ų132.181%0.80577%0.766SS**  cis-136.1-138.120.240.1-16.3000113.4
450S28.7Very low31.4Very low92 Ų92130 Ų13064%0.64377%0.766SS**  -159.5170.8-89.270.10000111.2
451F25.5Very low32.3Very low196 Ų196125.6 Ų125.686%0.8676%0.764SS**  trans67.2161.7169.1-83.2-124.2000117.8
452S27.3Very low32.5Very low85 Ų85124.4 Ų124.459%0.59476%0.762SS**  cis-175.4156.1-30-90.70000112.1
453E24.4Very low32.6Very low155 Ų155128.3 Ų128.372%0.72477%0.765SS**  trans61.5166.2168.3-69-174.370.100116.9
454R28.8Very low32.7Very low193 Ų193128.2 Ų128.273%0.72876%0.758SS**  cis-164.7-177.28.8-131.5167.2143.592.84.3108.8
455E24.5Very low33.6Very low140 Ų140128.7 Ų128.765%0.65475%0.753SS**  cis-142.1-110.9-5.8-166.8165.261.100113.6
456L26.3Very low32.8Very low160 Ų160130.5 Ų130.584%0.83875%0.751SS**  trans-151.3-147.1-160.9-134.270.2000115.6
457P43.5Very low32.9Very low94 Ų94132.7 Ų132.761%0.6175%0.748SS**  -123.8167.2-99.634.8-15.2000120.8
458Q24.3Very low33Very low180 Ų180132.3 Ų132.384%0.84175%0.745SS**  trans67170.1140.8-82.3-174.1-16.200122
459P48.4Very low33.8Very low114 Ų114132.5 Ų132.574%0.7474%0.739SS**  cis-135.6-131.3-41.645.6-26.4000114.7
460P46.2Very low33.3Very low114 Ų114135 Ų13574%0.7474%0.74SS**  trans-124.1-143.3-150.840.3-13.3000112.6
461P52.5Low33.4Very low107 Ų107137.6 Ų137.670%0.69575%0.751SS**  cis-132.7-161.8-18.743.9-25.5000113.9
462L30.7Very low33.8Very low164 Ų164132.7 Ų132.786%0.85975%0.746SS**  trans176.3174.5131.7-92.8175.1000114.4
463L29.2Very low34.1Very low155 Ų155137.3 Ų137.381%0.81276%0.763SS**  trans-141.2142.3-160.2-70.4165.3000116.6
464S29.3Very low34.4Very low108 Ų108133 Ų13376%0.75576%0.76SS**  trans60.4-177.5141.8-58.60000118.4
465P48.6Very low35.5Very low104 Ų104129.3 Ų129.368%0.67576%0.761SS**  cis-144.2-169.93.546.6-27.7000118.5
466Q32Very low35.9Very low160 Ų160131.7 Ų131.775%0.74877%0.772SS**  trans90.5113.6147.9-77.4-172.293.200124.4
467N28.6Very low36.3Very low145 Ų145132.3 Ų132.378%0.77578%0.775SS**  69.8145.8129.1-64.2-25.9000123.8
468A27.4Very low35.7Very low93 Ų93138.7 Ų138.777%0.76979%0.788SS**  trans-108.9-161.8178.700000109.9
469P43.5Very low37Very low100 Ų100134.7 Ų134.765%0.64978%0.777SS**  cis-150.4-176.928.246.3-25000119.2
470H28.8Very low37.1Very low177 Ų177135.3 Ų135.382%0.81978%0.781SS**  trans58126.9155.1-54.2-49000122.6
471V31.8Very low36.6Very low146 Ų146138.5 Ų138.589%0.88578%0.784SS**  -169.7151.6111.6145.50000108.4
472A34.1Very low35.9Very low92 Ų92142.1 Ų142.176%0.7680%0.796SS**  trans-127.9148.8175.700000111.2
473L32.5Very low35.9Very low182 Ų182137.3 Ų137.395%0.95379%0.786SS**  trans-157.4162.7167.1-108.5174.3000111.8
474G30.8Very low36.2Very low64 Ų64136.7 Ų136.766%0.6679%0.789SS**  trans-92.8-173.1-166.700000117.4
475P53.5Low36.8Very low116 Ų116136.9 Ų136.975%0.75379%0.787SS**  trans-98149.6-163.436.8-35.2000115.1
476H32.6Very low36Very low191 Ų191138.1 Ų138.188%0.88480%0.798SS**  trans-163.8169.1154.2-90.2-43.9000113.2
477L34.1Very low36.2Very low172 Ų172134.6 Ų134.690%0.90180%0.796SS**  trans93142.9168.2-52.5-177.3000120.1
478R31.4Very low36.4Very low229 Ų229135.8 Ų135.886%0.86480%0.802SS**  trans-156.3-179.3-171-105.1-174.4177.7143.2-5.1105.4
479P51.3Low36.6Very low95 Ų95137.2 Ų137.262%0.61781%0.805SS**  cis-117.8-140.3-40.730.6-7.3000108.4F481P479-F481 HydrophobicContact CB-CD2 4.31Å
480P51.4Low36.3Very low127 Ų127141.9 Ų141.983%0.82582%0.818SS**  -135.3177.95830.2-7.7000115.8
481F35.3Very low36.4Very low182 Ų182139.7 Ų139.780%0.79882%0.817SS**  trans-121.8145.7-177.7-82.1-103.4000112.5P479P479-F481 HydrophobicContact CB-CD2 4.31Å
482L36.2Very low36.9Very low183 Ų183139.1 Ų139.196%0.95882%0.817SS**  trans-156.9145.2145.4-71.2-175.5000108.2
483G30.8Very low37Very low63 Ų63138.1 Ų138.165%0.64982%0.815SS**  cis173.368.4-7.400000117.6
484V36.3Very low37.3Very low142 Ų142140.7 Ų140.786%0.86181%0.813SS**  trans70.7156.6150.5-1750000117.2
485P41.4Very low37.6Very low111 Ų111141.1 Ų141.172%0.72182%0.818SS**  cis-116.7159.9-1929.3-12.1000115.2
486S31.2Very low37.3Very low131 Ų131145.3 Ų145.392%0.91683%0.825SS**  trans-117.2135.6145.6-67.40000108.7
487A36.5Very low38.1Very low85 Ų85141.1 Ų141.170%0.70281%0.808SS**  trans-124.4147.7175.100000109.9
488L33.4Very low39.3Very low170 Ų170136.6 Ų136.689%0.8979%0.789SS**  trans65.1116.6-172.7-42.9175.3000111.8
489C32.2Very low40.7Very low123 Ų123130.1 Ų130.183%0.83178%0.777SS**  cis-135148.826-65.20000112.7
490Q35.8Very low41.3Very low199 Ų199128.5 Ų128.593%0.9377%0.771SS**  trans-108.7126.2160.8-66.4-177.411.200109.2
491T31.1Very low41.8Very low131 Ų131127.3 Ų127.380%0.80476%0.755SS**  trans-138.1133.3159.845.90000107.8
492P42.2Very low43.3Very low134 Ų134121 Ų12187%0.8774%0.737SS**  trans-89.6163.3-16335.6-37.3000114
493G38Very low45.2Very low70 Ų70118.4 Ų118.472%0.72272%0.719SS**  trans96.858.915100000117.8
494Y38.3Very low47Very low236 Ų236121.5 Ų121.593%0.92572%0.718SS**  trans-128.1113.8150.2-105-87.7000110.1F496Y494-F496 PolarHBondContact O-N 3.02Å
495G37.6Very low48.9Very low73 Ų73120.5 Ų120.575%0.75370%0.703SS**  trans-73.9118.7173.200000110.1L497G495-L497 PolarHBondContact O-N 3.35Å
496F45.7Very low50.7Low204 Ų204117.9 Ų117.990%0.89569%0.69SS**  trans-74.7108174.8-154.1-85.7000108.7Y494Y494-F496 PolarHBondContact O-N 3.02Å
497L49.2Very low53.3Low104 Ų104120.5 Ų120.555%0.54568%0.68SS.*  trans-61.1135.7176.2-78.3169.6000109.9G495 Q501G495-L497 PolarHBondContact O-N 3.35Å; L497-Q501 HydrophobicContact CD2-CG 4.46Å
498P60.9Low55.7Low76 Ų76122.7 Ų122.749%0.49468%0.676SS.*  trans-55.9141.1172.2-24.834.6000110.9A500 Q501 A502P498-A500 VanDerWaalsContact C-N 3.31Å; P498-A500 PolarHBondContact O-N 3.22Å; P498-Q501 WeakPolarHBondContact O-CA 3.47Å; P498-Q501 WeakPolarHBondContact O-CB 3.18Å; P498-Q501 PolarHBondContact O-N 2.91Å; P498-A502 PolarHBondContact O-N 3.46Å
499P60.8Low58.1Low93 Ų93120.2 Ų120.260%0.60466%0.66SS**Hα-helixtrans-56.5-40-170.217.6-30.5000113.6Q501 A502 E503P499-Q501 PolarHBondContact O-N 3.47Å; P499-A502 WeakPolarHBondContact O-CB 3.35Å; P499-A502 PolarHBondContact O-N 2.94Å; P499-A502 VanDerWaalsContact O-N 3.09Å; P499-E503 WeakPolarHBondContact O-CG 3.37Å; P499-E503 PolarHBondContact O-N 3.41Å
500A62.8Low60.7Low61 Ų61117 Ų11750%0.50463%0.633SS.*Hα-helixtrans-58.4-29.6175.400000113.8P498 M504P498-A500 VanDerWaalsContact C-N 3.31Å; P498-A500 PolarHBondContact O-N 3.22Å; A500-M504 WeakPolarHBondContact O-CG 3.3Å; A500-M504 PolarHBondContact O-N 3.18Å; A500-M504 VanDerWaalsContact O-N 3.13Å
501Q61.3Low63.3Low103 Ų103113.2 Ų113.248%0.48162%0.618SS.*Hα-helixtrans-80.5-32.5178.3-155.8168.918.700111.7L497 P498 P499 M504 F505L497-Q501 HydrophobicContact CD2-CG 4.46Å; P498-Q501 WeakPolarHBondContact O-CA 3.47Å; P498-Q501 WeakPolarHBondContact O-CB 3.18Å; P498-Q501 PolarHBondContact O-N 2.91Å; P499-Q501 PolarHBondContact O-N 3.47Å; Q501-M504 HydrophobicContact CG-CE 4.49Å; Q501-F505 PolarHBondContact O-N 3.41Å
502A67.9Low66Low50 Ų50111.6 Ų111.641%0.41360%0.604SS.*Hα-helixtrans-68.2-39.1169.400000111.9P498 P499 F505 A506P498-A502 PolarHBondContact O-N 3.46Å; P499-A502 WeakPolarHBondContact O-CB 3.35Å; P499-A502 PolarHBondContact O-N 2.94Å; P499-A502 VanDerWaalsContact O-N 3.09Å; A502-F505 PolarHBondContact O-N 3.42Å; A502-A506 WeakPolarHBondContact O-CB 3.49Å; A502-A506 PolarHBondContact O-N 3.05Å
503E75.8Confident68.1Low128 Ų128112 Ų11260%0.59859%0.588SS**Hα-helixtrans-63.8-43.2175.4-74.4173.6-162.900112.5P499 F505 A506 W507P499-E503 WeakPolarHBondContact O-CG 3.37Å; P499-E503 PolarHBondContact O-N 3.41Å; E503-F505 VanDerWaalsContact C-N 3.33Å; E503-F505 PolarHBondContact O-N 3.41Å; E503-A506 PolarHBondContact O-N 3.44Å; E503-W507 PolarHBondContact O-N 3.09Å
504M69.6Low70.4Confident127 Ų127113.5 Ų113.563%0.62658%0.575SS**Hα-helixtrans-61.2-40.8172.9-76.3-171.7-70.800112.2A500 Q501 W507 Q508A500-M504 WeakPolarHBondContact O-CG 3.3Å; A500-M504 PolarHBondContact O-N 3.18Å; A500-M504 VanDerWaalsContact O-N 3.13Å; Q501-M504 HydrophobicContact CG-CE 4.49Å; M504-W507 PolarHBondContact O-N 2.75Å; M504-Q508 WeakPolarHBondContact O-CB 3.33Å; M504-Q508 PolarHBondContact O-N 3.47Å
505F74.7Confident72.5Confident121 Ų121107.9 Ų107.953%0.53156%0.557SS.*Hα-helixtrans-67.4-38.3177.2-165.5-106.7000112.3Q501 A502 E503 Q508 Q509Q501-F505 PolarHBondContact O-N 3.41Å; A502-F505 PolarHBondContact O-N 3.42Å; E503-F505 VanDerWaalsContact C-N 3.33Å; E503-F505 PolarHBondContact O-N 3.41Å; F505-Q508 PolarHBondContact O-N 2.86Å; F505-Q509 HydrophobicContact CD1-CG 4.47Å; F505-Q509 HydrophobicContact CE1-CG 4.32Å; F505-Q509 VanDerWaalsContact CE1-NE2 3.27Å; F505-Q509 WeakPolarHBondContact O-CG 3.41Å; F505-Q509 PolarHBondContact O-N 3.37Å
506A80.4Confident74.4Confident56 Ų56107.6 Ų107.646%0.46354%0.538SS..Hα-helixtrans-63.9-4217300000112A502 E503 Q509 E510A502-A506 WeakPolarHBondContact O-CB 3.49Å; A502-A506 PolarHBondContact O-N 3.05Å; E503-A506 PolarHBondContact O-N 3.44Å; A506-Q509 PolarHBondContact O-N 3.3Å; A506-E510 WeakPolarHBondContact O-CB 3.22Å; A506-E510 PolarHBondContact O-N 3.09Å
507W84.3Confident75.9Confident187 Ų187101.9 Ų101.971%0.70852%0.516SS*.Hα-helixtrans-61.9-41172.4-97103.5000112.7E503 M504 E510 L511E503-W507 PolarHBondContact O-N 3.09Å; M504-W507 PolarHBondContact O-N 2.75Å; W507-E510 PolarHBondContact O-N 3.43Å; W507-L511 WeakPolarHBondContact O-CB 3.33Å; W507-L511 PolarHBondContact O-N 2.68Å
508Q87.3Confident76.9Confident130 Ų13099.5 Ų99.561%0.60751%0.512SS*.Hα-helixtrans-64.5-40.6175.9-174.3176-11.100111.7M504 F505 L512M504-Q508 WeakPolarHBondContact O-CB 3.33Å; M504-Q508 PolarHBondContact O-N 3.47Å; F505-Q508 PolarHBondContact O-N 2.86Å; Q508-L512 WeakPolarHBondContact O-CB 3.48Å; Q508-L512 PolarHBondContact O-N 2.58Å
509Q83.5Confident77.3Confident119 Ų119104 Ų10456%0.55652%0.519SS*.Hα-helixtrans-64.8-43173.2-74.1-170.6-12.800112.4F505 A506 L512 R513F505-Q509 HydrophobicContact CD1-CG 4.47Å; F505-Q509 HydrophobicContact CE1-CG 4.32Å; F505-Q509 VanDerWaalsContact CE1-NE2 3.27Å; F505-Q509 WeakPolarHBondContact O-CG 3.41Å; F505-Q509 PolarHBondContact O-N 3.37Å; A506-Q509 PolarHBondContact O-N 3.3Å; Q509-L512 PolarHBondContact O-N 3.09Å; Q509-R513 WeakPolarHBondContact O-CB 3.32Å; Q509-R513 PolarHBondContact O-N 3.49Å
510E87.7Confident77.5Confident56 Ų56105.6 Ų105.626%0.26252%0.522SS..Hα-helixtrans-68.1-36.4177.917657.5-166.700112.4A506 W507 R513 K514A506-E510 WeakPolarHBondContact O-CB 3.22Å; A506-E510 PolarHBondContact O-N 3.09Å; W507-E510 PolarHBondContact O-N 3.43Å; E510-R513 VanDerWaalsContact CD-NH2 3.3Å; E510-R513 PolarHBondContact O-N 3.49Å; E510-R513 IonicContact OE1-CZ 2.8Å; E510-R513 IonicContact OE1-NE 2.73Å; E510-R513 IonicContact OE1-NH2 3.18Å; E510-R513 PolarHBondContact OE1-NH2 2.71Å; E510-R513 IonicContact OE2-CZ 2.67Å; E510-R513 VanDerWaalsContact OE2-CZ 3.27Å; E510-R513 IonicContact OE2-NE 2.73Å; E510-R513 PolarHBondContact OE2-NE 2.82Å; E510-R513 IonicContact OE2-NH2 3.57Å; E510-R513 PolarHBondContact OE2-NH2 2.9Å; E510-K514 HydrophobicContact CG-CD 4.29Å; E510-K514 WeakPolarHBondContact O-CB 3.18Å; E510-K514 WeakPolarHBondContact O-CG 3.46Å; E510-K514 PolarHBondContact O-N 3.33Å; E510-K514 WeakPolarHBondContact OE1-CE 3.38Å; E510-K514 IonicContact OE1-NZ 2.76Å; E510-K514 PolarHBondContact OE1-NZ 3.5Å
511L91.3Very high77.7Confident118 Ų118107.6 Ų107.662%0.61852%0.521SS*.Hα-helixtrans-65.3-43.5173.3-175.863.3000111.3W507 R513 K514 Q515W507-L511 WeakPolarHBondContact O-CB 3.33Å; W507-L511 PolarHBondContact O-N 2.68Å; L511-R513 VanDerWaalsContact C-N 3.33Å; L511-R513 PolarHBondContact O-N 2.98Å; L511-K514 PolarHBondContact O-N 2.91Å; L511-Q515 PolarHBondContact O-N 3.37Å
512L87.1Confident77.7Confident97 Ų97108.9 Ų108.951%0.50853%0.53SS..Hα-helixtrans-65.2-36.6174.7-173.762.9000111.7Q508 Q509 Q515 N516Q508-L512 WeakPolarHBondContact O-CB 3.48Å; Q508-L512 PolarHBondContact O-N 2.58Å; Q509-L512 PolarHBondContact O-N 3.09Å; L512-Q515 PolarHBondContact O-N 2.82Å; L512-N516 PolarHBondContact O-N 3.03Å; L512-N516 PolarHBondContact O-ND2 3.31Å
513R85.6Confident77.5Confident142 Ų142109.5 Ų109.554%0.53653%0.53SS..Hα-helixtrans-64.2-44.3174-164.7-175.569.482.36.3111.4Q509 E510 L511 N516 L517Q509-R513 WeakPolarHBondContact O-CB 3.32Å; Q509-R513 PolarHBondContact O-N 3.49Å; E510-R513 VanDerWaalsContact CD-NH2 3.3Å; E510-R513 PolarHBondContact O-N 3.49Å; E510-R513 IonicContact OE1-CZ 2.8Å; E510-R513 IonicContact OE1-NE 2.73Å; E510-R513 IonicContact OE1-NH2 3.18Å; E510-R513 PolarHBondContact OE1-NH2 2.71Å; E510-R513 IonicContact OE2-CZ 2.67Å; E510-R513 VanDerWaalsContact OE2-CZ 3.27Å; E510-R513 IonicContact OE2-NE 2.73Å; E510-R513 PolarHBondContact OE2-NE 2.82Å; E510-R513 IonicContact OE2-NH2 3.57Å; E510-R513 PolarHBondContact OE2-NH2 2.9Å; L511-R513 VanDerWaalsContact C-N 3.33Å; L511-R513 PolarHBondContact O-N 2.98Å; R513-N516 PolarHBondContact O-N 3.5Å; R513-L517 PolarHBondContact O-N 3.31Å
514K87.1Confident76.7Confident103 Ų103105.8 Ų105.845%0.44852%0.521SS..Hα-helixtrans-63.5-43.1175-78.9166.5169144.30112.7E510 L511 N516 L517 A518E510-K514 HydrophobicContact CG-CD 4.29Å; E510-K514 WeakPolarHBondContact O-CB 3.18Å; E510-K514 WeakPolarHBondContact O-CG 3.46Å; E510-K514 PolarHBondContact O-N 3.33Å; E510-K514 WeakPolarHBondContact OE1-CE 3.38Å; E510-K514 IonicContact OE1-NZ 2.76Å; E510-K514 PolarHBondContact OE1-NZ 3.5Å; L511-K514 PolarHBondContact O-N 2.91Å; K514-N516 VanDerWaalsContact C-N 3.34Å; K514-N516 PolarHBondContact O-N 2.95Å; K514-L517 WeakPolarHBondContact O-CB 3.45Å; K514-L517 PolarHBondContact O-N 3.31Å; K514-A518 PolarHBondContact O-N 3.32Å
515Q82.9Confident76.4Confident117 Ų117104.5 Ų104.555%0.54752%0.517SS..Hα-helixtrans-61.6-42.6175.9-170.9-171.388.500111.5L511 L512 A518 R519L511-Q515 PolarHBondContact O-N 3.37Å; L512-Q515 PolarHBondContact O-N 2.82Å; Q515-A518 PolarHBondContact O-N 2.98Å; Q515-R519 WeakPolarHBondContact O-CG 3.14Å; Q515-R519 PolarHBondContact O-N 3.44Å; Q515-R519 VanDerWaalsContact O-N 3.16Å
516N77Confident75.8Confident67 Ų67104.1 Ų104.136%0.35852%0.52SS..Hα-helixtrans-69.2-31.4176.2-76.2-65.1000112.9L512 R513 K514 R519 L520L512-N516 PolarHBondContact O-N 3.03Å; L512-N516 PolarHBondContact O-ND2 3.31Å; R513-N516 PolarHBondContact O-N 3.5Å; K514-N516 VanDerWaalsContact C-N 3.34Å; K514-N516 PolarHBondContact O-N 2.95Å; N516-R519 PolarHBondContact O-N 2.97Å; N516-L520 WeakPolarHBondContact O-CG 3.16Å; N516-L520 PolarHBondContact O-N 3.32Å
517L77.4Confident74.9Confident84 Ų84106.9 Ų106.944%0.4453%0.526SS..Hα-helixtrans-62.8-51.3172.5-16378.9000111.3R513 K514 R519 L520 E521R513-L517 PolarHBondContact O-N 3.31Å; K514-L517 WeakPolarHBondContact O-CB 3.45Å; K514-L517 PolarHBondContact O-N 3.31Å; L517-R519 PolarHBondContact O-N 3.03Å; L517-L520 CarbonylContact O-C 3.6Å; L517-L520 WeakPolarHBondContact O-CA 3.37Å; L517-L520 WeakPolarHBondContact O-CB 3.48Å; L517-L520 PolarHBondContact O-N 2.94Å; L517-E521 PolarHBondContact O-N 3.26Å
518A69.1Low74.1Confident54 Ų54106.3 Ų106.345%0.44652%0.524SS..Hα-helixtrans-60.6-33.117900000112.9K514 Q515 L520 E521 L522K514-A518 PolarHBondContact O-N 3.32Å; Q515-A518 PolarHBondContact O-N 2.98Å; A518-L520 PolarHBondContact O-N 2.96Å; A518-E521 PolarHBondContact O-N 2.63Å; A518-L522 PolarHBondContact O-N 3.42Å
519R68.9Low73Confident170 Ų170106 Ų10664%0.64252%0.523SS*.Hα-helixtrans-69.9-15.8172.9-71.2-178.875-1535.5114.1Q515 N516 L517 P523Q515-R519 WeakPolarHBondContact O-CG 3.14Å; Q515-R519 PolarHBondContact O-N 3.44Å; Q515-R519 VanDerWaalsContact O-N 3.16Å; N516-R519 PolarHBondContact O-N 2.97Å; L517-R519 PolarHBondContact O-N 3.03Å; R519-P523 WeakPolarHBondContact O-CD 3.21Å; R519-P523 WeakPolarHBondContact O-CG 3.47Å
520L66.5Low72.4Confident127 Ų127107.5 Ų107.567%0.66553%0.527SS*.Hα-helixtrans-100.5-20176.1-67.6169.9000113N516 L517 A518N516-L520 WeakPolarHBondContact O-CG 3.16Å; N516-L520 PolarHBondContact O-N 3.32Å; L517-L520 CarbonylContact O-C 3.6Å; L517-L520 WeakPolarHBondContact O-CA 3.37Å; L517-L520 WeakPolarHBondContact O-CB 3.48Å; L517-L520 PolarHBondContact O-N 2.94Å; A518-L520 PolarHBondContact O-N 2.96Å
521E66.3Low71.3Confident104 Ų104111.3 Ų111.349%0.48655%0.545SS..Hα-helixtrans-74.6-45.3174-71166.7161.700111.6L517 A518 A524 D525L517-E521 PolarHBondContact O-N 3.26Å; A518-E521 PolarHBondContact O-N 2.63Å; E521-A524 WeakPolarHBondContact O-CA 3.4Å; E521-A524 WeakPolarHBondContact O-CB 3.3Å; E521-A524 PolarHBondContact O-N 3.36Å; E521-D525 PolarHBondContact O-N 3.3Å
522L61.9Low69.7Low130 Ų130112 Ų11268%0.68155%0.548SS*.Hα-helixtrans-55.9-41.6-179.6-148.682.2000114.2A518 L526A518-L522 PolarHBondContact O-N 3.42Å; L522-L526 PolarHBondContact O-N 3.47Å
523P62.8Low68.1Low62 Ų62113.9 Ų113.940%0.40356%0.555SS.*Hα-helixtrans-70.7-28.3172.8-19.734.3000114R519 L527R519-P523 WeakPolarHBondContact O-CD 3.21Å; R519-P523 WeakPolarHBondContact O-CG 3.47Å; P523-L527 WeakPolarHBondContact O-CG 3.33Å; P523-L527 PolarHBondContact O-N 3.32Å
524A59.6Low66.4Low50 Ų50111.7 Ų111.741%0.41356%0.561SS.*Hα-helixtrans-72.3-40.6-179.600000111.7E521 L527 R528E521-A524 WeakPolarHBondContact O-CA 3.4Å; E521-A524 WeakPolarHBondContact O-CB 3.3Å; E521-A524 PolarHBondContact O-N 3.36Å; A524-L527 PolarHBondContact O-N 2.88Å; A524-R528 PolarHBondContact O-N 2.98Å
525D62.8Low64.5Low100 Ų100110.3 Ų110.354%0.53557%0.569SS.*Hα-helixtrans-68.8-37.7173.4-78.6-36.7000112.1E521 L527 R528 Q529E521-D525 PolarHBondContact O-N 3.3Å; D525-L527 VanDerWaalsContact C-N 3.29Å; D525-L527 PolarHBondContact O-N 3Å; D525-R528 PolarHBondContact O-N 3.06Å; D525-Q529 VanDerWaalsContact O-CB 3.29Å; D525-Q529 WeakPolarHBondContact O-CB 3.38Å; D525-Q529 PolarHBondContact O-N 2.96Å
526L62.6Low62.5Low113 Ų113114.1 Ų114.159%0.59258%0.578SS**Hα-helixtrans-60.4-37.3170.7-86.4166.9000112.7L522 K530L522-L526 PolarHBondContact O-N 3.47Å; L526-K530 VanDerWaalsContact O-CB 3.32Å; L526-K530 WeakPolarHBondContact O-CB 3.4Å; L526-K530 PolarHBondContact O-N 2.79Å
527L62.2Low60.8Low114 Ų114116.5 Ų116.560%0.59760%0.597SS**Hα-helixtrans-69.3-45.1173.8-77167.1000111.9P523 A524 D525 Q529 K530 E531P523-L527 WeakPolarHBondContact O-CG 3.33Å; P523-L527 PolarHBondContact O-N 3.32Å; A524-L527 PolarHBondContact O-N 2.88Å; D525-L527 VanDerWaalsContact C-N 3.29Å; D525-L527 PolarHBondContact O-N 3Å; L527-Q529 VanDerWaalsContact C-N 3.33Å; L527-Q529 PolarHBondContact O-N 2.91Å; L527-K530 PolarHBondContact O-N 3Å; L527-E531 PolarHBondContact O-N 3.18Å
528R65.8Low58.9Low175 Ų175122 Ų12266%0.6662%0.621SS**Hα-helixtrans-59.8-41.2173.9-83.9-164.268.1-160.6-1.9112.7A524 D525 E531 L532A524-R528 PolarHBondContact O-N 2.98Å; D525-R528 PolarHBondContact O-N 3.06Å; R528-E531 PolarHBondContact O-N 2.98Å; R528-L532 WeakPolarHBondContact O-CB 3.25Å; R528-L532 PolarHBondContact O-N 2.85Å
529Q65Low57.1Low125 Ų125127.1 Ų127.158%0.58464%0.64SS**Hα-helixtrans-67.4-39.2179.2-173.1167.6-19.400110.9D525 L527 L532 E533D525-Q529 VanDerWaalsContact O-CB 3.29Å; D525-Q529 WeakPolarHBondContact O-CB 3.38Å; D525-Q529 PolarHBondContact O-N 2.96Å; L527-Q529 VanDerWaalsContact C-N 3.33Å; L527-Q529 PolarHBondContact O-N 2.91Å; Q529-L532 PolarHBondContact O-N 3.37Å; Q529-E533 PolarHBondContact O-N 3.2Å
530K70.3Confident55.2Low149 Ų149127.2 Ų127.265%0.64865%0.652SS**Hα-helixtrans-67-38.5173.4-172.3172.4-177175.20113L526 L527 S534L526-K530 VanDerWaalsContact O-CB 3.32Å; L526-K530 WeakPolarHBondContact O-CB 3.4Å; L526-K530 PolarHBondContact O-N 2.79Å; L527-K530 PolarHBondContact O-N 3Å; K530-S534 WeakPolarHBondContact O-CB 3.36Å; K530-S534 PolarHBondContact O-N 2.88Å; K530-S534 PolarHBondContact O-OG 2.71Å
531E64.4Low53.6Low137 Ų137125.4 Ų125.464%0.6466%0.656SS**Hα-helixtrans-62-44.1170.5-76.7-168.2141.400110.9L527 R528 E533 S534 A535L527-E531 PolarHBondContact O-N 3.18Å; R528-E531 PolarHBondContact O-N 2.98Å; E531-E533 PolarHBondContact O-N 2.77Å; E531-S534 WeakPolarHBondContact CA-OG 3.33Å; E531-S534 CarbonylContact O-C 3.6Å; E531-S534 PolarHBondContact O-N 2.9Å; E531-S534 VanDerWaalsContact O-N 3.11Å; E531-S534 PolarHBondContact O-OG 3.02Å; E531-A535 WeakPolarHBondContact O-CB 3.46Å; E531-A535 PolarHBondContact O-N 2.79Å
532L57.8Low52.1Low132 Ų132126.5 Ų126.569%0.69167%0.672SS**Hα-helixtrans-65-35.8179.8-160.673.8000113R528 Q529R528-L532 WeakPolarHBondContact O-CB 3.25Å; R528-L532 PolarHBondContact O-N 2.85Å; Q529-L532 PolarHBondContact O-N 3.37Å
533E53.4Low50.7Low136 Ų136128.9 Ų128.964%0.63668%0.68SS**Hα-helixtrans-68.5-40.3169.4-76.6-166.4118.800112.3Q529 E531 A535 R536Q529-E533 PolarHBondContact O-N 3.2Å; E531-E533 PolarHBondContact O-N 2.77Å; E533-A535 VanDerWaalsContact C-N 3.29Å; E533-A535 PolarHBondContact O-N 2.69Å; E533-R536 WeakPolarHBondContact O-CB 3.4Å; E533-R536 PolarHBondContact O-N 2.85Å
534S50.2Low49Very low97 Ų97132.7 Ų132.768%0.67870%0.702SS**Hα-helixtrans-68.3-26.5178.577.30000113.7K530 E531 R536K530-S534 WeakPolarHBondContact O-CB 3.36Å; K530-S534 PolarHBondContact O-N 2.88Å; K530-S534 PolarHBondContact O-OG 2.71Å; E531-S534 WeakPolarHBondContact CA-OG 3.33Å; E531-S534 CarbonylContact O-C 3.6Å; E531-S534 PolarHBondContact O-N 2.9Å; E531-S534 VanDerWaalsContact O-N 3.11Å; E531-S534 PolarHBondContact O-OG 3.02Å; S534-R536 PolarHBondContact O-N 2.83Å
535A47.3Very low47.5Very low74 Ų74134.2 Ų134.261%0.61272%0.715SS**THydrogen-bonded Turntrans-81.85.6179.700000113.8E531 E533 P537E531-A535 WeakPolarHBondContact O-CB 3.46Å; E531-A535 PolarHBondContact O-N 2.79Å; E533-A535 VanDerWaalsContact C-N 3.29Å; E533-A535 PolarHBondContact O-N 2.69Å; A535-P537 WeakPolarHBondContact O-CD 3Å
536R40.6Very low45.7Very low196 Ų196137.8 Ų137.874%0.7473%0.733SS**SBendtrans-90.9108.2-175.7-162.6174.7-173.1177.21.9110.7E533 S534 Q538E533-R536 WeakPolarHBondContact O-CB 3.4Å; E533-R536 PolarHBondContact O-N 2.85Å; S534-R536 PolarHBondContact O-N 2.83Å; R536-Q538 PolarHBondContact O-N 3.25Å
537P41.2Very low44.1Very low117 Ų117143 Ų14376%0.7675%0.745SS**  trans-69.9121-172-19.133.4000112.3A535 L539A535-P537 WeakPolarHBondContact O-CD 3Å; P537-L539 PolarHBondContact O-N 3.01Å; P537-L539 VanDerWaalsContact O-N 3.14Å
538Q37.8Very low43.2Very low201 Ų201142.5 Ų142.594%0.93975%0.748SS**  trans-81.386.4169.9-68.2-172.16.400110.3R536R536-Q538 PolarHBondContact O-N 3.25Å
539L32.2Very low41.3Very low160 Ų160140.2 Ų140.284%0.83875%0.749SS**  trans-86.3106.9162.5-92.3170.3000109.5P537P537-L539 PolarHBondContact O-N 3.01Å; P537-L539 VanDerWaalsContact O-N 3.14Å
540L29.5Very low39.5Very low172 Ų172140.8 Ų140.890%0.90176%0.756SS**  trans-173.2102.2145.3-106.4167.6000111.3
541A31.4Very low37.5Very low90 Ų90136.9 Ų136.974%0.74476%0.758SS**  trans-144.7125159.100000107.6
542P35.6Very low35.8Very low127 Ų127134.4 Ų134.483%0.82576%0.761SS**  trans-85.6139.2-178.832.4-32.8000112
543E32.4Very low34.5Very low180 Ų180136.8 Ų136.884%0.84177%0.768SS**  trans-97.5144.4173.3-70.4-146.114200113.3
544T25.9Very low33.5Very low141 Ų141136.9 Ų136.987%0.86577%0.769SS**  trans-162.595.3151.82.20000107
545A28.6Very low32.9Very low83 Ų83138.2 Ų138.269%0.68677%0.768SS**  75.1120.560.800000114.6
546L25.1Very low32.2Very low174 Ų174140.8 Ų140.891%0.91177%0.767SS**  trans-159.7159.7148.8-108.3174.7000112
547R30.1Very low31.8Very low224 Ų224140 Ų14085%0.84576%0.764SS**  trans-135.8-168.5-172.6-92.8-75142.4139.3-6107.8
548P43.7Very low31.7Very low103 Ų103144.4 Ų144.467%0.66977%0.766SS**  cis-119-140.66.338.9-17000111.4
549N25.3Very low31.2Very low127 Ų127138.6 Ų138.668%0.67976%0.759SS**  cis-149.1-169.62.4-132.911.4000108.2
550D27.7Very low31.2Very low137 Ų137135.1 Ų135.173%0.73375%0.754SS**  cis-152159.87.5-140.1-38.7000112.5
551G26.9Very low31.1Very low66 Ų66134 Ų13468%0.6875%0.748SS**  trans73.4151.8160.700000120
552A29.5Very low31.1Very low86 Ų86136.9 Ų136.971%0.71175%0.75SS**  cis-165.8161.3-14.600000111.4
553E31Very low30.7Very low181 Ų181136 Ų13685%0.84674%0.742SS**  trans62.8149.4158.4-71.5178.2119.100119.6
554E31.3Very low30.4Very low139 Ų139134.5 Ų134.565%0.6574%0.739SS**  cis-160.5106.6-17.4177.469.2-178.800106.4
555L37.8Very low30.4Very low124 Ų124132.8 Ų132.865%0.64973%0.725SS**  80.2136.886.3-149.480.2000116.4
556Q32.2Very low30.5Very low129 Ų129137.2 Ų137.260%0.60373%0.731SS**  131.2139.2116.6-157.346.9-77.100117.8
557R33.6Very low30.8Very low179 Ų179132.5 Ų132.568%0.67572%0.724SS**  trans80.1134.2170.1-47-159.2-165.9-71.62117.7
558R37.3Very low30.8Very low210 Ų210126.2 Ų126.279%0.79272%0.72SS**  cis-162.1125.4-5.9-123.2176-178.1164.7-1.8113
559G28.5Very low30Very low78 Ų78125.6 Ų125.680%0.80472%0.724SS**  trans70.1164.9140.800000119.7
560A31.3Very low31.1Very low87 Ų87124.7 Ų124.772%0.71973%0.725SS**  cis-163.9178.7-13.500000110.2
561L28.7Very low31.1Very low148 Ų148125 Ų12578%0.77573%0.726SS**  trans76.5120.6177.7-77.875.2000114.9
562L31.2Very low31.1Very low152 Ų152128 Ų12880%0.79673%0.726SS**  70.8137.978.8-63.4-173.6000111.1
563V26.6Very low30.9Very low107 Ų107128.7 Ų128.765%0.64873%0.731SS**  cis-166.4155.79.398.10000112
564L26.3Very low30.7Very low150 Ų150126.8 Ų126.879%0.78573%0.726SS**  trans48.8167.8158.2-61.8171.9000120.5
565N24.9Very low31.4Very low105 Ų105125.6 Ų125.656%0.56173%0.73SS**  cis-176.5135.7-43.6-155.711.6000108
566H31.1Very low31.9Very low176 Ų176124 Ų12482%0.81573%0.727SS**  trans59.2162.7170.7-45-43.6000116.3
567G31.3Very low31.8Very low75 Ų75126.6 Ų126.677%0.77374%0.739SS**  cis-164.3-174.4-9.800000106.6
568A30Very low31.4Very low92 Ų92121.1 Ų121.176%0.7674%0.739SS**  cis-153.7164.4-8.100000105.3
569A27.6Very low31.8Very low90 Ų90117.3 Ų117.374%0.74474%0.741SS**  cis63.8154.635.800000113.2
570P49.2Very low32.8Very low107 Ų107119.7 Ų119.770%0.69574%0.743SS**  cis-142.5173-7.543.8-26.3000116.3
571L26.5Very low32.6Very low145 Ų145119.2 Ų119.276%0.75975%0.746SS**  trans48.4138.7131.9-67.6169.7000125.3
572L26.6Very low32.8Very low129 Ų129118 Ų11868%0.67575%0.75SS**  trans74137.8131.2-71.1167.8000123.7L574L572-L574 HydrophobicContact CD2-CD1 4.14Å; L572-L574 HydrophobicContact CD2-CG 4.02Å
573A25.3Very low32.7Very low99 Ų99114.4 Ų114.482%0.81875%0.749SS**  -140.1141.7123.100000110.8
574L26.3Very low33.8Very low142 Ų142115.3 Ų115.374%0.74376%0.757SS**  trans-111.9-157166.8-66.3157.8000106.5L572L572-L574 HydrophobicContact CD2-CD1 4.14Å; L572-L574 HydrophobicContact CD2-CG 4.02Å
575P47.2Very low34.7Very low113 Ų113113.2 Ų113.273%0.73475%0.753SS**  cis-131.3-138.4-14.840-17.4000109.2
576P47.3Very low35.1Very low91 Ų91114.4 Ų114.459%0.59176%0.764SS**  cis-132.4-174.7-25.729-6.3000115.4
577Q31Very low35.7Very low183 Ų183111 Ų11186%0.85576%0.757SS**  trans104.6139152.5-49.3-560.900120.8
578G25.5Very low35.6Very low65 Ų65112.4 Ų112.467%0.6776%0.755SS**  trans-120.9-135.8169.700000110.8
579P45.9Very low35.4Very low129 Ų129119.8 Ų119.884%0.83876%0.763SS**  cis-128.4-118.64.827.9-0.2000114.7
580P48.7Very low35.4Very low129 Ų129122 Ų12284%0.83876%0.763SS**  -134.2174.9-117.843.5-25000118.6
581G28.5Very low34.6Very low77 Ų77122.3 Ų122.379%0.79477%0.768SS**  trans130.1141.8162.300000113.7
582S32.6Very low34.7Very low123 Ų123120.5 Ų120.586%0.8677%0.773SS**  cis-147.9159.6-7.150.70000110.1
583G29.4Very low34.9Very low75 Ų75125.5 Ų125.577%0.77378%0.783SS**  trans-90.7-157.4-174.200000115.1
584P47.7Very low34.9Very low126 Ų126132.8 Ų132.882%0.81879%0.79SS**  cis-128.6-177.35.142.5-26.8000115.2
585P46.8Very low35.2Very low106 Ų106130.2 Ų130.269%0.68879%0.789SS**  trans-124.7-170.4-17430.9-9.4000115.4
586T32.1Very low35.2Very low131 Ų131130.3 Ų130.380%0.80479%0.79SS**  trans83.6168.3160.1760000118.8
587P45.2Very low34.5Very low103 Ų103137.3 Ų137.367%0.66980%0.804SS**  -142.5173.9-61.242.7-26.9000116.4
588S27.8Very low34.5Very low105 Ų105138.7 Ų138.773%0.73481%0.807SS**  trans33.6138.6141.967.20000123.2
589R27Very low34.5Very low247 Ų247139.4 Ų139.493%0.93281%0.814SS**  -155148.9127.8-146.1171.8178.5177.5-0.3115.7
590D26.2Very low33.5Very low137 Ų137136.8 Ų136.873%0.73381%0.811SS**  trans-76.4155178.5-81.5-84.7000117.6
591S32.9Very low33.6Very low114 Ų114137.1 Ų137.180%0.79781%0.813SS**  trans44.6114.8135.6-620000121.1
592A28.3Very low33.6Very low106 Ų106136.8 Ų136.888%0.87681%0.81SS**  trans-142.1139153.500000112.1
593R30.7Very low34.4Very low235 Ų235137.1 Ų137.189%0.88781%0.809SS**  trans-108.9147.2171.5-41.7176.3-160.4-159.52.4109.5
594R26.4Very low34.1Very low252 Ų252137.9 Ų137.995%0.95181%0.808SS**  trans-172.9154.3134-111.2164.8-113-117.43.5115.1
595A31.7Very low33.1Very low88 Ų88137.8 Ų137.873%0.72781%0.811SS**  trans-103.8-164.7160.400000107.5
596P48.1Very low32.1Very low115 Ų115137.1 Ų137.175%0.74781%0.814SS**  cis-145.7-174.31443.8-22.4000118
597R32.1Very low32.2Very low237 Ų237142.4 Ų142.489%0.89482%0.819SS**  trans-2.7147.6152.6-54.7175.9168.6-159.1-5118
598K31.5Very low32.1Very low213 Ų213143.3 Ų143.393%0.92683%0.825SS**  169.6145.570.7-178.4-176.8179.8-172.30111.5
599G24.8Very low32Very low79 Ų79142.6 Ų142.681%0.81482%0.82SS**  trans134.1135.9153.900000118.5
600G25.4Very low31.8Very low75 Ų75139.5 Ų139.577%0.77382%0.816SS**  trans-144-156.8161.400000107.6
601P50.9Low31.9Very low135 Ų135138.4 Ų138.488%0.87782%0.82SS**  cis-114.4165.9-3.941.4-28.8000112.7
602G28.2Very low31.5Very low71 Ų71141.1 Ų141.173%0.73282%0.817SS**  108.5172.16800000110.4
603P49.2Very low31.3Very low129 Ų129142.9 Ų142.984%0.83881%0.807SS**  cis-134.2-158.1-11.743.6-24.9000114.3
604A23.7Very low30.9Very low92 Ų92138.5 Ų138.576%0.7680%0.798SS**  trans76.5127.1177.100000116.7
605S25.7Very low30.7Very low124 Ų124132.4 Ų132.487%0.86779%0.789SS**  cis92.9129.736-163.20000112
606A26.3Very low30.4Very low92 Ų92131.9 Ų131.976%0.7679%0.792SS**  cis-147.4-175.19.100000113.1
607R33.9Very low29.3Very low242 Ų242131.7 Ų131.791%0.91380%0.8SS**  trans-105.7149.3155.7-81.8-173.4168.7-164.7-3.5108.6
608P42.2Very low29.1Very low121 Ų121131.8 Ų131.879%0.78680%0.801SS**  -155.7-162.594.341.5-21.1000115.6
609S25.9Very low28.8Very low91 Ų91128.5 Ų128.564%0.63679%0.792SS**  trans69.8105.8148.861.10000122.9
610E24.3Very low29.1Very low182 Ų182135.4 Ų135.485%0.8579%0.794SS**  68133.3117-65.4-173.9102.800124.7
611S26.6Very low29.2Very low114 Ų114135.4 Ų135.480%0.79779%0.787SS**  trans94.8135.4135.980.80000121.9
612K25Very low28.2Very low171 Ų171137.6 Ų137.674%0.74379%0.786SS**  trans62.6101.5132.1-160168.8-172.5-179.70121.2
613E24.3Very low28.1Very low142 Ų142141.6 Ų141.666%0.66479%0.79SS**  60.1139.8117-146-167.3136.600121.7
614M23.6Very low27.1Very low144 Ų144138.4 Ų138.471%0.70978%0.78SS**  trans80.7111.2150.9-149.359.672.700120.5
615T22Very low27.3Very low124 Ų124139.1 Ų139.176%0.76178%0.78SS**  trans59.8104.5141.5-57.40000121.5
616G25.3Very low27.4Very low76 Ų76141.7 Ų141.778%0.78478%0.778SS**  92137.3101.300000120.5
617A25Very low27.5Very low111 Ų111145.1 Ų145.192%0.91778%0.784SS**  trans-155.5139.4151.300000109.4
618R28Very low27.3Very low240 Ų240141.4 Ų141.491%0.90678%0.777SS**  trans-137.4122.8-176.2174.9-168.9-179.6-1652.2109.7
619L25.3Very low27.8Very low144 Ų144140.1 Ų140.175%0.75477%0.769SS**  trans-154.1135.7174.6-71.2-177.9000107.3
620W29.5Very low29Very low223 Ų223140.9 Ų140.985%0.84577%0.771SS**  cis-145.7156.74.4-96.3104.2000110.4
621A29.3Very low29.7Very low76 Ų76140.9 Ų140.963%0.62877%0.769SS**  trans58.4150.7151.600000120
622Q29.2Very low29.8Very low181 Ų181143.3 Ų143.385%0.84677%0.772SS**  cis-167.3157.5-11.4-107.1175.783.600105.4
623D26.4Very low30.5Very low154 Ų154139 Ų13982%0.82476%0.764SS**  cis-162.6167.6-12.2-167.117.9000109.5
624G27Very low31Very low62 Ų62139.7 Ų139.764%0.63977%0.772SS**  trans84113.2172.900000115.3
625S28.1Very low31.2Very low107 Ų107136.6 Ų136.675%0.74878%0.777SS**  74.992.459.6-162.40000111.9
626E28.1Very low31.7Very low179 Ų179140.4 Ų140.484%0.83679%0.786SS**  90.4114.263.4-77.4177.2138.100113.7
627D28.4Very low31.9Very low163 Ų163144.1 Ų144.187%0.87279%0.788SS**  trans-168.5148.2136.3-133.8-51.5000112.8
628E30.9Very low33.2Very low165 Ų165143.5 Ų143.577%0.77178%0.775SS**  trans-170.4127.8176.8-146.7-92.8138.100105.7
629P50.9Low33.4Very low94 Ų94140 Ų14061%0.6177%0.769SS**  -154.7-126.872.139.6-14.7000111.5
630P52.2Low33.5Very low107 Ų107139.7 Ų139.770%0.69577%0.773SS**  -106.9165.8-5123.5-2.5000111.7
631K37.7Very low33.5Very low182 Ų182133.6 Ų133.679%0.79177%0.77SS**  74.1103.751.4-166-156.6177.7-168.50116.4
632D29Very low33.5Very low164 Ų164134.2 Ų134.288%0.87778%0.775SS**  trans-154.1141.4150.7-83.7-41.8000106.7
633S40.1Very low33.5Very low80 Ų80132.9 Ų132.956%0.55978%0.779SS**  cis104.990.719.7-92.20000117.5
634D33.9Very low33.5Very low158 Ų158128.7 Ų128.785%0.84577%0.772SS**  63.1130129.6-45.7-57.3000122.5
635G29.8Very low33.5Very low79 Ų79131.3 Ų131.381%0.81478%0.779SS**  trans175140.8168.900000113.1
636E30.6Very low33.3Very low204 Ų204138.3 Ų138.395%0.95379%0.789SS**  trans-118176.6-166.3-68.2-177.990.700115.7
637D29.8Very low32.9Very low154 Ų154132.8 Ų132.882%0.82478%0.781SS**  trans-63.3-169.6177.8-131.1-4000113.8
638P52.6Low33.4Very low98 Ų98130.5 Ų130.564%0.63678%0.775SS**  cis-143.2177.3-2.638.9-17.1000119.6
639E31.5Very low33.1Very low167 Ų167128.8 Ų128.878%0.7878%0.776SS**  trans57.5136.1144.7-84-16280.700124.4
640T28.2Very low32.6Very low137 Ų137130.4 Ų130.484%0.8479%0.786SS**  179.5162.6102.429.80000116.6
641A30.1Very low31.3Very low95 Ų95129 Ų12979%0.78579%0.791SS**  trans-47.4173.5171.400000119.3
642A29.5Very low30.8Very low89 Ų89129.3 Ų129.374%0.73680%0.795SS**  cis-177.5-164.3-18.100000111.1
643V28.3Very low30.7Very low153 Ų153125.7 Ų125.793%0.92779%0.788SS**  trans79.4143.9168.7-170.70000115.5
644G26.2Very low31Very low65 Ų65127.6 Ų127.667%0.6780%0.799SS**  cis-169.8-171.70.700000112.9
645C26.6Very low30.7Very low118 Ų118125.3 Ų125.380%0.79780%0.802SS**  trans-124147.1-161.2-50.90000117.3
646R23.9Very low30.6Very low253 Ų253125.4 Ų125.496%0.95580%0.803SS**  trans-172.8160.3148.6-109.9174.2-172.5-105.52112.7
647G20Very low30.4Very low64 Ų64119.7 Ų119.766%0.6680%0.799SS**  trans-126-155.8163.900000110.3
648P40.2Very low30.4Very low114 Ų114117.8 Ų117.874%0.7481%0.805SS**  cis-134.5174.5-6.342.7-26.4000115.4
649T24.2Very low29.1Very low130 Ų130116.6 Ų116.680%0.79881%0.81SS**  trans38.8161.7149.146.50000123.8
650P40.4Very low29.1Very low128 Ų128113.2 Ų113.283%0.83181%0.81SS**  cis-134.5-177.6-12.338.9-20.1000115.9
651G25.5Very low29Very low77 Ų77114.4 Ų114.479%0.79481%0.806SS**  trans112.8157.8159.700000116.9
652Q27.3Very low29Very low188 Ų188112.6 Ų112.688%0.87980%0.797SS**  cis-166.6123.8-12.7-175.9-179.723.700112.3
653A26Very low29.1Very low88 Ų88117.4 Ų117.473%0.72780%0.801SS**  trans62.1179.6153.800000119.8
654P46.8Very low29Very low120 Ų120113.2 Ų113.278%0.77979%0.79SS**  -136176.5-61.339.5-25.5000115.4
655A27.3Very low29Very low110 Ų110118.4 Ų118.491%0.90980%0.801SS**  trans64.7162.2159.800000117.5
656G27Very low28.9Very low81 Ų81122.2 Ų122.284%0.83580%0.804SS**  cis152.1147.1-6.800000111.7
657G27.5Very low29.7Very low85 Ų85115.1 Ų115.188%0.87679%0.791SS**  trans119.5149178.200000114.3
658A28.9Very low30Very low114 Ų114115.3 Ų115.394%0.94279%0.793SS**  trans-147.6165.2-174.100000112
659G25.7Very low29.5Very low73 Ų73113.6 Ų113.675%0.75378%0.784SS**  trans132.8144155.100000117.4
660A31.8Very low29.7Very low95 Ų95114.4 Ų114.479%0.78579%0.789SS**  trans61.1129.8165.700000117.4
661E25Very low29.1Very low162 Ų162116.1 Ų116.176%0.75779%0.79SS**  56.8132.960.2-73.2-157.376.600114.4K663E661-K663 IonicContact OE1-NZ 3.19Å; E661-K663 PolarHBondContact OE1-NZ 3.32Å
662G30.3Very low29.5Very low57 Ų57117.3 Ų117.359%0.58878%0.784SS**  cis154.9170.6-3.600000112.2
663K32.6Very low29.8Very low190 Ų190116.2 Ų116.283%0.82678%0.783SS**  trans68.3142177.1-52.4125.9177.3154.50114.5E661E661-K663 IonicContact OE1-NZ 3.19Å; E661-K663 PolarHBondContact OE1-NZ 3.32Å
664G25.2Very low29.9Very low66 Ų66114.6 Ų114.668%0.6878%0.775SS**  cis140.5150.7-8.200000112.5
665L26.7Very low29Very low173 Ų173118.8 Ų118.891%0.90678%0.781SS**  trans170.2159.3141.6-91.2165.5000112
666F25.3Very low29.4Very low198 Ų198117.9 Ų117.987%0.86877%0.766SS**  trans-123.1-157.9-172.4-64-90000108.6
667P40.4Very low29.4Very low105 Ų105124.6 Ų124.668%0.68277%0.768SS**  cis-142.4173.2-5.642.4-23.8000118.3
668G25.8Very low29.5Very low68 Ų68124.2 Ų124.270%0.70176%0.757SS**  trans108.9146.1144.300000117
669S29.5Very low29.6Very low78 Ų78124.8 Ų124.855%0.54575%0.748SS.*  cis-162.6122.6-10.3-83.60000110.8
670T28.6Very low29.6Very low146 Ų146127 Ų12790%0.89675%0.752SS**  trans-178.7155.6140.419.80000111.4
671L27.6Very low29.9Very low165 Ų165127 Ų12786%0.86474%0.744SS**  trans-127.5173178.5-73.6175000108
672P34.5Very low30.3Very low101 Ų101129.1 Ų129.166%0.65675%0.746SS**  cis-132.9-178.58.143.5-27.8000115.2
673L33.6Very low30.1Very low165 Ų165135.5 Ų135.586%0.86476%0.758SS**  trans58.5113.3163.7-62.7161.5000116.3
674G27.3Very low30.4Very low54 Ų54134.8 Ų134.856%0.55776%0.757SS**  cis87.2109.79.600000112.4
675F28.3Very low30.7Very low208 Ų208138.5 Ų138.591%0.91277%0.767SS**  cis-144.8156.5-1.6-115.6-90.9000111.9
676P35.3Very low30.9Very low92 Ų92133.9 Ų133.960%0.59776%0.761SS**  trans-112.9-167.7-175.323.8-0.6000113
677Y27.3Very low31.1Very low221 Ų221129 Ų12987%0.86776%0.757SS**  trans71.8153.1170-75.5-83.2000116.3
678A29.6Very low30.7Very low78 Ų78130.1 Ų130.165%0.64576%0.762SS**  cis-146.5157.9-0.100000113.1
679V30.3Very low30.9Very low125 Ų125131 Ų13176%0.75877%0.772SS**  30.9119.4129.5-177.30000118.9
680S25.8Very low30.7Very low120 Ų120130.9 Ų130.984%0.83978%0.783SS**  trans-155100.4141-166.30000111.7
681P38.7Very low31.1Very low94 Ų94132.9 Ų132.961%0.6179%0.787SS**  trans-87.3168.6171.435.9-34.8000112.2
682Y34.3Very low31Very low207 Ų207130.4 Ų130.481%0.81278%0.783SS**  trans-54.3148.5178.2-73.5-100.8000114.5
683F26.6Very low31.4Very low192 Ų192133.5 Ų133.584%0.84279%0.791SS**  trans-134.3130.9141.8-85.8-76.4000111.5
684H37.4Very low31.1Very low174 Ų174133.3 Ų133.381%0.80679%0.791SS**  trans-104.3141.8151.5-81-76.8000107.5
685T31.1Very low31.9Very low144 Ų144134 Ų13488%0.88380%0.798SS**  trans-152.3140.1156.58.40000109.4
686G31.8Very low32.2Very low76 Ų76132.5 Ų132.578%0.78479%0.794SS**  trans-156.9135.1177.400000110.9
687A29Very low32Very low95 Ų95136.2 Ų136.279%0.78580%0.803SS**  trans-173.4141.6-17900000107.2
688V33.3Very low32.4Very low130 Ų130129.8 Ų129.879%0.78880%0.796SS**  cis-144.6162.1-12-95.60000107.5
689G28.4Very low32.6Very low87 Ų87130.3 Ų130.390%0.89779%0.792SS**  trans-70.4146.2-172.900000115.4
690G25.3Very low33Very low75 Ų75127.7 Ų127.777%0.77378%0.784SS**  trans-139.3143.6166.300000109.6
691L37.9Very low34.3Very low188 Ų188127.5 Ų127.598%0.98478%0.78SS**  trans-79.8122.3-173.7-66.3167.5000111.7
692S26.1Very low35.1Very low113 Ų113128.3 Ų128.379%0.7978%0.776SS**  trans-148.8152.7150.5-162.70000110.4
693M42.7Very low37.1Very low166 Ų166122.7 Ų122.782%0.81876%0.76SS**  trans-96.8118.6165.9-73.5-104.564.300108.3
694D27.3Very low39.8Very low161 Ų161113.9 Ų113.986%0.86172%0.721SS**  trans-164.5153.6148.3-103.7-54.7000105.9
695G43.2Very low42Very low68 Ų68108.9 Ų108.970%0.70170%0.703SS**  cis138.7-12.814.500000111.7
696E35.9Very low44.7Very low177 Ų177109.1 Ų109.183%0.82769%0.692SS**  trans-100.3109.7179.8-157.4-177.9119.400111.7A698E696-A698 PolarHBondContact O-N 2.83Å
697E31.2Very low47.5Very low169 Ų169106.4 Ų106.479%0.7966%0.658SS**PPolyproline II helixtrans-71.7118.6163.6179.7164.7110.300108.4P699E697-P699 WeakPolarHBondContact O-CD 3.45Å
698A34.2Very low50.5Low87 Ų87105.5 Ų105.572%0.71964%0.643SS**PPolyproline II helixtrans-54.7117.8176.200000108.8E696 A700E696-A698 PolarHBondContact O-N 2.83Å; A698-A700 PolarHBondContact O-N 3.41Å
699P33.4Very low53.4Low88 Ų88101 Ų10157%0.57162%0.616SS**PPolyproline II helixtrans-60136.6-154.815.8-30.3000112.2E697E697-P699 WeakPolarHBondContact O-CD 3.45Å
700A39Very low56.5Low70 Ų70100.7 Ų100.758%0.57959%0.594SS**PPolyproline II helixtrans-48.3144.9163.400000109A698 E702A698-A700 PolarHBondContact O-N 3.41Å; A700-E702 PolarHBondContact O-N 2.88Å
701P52.8Low59.7Low117 Ų117100.5 Ų100.576%0.7658%0.575SS**  trans-59.3102.5-174.125.3-34.7000109.6D703P701-D703 PolarHBondContact O-N 3.23Å
702E57.3Low62.3Low111 Ų11191.6 Ų91.652%0.51953%0.528SS..  trans-57135.5-171.8-62.5172.3150.400110A700 V704 W707A700-E702 PolarHBondContact O-N 2.88Å; E702-V704 PolarHBondContact O-N 3.29Å; E702-W707 PolarHBondContact OE2-NE1 3.37Å
703D74.7Confident65.5Low89 Ų8986.5 Ų86.548%0.47649%0.492SS..  trans-57.7115.6174.9-54.1-70.9000107.7P701 T705 K706P701-D703 PolarHBondContact O-N 3.23Å; D703-T705 PolarHBondContact O-N 3.1Å; D703-K706 HydrophobicContact CB-CD 4.07Å; D703-K706 HydrophobicContact CB-CG 4.29Å; D703-K706 WeakPolarHBondContact O-CB 3.35Å; D703-K706 PolarHBondContact O-N 2.96Å; D703-K706 WeakPolarHBondContact OD2-CE 3.24Å; D703-K706 IonicContact OD2-NZ 2.67Å; D703-K706 PolarHBondContact OD2-NZ 3.14Å
704V83.8Confident67.8Low6 Ų682.5 Ų82.54%0.03648%0.481CS..G310 helixtrans-54.5-28.6-173.3175.60000111.5E702 K706 W707 G736 L739 P740 R768 L769E702-V704 PolarHBondContact O-N 3.29Å; V704-K706 PolarHBondContact O-N 2.95Å; V704-W707 HydrophobicContact CG1-CD2 4.25Å; V704-W707 HydrophobicContact CG1-CE3 3.82Å; V704-W707 HydrophobicContact CG1-CZ3 4.15Å; V704-W707 WeakPolarHBondContact O-CB 3.41Å; V704-W707 PolarHBondContact O-N 2.98Å; V704-G736 CarbonylContact C-O 3.54Å; V704-G736 CarbonylContact O-C 3.56Å; V704-G736 WeakPolarHBondContact O-CA 3.49Å; V704-L739 HydrophobicContact CG1-CD2 4.21Å; V704-P740 HydrophobicContact CG1-CG 4.41Å; V704-R768 HydrophobicContact CG2-CB 3.69Å; V704-L769 HydrophobicContact CB-CD2 3.77Å; V704-L769 HydrophobicContact CB-CG 4.42Å; V704-L769 HydrophobicContact CG1-CD2 4.35Å; V704-L769 HydrophobicContact CG2-CD2 4.05Å; V704-L769 HydrophobicContact CG2-CG 4.3Å
705T83.8Confident70.9Confident70 Ų7075.8 Ų75.843%0.42944%0.444SS..G310 helixtrans-60.8-17.1174.457.30000114.8D703 G736 E737D703-T705 PolarHBondContact O-N 3.1Å; T705-G736 WeakPolarHBondContact CA-O 3.32Å; T705-E737 VanDerWaalsContact O-CG 3.31Å; T705-E737 WeakPolarHBondContact O-CG 3.42Å
706K87Confident73.2Confident149 Ų14972.6 Ų72.665%0.64841%0.411SS*.G310 helixtrans-90.6-7178.5-65.8171.4178.31630113.6D703 V704D703-K706 HydrophobicContact CB-CD 4.07Å; D703-K706 HydrophobicContact CB-CG 4.29Å; D703-K706 WeakPolarHBondContact O-CB 3.35Å; D703-K706 PolarHBondContact O-N 2.96Å; D703-K706 WeakPolarHBondContact OD2-CE 3.24Å; D703-K706 IonicContact OD2-NZ 2.67Å; D703-K706 PolarHBondContact OD2-NZ 3.14Å; V704-K706 PolarHBondContact O-N 2.95Å
707W92.4Very high75.8Confident19 Ų1966 Ų667%0.07239%0.391CS..  trans-71134.5-176.2-71.6-6.7000112.3E702 V704 D711 V712 F715 G736 L739E702-W707 PolarHBondContact OE2-NE1 3.37Å; V704-W707 HydrophobicContact CG1-CD2 4.25Å; V704-W707 HydrophobicContact CG1-CE3 3.82Å; V704-W707 HydrophobicContact CG1-CZ3 4.15Å; V704-W707 WeakPolarHBondContact O-CB 3.41Å; V704-W707 PolarHBondContact O-N 2.98Å; W707-D711 HydrophobicContact CB-CB 3.91Å; W707-D711 HydrophobicContact CG-CB 4.1Å; W707-V712 HydrophobicContact CB-CG2 4.15Å; W707-V712 HydrophobicContact CE3-CG2 4.27Å; W707-F715 HydrophobicContact CH2-CB 4.03Å; W707-F715 HydrophobicContact CH2-CD1 4.24Å; W707-F715 AromaticContact CH2-CD2 3.68Å; W707-F715 HydrophobicContact CH2-CD2 3.68Å; W707-F715 HydrophobicContact CH2-CE2 4.16Å; W707-F715 AromaticContact CH2-CG 3.71Å; W707-F715 HydrophobicContact CH2-CG 3.71Å; W707-F715 HydrophobicContact CZ3-CB 3.84Å; W707-F715 AromaticContact CZ3-CD1 3.67Å; W707-F715 HydrophobicContact CZ3-CD1 3.67Å; W707-F715 AromaticContact CZ3-CD2 3.98Å; W707-F715 HydrophobicContact CZ3-CD2 3.98Å; W707-F715 HydrophobicContact CZ3-CE1 4.19Å; W707-F715 HydrophobicContact CZ3-CE2 4.46Å; W707-F715 AromaticContact CZ3-CG 3.54Å; W707-F715 HydrophobicContact CZ3-CG 3.54Å; W707-G736 WeakPolarHBondContact O-CA 3.45Å; W707-G736 PolarHBondContact O-N 3.21Å; W707-L739 HydrophobicContact CE3-CD2 4.03Å; W707-L739 HydrophobicContact CZ3-CD2 4.03Å
708T91.6Very high78.6Confident75 Ų7561.3 Ų61.346%0.4639%0.388SS..  trans-76.7168.6169.171.30000111D710 D711 V712T708-D710 PolarHBondContact O-N 3.39Å; T708-D710 PolarHBondContact OG1-N 3.22Å; T708-D711 VanDerWaalsContact CB-OD2 3.31Å; T708-D711 WeakPolarHBondContact CB-OD2 3.4Å; T708-D711 WeakPolarHBondContact CG2-OD2 3.48Å; T708-D711 PolarHBondContact N-OD2 3.3Å; T708-D711 PolarHBondContact O-N 2.99Å; T708-D711 VanDerWaalsContact O-N 3.08Å; T708-D711 VanDerWaalsContact OG1-CG 3.29Å; T708-D711 PolarHBondContact OG1-N 2.95Å; T708-D711 PolarHBondContact OG1-OD2 3.34Å; T708-V712 WeakPolarHBondContact O-CG2 2.97Å; T708-V712 PolarHBondContact O-N 3.46Å
709V93.1Very high81.3Confident37 Ų3758.6 Ų58.622%0.22436%0.361CS..Hα-helixtrans-56.5-33.5173.6-174.70000111.7C713 G733 I734 D735V709-C713 WeakPolarHBondContact O-CB 3.44Å; V709-C713 PolarHBondContact O-N 3.49Å; V709-C713 PolarHBondContact O-SG 3.46Å; V709-G733 WeakPolarHBondContact CG2-O 3.25Å; V709-I734 WeakPolarHBondContact CA-O 3.46Å; V709-D735 HydrophobicContact CG2-CB 4.19Å
710D93.6Very high83.8Confident80 Ų8058.7 Ų58.743%0.42836%0.364SS..Hα-helixtrans-71-35.8176.7-86.2-83.4000112.9T708 C713 S714 R730T708-D710 PolarHBondContact O-N 3.39Å; T708-D710 PolarHBondContact OG1-N 3.22Å; D710-C713 PolarHBondContact O-N 3.16Å; D710-S714 WeakPolarHBondContact O-CB 3.42Å; D710-S714 PolarHBondContact O-N 3.24Å; D710-S714 PolarHBondContact O-OG 3.34Å; D710-R730 IonicContact OD1-CZ 2.98Å; D710-R730 IonicContact OD1-NH1 2.71Å; D710-R730 PolarHBondContact OD1-NH1 3.5Å; D710-R730 IonicContact OD1-NH2 2.82Å; D710-R730 PolarHBondContact OD1-NH2 3.03Å; D710-R730 IonicContact OD2-CZ 2.68Å; D710-R730 IonicContact OD2-NH1 2.58Å; D710-R730 PolarHBondContact OD2-NH1 3.29Å
711D92.6Very high86Confident71 Ų7157.6 Ų57.638%0.3836%0.359SS..Hα-helixtrans-69.4-42.2174.1-55.3-53.3000111W707 T708 C713 S714 F715W707-D711 HydrophobicContact CB-CB 3.91Å; W707-D711 HydrophobicContact CG-CB 4.1Å; T708-D711 VanDerWaalsContact CB-OD2 3.31Å; T708-D711 WeakPolarHBondContact CB-OD2 3.4Å; T708-D711 WeakPolarHBondContact CG2-OD2 3.48Å; T708-D711 PolarHBondContact N-OD2 3.3Å; T708-D711 PolarHBondContact O-N 2.99Å; T708-D711 VanDerWaalsContact O-N 3.08Å; T708-D711 VanDerWaalsContact OG1-CG 3.29Å; T708-D711 PolarHBondContact OG1-N 2.95Å; T708-D711 PolarHBondContact OG1-OD2 3.34Å; D711-C713 PolarHBondContact O-N 3.13Å; D711-S714 PolarHBondContact O-N 2.8Å; D711-F715 VanDerWaalsContact O-CB 3.28Å; D711-F715 WeakPolarHBondContact O-CB 3.17Å; D711-F715 PolarHBondContact O-N 3.22Å
712V92.8Very high87.6Confident0 Ų052 Ų520%032%0.323CS..Hα-helixtrans-60.5-44.7172.8173.50000110.9W707 T708 F715 V716 F729 I734 L739W707-V712 HydrophobicContact CB-CG2 4.15Å; W707-V712 HydrophobicContact CE3-CG2 4.27Å; T708-V712 WeakPolarHBondContact O-CG2 2.97Å; T708-V712 PolarHBondContact O-N 3.46Å; V712-F715 PolarHBondContact O-N 2.9Å; V712-V716 WeakPolarHBondContact O-CG2 3.17Å; V712-V716 PolarHBondContact O-N 2.97Å; V712-F729 HydrophobicContact CG1-CD1 3.81Å; V712-I734 WeakPolarHBondContact CB-O 3.45Å; V712-I734 HydrophobicContact CG1-CB 4.45Å; V712-I734 HydrophobicContact CG1-CG2 4.08Å; V712-L739 HydrophobicContact CG1-CD1 4.24Å; V712-L739 HydrophobicContact CG1-CD2 4.08Å; V712-L739 HydrophobicContact CG2-CB 4.47Å; V712-L739 HydrophobicContact CG2-CD2 3.99Å
713C92.6Very high89Confident6 Ų648.4 Ų48.44%0.04132%0.316CS..Hα-helixtrans-62.9-41.9175.6-72.60000112V709 D710 D711 V716 G717 T726V709-C713 WeakPolarHBondContact O-CB 3.44Å; V709-C713 PolarHBondContact O-N 3.49Å; V709-C713 PolarHBondContact O-SG 3.46Å; D710-C713 PolarHBondContact O-N 3.16Å; D711-C713 PolarHBondContact O-N 3.13Å; C713-V716 PolarHBondContact O-N 3.22Å; C713-G717 PolarHBondContact O-N 2.89Å; C713-T726 VanDerWaalsContact O-CG2 3.29Å; C713-T726 WeakPolarHBondContact O-CG2 3.36Å; C713-T726 PolarHBondContact SG-O 3.22Å
714S92Very high89.7Confident83 Ų8350 Ų5058%0.5832%0.32SS*.Hα-helixtrans-65.4-40.4177.4-60.50000111.6D710 D711 G717 G718D710-S714 WeakPolarHBondContact O-CB 3.42Å; D710-S714 PolarHBondContact O-N 3.24Å; D710-S714 PolarHBondContact O-OG 3.34Å; D711-S714 PolarHBondContact O-N 2.8Å; S714-G717 PolarHBondContact O-N 3.47Å; S714-G718 PolarHBondContact O-N 3.21Å
715F91.6Very high89.9Confident20 Ų2050.7 Ų50.79%0.08832%0.322CS..Hα-helixtrans-63.7-46.6174.2165.9-107.8000112.9W707 D711 V712 G717 G718 L719 L739 Q764 V765W707-F715 HydrophobicContact CH2-CB 4.03Å; W707-F715 HydrophobicContact CH2-CD1 4.24Å; W707-F715 AromaticContact CH2-CD2 3.68Å; W707-F715 HydrophobicContact CH2-CD2 3.68Å; W707-F715 HydrophobicContact CH2-CE2 4.16Å; W707-F715 AromaticContact CH2-CG 3.71Å; W707-F715 HydrophobicContact CH2-CG 3.71Å; W707-F715 HydrophobicContact CZ3-CB 3.84Å; W707-F715 AromaticContact CZ3-CD1 3.67Å; W707-F715 HydrophobicContact CZ3-CD1 3.67Å; W707-F715 AromaticContact CZ3-CD2 3.98Å; W707-F715 HydrophobicContact CZ3-CD2 3.98Å; W707-F715 HydrophobicContact CZ3-CE1 4.19Å; W707-F715 HydrophobicContact CZ3-CE2 4.46Å; W707-F715 AromaticContact CZ3-CG 3.54Å; W707-F715 HydrophobicContact CZ3-CG 3.54Å; D711-F715 VanDerWaalsContact O-CB 3.28Å; D711-F715 WeakPolarHBondContact O-CB 3.17Å; D711-F715 PolarHBondContact O-N 3.22Å; V712-F715 PolarHBondContact O-N 2.9Å; F715-G717 VanDerWaalsContact C-N 3.31Å; F715-G718 PolarHBondContact O-N 2.85Å; F715-L719 HydrophobicContact CE1-CD1 4.36Å; F715-L719 HydrophobicContact CZ-CD1 4.18Å; F715-L739 HydrophobicContact CD1-CD2 4.22Å; F715-L739 HydrophobicContact CE1-CD2 4.24Å; F715-Q764 HydrophobicContact CE2-CB 4.32Å; F715-Q764 HydrophobicContact CE2-CG 3.45Å; F715-Q764 VanDerWaalsContact CE2-CG 3.45Å; F715-Q764 HydrophobicContact CZ-CB 3.84Å; F715-Q764 HydrophobicContact CZ-CG 3.48Å; F715-Q764 VanDerWaalsContact CZ-CG 3.48Å; F715-V765 HydrophobicContact CE1-CG2 3.68Å; F715-V765 HydrophobicContact CZ-CG2 4.04Å
716V91.9Very high90.2Very high0 Ų049.2 Ų49.20%031%0.313CS..Hα-helixtrans-67-34.4175.81730000111V712 C713 L719 C722 T726 F729 I761V712-V716 WeakPolarHBondContact O-CG2 3.17Å; V712-V716 PolarHBondContact O-N 2.97Å; C713-V716 PolarHBondContact O-N 3.22Å; V716-L719 PolarHBondContact O-N 3.05Å; V716-C722 HydrophobicContact CG1-CB 4.2Å; V716-C722 WeakPolarHBondContact O-CB 3.48Å; V716-T726 HydrophobicContact CB-CG2 4.15Å; V716-T726 HydrophobicContact CG1-CG2 3.96Å; V716-F729 HydrophobicContact CG1-CD2 4.23Å; V716-F729 HydrophobicContact CG1-CE2 4.33Å; V716-F729 HydrophobicContact CG2-CD1 4.16Å; V716-F729 HydrophobicContact CG2-CD2 4.35Å; V716-F729 HydrophobicContact CG2-CE1 4.18Å; V716-F729 HydrophobicContact CG2-CE2 4.36Å; V716-F729 HydrophobicContact CG2-CG 4.26Å; V716-F729 HydrophobicContact CG2-CZ 4.28Å; V716-I761 HydrophobicContact CG1-CD1 3.96Å; V716-I761 HydrophobicContact CG2-CD1 4.27Å; V716-I761 HydrophobicContact CG2-CG1 4.49Å; V716-I761 HydrophobicContact CG2-CG2 4.47Å
717G90.8Very high90.4Very high40 Ų4050.1 Ų50.141%0.41231%0.313SS..Hα-helixtrans-65.4-38.1175.100000113.2C713 S714 F715 L719 T726C713-G717 PolarHBondContact O-N 2.89Å; S714-G717 PolarHBondContact O-N 3.47Å; F715-G717 VanDerWaalsContact C-N 3.31Å; G717-L719 PolarHBondContact O-N 3.06Å; G717-T726 VanDerWaalsContact N-CG2 3.26Å
718G89.4Confident90.4Very high70 Ų7050.8 Ų50.872%0.72232%0.319SS*.THydrogen-bonded Turntrans-69.7-4.4173.900000115.1S714 F715S714-G718 PolarHBondContact O-N 3.21Å; F715-G718 PolarHBondContact O-N 2.85Å
719L90.7Very high90.4Very high29 Ų2947.2 Ų47.215%0.15230%0.297CS..SBendtrans-93.7128.5177.6-71.6174.5000111.9F715 V716 G717 G721 C722 I761 Q764F715-L719 HydrophobicContact CE1-CD1 4.36Å; F715-L719 HydrophobicContact CZ-CD1 4.18Å; V716-L719 PolarHBondContact O-N 3.05Å; G717-L719 PolarHBondContact O-N 3.06Å; L719-G721 PolarHBondContact O-N 3.28Å; L719-C722 HydrophobicContact CB-CB 3.7Å; L719-C722 WeakPolarHBondContact O-CB 3.41Å; L719-C722 PolarHBondContact O-N 2.82Å; L719-I761 HydrophobicContact CD1-CG1 3.92Å; L719-Q764 HydrophobicContact CD1-CB 4.3Å; L719-Q764 HydrophobicContact CD2-CB 4.33Å; L719-Q764 HydrophobicContact CD2-CG 4.07Å
720S87.1Confident90.3Very high91 Ų9151.2 Ų51.264%0.63631%0.308SS*.THydrogen-bonded Turntrans-62.9118.1-173.758.70000112.1C722 K760S720-C722 VanDerWaalsContact C-N 3.34Å; S720-K760 PolarHBondContact O-NZ 2.74Å
721G84.4Confident90.2Very high47 Ų4752.8 Ų52.849%0.48531%0.313SS..THydrogen-bonded Turntrans70.127.6-17400000113.9L719L719-G721 PolarHBondContact O-N 3.28Å
722C86.8Confident90.1Very high0 Ų054.4 Ų54.40%032%0.318CS..THydrogen-bonded Turntrans-120.6-11.7172-57.60000113.4V716 L719 S720 E724 Y725 I761V716-C722 HydrophobicContact CG1-CB 4.2Å; V716-C722 WeakPolarHBondContact O-CB 3.48Å; L719-C722 HydrophobicContact CB-CB 3.7Å; L719-C722 WeakPolarHBondContact O-CB 3.41Å; L719-C722 PolarHBondContact O-N 2.82Å; S720-C722 VanDerWaalsContact C-N 3.34Å; C722-E724 PolarHBondContact O-N 2.82Å; C722-E724 VanDerWaalsContact O-N 3.15Å; C722-Y725 PolarHBondContact O-N 3.18Å; C722-I761 HydrophobicContact CB-CD1 4.45Å
723G86.8Confident89.9Confident35 Ų3556.2 Ų56.236%0.36134%0.337SS..G310 helixtrans-52.1-35.417800000114.9Y725 T726G723-Y725 PolarHBondContact O-N 3.22Å; G723-Y725 VanDerWaalsContact O-N 3.13Å; G723-T726 WeakPolarHBondContact O-CG2 3.45Å; G723-T726 PolarHBondContact O-N 3.39Å; G723-T726 PolarHBondContact O-OG1 3.11Å
724E88.1Confident89.9Confident123 Ų12356.5 Ų56.558%0.57534%0.338SS*.G310 helixtrans-47.6-38.3172.2-67.8167.1-112.400112.6C722 K754C722-E724 PolarHBondContact O-N 2.82Å; C722-E724 VanDerWaalsContact O-N 3.15Å; E724-K754 IonicContact OE2-NZ 3.82Å; E724-K754 PolarHBondContact OE2-NZ 2.97Å; E724-K754 VanDerWaalsContact OE2-NZ 3.12Å
725Y88.8Confident89.9Confident19 Ų1955 Ų558%0.07532%0.323CS..G310 helixtrans-93-8.2-170.3-55.7-75.2000113.7C722 G723 R727 V728 F729 L753 K754 P757C722-Y725 PolarHBondContact O-N 3.18Å; G723-Y725 PolarHBondContact O-N 3.22Å; G723-Y725 VanDerWaalsContact O-N 3.13Å; Y725-R727 PolarHBondContact O-N 2.78Å; Y725-V728 WeakPolarHBondContact O-CA 3.41Å; Y725-V728 WeakPolarHBondContact O-CB 3.32Å; Y725-V728 PolarHBondContact O-N 3.37Å; Y725-F729 WeakPolarHBondContact O-CD2 3.42Å; Y725-F729 PolarHBondContact O-N 3.29Å; Y725-F729 VanDerWaalsContact O-N 3.09Å; Y725-L753 HydrophobicContact CD1-CD1 3.73Å; Y725-L753 HydrophobicContact CD1-CG 3.61Å; Y725-L753 HydrophobicContact CD2-CG 4.24Å; Y725-L753 HydrophobicContact CE1-CB 4.39Å; Y725-L753 HydrophobicContact CE1-CD1 4.35Å; Y725-L753 HydrophobicContact CE1-CG 3.93Å; Y725-L753 HydrophobicContact CG-CD1 4.09Å; Y725-L753 HydrophobicContact CG-CD2 4.32Å; Y725-L753 HydrophobicContact CG-CG 3.77Å; Y725-K754 VanDerWaalsContact OH-CD 3.27Å; Y725-K754 WeakPolarHBondContact OH-CD 3.42Å; Y725-K754 WeakPolarHBondContact OH-CE 3.35Å; Y725-K754 WeakPolarHBondContact OH-CG 3.49Å; Y725-K754 PolarHBondContact OH-NZ 3.24Å; Y725-P757 HydrophobicContact CD2-CB 4.01Å; Y725-P757 HydrophobicContact CD2-CG 4.41Å; Y725-P757 HydrophobicContact CE2-CB 3.66Å; Y725-P757 HydrophobicContact CE2-CG 3.63Å
726T91.3Very high89.8Confident39 Ų3954 Ų5424%0.23932%0.319CS..Hα-helixtrans-54.7-38.7178.954.80000112.4C713 V716 G717 G723 V728 F729 R730C713-T726 VanDerWaalsContact O-CG2 3.29Å; C713-T726 WeakPolarHBondContact O-CG2 3.36Å; C713-T726 PolarHBondContact SG-O 3.22Å; V716-T726 HydrophobicContact CB-CG2 4.15Å; V716-T726 HydrophobicContact CG1-CG2 3.96Å; G717-T726 VanDerWaalsContact N-CG2 3.26Å; G723-T726 WeakPolarHBondContact O-CG2 3.45Å; G723-T726 PolarHBondContact O-N 3.39Å; G723-T726 PolarHBondContact O-OG1 3.11Å; T726-V728 VanDerWaalsContact C-N 3.33Å; T726-V728 PolarHBondContact O-N 3.34Å; T726-F729 PolarHBondContact O-N 3.01Å; T726-R730 PolarHBondContact O-N 2.87Å
727R90.5Very high89.5Confident168 Ų16860.2 Ų60.263%0.63435%0.348SS*.Hα-helixtrans-59.2-41.6173.2179.6176.4169.1168.71.3112.4Y725 R730 E731Y725-R727 PolarHBondContact O-N 2.78Å; R727-R730 WeakPolarHBondContact O-CB 3.47Å; R727-R730 PolarHBondContact O-N 3.38Å; R727-E731 HydrophobicContact CG-CG 4.3Å; R727-E731 IonicContact CZ-OE1 2.98Å; R727-E731 IonicContact NE-OE1 2.71Å; R727-E731 PolarHBondContact NE-OE1 3.18Å; R727-E731 IonicContact NE-OE2 3.95Å; R727-E731 IonicContact NH2-OE1 2.88Å; R727-E731 PolarHBondContact NH2-OE1 3.37Å; R727-E731 WeakPolarHBondContact O-CB 3.31Å; R727-E731 WeakPolarHBondContact O-CG 3.43Å; R727-E731 PolarHBondContact O-N 2.63Å
728V91.3Very high89.4Confident33 Ų3360.7 Ų60.720%0.234%0.343CS..Hα-helixtrans-67.5-41.3179-173.10000110.9Y725 T726 R730 E731 Q732 M751Y725-V728 WeakPolarHBondContact O-CA 3.41Å; Y725-V728 WeakPolarHBondContact O-CB 3.32Å; Y725-V728 PolarHBondContact O-N 3.37Å; T726-V728 VanDerWaalsContact C-N 3.33Å; T726-V728 PolarHBondContact O-N 3.34Å; V728-R730 VanDerWaalsContact C-N 3.29Å; V728-R730 PolarHBondContact O-N 3.38Å; V728-E731 PolarHBondContact O-N 3.05Å; V728-Q732 HydrophobicContact CG1-CG 4.27Å; V728-Q732 WeakPolarHBondContact O-CB 3.47Å; V728-Q732 VanDerWaalsContact O-CG 3.29Å; V728-Q732 WeakPolarHBondContact O-CG 3.45Å; V728-Q732 PolarHBondContact O-N 2.9Å; V728-M751 HydrophobicContact CG1-CB 3.85Å; V728-M751 HydrophobicContact CG1-CG 3.85Å
729F92Very high89.3Confident0 Ų057.7 Ų57.70%031%0.31CS..Hα-helixtrans-62.5-36.7174.2-81.1-104000111.8V712 V716 Y725 T726 G733 I734 L739 L742 L747 M751 L753 I761V712-F729 HydrophobicContact CG1-CD1 3.81Å; V716-F729 HydrophobicContact CG1-CD2 4.23Å; V716-F729 HydrophobicContact CG1-CE2 4.33Å; V716-F729 HydrophobicContact CG2-CD1 4.16Å; V716-F729 HydrophobicContact CG2-CD2 4.35Å; V716-F729 HydrophobicContact CG2-CE1 4.18Å; V716-F729 HydrophobicContact CG2-CE2 4.36Å; V716-F729 HydrophobicContact CG2-CG 4.26Å; V716-F729 HydrophobicContact CG2-CZ 4.28Å; Y725-F729 WeakPolarHBondContact O-CD2 3.42Å; Y725-F729 PolarHBondContact O-N 3.29Å; Y725-F729 VanDerWaalsContact O-N 3.09Å; T726-F729 PolarHBondContact O-N 3.01Å; F729-G733 PolarHBondContact O-N 3.02Å; F729-I734 HydrophobicContact CB-CB 4.47Å; F729-I734 HydrophobicContact CD1-CB 3.82Å; F729-I734 HydrophobicContact CD1-CG1 3.92Å; F729-I734 HydrophobicContact CD1-CG2 3.83Å; F729-I734 HydrophobicContact CE1-CG2 4.23Å; F729-I734 HydrophobicContact CG-CG1 4.46Å; F729-I734 PolarHBondContact O-N 3.46Å; F729-L739 HydrophobicContact CD1-CD1 4.48Å; F729-L739 HydrophobicContact CE1-CD1 3.83Å; F729-L742 HydrophobicContact CE1-CD1 3.82Å; F729-L742 HydrophobicContact CZ-CD1 4.46Å; F729-L747 HydrophobicContact CE1-CD2 4.45Å; F729-L747 HydrophobicContact CE2-CD2 4.38Å; F729-L747 HydrophobicContact CZ-CD2 3.66Å; F729-M751 HydrophobicContact CE2-SD 4.29Å; F729-M751 HydrophobicContact CZ-SD 4.27Å; F729-L753 HydrophobicContact CE2-CD1 4.34Å; F729-L753 HydrophobicContact CE2-CD2 4.22Å; F729-I761 HydrophobicContact CE2-CD1 3.88Å; F729-I761 HydrophobicContact CZ-CD1 3.86Å; F729-I761 HydrophobicContact CZ-CG2 4.19Å
730R92.3Very high89.2Confident121 Ų12158.5 Ų58.546%0.45732%0.317SS..Hα-helixtrans-67.8-46173.2-168.9177.1-67.6-86.61.3112.8D710 T726 R727 V728 Q732 G733D710-R730 IonicContact OD1-CZ 2.98Å; D710-R730 IonicContact OD1-NH1 2.71Å; D710-R730 PolarHBondContact OD1-NH1 3.5Å; D710-R730 IonicContact OD1-NH2 2.82Å; D710-R730 PolarHBondContact OD1-NH2 3.03Å; D710-R730 IonicContact OD2-CZ 2.68Å; D710-R730 IonicContact OD2-NH1 2.58Å; D710-R730 PolarHBondContact OD2-NH1 3.29Å; T726-R730 PolarHBondContact O-N 2.87Å; R727-R730 WeakPolarHBondContact O-CB 3.47Å; R727-R730 PolarHBondContact O-N 3.38Å; V728-R730 VanDerWaalsContact C-N 3.29Å; V728-R730 PolarHBondContact O-N 3.38Å; R730-Q732 VanDerWaalsContact C-N 3.31Å; R730-Q732 PolarHBondContact O-N 3.44Å; R730-G733 PolarHBondContact O-N 2.76Å; R730-G733 VanDerWaalsContact O-N 3.1Å
731E90.6Very high89.2Confident114 Ų11460.6 Ų60.653%0.53332%0.321SS..Hα-helixtrans-67.8-29.3-179.2-75.2172.8156.600112.6R727 V728R727-E731 HydrophobicContact CG-CG 4.3Å; R727-E731 IonicContact CZ-OE1 2.98Å; R727-E731 IonicContact NE-OE1 2.71Å; R727-E731 PolarHBondContact NE-OE1 3.18Å; R727-E731 IonicContact NE-OE2 3.95Å; R727-E731 IonicContact NH2-OE1 2.88Å; R727-E731 PolarHBondContact NH2-OE1 3.37Å; R727-E731 WeakPolarHBondContact O-CB 3.31Å; R727-E731 WeakPolarHBondContact O-CG 3.43Å; R727-E731 PolarHBondContact O-N 2.63Å; V728-E731 PolarHBondContact O-N 3.05Å
732Q90.5Very high89.4Confident104 Ų10459.2 Ų59.249%0.48630%0.302SS..THydrogen-bonded Turntrans-87.1-1.8172.2-63-65.7-32.200113.4V728 R730 I734 M751V728-Q732 HydrophobicContact CG1-CG 4.27Å; V728-Q732 WeakPolarHBondContact O-CB 3.47Å; V728-Q732 VanDerWaalsContact O-CG 3.29Å; V728-Q732 WeakPolarHBondContact O-CG 3.45Å; V728-Q732 PolarHBondContact O-N 2.9Å; R730-Q732 VanDerWaalsContact C-N 3.31Å; R730-Q732 PolarHBondContact O-N 3.44Å; Q732-I734 VanDerWaalsContact C-N 3.31Å; Q732-I734 HydrophobicContact CB-CD1 3.87Å; Q732-I734 HydrophobicContact CB-CG1 3.94Å; Q732-I734 PolarHBondContact O-N 3.16Å; Q732-M751 HydrophobicContact CG-CG 4.14Å
733G89.3Confident89.6Confident39 Ų3962.8 Ų62.840%0.40232%0.324SS..THydrogen-bonded Turntrans63.929.4178.500000114.8V709 F729 R730 D735V709-G733 WeakPolarHBondContact CG2-O 3.25Å; F729-G733 PolarHBondContact O-N 3.02Å; R730-G733 PolarHBondContact O-N 2.76Å; R730-G733 VanDerWaalsContact O-N 3.1Å; G733-D735 PolarHBondContact O-N 3.01Å
734I91.9Very high89.7Confident11 Ų1164.1 Ų64.16%0.05632%0.321CS..  trans-69.5114-174.6-54.3-53.2000110.8V709 V712 F729 Q732 L739 L742V709-I734 WeakPolarHBondContact CA-O 3.46Å; V712-I734 WeakPolarHBondContact CB-O 3.45Å; V712-I734 HydrophobicContact CG1-CB 4.45Å; V712-I734 HydrophobicContact CG1-CG2 4.08Å; F729-I734 HydrophobicContact CB-CB 4.47Å; F729-I734 HydrophobicContact CD1-CB 3.82Å; F729-I734 HydrophobicContact CD1-CG1 3.92Å; F729-I734 HydrophobicContact CD1-CG2 3.83Å; F729-I734 HydrophobicContact CE1-CG2 4.23Å; F729-I734 HydrophobicContact CG-CG1 4.46Å; F729-I734 PolarHBondContact O-N 3.46Å; Q732-I734 VanDerWaalsContact C-N 3.31Å; Q732-I734 HydrophobicContact CB-CD1 3.87Å; Q732-I734 HydrophobicContact CB-CG1 3.94Å; Q732-I734 PolarHBondContact O-N 3.16Å; I734-L739 HydrophobicContact CG2-CB 3.97Å; I734-L739 HydrophobicContact CG2-CD1 4.37Å; I734-L742 HydrophobicContact CD1-CD2 4.04Å; I734-L742 HydrophobicContact CG1-CD1 4.48Å; I734-L742 HydrophobicContact CG2-CD1 3.84Å
735D92.1Very high89.7Confident51 Ų5164.9 Ų64.927%0.27332%0.324SS..  trans-99-176.9174.966.29.4000112.6V709 G733 E737 T738 L739V709-D735 HydrophobicContact CG2-CB 4.19Å; G733-D735 PolarHBondContact O-N 3.01Å; D735-E737 VanDerWaalsContact C-N 3.3Å; D735-E737 PolarHBondContact O-N 3.03Å; D735-E737 PolarHBondContact OD1-N 3.14Å; D735-T738 PolarHBondContact N-OG1 3.29Å; D735-T738 VanDerWaalsContact N-OG1 3.09Å; D735-T738 PolarHBondContact O-OG1 3.09Å; D735-T738 VanDerWaalsContact OD1-CB 3.29Å; D735-T738 WeakPolarHBondContact OD1-CB 3.15Å; D735-T738 WeakPolarHBondContact OD1-CG2 3.33Å; D735-T738 PolarHBondContact OD1-N 3.47Å; D735-T738 PolarHBondContact OD1-OG1 3.21Å; D735-L739 WeakPolarHBondContact O-CB 3.24Å; D735-L739 PolarHBondContact O-N 2.66Å
736G88.4Confident89.7Confident0 Ų066.7 Ų66.70%033%0.333CS..THydrogen-bonded Turntrans-66.3-24.5179.100000115.6V704 T705 W707 P740V704-G736 CarbonylContact C-O 3.54Å; V704-G736 CarbonylContact O-C 3.56Å; V704-G736 WeakPolarHBondContact O-CA 3.49Å; T705-G736 WeakPolarHBondContact CA-O 3.32Å; W707-G736 WeakPolarHBondContact O-CA 3.45Å; W707-G736 PolarHBondContact O-N 3.21Å; G736-P740 WeakPolarHBondContact O-CD 3.43Å; G736-P740 WeakPolarHBondContact O-CG 3.38Å
737E86.4Confident89.7Confident131 Ų13164.9 Ų64.961%0.61232%0.322SS*.THydrogen-bonded Turntrans-84.8-33.9179.2-59.8-160156.300111.8T705 D735 P740T705-E737 VanDerWaalsContact O-CG 3.31Å; T705-E737 WeakPolarHBondContact O-CG 3.42Å; D735-E737 VanDerWaalsContact C-N 3.3Å; D735-E737 PolarHBondContact O-N 3.03Å; D735-E737 PolarHBondContact OD1-N 3.14Å; E737-P740 WeakPolarHBondContact O-CD 3.23Å
738T87.9Confident89.8Confident50 Ų5059.8 Ų59.831%0.30731%0.307SS..THydrogen-bonded Turntrans-84.6-34.1177.355.50000113.3D735 P740 L741 L742D735-T738 PolarHBondContact N-OG1 3.29Å; D735-T738 VanDerWaalsContact N-OG1 3.09Å; D735-T738 PolarHBondContact O-OG1 3.09Å; D735-T738 VanDerWaalsContact OD1-CB 3.29Å; D735-T738 WeakPolarHBondContact OD1-CB 3.15Å; D735-T738 WeakPolarHBondContact OD1-CG2 3.33Å; D735-T738 PolarHBondContact OD1-N 3.47Å; D735-T738 PolarHBondContact OD1-OG1 3.21Å; T738-P740 VanDerWaalsContact C-CD 3.46Å; T738-P740 VanDerWaalsContact C-N 3.34Å; T738-L741 WeakPolarHBondContact O-CA 3.45Å; T738-L741 WeakPolarHBondContact O-CB 3.43Å; T738-L741 PolarHBondContact O-N 3.28Å; T738-L742 WeakPolarHBondContact O-CG 3.22Å; T738-L742 PolarHBondContact O-N 3.27Å
739L89.1Confident89.6Confident6 Ų663.1 Ų63.13%0.03133%0.328CS..G310 helixtrans-51-39.5178.4176.967.3000114.6V704 W707 V712 F715 F729 I734 D735 L741 L742 I761 V765V704-L739 HydrophobicContact CG1-CD2 4.21Å; W707-L739 HydrophobicContact CE3-CD2 4.03Å; W707-L739 HydrophobicContact CZ3-CD2 4.03Å; V712-L739 HydrophobicContact CG1-CD1 4.24Å; V712-L739 HydrophobicContact CG1-CD2 4.08Å; V712-L739 HydrophobicContact CG2-CB 4.47Å; V712-L739 HydrophobicContact CG2-CD2 3.99Å; F715-L739 HydrophobicContact CD1-CD2 4.22Å; F715-L739 HydrophobicContact CE1-CD2 4.24Å; F729-L739 HydrophobicContact CD1-CD1 4.48Å; F729-L739 HydrophobicContact CE1-CD1 3.83Å; I734-L739 HydrophobicContact CG2-CB 3.97Å; I734-L739 HydrophobicContact CG2-CD1 4.37Å; D735-L739 WeakPolarHBondContact O-CB 3.24Å; D735-L739 PolarHBondContact O-N 2.66Å; L739-L741 VanDerWaalsContact C-N 3.32Å; L739-L741 PolarHBondContact O-N 3Å; L739-L742 HydrophobicContact CD1-CD1 4.04Å; L739-I761 HydrophobicContact CD1-CG2 4.29Å; L739-V765 HydrophobicContact CD1-CG2 3.88Å; L739-V765 HydrophobicContact CD2-CG2 3.81Å; L739-V765 HydrophobicContact CG-CG1 4.33Å; L739-V765 HydrophobicContact CG-CG2 3.72Å
740P88.1Confident89.3Confident47 Ų4768 Ų6831%0.30535%0.354SS..G310 helixtrans-65.4-26.8171.7-25.236.2000115.3V704 G736 E737 T738 L769V704-P740 HydrophobicContact CG1-CG 4.41Å; G736-P740 WeakPolarHBondContact O-CD 3.43Å; G736-P740 WeakPolarHBondContact O-CG 3.38Å; E737-P740 WeakPolarHBondContact O-CD 3.23Å; T738-P740 VanDerWaalsContact C-CD 3.46Å; T738-P740 VanDerWaalsContact C-N 3.34Å; P740-L769 HydrophobicContact CB-CD1 3.72Å; P740-L769 HydrophobicContact CG-CD1 3.95Å; P740-L769 HydrophobicContact CG-CD2 4.14Å
741L87.4Confident89Confident134 Ų13462.9 Ų62.970%0.70234%0.335SS*.G310 helixtrans-87.4-13.9-172.9-54.9177.4000112.8T738 L739 T743T738-L741 WeakPolarHBondContact O-CA 3.45Å; T738-L741 WeakPolarHBondContact O-CB 3.43Å; T738-L741 PolarHBondContact O-N 3.28Å; L739-L741 VanDerWaalsContact C-N 3.32Å; L739-L741 PolarHBondContact O-N 3Å; L741-T743 PolarHBondContact O-N 3.32Å; L741-T743 VanDerWaalsContact O-N 3.17Å
742L88.9Confident88.9Confident18 Ų1859.9 Ų59.99%0.09434%0.335CS..  trans-66113.9-176.4-49.1178.4000111.5F729 I734 T738 L739 L747 M751F729-L742 HydrophobicContact CE1-CD1 3.82Å; F729-L742 HydrophobicContact CZ-CD1 4.46Å; I734-L742 HydrophobicContact CD1-CD2 4.04Å; I734-L742 HydrophobicContact CG1-CD1 4.48Å; I734-L742 HydrophobicContact CG2-CD1 3.84Å; T738-L742 WeakPolarHBondContact O-CG 3.22Å; T738-L742 PolarHBondContact O-N 3.27Å; L739-L742 HydrophobicContact CD1-CD1 4.04Å; L742-L747 HydrophobicContact CB-CD2 4.48Å; L742-L747 HydrophobicContact CB-CG 4.31Å; L742-L747 HydrophobicContact CD1-CD2 4.19Å; L742-M751 HydrophobicContact CD1-CE 4.07Å; L742-M751 HydrophobicContact CD2-CE 4.18Å
743T89.1Confident88.9Confident75 Ų7555.3 Ų55.346%0.4631%0.314SS..  trans-72.6163.5176.369.90000111.5L741 E745 H746 L747L741-T743 PolarHBondContact O-N 3.32Å; L741-T743 VanDerWaalsContact O-N 3.17Å; T743-E745 VanDerWaalsContact C-N 3.31Å; T743-E745 PolarHBondContact O-N 2.98Å; T743-H746 PolarHBondContact O-N 3.2Å; T743-H746 VanDerWaalsContact OG1-CB 3.3Å; T743-H746 WeakPolarHBondContact OG1-CB 3.47Å; T743-H746 PolarHBondContact OG1-N 3.09Å; T743-L747 PolarHBondContact O-N 2.85Å; T743-L747 VanDerWaalsContact O-N 3.16Å
744E89.8Confident89Confident64 Ų6459.3 Ų59.330%0.29932%0.32SS..Hα-helixtrans-60.2-44173.9-159.7166.8141.700111.4H746 L747 L748 L759 R762E744-H746 PolarHBondContact O-N 3.28Å; E744-L747 PolarHBondContact O-N 3.47Å; E744-L748 HydrophobicContact CG-CD1 4.19Å; E744-L748 WeakPolarHBondContact O-CB 3.34Å; E744-L748 WeakPolarHBondContact O-CG 3.33Å; E744-L748 PolarHBondContact O-N 3.06Å; E744-L759 HydrophobicContact CG-CD2 4.39Å; E744-R762 IonicContact OE2-CZ 2.61Å; E744-R762 IonicContact OE2-NH1 3.19Å; E744-R762 PolarHBondContact OE2-NH1 2.67Å; E744-R762 IonicContact OE2-NH2 3.54Å
745E88.1Confident88.9Confident139 Ų13963 Ų6365%0.6534%0.34SS*.Hα-helixtrans-61-41.3175.5-178.1171.6-157.500112.3T743 L748 T749T743-E745 VanDerWaalsContact C-N 3.31Å; T743-E745 PolarHBondContact O-N 2.98Å; E745-L748 PolarHBondContact O-N 3.01Å; E745-T749 WeakPolarHBondContact O-CB 3.48Å; E745-T749 PolarHBondContact O-N 2.99Å; E745-T749 PolarHBondContact O-OG1 2.93Å
746H89.4Confident88.7Confident56 Ų5662.6 Ų62.626%0.25935%0.347SS..Iπ-helixtrans-67.1-39.9180-172.860000112.4T743 E744 N750 M751T743-H746 PolarHBondContact O-N 3.2Å; T743-H746 VanDerWaalsContact OG1-CB 3.3Å; T743-H746 WeakPolarHBondContact OG1-CB 3.47Å; T743-H746 PolarHBondContact OG1-N 3.09Å; E744-H746 PolarHBondContact O-N 3.28Å; H746-N750 WeakPolarHBondContact ND1-CB 3.27Å; H746-N750 PolarHBondContact ND1-OD1 3.31Å; H746-N750 WeakPolarHBondContact O-CB 3.34Å; H746-N750 PolarHBondContact O-N 3.01Å; H746-M751 WeakPolarHBondContact CD2-CE 3.3Å; H746-M751 WeakPolarHBondContact NE2-CE 3.42Å; H746-M751 PolarHBondContact O-N 3.19Å; H746-M751 VanDerWaalsContact O-N 3.15Å
747L91.6Very high88.9Confident1 Ų163.4 Ų63.41%0.00535%0.353CS..Iπ-helixtrans-64.9-42.5173.8-70162.2000112.2F729 L742 T743 E744 M751 G752 L753 A758 R762F729-L747 HydrophobicContact CE1-CD2 4.45Å; F729-L747 HydrophobicContact CE2-CD2 4.38Å; F729-L747 HydrophobicContact CZ-CD2 3.66Å; L742-L747 HydrophobicContact CB-CD2 4.48Å; L742-L747 HydrophobicContact CB-CG 4.31Å; L742-L747 HydrophobicContact CD1-CD2 4.19Å; T743-L747 PolarHBondContact O-N 2.85Å; T743-L747 VanDerWaalsContact O-N 3.16Å; E744-L747 PolarHBondContact O-N 3.47Å; L747-M751 HydrophobicContact CD2-CE 3.69Å; L747-M751 HydrophobicContact CD2-SD 3.9Å; L747-M751 HydrophobicContact CG-CE 4.21Å; L747-G752 PolarHBondContact O-N 3.06Å; L747-L753 HydrophobicContact CD2-CD2 4.12Å; L747-L753 WeakPolarHBondContact O-CB 3.4Å; L747-L753 PolarHBondContact O-N 2.98Å; L747-A758 HydrophobicContact CB-CB 3.86Å; L747-A758 HydrophobicContact CD1-CB 4.26Å; L747-R762 VanDerWaalsContact CD1-CD 3.41Å; L747-R762 HydrophobicContact CD1-CG 3.55Å
748L91.1Very high89.1Confident62 Ų6257.1 Ų57.133%0.32532%0.323SS..Iπ-helixtrans-71.5-48.8-179.6-69.3171.3000112.4E744 E745 G752 L753 L755 A758E744-L748 HydrophobicContact CG-CD1 4.19Å; E744-L748 WeakPolarHBondContact O-CB 3.34Å; E744-L748 WeakPolarHBondContact O-CG 3.33Å; E744-L748 PolarHBondContact O-N 3.06Å; E745-L748 PolarHBondContact O-N 3.01Å; L748-G752 VanDerWaalsContact O-CA 3.3Å; L748-G752 WeakPolarHBondContact O-CA 3.3Å; L748-G752 PolarHBondContact O-N 3.22Å; L748-L753 WeakPolarHBondContact CD2-O 3.48Å; L748-L755 HydrophobicContact CD1-CD1 4.13Å; L748-L755 HydrophobicContact CD2-CB 4.12Å; L748-L755 HydrophobicContact CD2-CD1 4.12Å; L748-A758 HydrophobicContact CD2-CB 4.33Å
749T86.8Confident89.3Confident103 Ų10358 Ų5863%0.63233%0.326SS*.Iπ-helixtrans-93.7-44.5-166.1-53.80000112.8E745E745-T749 WeakPolarHBondContact O-CB 3.48Å; E745-T749 PolarHBondContact O-N 2.99Å; E745-T749 PolarHBondContact O-OG1 2.93Å
750N86.1Confident89.4Confident103 Ų10362.2 Ų62.255%0.55134%0.344SS*.Iπ-helixtrans-87.4-38.7-178.1-6197000112.4H746H746-N750 WeakPolarHBondContact ND1-CB 3.27Å; H746-N750 PolarHBondContact ND1-OD1 3.31Å; H746-N750 WeakPolarHBondContact O-CB 3.34Å; H746-N750 PolarHBondContact O-N 3.01Å
751M86.4Confident89.5Confident12 Ų1260 Ų606%0.05933%0.33CS..SBendtrans-95.7-6.8178.6-73.3175.3-103.700114.2V728 F729 Q732 L742 H746 L747 L753V728-M751 HydrophobicContact CG1-CB 3.85Å; V728-M751 HydrophobicContact CG1-CG 3.85Å; F729-M751 HydrophobicContact CE2-SD 4.29Å; F729-M751 HydrophobicContact CZ-SD 4.27Å; Q732-M751 HydrophobicContact CG-CG 4.14Å; L742-M751 HydrophobicContact CD1-CE 4.07Å; L742-M751 HydrophobicContact CD2-CE 4.18Å; H746-M751 WeakPolarHBondContact CD2-CE 3.3Å; H746-M751 WeakPolarHBondContact NE2-CE 3.42Å; H746-M751 PolarHBondContact O-N 3.19Å; H746-M751 VanDerWaalsContact O-N 3.15Å; L747-M751 HydrophobicContact CD2-CE 3.69Å; L747-M751 HydrophobicContact CD2-SD 3.9Å; L747-M751 HydrophobicContact CG-CE 4.21Å; M751-L753 VanDerWaalsContact C-N 3.28Å; M751-L753 HydrophobicContact CB-CD1 3.51Å; M751-L753 PolarHBondContact O-N 2.8Å
752G87.5Confident89.6Confident52 Ų5255.8 Ų55.854%0.53630%0.304SS..  trans66.622.1176.300000115L747 L748L747-G752 PolarHBondContact O-N 3.06Å; L748-G752 VanDerWaalsContact O-CA 3.3Å; L748-G752 WeakPolarHBondContact O-CA 3.3Å; L748-G752 PolarHBondContact O-N 3.22Å
753L91Very high89.6Confident7 Ų757.5 Ų57.54%0.03732%0.321CS..  trans-68144.6177.7-85.871.7000110.9Y725 F729 L747 L748 M751 P757 A758 I761Y725-L753 HydrophobicContact CD1-CD1 3.73Å; Y725-L753 HydrophobicContact CD1-CG 3.61Å; Y725-L753 HydrophobicContact CD2-CG 4.24Å; Y725-L753 HydrophobicContact CE1-CB 4.39Å; Y725-L753 HydrophobicContact CE1-CD1 4.35Å; Y725-L753 HydrophobicContact CE1-CG 3.93Å; Y725-L753 HydrophobicContact CG-CD1 4.09Å; Y725-L753 HydrophobicContact CG-CD2 4.32Å; Y725-L753 HydrophobicContact CG-CG 3.77Å; F729-L753 HydrophobicContact CE2-CD1 4.34Å; F729-L753 HydrophobicContact CE2-CD2 4.22Å; L747-L753 HydrophobicContact CD2-CD2 4.12Å; L747-L753 WeakPolarHBondContact O-CB 3.4Å; L747-L753 PolarHBondContact O-N 2.98Å; L748-L753 WeakPolarHBondContact CD2-O 3.48Å; M751-L753 VanDerWaalsContact C-N 3.28Å; M751-L753 HydrophobicContact CB-CD1 3.51Å; M751-L753 PolarHBondContact O-N 2.8Å; L753-P757 HydrophobicContact CD2-CB 4.25Å; L753-A758 HydrophobicContact CB-CB 4.08Å; L753-A758 HydrophobicContact CD2-CB 4.26Å; L753-I761 HydrophobicContact CD2-CD1 3.67Å
754K91.6Very high89.6Confident123 Ų12356.3 Ų56.354%0.53531%0.31SS..  trans-67.6147.8163.8-61.8160.1-164.5145.60108.6E724 Y725 G756 P757 A758E724-K754 IonicContact OE2-NZ 3.82Å; E724-K754 PolarHBondContact OE2-NZ 2.97Å; E724-K754 VanDerWaalsContact OE2-NZ 3.12Å; Y725-K754 VanDerWaalsContact OH-CD 3.27Å; Y725-K754 WeakPolarHBondContact OH-CD 3.42Å; Y725-K754 WeakPolarHBondContact OH-CE 3.35Å; Y725-K754 WeakPolarHBondContact OH-CG 3.49Å; Y725-K754 PolarHBondContact OH-NZ 3.24Å; K754-G756 VanDerWaalsContact C-N 3.28Å; K754-G756 PolarHBondContact O-N 3.18Å; K754-P757 HydrophobicContact CB-CG 4.18Å; K754-P757 WeakPolarHBondContact O-CD 3.48Å; K754-A758 PolarHBondContact O-N 2.75Å
755L89.1Confident89.6Confident90 Ų9053.6 Ų53.647%0.47130%0.298SS..Hα-helixtrans-54.4-39-176.8-176.464.8000113.8L748 A758 L759L748-L755 HydrophobicContact CD1-CD1 4.13Å; L748-L755 HydrophobicContact CD2-CB 4.12Å; L748-L755 HydrophobicContact CD2-CD1 4.12Å; L755-A758 PolarHBondContact O-N 2.91Å; L755-L759 HydrophobicContact CD1-CD1 3.88Å; L755-L759 HydrophobicContact CD1-CG 3.96Å; L755-L759 HydrophobicContact CD2-CD1 4.49Å; L755-L759 HydrophobicContact CG-CD1 3.84Å; L755-L759 HydrophobicContact CG-CG 4.28Å; L755-L759 WeakPolarHBondContact O-CB 3.14Å; L755-L759 VanDerWaalsContact O-CG 3.3Å; L755-L759 WeakPolarHBondContact O-CG 3.5Å; L755-L759 PolarHBondContact O-N 3.28Å
756G89.7Confident89.5Confident41 Ų4148.4 Ų48.442%0.42328%0.279SS..Hα-helixtrans-58.1-60.1176.500000113.2K754 A758 L759 K760K754-G756 VanDerWaalsContact C-N 3.28Å; K754-G756 PolarHBondContact O-N 3.18Å; G756-A758 PolarHBondContact O-N 2.82Å; G756-L759 PolarHBondContact O-N 2.68Å; G756-K760 WeakPolarHBondContact O-CB 3.23Å; G756-K760 WeakPolarHBondContact O-CG 3.29Å; G756-K760 PolarHBondContact O-N 3.29Å
757P91.3Very high89.2Confident17 Ų1754.7 Ų54.711%0.1130%0.3CS..Hα-helixtrans-50.8-47.4170.1-31.235.2000114.7Y725 L753 K754 L759 K760 I761Y725-P757 HydrophobicContact CD2-CB 4.01Å; Y725-P757 HydrophobicContact CD2-CG 4.41Å; Y725-P757 HydrophobicContact CE2-CB 3.66Å; Y725-P757 HydrophobicContact CE2-CG 3.63Å; L753-P757 HydrophobicContact CD2-CB 4.25Å; K754-P757 HydrophobicContact CB-CG 4.18Å; K754-P757 WeakPolarHBondContact O-CD 3.48Å; P757-L759 PolarHBondContact O-N 3.41Å; P757-K760 WeakPolarHBondContact O-CB 3.35Å; P757-K760 PolarHBondContact O-N 3.4Å; P757-I761 WeakPolarHBondContact O-CG1 3.43Å; P757-I761 PolarHBondContact O-N 3.04Å
758A91.8Very high88.8Confident0 Ų060.5 Ų60.50%032%0.322CS..Hα-helixtrans-60.1-45.3-179.700000112.3L747 L748 L753 K754 L755 G756 R762L747-A758 HydrophobicContact CB-CB 3.86Å; L747-A758 HydrophobicContact CD1-CB 4.26Å; L748-A758 HydrophobicContact CD2-CB 4.33Å; L753-A758 HydrophobicContact CB-CB 4.08Å; L753-A758 HydrophobicContact CD2-CB 4.26Å; K754-A758 PolarHBondContact O-N 2.75Å; L755-A758 PolarHBondContact O-N 2.91Å; G756-A758 PolarHBondContact O-N 2.82Å; A758-R762 PolarHBondContact O-N 2.81Å; A758-R762 VanDerWaalsContact O-N 3.1Å
759L90.8Very high88.3Confident68 Ų6860.2 Ų60.236%0.35632%0.321SS..Hα-helixtrans-68.7-37175.8-68.8176.6000112.5E744 L755 G756 P757 A763E744-L759 HydrophobicContact CG-CD2 4.39Å; L755-L759 HydrophobicContact CD1-CD1 3.88Å; L755-L759 HydrophobicContact CD1-CG 3.96Å; L755-L759 HydrophobicContact CD2-CD1 4.49Å; L755-L759 HydrophobicContact CG-CD1 3.84Å; L755-L759 HydrophobicContact CG-CG 4.28Å; L755-L759 WeakPolarHBondContact O-CB 3.14Å; L755-L759 VanDerWaalsContact O-CG 3.3Å; L755-L759 WeakPolarHBondContact O-CG 3.5Å; L755-L759 PolarHBondContact O-N 3.28Å; G756-L759 PolarHBondContact O-N 2.68Å; P757-L759 PolarHBondContact O-N 3.41Å; L759-A763 WeakPolarHBondContact O-CB 3.4Å; L759-A763 PolarHBondContact O-N 2.83Å
760K91.3Very high87Confident94 Ų9457.5 Ų57.541%0.40931%0.313SS..Hα-helixtrans-59.3-48.7174.3-82.2177172.8-178.60111.8S720 G756 P757 Q764S720-K760 PolarHBondContact O-NZ 2.74Å; G756-K760 WeakPolarHBondContact O-CB 3.23Å; G756-K760 WeakPolarHBondContact O-CG 3.29Å; G756-K760 PolarHBondContact O-N 3.29Å; P757-K760 WeakPolarHBondContact O-CB 3.35Å; P757-K760 PolarHBondContact O-N 3.4Å; K760-Q764 WeakPolarHBondContact O-CB 3.32Å; K760-Q764 PolarHBondContact O-N 3.36Å
761I91.3Very high85.6Confident2 Ų260.3 Ų60.31%0.0132%0.316CS..Hα-helixtrans-63.6-53.8-179.4-65.9165.9000109.4V716 L719 C722 F729 L739 L753 P757 A763 Q764 V765V716-I761 HydrophobicContact CG1-CD1 3.96Å; V716-I761 HydrophobicContact CG2-CD1 4.27Å; V716-I761 HydrophobicContact CG2-CG1 4.49Å; V716-I761 HydrophobicContact CG2-CG2 4.47Å; L719-I761 HydrophobicContact CD1-CG1 3.92Å; C722-I761 HydrophobicContact CB-CD1 4.45Å; F729-I761 HydrophobicContact CE2-CD1 3.88Å; F729-I761 HydrophobicContact CZ-CD1 3.86Å; F729-I761 HydrophobicContact CZ-CG2 4.19Å; L739-I761 HydrophobicContact CD1-CG2 4.29Å; L753-I761 HydrophobicContact CD2-CD1 3.67Å; P757-I761 WeakPolarHBondContact O-CG1 3.43Å; P757-I761 PolarHBondContact O-N 3.04Å; I761-A763 VanDerWaalsContact C-N 3.34Å; I761-A763 PolarHBondContact O-N 3.03Å; I761-Q764 PolarHBondContact O-N 3.38Å; I761-Q764 VanDerWaalsContact O-N 3.09Å; I761-V765 HydrophobicContact CG2-CG2 4.21Å; I761-V765 VanDerWaalsContact O-CG2 3.31Å; I761-V765 WeakPolarHBondContact O-CG2 3.36Å; I761-V765 PolarHBondContact O-N 2.98Å
762R89.8Confident83.5Confident44 Ų4463.3 Ų63.317%0.16634%0.335CS..Hα-helixtrans-58.3-41.4178.5-78.5178.159.9-118.78.5113.2E744 L747 A758 Q764 V765 A766 Y774E744-R762 IonicContact OE2-CZ 2.61Å; E744-R762 IonicContact OE2-NH1 3.19Å; E744-R762 PolarHBondContact OE2-NH1 2.67Å; E744-R762 IonicContact OE2-NH2 3.54Å; L747-R762 VanDerWaalsContact CD1-CD 3.41Å; L747-R762 HydrophobicContact CD1-CG 3.55Å; A758-R762 PolarHBondContact O-N 2.81Å; A758-R762 VanDerWaalsContact O-N 3.1Å; R762-Q764 PolarHBondContact O-N 3.47Å; R762-V765 PolarHBondContact O-N 3.46Å; R762-A766 VanDerWaalsContact O-CB 3.29Å; R762-A766 WeakPolarHBondContact O-CB 3.33Å; R762-A766 PolarHBondContact O-N 2.91Å; R762-Y774 PolarHBondContact NH1-OH 2.75Å; R762-Y774 PolarHBondContact NH2-OH 3.11Å; R762-Y774 VanDerWaalsContact NH2-OH 3.09Å
763A88.7Confident81.4Confident54 Ų5469.9 Ų69.945%0.44635%0.349SS..Hα-helixtrans-63.4-40.5176.100000112.3L759 I761 R767L759-A763 WeakPolarHBondContact O-CB 3.4Å; L759-A763 PolarHBondContact O-N 2.83Å; I761-A763 VanDerWaalsContact C-N 3.34Å; I761-A763 PolarHBondContact O-N 3.03Å; A763-R767 VanDerWaalsContact O-CG 3.23Å; A763-R767 WeakPolarHBondContact O-CG 3.33Å; A763-R767 PolarHBondContact O-N 3.28Å
764Q88.1Confident78.8Confident50 Ų5076.2 Ų76.223%0.23437%0.373CS..Hα-helixtrans-74.5-36.7179.4-170.177.4-24.600112.4F715 L719 K760 I761 R762 R767 R768F715-Q764 HydrophobicContact CE2-CB 4.32Å; F715-Q764 HydrophobicContact CE2-CG 3.45Å; F715-Q764 VanDerWaalsContact CE2-CG 3.45Å; F715-Q764 HydrophobicContact CZ-CB 3.84Å; F715-Q764 HydrophobicContact CZ-CG 3.48Å; F715-Q764 VanDerWaalsContact CZ-CG 3.48Å; L719-Q764 HydrophobicContact CD1-CB 4.3Å; L719-Q764 HydrophobicContact CD2-CB 4.33Å; L719-Q764 HydrophobicContact CD2-CG 4.07Å; K760-Q764 WeakPolarHBondContact O-CB 3.32Å; K760-Q764 PolarHBondContact O-N 3.36Å; I761-Q764 PolarHBondContact O-N 3.38Å; I761-Q764 VanDerWaalsContact O-N 3.09Å; R762-Q764 PolarHBondContact O-N 3.47Å; Q764-R767 WeakPolarHBondContact O-CB 3.38Å; Q764-R767 PolarHBondContact O-N 3.28Å; Q764-R768 PolarHBondContact O-N 2.86Å; Q764-R768 VanDerWaalsContact O-N 3.08Å
765V90.1Very high76.4Confident8 Ų877.5 Ų77.55%0.04839%0.391CS..Hα-helixtrans-60.8-50.3171.8171.30000110.2F715 L739 I761 R762 R767 R768 L769F715-V765 HydrophobicContact CE1-CG2 3.68Å; F715-V765 HydrophobicContact CZ-CG2 4.04Å; L739-V765 HydrophobicContact CD1-CG2 3.88Å; L739-V765 HydrophobicContact CD2-CG2 3.81Å; L739-V765 HydrophobicContact CG-CG1 4.33Å; L739-V765 HydrophobicContact CG-CG2 3.72Å; I761-V765 HydrophobicContact CG2-CG2 4.21Å; I761-V765 VanDerWaalsContact O-CG2 3.31Å; I761-V765 WeakPolarHBondContact O-CG2 3.36Å; I761-V765 PolarHBondContact O-N 2.98Å; R762-V765 PolarHBondContact O-N 3.46Å; V765-R767 PolarHBondContact O-N 3.4Å; V765-R768 PolarHBondContact O-N 3.27Å; V765-L769 HydrophobicContact CG1-CD1 3.57Å; V765-L769 HydrophobicContact CG1-CG 4.24Å; V765-L769 WeakPolarHBondContact O-CG 3.26Å; V765-L769 PolarHBondContact O-N 3.43Å
766A85.3Confident74Confident30 Ų3077 Ų7725%0.24840%0.4CS..Hα-helixtrans-62.2-27.7176.100000113.7R762 G770 Y774R762-A766 VanDerWaalsContact O-CB 3.29Å; R762-A766 WeakPolarHBondContact O-CB 3.33Å; R762-A766 PolarHBondContact O-N 2.91Å; A766-G770 PolarHBondContact O-N 2.95Å; A766-Y774 HydrophobicContact CB-CD2 4.35Å
767R84.4Confident71.5Confident187 Ų18780.1 Ų80.171%0.70642%0.416SS*.Hα-helixtrans-71.9-34.1171.9-77175.278.6-149.58.8113.1A763 Q764 V765A763-R767 VanDerWaalsContact O-CG 3.23Å; A763-R767 WeakPolarHBondContact O-CG 3.33Å; A763-R767 PolarHBondContact O-N 3.28Å; Q764-R767 WeakPolarHBondContact O-CB 3.38Å; Q764-R767 PolarHBondContact O-N 3.28Å; V765-R767 PolarHBondContact O-N 3.4Å
768R82.1Confident68.5Low123 Ų12388.3 Ų88.346%0.46445%0.45SS..Hα-helixtrans-77.9-43.1176.1-72.2-175.4174.9-89.810.6112.2V704 Q764 V765 G770V704-R768 HydrophobicContact CG2-CB 3.69Å; Q764-R768 PolarHBondContact O-N 2.86Å; Q764-R768 VanDerWaalsContact O-N 3.08Å; V765-R768 PolarHBondContact O-N 3.27Å; R768-G770 PolarHBondContact O-N 3.09Å
769L80.9Confident65.8Low57 Ų5794.6 Ų94.630%0.29849%0.491SS..THydrogen-bonded Turntrans-66.3-13.6176.8-69.4170.2000114.7V704 P740 V765V704-L769 HydrophobicContact CB-CD2 3.77Å; V704-L769 HydrophobicContact CB-CG 4.42Å; V704-L769 HydrophobicContact CG1-CD2 4.35Å; V704-L769 HydrophobicContact CG2-CD2 4.05Å; V704-L769 HydrophobicContact CG2-CG 4.3Å; P740-L769 HydrophobicContact CB-CD1 3.72Å; P740-L769 HydrophobicContact CG-CD1 3.95Å; P740-L769 HydrophobicContact CG-CD2 4.14Å; V765-L769 HydrophobicContact CG1-CD1 3.57Å; V765-L769 HydrophobicContact CG1-CG 4.24Å; V765-L769 WeakPolarHBondContact O-CG 3.26Å; V765-L769 PolarHBondContact O-N 3.43Å
770G60.3Low63.1Low45 Ų4597.7 Ų97.746%0.46451%0.512SS..THydrogen-bonded Turntrans67.471.1162.900000116.1A766 R768 V772A766-G770 PolarHBondContact O-N 2.95Å; R768-G770 PolarHBondContact O-N 3.09Å; G770-V772 VanDerWaalsContact C-N 3.27Å; G770-V772 PolarHBondContact O-N 2.91Å
771R55.5Low60.3Low162 Ų16297.4 Ų97.461%0.61153%0.527SS*.SBendtrans64.219.7171.2-61.6-175.2166.9-160-4.7116.2H188H188-R771 PolarHBondContact CD2-NH2 3.35Å; H188-R771 VanDerWaalsContact CD2-NH2 3.35Å; H188-R771 PolarHBondContact CE1-NH2 3.1Å; H188-R771 PolarHBondContact ND1-NH2 2.79Å; H188-R771 PolarHBondContact NE2-NH1 3.17Å; H188-R771 PolarHBondContact NE2-NH2 3.07Å
772V43.8Very low57.5Low76 Ų76104.8 Ų104.846%0.46157%0.566SS.*SBendtrans-105.5125.3168.7-1780000107.9G770G770-V772 VanDerWaalsContact C-N 3.27Å; G770-V772 PolarHBondContact O-N 2.91Å
773F41.7Very low54.8Low189 Ų189108.4 Ų108.483%0.82960%0.595SS**  trans53.682.5-178.4-49.1-55.2000118.1
774Y37.8Very low52Low140 Ų140113.6 Ų113.655%0.54962%0.615SS.*  trans-136.556.1145.6-147.5-84000111.2R762 A766R762-Y774 PolarHBondContact NH1-OH 2.75Å; R762-Y774 PolarHBondContact NH2-OH 3.11Å; R762-Y774 VanDerWaalsContact NH2-OH 3.09Å; A766-Y774 HydrophobicContact CB-CD2 4.35Å
775V40Very low49.4Very low151 Ų151120 Ų12092%0.91564%0.644SS**  trans-130.567.4169.3-170.50000108.4
776A40.1Very low46.7Very low79 Ų79124.9 Ų124.965%0.65368%0.676SS**  trans-140.6154.7165.700000107.8
777S36.6Very low44.2Very low107 Ų107129 Ų12975%0.74870%0.701SS**SBendtrans65.245.5177.9-52.60000117.2
778F28Very low41.6Very low189 Ų189126.7 Ų126.783%0.82971%0.707SS**  trans-142.9116.9143.9-93.6-72.3000110.1V780F778-V780 PolarHBondContact O-N 2.88Å
779P36.3Very low39Very low132 Ų132129 Ų12986%0.85773%0.728SS**  trans-78.582.6177.832.1-34000110.6A781P779-A781 PolarHBondContact O-N 3.41Å
780V33.4Very low36.8Very low132 Ų132137.4 Ų137.480%0.876%0.756SS**  trans-73.7115.31671800000108F778 L782F778-V780 PolarHBondContact O-N 2.88Å; V780-L782 PolarHBondContact O-N 3.45Å
781A32.3Very low35.3Very low89 Ų89139.6 Ų139.674%0.73677%0.77SS**  trans-56.3130.5-175.400000112.4P779P779-A781 PolarHBondContact O-N 3.41Å
782L31.6Very low34.3Very low156 Ų156137.6 Ų137.682%0.81778%0.778SS**  trans-63.7126.6166.7-77.4163.7000108.9V780 L784V780-L782 PolarHBondContact O-N 3.45Å; L782-L784 PolarHBondContact O-N 3.37Å
783P33.9Very low33.6Very low120 Ų120143.1 Ų143.178%0.77980%0.799SS**  trans-70.2102.2167.628.8-31.4000108.2Q785P783-Q785 PolarHBondContact O-N 3.28Å
784L30.7Very low33Very low164 Ų164144.1 Ų144.186%0.85980%0.797SS**PPolyproline II helixtrans-53127.2170.5-67.9170.3000109.1L782L782-L784 PolarHBondContact O-N 3.37Å
785Q33.4Very low32.4Very low184 Ų184144.3 Ų144.386%0.8680%0.802SS**PPolyproline II helixtrans-69130.4166.3-67.4-173.7-76.300108P783P783-Q785 PolarHBondContact O-N 3.28Å
786P33.5Very low31.8Very low111 Ų111145.6 Ų145.672%0.72180%0.804SS**PPolyproline II helixtrans-65.3139.9171.228.5-33.6000109.1T788P786-T788 PolarHBondContact O-N 3.35Å
787P32.3Very low31.1Very low117 Ų117145 Ų14576%0.7681%0.805SS**PPolyproline II helixtrans-62.3137.5172.527.2-33.8000109.6L789P787-L789 PolarHBondContact O-N 2.66Å
788T29.6Very low30.5Very low137 Ų137146.8 Ų146.884%0.8481%0.811SS**  trans-65.7102.7173.936.60000110.3P786 R790P786-T788 PolarHBondContact O-N 3.35Å; T788-R790 PolarHBondContact O-N 3.27Å
789L27.1Very low30.5Very low173 Ų173141.1 Ų141.191%0.90681%0.806SS**  trans-59.4107.3164.2-75.3169.4000109.1P787P787-L789 PolarHBondContact O-N 2.66Å
790R34.2Very low30Very low232 Ų232144.3 Ų144.388%0.87581%0.81SS**PPolyproline II helixtrans-77.5141.3157-84.1-164.1167.2-159.6-2.4109.1T788T788-R790 PolarHBondContact O-N 3.27Å
791A29.1Very low29.7Very low92 Ų92146.4 Ų146.476%0.7681%0.811SS**PPolyproline II helixtrans-66.1159.3168.900000110.3
792P34.8Very low30.6Very low120 Ų120146.8 Ų146.878%0.77981%0.806SS**PPolyproline II helixtrans-82.5145.9-157.832.2-36000113.9
793E28.3Very low30.3Very low192 Ų192147.4 Ų147.490%0.89781%0.809SS**  trans-105.1132.2155.9-67.1178.310900107.9
794R29.8Very low30.1Very low210 Ų210146.7 Ų146.779%0.79281%0.807SS**  trans-129.9125.2168.7-84.1-168.591.6153.63.2110.8
795E24.6Very low30.9Very low143 Ų143144.3 Ų144.367%0.66880%0.801SS**  trans71.596.2142.8-68.2167.9-146.100119.2
796L27.9Very low30.5Very low179 Ų179141 Ų14194%0.93779%0.794SS**  60.8114108.1-16075.6000119.2
797G24.7Very low30.3Very low67 Ų67141.6 Ų141.669%0.69180%0.796SS**  trans158.8135.7168.400000108.3
798T25.2Very low30Very low143 Ų143140.4 Ų140.488%0.87780%0.796SS**  cis-146.5155.22.6-650000107.9
799G26.7Very low29.9Very low70 Ų70140.5 Ų140.572%0.72280%0.797SS**  trans-118.1131.4170.900000111.5
800E27.1Very low29.8Very low199 Ų199137.2 Ų137.293%0.9379%0.788SS**  trans-154.8168.5158.8-121.4-178.3137.300110.2
801Q26.1Very low30.5Very low177 Ų177130.8 Ų130.883%0.82778%0.776SS**  trans-134.1-160.4-167.3-151.4-160.2-13.300110.8
802P51.3Low30.5Very low97 Ų97137.6 Ų137.663%0.6378%0.784SS**  -84.7176.3-101.538.5-27.4000114.9
803L25.9Very low30.2Very low168 Ų168135.5 Ų135.588%0.8878%0.784SS**  trans175157.2130.6-94.7161.5000113.2
804S30Very low30.2Very low106 Ų106130.1 Ų130.174%0.74178%0.78SS**  trans-121.3176.1165.5-51.40000107.7
805P47.8Very low30.3Very low113 Ų113123.3 Ų123.373%0.73478%0.775SS**  cis-142.2-145.17.443-21.1000114.3
806T25.5Very low30.6Very low114 Ų114125.2 Ų125.270%0.69978%0.784SS**  trans94.4104.4152.712.80000122.7
807T27.3Very low30.6Very low124 Ų124121.5 Ų121.576%0.76178%0.778SS**  trans46.5123.8134.155.20000124.9
808A27.7Very low30.9Very low93 Ų93125.6 Ų125.677%0.76978%0.784SS**  trans52.3136.9130.600000120.8
809T26.8Very low31.2Very low139 Ų139123 Ų12385%0.85378%0.777SS**  -165.6169.660.9-57.30000112.4
810S25.7Very low31.4Very low104 Ų104123.4 Ų123.473%0.72778%0.781SS**  trans-77.8-168.5174.5-1370000112.8
811P48Very low31.5Very low96 Ų96122.4 Ų122.462%0.62378%0.777SS**  cis-141.6-173.4-0.930.2-4000117.5
812Y29.1Very low31.6Very low236 Ų236119.7 Ų119.793%0.92577%0.772SS**  trans65.1140.9169.4-72.2-84.9000118.1
813G28.2Very low30.4Very low76 Ų76120.5 Ų120.578%0.78478%0.78SS**  cis171.8160.5-7.100000110
814G28.7Very low31.4Very low78 Ų78118.4 Ų118.480%0.80478%0.777SS**  cis174.8170.8-6.600000111.5
815G31.1Very low31.3Very low67 Ų67120.4 Ų120.469%0.69177%0.772SS**  trans71.1144.116000000119
816H31.5Very low30.7Very low184 Ų184124.4 Ų124.485%0.85278%0.781SS**  cis-153.8148-7.9-90.7-87.1000110.3
817A28.6Very low30.9Very low100 Ų100125.7 Ų125.783%0.82678%0.779SS**  trans-149.8112.3153.700000109.3
818L31.5Very low31.1Very low153 Ų153126.9 Ų126.980%0.80178%0.781SS**  trans-96.5131.9167-72.6149.1000106.6
819A31.6Very low31.3Very low90 Ų90126.1 Ų126.174%0.74478%0.781SS**  cis71.781.939.900000113
820G29.1Very low31.4Very low78 Ų78124.9 Ų124.980%0.80477%0.774SS**  trans-97.996167.700000111.6
821Q29.5Very low31.6Very low178 Ų178127.6 Ų127.683%0.83278%0.78SS**SBendtrans58.2133163.6-59.5-169.2-5.400120.5
822T28.3Very low30.8Very low119 Ų119126.8 Ų126.873%0.7378%0.781SS**  trans45.6102.1150.755.90000118.3
823S27.4Very low30.9Very low115 Ų115122.9 Ų122.980%0.80478%0.775SS**  86.4144.874.3-75.70000113.7
824P44.9Very low31.1Very low124 Ų124126.8 Ų126.881%0.80578%0.777SS**  trans-135.9-149.6-13543.1-24.5000112.9
825K28.4Very low31.9Very low147 Ų147129 Ų12964%0.63978%0.778SS**  trans107.593.7150.2-160.1-174174.9-151.70115.6E827K825-E827 WeakPolarHBondContact CE-OE2 3.26Å; K825-E827 VanDerWaalsContact NZ-CD 3.35Å; K825-E827 IonicContact NZ-OE1 3.79Å; K825-E827 IonicContact NZ-OE2 3.27Å; K825-E827 PolarHBondContact NZ-OE2 3.14Å
826Q35.2Very low31.9Very low197 Ų197129.7 Ų129.792%0.92179%0.785SS**  trans-64.4134.7152.6179.1-175.634.600109.4
827E31Very low32Very low141 Ų141125.6 Ų125.666%0.65978%0.783SS**  trans-140.2114.4172-173.3155.188.600111.7K825K825-E827 WeakPolarHBondContact CE-OE2 3.26Å; K825-E827 VanDerWaalsContact NZ-CD 3.35Å; K825-E827 IonicContact NZ-OE1 3.79Å; K825-E827 IonicContact NZ-OE2 3.27Å; K825-E827 PolarHBondContact NZ-OE2 3.14Å
828N30.3Very low32.8Very low150 Ų150126.8 Ų126.880%0.80278%0.782SS**  trans26.7137.5132.3-152.219.6000120.4
829G31.4Very low32.8Very low76 Ų76126.6 Ų126.678%0.78478%0.782SS**  trans172.349.5174.800000121.4
830T29.6Very low33.7Very low114 Ų114127.2 Ų127.270%0.69978%0.778SS**  trans-11.6130.8151.6-56.30000121.2
831L31.1Very low34Very low161 Ų161128.1 Ų128.184%0.84377%0.772SS**  trans71.6131.7149.3-85165000124.6
832A30.2Very low34.3Very low79 Ų79128.3 Ų128.365%0.65377%0.773SS**  trans84.1120.6133.200000123.7
833L31.1Very low35.2Very low154 Ų154127.6 Ų127.681%0.80677%0.77SS**  trans68.9112.1141-63.7168.4000121.7
834L33Very low35.7Very low157 Ų157129.7 Ų129.782%0.82277%0.772SS**  20.4155.9125-63.6176.1000121.5
835P45.9Very low35.4Very low126 Ų126133.5 Ų133.582%0.81880%0.799SS**  cis-131.5174.4-739.5-23.5000114.6
836G30Very low35.8Very low81 Ų81132.9 Ų132.984%0.83581%0.807SS**  trans160.3125.6162.200000116
837A34.7Very low35.8Very low98 Ų98129.5 Ų129.581%0.8180%0.801SS**  trans-99.7162.5162.300000108
838P45.5Very low36.1Very low125 Ų125128.8 Ų128.881%0.81281%0.809SS**  cis-143.1-172.737.940.3-18.8000117.3
839D31.3Very low36.4Very low148 Ų148127.6 Ų127.679%0.79181%0.81SS**  trans-42.7163.1155.3-113.2-24.2000113.4
840P49.5Very low36.7Very low104 Ų104130.8 Ų130.868%0.67581%0.811SS**  cis-145.6-179.63941.3-21.3000118.4
841S35.1Very low37.2Very low97 Ų97131.9 Ų131.968%0.67882%0.819SS**  trans67.5124.515550.10000117.7
842Q37.3Very low37.6Very low181 Ų181129.9 Ų129.985%0.84682%0.817SS**  58.5140.263.9-73.9-160.4-0.800114.8
843P45.7Very low38.2Very low104 Ų104133.8 Ų133.868%0.67583%0.83SS**  -132.5-169.6-53.634.5-15.8000109.9
844L38Very low38.8Very low160 Ų160132.1 Ų132.184%0.83883%0.832SS**  trans155143.7134.9-83.8161.2000112
845C39.7Very low39.3Very low204 Ų204129.8 Ų129.8100%1.37883%0.832SS**  trans73.80177.4-58.80000116.1

Retrieved 845 of 845 residues in 616.9 ms (Link to these results)