A0A087XRJ9_POEFO Loading...

Family with sequence similarity 53 member C

AlphaFold DB , UniProt , Accession A0A087XRJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 405 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
1M67.8Low79.3Confident175 Ų175115.2 Ų115.286%0.86258%0.577SS**  0-63.30-164-163.4-60.200111.2T3 L4 I5M1-T3 PolarHBondContact O-N 3Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-I5 HydrophobicContact CG-CD1 4.37Å; M1-I5 PolarHBondContact O-N 3.26Å
2V76.9Confident78.3Confident110 Ų110118.8 Ų118.867%0.66759%0.591SS**Hα-helixtrans-53.5-43.1177-179.20000111.8L4 I5 T6V2-L4 PolarHBondContact O-N 3.48Å; V2-I5 WeakPolarHBondContact O-CB 3.48Å; V2-I5 PolarHBondContact O-N 2.63Å; V2-T6 HydrophobicContact CG1-CG2 4.5Å; V2-T6 PolarHBondContact O-N 3.43Å; V2-T6 PolarHBondContact O-OG1 3.18Å
3T83Confident77.2Confident101 Ų101117.5 Ų117.562%0.6260%0.6SS**Hα-helixtrans-52-47.3172.544.70000114.1M1 I5 T6 E7M1-T3 PolarHBondContact O-N 3Å; T3-I5 VanDerWaalsContact C-N 3.29Å; T3-I5 PolarHBondContact O-N 2.88Å; T3-T6 PolarHBondContact O-N 3.35Å; T3-T6 PolarHBondContact O-OG1 3.23Å; T3-T6 VanDerWaalsContact O-OG1 3.06Å; T3-E7 VanDerWaalsContact O-CB 3.28Å; T3-E7 WeakPolarHBondContact O-CB 3.31Å; T3-E7 PolarHBondContact O-N 3.07Å
4L85.1Confident76.1Confident111 Ų111119.3 Ų119.358%0.58161%0.611SS**Hα-helixtrans-66.2-32.7177.4-60.5171.6000111.6M1 V2 Q8M1-L4 PolarHBondContact O-N 3.19Å; V2-L4 PolarHBondContact O-N 3.48Å; L4-Q8 VanDerWaalsContact O-CB 3.23Å; L4-Q8 WeakPolarHBondContact O-CB 3.26Å; L4-Q8 PolarHBondContact O-N 2.94Å
5I85.6Confident74.8Confident95 Ų95121.7 Ų121.749%0.48762%0.618SS.*Hα-helixtrans-72.2-44.8178-63.2166.7000110.3M1 V2 T3 Q8 L9M1-I5 HydrophobicContact CG-CD1 4.37Å; M1-I5 PolarHBondContact O-N 3.26Å; V2-I5 WeakPolarHBondContact O-CB 3.48Å; V2-I5 PolarHBondContact O-N 2.63Å; T3-I5 VanDerWaalsContact C-N 3.29Å; T3-I5 PolarHBondContact O-N 2.88Å; I5-Q8 PolarHBondContact O-N 3.5Å; I5-L9 HydrophobicContact CG2-CD1 3.99Å; I5-L9 WeakPolarHBondContact O-CB 3.45Å; I5-L9 VanDerWaalsContact O-CG 3.25Å; I5-L9 WeakPolarHBondContact O-CG 3.18Å; I5-L9 PolarHBondContact O-N 3.08Å
6T83.9Confident73.4Confident85 Ų85125.3 Ų125.352%0.52163%0.632SS.*Hα-helixtrans-68.4-37.8177.352.80000112.1V2 T3 R10V2-T6 HydrophobicContact CG1-CG2 4.5Å; V2-T6 PolarHBondContact O-N 3.43Å; V2-T6 PolarHBondContact O-OG1 3.18Å; T3-T6 PolarHBondContact O-N 3.35Å; T3-T6 PolarHBondContact O-OG1 3.23Å; T3-T6 VanDerWaalsContact O-OG1 3.06Å; T6-R10 WeakPolarHBondContact O-CB 3.38Å; T6-R10 PolarHBondContact O-N 3.09Å
7E81.6Confident72.3Confident74 Ų74123.8 Ų123.835%0.34663%0.633SS.*Hα-helixtrans-62.6-46.6173.8-164-150.4172.700111.7T3 R10 K11T3-E7 VanDerWaalsContact O-CB 3.28Å; T3-E7 WeakPolarHBondContact O-CB 3.31Å; T3-E7 PolarHBondContact O-N 3.07Å; E7-R10 WeakPolarHBondContact O-CB 3.47Å; E7-R10 PolarHBondContact O-N 3.49Å; E7-K11 HydrophobicContact CG-CD 4.38Å; E7-K11 WeakPolarHBondContact O-CG 3.47Å; E7-K11 PolarHBondContact O-N 3Å; E7-K11 WeakPolarHBondContact OE1-CE 3.46Å; E7-K11 IonicContact OE1-NZ 2.62Å; E7-K11 PolarHBondContact OE1-NZ 2.9Å; E7-K11 IonicContact OE2-NZ 3.81Å
8Q81.3Confident70.9Confident105 Ų105129.4 Ų129.449%0.49165%0.647SS.*Hα-helixtrans-71.5-30.8-178.3-152.575.5-25.900112.6L4 I5 Q12L4-Q8 VanDerWaalsContact O-CB 3.23Å; L4-Q8 WeakPolarHBondContact O-CB 3.26Å; L4-Q8 PolarHBondContact O-N 2.94Å; I5-Q8 PolarHBondContact O-N 3.5Å; Q8-Q12 WeakPolarHBondContact O-CG 3.23Å; Q8-Q12 PolarHBondContact O-N 2.86Å
9L77.9Confident69.7Low102 Ų102131.8 Ų131.853%0.53466%0.655SS.*Hα-helixtrans-67.3-42.1169-74169.8000111.5I5 K11 Q12 S13I5-L9 HydrophobicContact CG2-CD1 3.99Å; I5-L9 WeakPolarHBondContact O-CB 3.45Å; I5-L9 VanDerWaalsContact O-CG 3.25Å; I5-L9 WeakPolarHBondContact O-CG 3.18Å; I5-L9 PolarHBondContact O-N 3.08Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 2.62Å; L9-Q12 CarbonylContact O-C 2.83Å; L9-Q12 PolarHBondContact O-N 2.67Å; L9-S13 WeakPolarHBondContact O-CB 3.28Å; L9-S13 PolarHBondContact O-N 2.83Å; L9-S13 VanDerWaalsContact O-N 3.08Å
10R75.3Confident68.4Low181 Ų181135.8 Ų135.868%0.68367%0.669SS**Hα-helixtrans-59.1-43.5173.5-169.7-179.672.8138.4-0.9111.2T6 E7 Q12 S13T6-R10 WeakPolarHBondContact O-CB 3.38Å; T6-R10 PolarHBondContact O-N 3.09Å; E7-R10 WeakPolarHBondContact O-CB 3.47Å; E7-R10 PolarHBondContact O-N 3.49Å; R10-Q12 PolarHBondContact O-N 3.36Å; R10-S13 PolarHBondContact O-N 3.15Å; R10-S13 VanDerWaalsContact O-N 3.12Å
11K73.8Confident67.3Low128 Ų128133.5 Ų133.556%0.55767%0.671SS**THydrogen-bonded Turntrans-65.3-11.7174.3-76.1168.7161.9170.90114.7E7 L9E7-K11 HydrophobicContact CG-CD 4.38Å; E7-K11 WeakPolarHBondContact O-CG 3.47Å; E7-K11 PolarHBondContact O-N 3Å; E7-K11 WeakPolarHBondContact OE1-CE 3.46Å; E7-K11 IonicContact OE1-NZ 2.62Å; E7-K11 PolarHBondContact OE1-NZ 2.9Å; E7-K11 IonicContact OE2-NZ 3.81Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 2.62Å
12Q67.6Low66.2Low159 Ų159135 Ų13574%0.74367%0.673SS**THydrogen-bonded Turntrans-106.2-5.4172.7-73-174.5-6.800113.6Q8 L9 R10Q8-Q12 WeakPolarHBondContact O-CG 3.23Å; Q8-Q12 PolarHBondContact O-N 2.86Å; L9-Q12 CarbonylContact O-C 2.83Å; L9-Q12 PolarHBondContact O-N 2.67Å; R10-Q12 PolarHBondContact O-N 3.36Å
13S63.9Low64.3Low102 Ų102136 Ų13671%0.71368%0.68SS**SBendtrans-108.36.3-171.6-171.90000113.9L9 R10L9-S13 WeakPolarHBondContact O-CB 3.28Å; L9-S13 PolarHBondContact O-N 2.83Å; L9-S13 VanDerWaalsContact O-N 3.08Å; R10-S13 PolarHBondContact O-N 3.15Å; R10-S13 VanDerWaalsContact O-N 3.12Å
14L61.8Low62.1Low142 Ų142140.6 Ų140.674%0.74369%0.692SS**  trans-138.497-174.3-165.178.5000110.4
15E56.1Low59.8Low155 Ų155141.9 Ų141.972%0.72470%0.699SS**  trans168.772.6135-16263.3-137.500110.3
16E52.7Low57.7Low179 Ų179142 Ų14284%0.83671%0.714SS**  trans-117.9105.3168.3-75.8-166.713900109.8Y18E16-Y18 PolarHBondContact O-N 3.08Å
17P54.2Low55.7Low100 Ų100143.3 Ų143.365%0.64973%0.727SS**  trans-70.4121.2-166.6-25.335.8000115.8H19P17-H19 PolarHBondContact O-N 3.12Å
18Y47.1Very low53.7Low225 Ų225146.6 Ų146.688%0.88275%0.752SS**SBendtrans-73.533175.6-93.6-96000114.9E16E16-Y18 PolarHBondContact O-N 3.08Å
19H48.3Very low51.7Low175 Ų175146.9 Ų146.981%0.8177%0.766SS**  trans-130.655.5-172.2-65.6-50.1000114.1P17P17-H19 PolarHBondContact O-N 3.12Å
20K45Very low49.8Very low212 Ų212150.1 Ų150.192%0.92278%0.782SS**  trans-146.646.3169.6-151.9172.5-176.8175.60115.1
21A43.7Very low48.2Very low88 Ų88147.2 Ų147.273%0.72779%0.787SS**SBendtrans-131.8-3-178.400000116.3
22F46.3Very low46.5Very low205 Ų205150.4 Ų150.490%0.89980%0.804SS**  trans-139.677.5-178.8-86.6-76.8000113.4
23T36.8Very low45.2Very low131 Ų131149.9 Ų149.980%0.80481%0.811SS**  trans-153.870.4161.3-37.70000111.1
24F37.4Very low44.5Very low198 Ų198148.1 Ų148.187%0.86881%0.809SS**  trans-96.8112.2162.6-168.1-94.3000108.4
25N36.8Very low43.3Very low138 Ų138147.1 Ų147.174%0.73881%0.814SS**  trans-75.7148.1-178.9-101.6-35.2000111.4
26A40.2Very low42.6Very low97 Ų97145.3 Ų145.380%0.80282%0.819SS**  trans-79.8131.4-174.500000112.8
27S43.2Very low42.4Very low114 Ų114142.4 Ų142.480%0.79782%0.815SS**  trans-17868.8146.160.80000113
28V38.4Very low41.7Very low142 Ų142144.2 Ų144.286%0.86183%0.825SS**  trans-136.3122.5161.1-176.60000108.6
29S38.8Very low41.4Very low112 Ų112140 Ų14078%0.78382%0.816SS**PPolyproline II helixtrans-71.2143.6-179.8-54.20000111.8
30L39.6Very low40.7Very low169 Ų169136.5 Ų136.589%0.88581%0.811SS**PPolyproline II helixtrans-66.8129.6171.2-64.7170.7000110.5
31P41.7Very low40.2Very low121 Ų121137.6 Ų137.679%0.78681%0.81SS**PPolyproline II helixtrans-79157.9158.533.7-32.3000110.7
32E36.5Very low39.8Very low195 Ų195138.6 Ų138.691%0.91181%0.811SS**  trans-80.1176.2-171.1-146.1169.7136.600113.9
33V41.9Very low39.2Very low147 Ų147134.4 Ų134.489%0.89181%0.808SS**SBendtrans-62.2132-174.4170.80000112.7
34G47.6Very low38.9Very low65 Ų65131.7 Ų131.767%0.6781%0.806SS**  trans97.170.5149.200000117.4
35S38Very low38.7Very low121 Ų121131.4 Ų131.485%0.84680%0.804SS**  trans-156.8131.3152.5-83.40000111.7
36S40.2Very low38.6Very low118 Ų118131.3 Ų131.383%0.82581%0.809SS**  trans-79.4124.3179.1-57.80000111.4T38S36-T38 PolarHBondContact O-N 3.02Å
37P48Very low38.3Very low118 Ų118133.1 Ų133.177%0.76681%0.81SS**  trans-80.1110.4178.530.3-32.9000111.7I39P37-I39 PolarHBondContact O-N 3.21Å
38T39.9Very low37.7Very low138 Ų138135.9 Ų135.985%0.84781%0.81SS**  trans-67.6113.9166.1-56.80000109.7S36 S40S36-T38 PolarHBondContact O-N 3.02Å; T38-S40 PolarHBondContact O-N 3.22Å
39I40.6Very low37.2Very low135 Ų135136.9 Ų136.969%0.69281%0.806SS**  trans-75.695.7-178.1-52.2178.3000110P37P37-I39 PolarHBondContact O-N 3.21Å
40S35.1Very low36.8Very low103 Ų103136.2 Ų136.272%0.7281%0.807SS**  trans-81.7117.3171.6-173.80000110.6T38 S42T38-S40 PolarHBondContact O-N 3.22Å; S40-S42 PolarHBondContact O-N 3.42Å
41W34.6Very low36.4Very low234 Ų234133.9 Ų133.989%0.88680%0.804SS**  trans-86.485.4176.1-74.861.5000110.3S43W41-S43 PolarHBondContact O-N 2.92Å
42S35.3Very low36Very low109 Ų109132.9 Ų132.976%0.76280%0.8SS**  trans-68.9110170.244.40000110.5S40 G44S40-S42 PolarHBondContact O-N 3.42Å; S42-G44 PolarHBondContact O-N 3.23Å; S42-G44 VanDerWaalsContact O-N 3.08Å
43S33.3Very low35.8Very low117 Ų117131.1 Ų131.182%0.81880%0.797SS**  trans-68.3107.8178.2-170.10000110.6W41 K45W41-S43 PolarHBondContact O-N 2.92Å; S43-K45 PolarHBondContact O-N 2.94Å
44G30.5Very low35.6Very low74 Ų74128.7 Ų128.776%0.76378%0.784SS**  trans-6890.5179.200000112.2S42S42-G44 PolarHBondContact O-N 3.23Å; S42-G44 VanDerWaalsContact O-N 3.08Å
45K33.7Very low34.9Very low192 Ų192132.4 Ų132.484%0.83578%0.784SS**  trans-83.1118177.8-149.8172.4-172.6178.60109.5S43S43-K45 PolarHBondContact O-N 2.94Å
46T34Very low34.5Very low137 Ų137134.9 Ų134.984%0.8478%0.782SS**  trans-73.5139.6179.142.70000111.7
47T33.6Very low33.9Very low134 Ų134133.8 Ų133.882%0.82278%0.775SS**  trans-141111.7174.7-57.70000110.9
48Q30.8Very low33Very low172 Ų172133.3 Ų133.380%0.80477%0.773SS**  trans-155.2144.7157.7-100.7-162.8-69.400106.1
49E28.3Very low32.5Very low164 Ų164136.1 Ų136.177%0.76677%0.774SS**  cis-160.9133.9-19.5-150.1171.7176.800107.9
50A29.8Very low31.9Very low98 Ų98133.4 Ų133.481%0.8177%0.771SS**  trans-161.5128.1169.200000110.4
51S30.8Very low31.7Very low119 Ų119136.8 Ų136.883%0.83278%0.775SS**  trans-69166.5165.7530000110.2
52S33.2Very low31.4Very low100 Ų100131.8 Ų131.870%0.69977%0.77SS**  cis-163.9136.431.9550000114
53D32.1Very low31.3Very low158 Ų158134.8 Ų134.885%0.84578%0.777SS**  trans63.2157.7136.2-82.28.6000122.5
54P39.2Very low31.1Very low96 Ų96133 Ų13362%0.62377%0.769SS**  trans-132.9-157-133.335-12.6000115.8
55H31.1Very low31Very low144 Ų144137.1 Ų137.167%0.66777%0.774SS**  trans85112.6176.8-62.3-92.2000115.7
56Q31.3Very low30.9Very low172 Ų172133.4 Ų133.480%0.80477%0.772SS**  89161.199.6-76.2178.51.500113.2
57S27.7Very low30.9Very low95 Ų95132.3 Ų132.366%0.66477%0.769SS**  cis-172.4158.8-30.8-175.40000107.6
58C29Very low30.7Very low109 Ų109133.6 Ų133.674%0.73677%0.765SS**  trans62.9119169.4-71.10000116.5
59K28.9Very low31.6Very low197 Ų197129.8 Ų129.886%0.85776%0.755SS**  87110.870-90.3-169.2173.1-177.90115.4
60A28.7Very low31.9Very low78 Ų78132.1 Ų132.165%0.64576%0.757SS**  85.1159.5126.700000121.2
61H30.4Very low33Very low174 Ų174132 Ų13281%0.80675%0.748SS**  trans70.1117-179.6-54.4-79.5000114.8
62V28.5Very low32.9Very low129 Ų129136.1 Ų136.178%0.78275%0.746SS**  cis75.692.735.6-170.80000113.8
63L31.5Very low32.8Very low172 Ų172136.3 Ų136.390%0.90175%0.747SS**  -152.3161.2123.9-148.468.4000109.6
64A29.3Very low32.8Very low79 Ų79139.4 Ų139.465%0.65375%0.747SS**  trans-112.5163.6-178.100000111.9
65N29.1Very low32.4Very low160 Ų160139.9 Ų139.986%0.85675%0.752SS**  trans-179.8139.2134.2-95.2-21.1000113.2
66S31.1Very low32.5Very low114 Ų114136.9 Ų136.980%0.79776%0.76SS**  trans57.9146.4156-94.70000120.4
67C33.8Very low32.7Very low115 Ų115136.4 Ų136.478%0.77776%0.758SS**  cis-153.3131.9-6.3-1530000110.9
68E31Very low33.3Very low160 Ų160137.2 Ų137.275%0.74876%0.761SS**  trans-74.8174158.2-81.1-69.3145.800109.3
69P48.2Very low33.9Very low92 Ų92138.8 Ų138.860%0.59776%0.762SS**  cis-152.2-176.431.7272.2000119.5
70W36.1Very low34.2Very low213 Ų213138.9 Ų138.981%0.80777%0.765SS**  trans107136.9156.3-66.397.9000117.3
71P51.6Low34.4Very low96 Ų96138.4 Ų138.462%0.62377%0.767SS**  -148.5-144.4-112.344.9-23000113.3
72R29.8Very low35Very low206 Ų206136.4 Ų136.478%0.77777%0.77SS**  trans109.592157.1-160.9155.8-74.4-175.6-1.9112.5
73S31.3Very low35.1Very low103 Ų103139 Ų13972%0.7277%0.773SS**  90.9145.591.9-79.10000113
74R32.2Very low35.5Very low224 Ų224137.2 Ų137.285%0.84577%0.769SS**  cis-164.7162.9-12.8-152.5-170.4-156.8-178.16107.6
75S30Very low35.8Very low105 Ų105138.8 Ų138.873%0.73478%0.776SS**  trans21133.2148.659.40000120.6
76G33.1Very low36.5Very low81 Ų81138.1 Ų138.184%0.83577%0.772SS**  cis153.2-172.93.600000112.7
77E35.1Very low37Very low163 Ų163138.7 Ų138.776%0.76277%0.77SS**  trans-104.3159.7171.4-150.2-161.8115.400109.7L79E77-L79 PolarHBondContact OE1-N 2.96Å
78P41Very low37.1Very low112 Ų112139.8 Ų139.873%0.72777%0.768SS**  -151.3138.8103.536.4-18.8000116.9
79L41.8Very low37.4Very low142 Ų142139 Ų13974%0.74377%0.77SS**  trans38.6116.3131.7-70.5162.4000120E77E77-L79 PolarHBondContact OE1-N 2.96Å
80Q35.6Very low36.8Very low199 Ų199139.5 Ų139.593%0.9378%0.775SS**  trans-148.2165.8133.4-126.3159.9103.200112.1
81G31.5Very low37.1Very low67 Ų67138.2 Ų138.269%0.69178%0.775SS**  trans-81.1178.2-158.700000117.1
82P44Very low36.8Very low133 Ų133143 Ų14386%0.86479%0.789SS**  trans-85.8138.4-172.333.7-34.3000113.3
83E30Very low37.6Very low182 Ų182138.8 Ų138.885%0.8579%0.792SS**  trans-114.5135.2157.9-172.1173-146.900109.8S85E83-S85 PolarHBondContact O-N 3.46Å
84V40.2Very low38.6Very low135 Ų135138.6 Ų138.682%0.81879%0.79SS**  trans-93.295.7-175.3-176.20000109.8
85S36.1Very low39.9Very low113 Ų113132.8 Ų132.879%0.7978%0.781SS**  trans-97.9110.8166.831.70000110.6E83E83-S85 PolarHBondContact O-N 3.46Å
86L43.3Very low41.5Very low146 Ų146132.7 Ų132.776%0.76478%0.778SS**  trans-69.1162.3177.4-16173.8000110.9
87T41.5Very low42.9Very low125 Ų125130.4 Ų130.477%0.76775%0.749SS**  trans71.799.816971.40000116.9
88N35.4Very low44.3Very low139 Ų139125 Ų12574%0.74373%0.728SS**  -156.4101.3108.5-162.7-17.3000110.5S90N88-S90 PolarHBondContact O-N 2.91Å
89N37.5Very low45.5Very low144 Ų144123.9 Ų123.977%0.7772%0.72SS**  trans-73.584.6166.2-78-0.8000107.9F91N89-F91 VanDerWaalsContact C-N 3.31Å; N89-F91 WeakPolarHBondContact O-CD2 3.34Å; N89-F91 PolarHBondContact O-N 3.02Å
90S36.8Very low46.6Very low102 Ų102126.1 Ų126.171%0.71372%0.724SS**  trans-67.790.1179.1-166.70000109.9N88 Q92N88-S90 PolarHBondContact O-N 2.91Å; S90-Q92 PolarHBondContact O-N 3.06Å
91F41.1Very low48Very low185 Ų185126.8 Ų126.881%0.81172%0.718SS**  trans-52.2129.6169.2-71.4-89.8000108.9N89 S93N89-F91 VanDerWaalsContact C-N 3.31Å; N89-F91 WeakPolarHBondContact O-CD2 3.34Å; N89-F91 PolarHBondContact O-N 3.02Å; F91-S93 PolarHBondContact O-N 3.32Å
92Q45.6Very low49.5Very low197 Ų197131 Ų13192%0.92172%0.72SS**  trans-59.2110.5-176.7-67.2-174.10.100109.9S90 S94S90-Q92 PolarHBondContact O-N 3.06Å; Q92-S94 PolarHBondContact O-N 3.43Å
93S46.4Very low50Low118 Ų118130.2 Ų130.283%0.82572%0.716SS**PPolyproline II helixtrans-68.5119.4-172.8-166.50000110.6F91F91-S93 PolarHBondContact O-N 3.32Å
94S52.4Low51.3Low99 Ų99132.1 Ų132.169%0.69272%0.715SS**PPolyproline II helixtrans-59.5140.9172.6-1680000110Q92Q92-S94 PolarHBondContact O-N 3.43Å
95P60.2Low52Low101 Ų101130.9 Ų130.966%0.65671%0.713SS**PPolyproline II helixtrans-57.7145.8-174.921.7-33.7000112.8
96P62.3Low52.9Low103 Ų103133.5 Ų133.567%0.66972%0.717SS**PPolyproline II helixtrans-78.4149.4-160.329.5-37.1000114.9H218 S219P96-H218 VanDerWaalsContact C-C 3.44Å; P96-H218 VanDerWaalsContact C-CA 3.48Å; P96-H218 HydrophobicContact CB-CB 4.06Å; P96-S219 CarbonylContact C-O 3.57Å
97P62.3Low53.1Low33 Ų33131.7 Ų131.721%0.21472%0.716CS.*  trans-8.8127.2155.41.5-1.3000135.8P99 S217 H218 S219P97-P99 WeakPolarHBondContact O-CD 3.39Å; P97-S217 VanDerWaalsContact CG-CA 3.48Å; P97-H218 VanDerWaalsContact C-CG 3.47Å; P97-H218 VanDerWaalsContact CA-ND1 3.28Å; P97-H218 WeakPolarHBondContact CA-ND1 3.22Å; P97-H218 HydrophobicContact CB-CB 2.31Å; P97-H218 WeakPolarHBondContact CB-CD2 3.28Å; P97-H218 HydrophobicContact CG-CB 2.28Å; P97-H218 PolarHBondContact O-ND1 3.13Å; P97-S219 CarbonylContact C-O 3.46Å; P97-S219 VanDerWaalsContact CA-CA 3.44Å; P97-S219 VanDerWaalsContact CA-O 3.28Å; P97-S219 WeakPolarHBondContact CA-O 3.31Å; P97-S219 VanDerWaalsContact O-O 3.13Å
98P64.3Low53.6Low51 Ų51130.6 Ų130.633%0.33171%0.709SS.*  trans-82.150.9-140.52.80000113.8S219 I220P98-S219 WeakPolarHBondContact CA-O 3.46Å; P98-S219 WeakPolarHBondContact CA-OG 3.25Å; P98-S219 WeakPolarHBondContact CD-OG 3.45Å; P98-S219 VanDerWaalsContact N-N 3.19Å; P98-S219 WeakPolarHBondContact O-CB 3.43Å; P98-S219 PolarHBondContact O-OG 3.42Å; P98-I220 VanDerWaalsContact CA-N 3.29Å; P98-I220 HydrophobicContact CB-CB 3.67Å; P98-I220 HydrophobicContact CB-CG1 3.45Å; P98-I220 VanDerWaalsContact CB-CG1 3.45Å; P98-I220 HydrophobicContact CB-CG2 3.71Å; P98-I220 WeakPolarHBondContact O-CG1 3.38Å
99P67.6Low54.1Low87 Ų87127.7 Ų127.757%0.56570%0.698SS**  trans-5.2101.7-140.66.4-27.2000116.1P97 R101P97-P99 WeakPolarHBondContact O-CD 3.39Å; P99-R101 PolarHBondContact O-N 3.17Å
100K63.7Low54.9Low189 Ų189128 Ų12882%0.82270%0.695SS**  trans-41.8101.4-176-77.5-176.6176.81770111.5H102 S219K100-H102 PolarHBondContact O-N 3.05Å; K100-S219 PolarHBondContact N-OG 2.96Å; K100-S219 VanDerWaalsContact N-OG 3.11Å
101R65.9Low55.8Low214 Ų214129.1 Ų129.181%0.80869%0.693SS**  trans-69.2118.6178.5-54.6-16978.5-138.81107.9P99 C103P99-R101 PolarHBondContact O-N 3.17Å; R101-C103 PolarHBondContact O-N 3.06Å
102H63.5Low56.2Low155 Ų155125 Ų12572%0.71868%0.679SS**  trans-55.3110.6177166.983000110.1K100 R104K100-H102 PolarHBondContact O-N 3.05Å; H102-R104 PolarHBondContact O-N 3.42Å
103C53.5Low56.4Low116 Ų116118.8 Ų118.878%0.78466%0.657SS**  trans-65.8104.1172.9-63.10000108.3R101R101-C103 PolarHBondContact O-N 3.06Å
104R58.6Low56.9Low222 Ų222121 Ų12184%0.83865%0.654SS**  trans-64.9142.6169.7-82.2-164.9161.9-170.4-5.2109.8H102H102-R104 PolarHBondContact O-N 3.42Å
105S54.6Low56.6Low109 Ų109119.8 Ų119.876%0.76265%0.645SS**  trans-60156.8-161.6-46.90000114.5S107S105-S107 PolarHBondContact O-N 3.28Å; S105-S107 VanDerWaalsContact O-N 3.08Å
106L55.2Low56.2Low168 Ų168124.5 Ų124.588%0.8865%0.65SS**  trans-56.4108.8168.1-62.7166.8000110.4
107S46.7Very low55.7Low108 Ų108124.4 Ų124.476%0.75565%0.652SS**  trans-94.992.815258.90000107.5S105 P109S105-S107 PolarHBondContact O-N 3.28Å; S105-S107 VanDerWaalsContact O-N 3.08Å; S107-P109 WeakPolarHBondContact O-CD 3.21Å
108V51Low55.5Low102 Ų102126.1 Ų126.162%0.61867%0.669SS**  trans-64.3127.6165.6177.10000107E110V108-E110 PolarHBondContact O-N 3.48Å
109P46.9Very low55Low78 Ų78134.4 Ų134.451%0.50669%0.694SS.*  trans-68.4115.2169.4-1630.7000108.6S107 D111 L112S107-P109 WeakPolarHBondContact O-CD 3.21Å; P109-D111 PolarHBondContact O-N 2.89Å; P109-L112 PolarHBondContact O-N 3.03Å
110E54.6Low54.6Low150 Ų150137.2 Ų137.270%0.70170%0.699SS**G310 helixtrans-56.2-26.6-178.1-159.960.2-15100112.4V108 L112 S113V108-E110 PolarHBondContact O-N 3.48Å; E110-L112 PolarHBondContact O-N 3.1Å; E110-L112 VanDerWaalsContact O-N 3.13Å; E110-S113 VanDerWaalsContact O-CB 3.26Å; E110-S113 WeakPolarHBondContact O-CB 3.49Å; E110-S113 PolarHBondContact O-N 3.27Å; E110-S113 PolarHBondContact O-OG 2.93Å
111D54.8Low54.1Low127 Ų127130.8 Ų130.868%0.67968%0.677SS**G310 helixtrans-57.2-22.5175.7-134.59.5000113.9P109 S113 Q114 C115P109-D111 PolarHBondContact O-N 2.89Å; D111-S113 PolarHBondContact O-N 3.22Å; D111-Q114 PolarHBondContact O-N 2.89Å; D111-C115 PolarHBondContact O-N 3.33Å
112L50.3Low53.7Low98 Ų98126.2 Ų126.251%0.51368%0.678SS.*G310 helixtrans-78.1-1.3174.2-66.9178.9000113.9P109 E110 C115 R116P109-L112 PolarHBondContact O-N 3.03Å; E110-L112 PolarHBondContact O-N 3.1Å; E110-L112 VanDerWaalsContact O-N 3.13Å; L112-C115 HydrophobicContact CD2-CB 4.06Å; L112-R116 PolarHBondContact O-NH1 3.32Å
113S49.9Very low53.2Low67 Ų67123.8 Ų123.847%0.46968%0.684SS.*THydrogen-bonded Turntrans-70-45163.463.40000111E110 D111 C115 R116E110-S113 VanDerWaalsContact O-CB 3.26Å; E110-S113 WeakPolarHBondContact O-CB 3.49Å; E110-S113 PolarHBondContact O-N 3.27Å; E110-S113 PolarHBondContact O-OG 2.93Å; D111-S113 PolarHBondContact O-N 3.22Å; S113-C115 VanDerWaalsContact C-N 3.34Å; S113-C115 PolarHBondContact O-N 3.26Å; S113-R116 WeakPolarHBondContact O-CG 3.16Å
114Q55.8Low53.1Low163 Ų163120.7 Ų120.776%0.76266%0.664SS**THydrogen-bonded Turntrans-66.5-35177.5-157.374.814.500111.6D111 R116D111-Q114 PolarHBondContact O-N 2.89Å; Q114-R116 PolarHBondContact O-N 3.1Å
115C48Very low53.3Low75 Ų75119.8 Ų119.851%0.50767%0.666SS.*  trans-76.545.7176.8-61.20000114.3D111 L112 S113 S117D111-C115 PolarHBondContact O-N 3.33Å; L112-C115 HydrophobicContact CD2-CB 4.06Å; S113-C115 VanDerWaalsContact C-N 3.34Å; S113-C115 PolarHBondContact O-N 3.26Å; C115-S117 PolarHBondContact O-N 2.88Å
116R50.4Low53.5Low199 Ų199120.4 Ų120.475%0.75167%0.665SS**  trans-82.945.8161.5-72.2-69.8-177.6-73.6-3.6111.6L112 S113 Q114 A118L112-R116 PolarHBondContact O-NH1 3.32Å; S113-R116 WeakPolarHBondContact O-CG 3.16Å; Q114-R116 PolarHBondContact O-N 3.1Å; R116-A118 PolarHBondContact O-N 2.89Å
117S51.2Low53.3Low101 Ų101121.9 Ų121.971%0.70666%0.659SS**  trans-66101.4165.937.30000108.7C115 W119C115-S117 PolarHBondContact O-N 2.88Å; S117-W119 PolarHBondContact O-N 3.27Å
118A59.4Low54.2Low69 Ų69122.2 Ų122.257%0.5766%0.656SS**  trans-56.5113.1179.700000109.9R116 H120R116-A118 PolarHBondContact O-N 2.89Å; A118-H120 VanDerWaalsContact C-N 3.33Å; A118-H120 WeakPolarHBondContact CB-NE2 3.03Å; A118-H120 PolarHBondContact O-CD2 3.08Å; A118-H120 VanDerWaalsContact O-CD2 3.24Å; A118-H120 PolarHBondContact O-N 3.32Å
119W53.6Low54.5Low225 Ų225122.7 Ų122.785%0.85266%0.662SS**  trans-75.188.7-176.6-165.988.1000109.7S117 P121S117-W119 PolarHBondContact O-N 3.27Å; W119-P121 HydrophobicContact CH2-CB 4.29Å; W119-P121 HydrophobicContact CZ3-CB 4Å
120H59.4Low54.9Low146 Ų146125.2 Ų125.268%0.67668%0.675SS**  trans-85.7129.1172.1-63.9-68.2000109.6A118 S122A118-H120 VanDerWaalsContact C-N 3.33Å; A118-H120 WeakPolarHBondContact CB-NE2 3.03Å; A118-H120 PolarHBondContact O-CD2 3.08Å; A118-H120 VanDerWaalsContact O-CD2 3.24Å; A118-H120 PolarHBondContact O-N 3.32Å; H120-S122 VanDerWaalsContact C-N 3.26Å; H120-S122 PolarHBondContact O-N 3.02Å
121P53.3Low55Low55 Ų55127.7 Ų127.736%0.35768%0.684SS.*  trans-71.883.3174.130-34.5000110W119 A123 S124W119-P121 HydrophobicContact CH2-CB 4.29Å; W119-P121 HydrophobicContact CZ3-CB 4Å; P121-A123 PolarHBondContact O-N 3.27Å; P121-S124 PolarHBondContact O-N 3.25Å; P121-S124 VanDerWaalsContact O-N 3.16Å
122S57.6Low55.2Low118 Ų118132 Ų13283%0.82569%0.691SS**THydrogen-bonded Turntrans-53.4137.5179.9-166.30000111.1H120 S124H120-S122 VanDerWaalsContact C-N 3.26Å; H120-S122 PolarHBondContact O-N 3.02Å; S122-S124 VanDerWaalsContact C-N 3.32Å; S122-S124 PolarHBondContact O-N 2.95Å
123A52.3Low55Low103 Ų103130.1 Ų130.185%0.85170%0.695SS**THydrogen-bonded Turntrans66.95.7-17500000118.2P121 K125P121-A123 PolarHBondContact O-N 3.27Å; A123-K125 PolarHBondContact O-N 3.21Å
124S51Low54.8Low51 Ų51132.3 Ų132.336%0.35771%0.709SS.*  trans-83.794170.9-1700000112.6P121 S122 V126 W127P121-S124 PolarHBondContact O-N 3.25Å; P121-S124 VanDerWaalsContact O-N 3.16Å; S122-S124 VanDerWaalsContact C-N 3.32Å; S122-S124 PolarHBondContact O-N 2.95Å; S124-V126 PolarHBondContact O-N 3.26Å; S124-W127 PolarHBondContact O-N 3.08Å
125K63.2Low54.5Low203 Ų203133.3 Ų133.388%0.88371%0.713SS**THydrogen-bonded Turntrans-69.412.5-177.3-155.5172.2-179.8177.90115A123A123-K125 PolarHBondContact O-N 3.21Å
126V59.7Low54.4Low123 Ų123134.6 Ų134.675%0.74572%0.723SS**THydrogen-bonded Turntrans-99.5-23.5179-173.50000111.7S124 T128S124-V126 PolarHBondContact O-N 3.26Å; V126-T128 PolarHBondContact O-N 2.97Å
127W49.5Very low54.2Low198 Ų198137.1 Ų137.175%0.7573%0.733SS**  trans-10061.7-175.5-63.8100.5000112.7S124 P129S124-W127 PolarHBondContact O-N 3.08Å; W127-P129 VanDerWaalsContact O-CD 3.28Å; W127-P129 WeakPolarHBondContact O-CD 3.43Å
128T65.4Low53.7Low115 Ų115135.9 Ų135.971%0.70674%0.736SS**  trans-76113.7166.1-55.60000108.8V126 V130V126-T128 PolarHBondContact O-N 2.97Å; T128-V130 PolarHBondContact O-N 3.5Å; T128-V130 VanDerWaalsContact O-N 3.13Å
129P57.9Low52.7Low112 Ų112137.5 Ų137.573%0.72775%0.749SS**  trans-70.3112.3-179.828.3-33.6000110.2W127 K131W127-P129 VanDerWaalsContact O-CD 3.28Å; W127-P129 WeakPolarHBondContact O-CD 3.43Å; P129-K131 PolarHBondContact O-N 2.92Å
130V55.8Low52Low131 Ų131133 Ų13379%0.79475%0.752SS**  trans-66.3100.1177.1179.90000109.5T128 R132T128-V130 PolarHBondContact O-N 3.5Å; T128-V130 VanDerWaalsContact O-N 3.13Å; V130-R132 PolarHBondContact O-N 2.78Å
131K57.3Low51.1Low203 Ų203131.5 Ų131.588%0.88376%0.758SS**  trans-68.297171.7-81.3-165.5172.9-173.10109.9P129 G133P129-K131 PolarHBondContact O-N 2.92Å; K131-G133 PolarHBondContact O-N 3.38Å
132R58.4Low50.3Low217 Ų217135.2 Ų135.282%0.81979%0.785SS**  trans-67.3120.9160.1-63.5-160-61.8-103.95.5108.5V130 C134V130-R132 PolarHBondContact O-N 2.78Å; R132-C134 PolarHBondContact O-N 3.22Å; R132-C134 VanDerWaalsContact O-N 3.16Å
133G45.1Very low49Very low59 Ų59132.8 Ų132.861%0.60878%0.779SS**  trans-73.399.5175.400000110.7K131 H135K131-G133 PolarHBondContact O-N 3.38Å; G133-H135 PolarHBondContact O-CD2 2.98Å; G133-H135 PolarHBondContact O-N 2.92Å
134C45.9Very low48.2Very low113 Ų113134.2 Ų134.276%0.76478%0.783SS**  trans-74.889.5174.8-65.20000110.3R132 S136R132-C134 PolarHBondContact O-N 3.22Å; R132-C134 VanDerWaalsContact O-N 3.16Å; C134-S136 VanDerWaalsContact C-N 3.25Å; C134-S136 PolarHBondContact O-N 2.99Å
135H50.2Low47.2Very low183 Ų183135.8 Ų135.885%0.84781%0.807SS**  trans-71.781.2170-66.4-81.9000110.1G133G133-H135 PolarHBondContact O-CD2 2.98Å; G133-H135 PolarHBondContact O-N 2.92Å
136S45.7Very low45.9Very low102 Ų102131 Ų13171%0.71381%0.806SS**  trans-13690.8175.8-65.70000110.7C134 G138C134-S136 VanDerWaalsContact C-N 3.25Å; C134-S136 PolarHBondContact O-N 2.99Å; S136-G138 PolarHBondContact O-N 2.97Å
137R46.4Very low44.6Very low253 Ų253130.7 Ų130.796%0.95581%0.809SS**  trans-9.7110.2156.8-177162.857.3-132.21.2113.1
138G40.8Very low43.9Very low75 Ų75126 Ų12677%0.77381%0.806SS**  trans-73.9169.7-157.600000117.2S136S136-G138 PolarHBondContact O-N 2.97Å
139A37.3Very low42.5Very low103 Ų103127.8 Ų127.885%0.85181%0.811SS**  trans-130.2130.3164.800000108.2
140S40.1Very low41.4Very low129 Ų129129.4 Ų129.490%0.90281%0.812SS**  trans-116.7110.6-175.4-660000111.8
141S39.2Very low40.4Very low115 Ų115129.9 Ų129.980%0.80481%0.81SS**  trans-141.8103.3158.145.80000107.2
142S36.8Very low39.1Very low133 Ų133125.9 Ų125.993%0.9381%0.806SS**  83.512472-169.40000111.9
143G31.7Very low37.8Very low68 Ų68119 Ų11970%0.70180%0.802SS**  trans122.759.7-161.900000110.9
144S33.9Very low37.4Very low133 Ų133122.3 Ų122.393%0.9381%0.813SS**  67.3111.178.6-166.10000112.4
145G30.3Very low36.5Very low84 Ų84122.3 Ų122.387%0.86682%0.815SS**  trans16122.1-178.900000118.8
146A35.8Very low35.7Very low103 Ų103119.4 Ų119.485%0.85182%0.815SS**  trans-138.1120.6174.400000111.4
147S33.4Very low35Very low115 Ų115119.2 Ų119.280%0.80481%0.814SS**  trans-81.9122.3180176.90000111.5
148S34.1Very low34.2Very low100 Ų100117.5 Ų117.570%0.69981%0.813SS**  trans30.7124.1140.8-51.30000120.2
149L35.3Very low33.7Very low153 Ų153119.7 Ų119.780%0.80181%0.812SS**  -161.5113.5104.1-86.7178000107.2
150L34.8Very low33.4Very low146 Ų146120 Ų12076%0.76481%0.808SS**  58.2135.6101.7-57.3-171.5000114.4
151L35Very low32.8Very low140 Ų140119.6 Ų119.673%0.73381%0.805SS**  cis-160.816421.1-159.667.1000112.1
152C31.7Very low32.3Very low120 Ų120118.8 Ų118.881%0.81180%0.799SS**  trans64.1137.2169.9-56.90000118
153G30.1Very low32.2Very low72 Ų72119.1 Ų119.174%0.74279%0.79SS**  cis107.9143.4-5.800000114.6
154P37.4Very low32.1Very low129 Ų129123.4 Ų123.484%0.83879%0.791SS**  cis-116.6171.9-741-28.8000114.1
155S27Very low31.9Very low113 Ų113122 Ų12279%0.7978%0.781SS**  trans-125.3133.4162.8-58.50000109.9S157S155-S157 PolarHBondContact O-N 3.16Å
156S33.1Very low31.9Very low122 Ų122123.5 Ų123.585%0.85378%0.779SS**  trans-80.694.9179.252.90000111F158S156-F158 PolarHBondContact O-N 3.36Å
157S31.4Very low31.8Very low98 Ų98124 Ų12469%0.68578%0.776SS**  trans-69.6123.5171.8-58.80000111.5S155S155-S157 PolarHBondContact O-N 3.16Å
158F29.8Very low31.8Very low216 Ų216123.2 Ų123.295%0.94777%0.771SS**  trans-137.5123.2143.3-85.2-68.3000109.6S156S156-F158 PolarHBondContact O-N 3.36Å
159T29.5Very low32.4Very low122 Ų122124.1 Ų124.175%0.74877%0.774SS**  trans-115.6146.8-17950.90000110.6
160S30.3Very low32.5Very low110 Ų110124 Ų12477%0.76977%0.774SS**  trans78.3151.1154.6-54.90000118.9
161S27.9Very low32.6Very low120 Ų120125.8 Ų125.884%0.83978%0.776SS**  trans84.2143.5168.779.70000116.9
162S29.4Very low32.6Very low98 Ų98127 Ų12769%0.68578%0.776SS**  cis-171.6160.1-29.7-151.80000108.8
163L33.5Very low32.7Very low139 Ų139127.3 Ų127.373%0.72878%0.779SS**  trans67.8142.3156-65.5156000120.2
164H30.4Very low33.2Very low158 Ų158131.7 Ų131.773%0.73179%0.785SS**  trans63.9106.9152.2-58.9-44.3000122.6
165S28.9Very low33.3Very low103 Ų103130 Ų13072%0.7278%0.782SS**  82132.2118.3-59.70000122.5
166S30.8Very low33.8Very low117 Ų117132.2 Ų132.282%0.81878%0.784SS**  trans79.1144.6143.8720000122.1
167S32.9Very low33.9Very low114 Ų114131.8 Ų131.880%0.79778%0.781SS**  trans75.9108.6154.4-133.40000120
168S34Very low34Very low98 Ų98132 Ų13269%0.68578%0.783SS**  trans-63.3173.8137530000110.9
169P47Very low34.3Very low119 Ų119129 Ų12977%0.77378%0.777SS**  cis-112-155.15.930.5-6.5000110.2
170N37.7Very low34.5Very low150 Ų150128 Ų12880%0.80277%0.774SS**  cis-166.1-17436.258.2-0.9000115.9
171F36.2Very low34.7Very low183 Ų183127.6 Ų127.680%0.80377%0.772SS**  trans-62.7152.6-163.3-97.8-135.8000118
172F35Very low35.1Very low167 Ų167130.1 Ų130.173%0.73278%0.775SS**  trans22.2128.9141.7-72.9-100.5000120.5
173S34.6Very low35.1Very low126 Ų126131.6 Ų131.688%0.88179%0.785SS**  -155.7148123.6-83.90000111.8
174L39.8Very low35.2Very low163 Ų163131.3 Ų131.385%0.85379%0.793SS**  trans-103.3133.7179.8-66.6167.1000110.6
175A41.1Very low35.1Very low94 Ų94127.1 Ų127.178%0.77779%0.793SS**  trans-148.595.4160.200000106.8
176L37.4Very low35.4Very low160 Ų160132.1 Ų132.184%0.83880%0.802SS**  7711785-76.3175.1000113.4
177S34.1Very low36.7Very low112 Ų112130.7 Ų130.778%0.78379%0.79SS**  trans74.2148.6162.1-50.70000118.7
178S34.4Very low36.9Very low104 Ų104136.6 Ų136.673%0.72780%0.795SS**  cis-172111.1-27.4-97.70000109
179D36.4Very low37.1Very low153 Ų153137.8 Ų137.882%0.81879%0.794SS**  trans168.5114.2149.2-99.7-43.8000107.1
180S32.6Very low37.3Very low100 Ų100137.4 Ų137.470%0.69979%0.791SS**  70.6122.379.688.70000112.6
181S34.8Very low37.6Very low102 Ų102134.7 Ų134.771%0.71378%0.783SS**  cis-155.1169.10.158.40000112.6
182L35.8Very low38Very low172 Ų172132.9 Ų132.990%0.90178%0.782SS**  trans6696.2167.6-53.5179.7000118.3
183S29.7Very low38.3Very low129 Ų129130.6 Ų130.690%0.90278%0.781SS**  trans-149.6126146.6-173.30000111
184C36.6Very low38.6Very low134 Ų134131.3 Ų131.391%0.90577%0.774SS**  trans-150.3137173.3-179.50000105.9
185G28.6Very low38.6Very low70 Ų70133 Ų13372%0.72278%0.775SS**  cis-166.3156.9-5.600000109.2
186F34.2Very low38.1Very low207 Ų207132.1 Ų132.191%0.90878%0.776SS**  trans-88-172.8173.2-81-85.6000110.4
187P58.8Low38.1Very low88 Ų88129.1 Ų129.157%0.57177%0.774SS**  cis-134.8-176-19.512.714.6000114.6
188W35.9Very low38.2Very low238 Ų238129.6 Ų129.690%0.90278%0.775SS**  trans121.4145.5138.2-66.1122.8000120.8
189D39.2Very low38.2Very low123 Ų123129.7 Ų129.766%0.65878%0.776SS**  trans-150147.1169.4158.950.8000104.6C191D189-C191 PolarHBondContact OD1-N 3.46Å
190P51Low38Very low111 Ų111126.7 Ų126.772%0.72177%0.773SS**  -153.5125.1127.533.9-13.7000118.3
191C43.2Very low38.2Very low93 Ų93126.9 Ų126.963%0.62877%0.774SS**  63.2132.2122.4-55.10000124.8D189D189-C191 PolarHBondContact OD1-N 3.46Å
192D44.5Very low38.3Very low145 Ų145130.1 Ų130.178%0.77578%0.783SS**  trans65.6148.2139.2-68.7-48.7000120.8
193T41.4Very low38.2Very low118 Ų118126.8 Ų126.872%0.72478%0.78SS**  cis-165.9142.542.8-29.50000116.2
194L42.2Very low38.6Very low141 Ų141126.5 Ų126.574%0.73877%0.773SS**  trans76.6145.3141.7-123.472.8000126.2
195K38.2Very low40.1Very low198 Ų198125.8 Ų125.886%0.86177%0.766SS**  trans71.5147159.7-74.8160.7178.2-79.60118
196G31.4Very low40.5Very low77 Ų77127.7 Ų127.779%0.79477%0.769SS**  cis-147.7-173300000113.3
197A37.7Very low40.6Very low96 Ų96122.8 Ų122.879%0.79376%0.76SS**  trans-128.2179.8-158.800000116.4
198C34.9Very low39.5Very low122 Ų122124.4 Ų124.482%0.82477%0.772SS**  trans80.4147.3171.9-57.70000116.5
199S35.2Very low39.5Very low107 Ų107118.2 Ų118.275%0.74877%0.765SS**  cis-167.1161.3-9.6-105.60000113.9
200A31.6Very low39.3Very low89 Ų89117.5 Ų117.574%0.73677%0.77SS**  trans68.6112.9146.300000124
201S36.9Very low38.6Very low105 Ų105117.4 Ų117.473%0.73477%0.772SS**  75.2112.7118.5-56.20000125
202L37.4Very low39.1Very low170 Ų170119 Ų11989%0.8978%0.781SS**  51.1116.5124.2-55.6176.2000122.1
203A34.1Very low38.9Very low101 Ų101116.1 Ų116.184%0.83578%0.777SS**  -172.6147.1128.700000113.6
204T38.5Very low39.7Very low124 Ų124115.9 Ų115.976%0.76178%0.778SS**  trans-147-175.1168.856.80000108.3
205P67.6Low39.5Very low118 Ų118116.4 Ų116.477%0.76678%0.781SS**  -124.5-178.1-55.636.1-20.7000112.2
206S36.6Very low39.6Very low111 Ų111113 Ų11378%0.77678%0.776SS**  trans178.9157.7157.531.50000112
207S36.8Very low39.9Very low104 Ų104113.8 Ų113.873%0.72777%0.769SS**  cis-168.3154.4-19.4-96.10000112.2
208C34.2Very low39.8Very low122 Ų122115.6 Ų115.682%0.82476%0.761SS**  trans65.3133.2156.6-630000119.5
209S37.6Very low40.2Very low108 Ų108111.2 Ų111.276%0.75573%0.732SS**  91.4143.851.2-151.90000111.9
210S34.9Very low40.4Very low108 Ų108110.8 Ų110.876%0.75572%0.72SS**  cis-147168.115.1-510000112.7
211S35.2Very low40.7Very low108 Ų108114.8 Ų114.876%0.75573%0.728SS**  trans-93.7161.2156.4-170.10000110.1
212P53.5Low40.7Very low126 Ų126117.1 Ų117.182%0.81873%0.727SS**  -150.9162.8100.338.7-21.7000116.9
213A41.6Very low40.8Very low86 Ų86120.1 Ų120.171%0.71173%0.727SS**  trans-114.4172153.900000109
214P56.5Low41.5Very low113 Ų113126 Ų12673%0.73473%0.728SS**  -160.3177.5109.441.1-21.6000118.2
215L38.7Very low41.5Very low152 Ų152129.6 Ų129.680%0.79673%0.733SS**  trans70.1119.8162.8-47.4-171.7000118.1
216V40.1Very low40.2Very low125 Ų125128.7 Ų128.776%0.75873%0.729SS**  81.4120.852.6171.70000112.8
217S38.1Very low40.4Very low94 Ų94131.7 Ų131.766%0.65774%0.736SS**  cis-158.2-90.3-6.1174.10000113.6P97P97-S217 VanDerWaalsContact CG-CA 3.48Å
218H36.4Very low40.3Very low135 Ų135131.4 Ų131.463%0.62573%0.734SS**  cis-119.10-19.4-127.4-91.700096P96 P97P96-H218 VanDerWaalsContact C-C 3.44Å; P96-H218 VanDerWaalsContact C-CA 3.48Å; P96-H218 HydrophobicContact CB-CB 4.06Å; P97-H218 VanDerWaalsContact C-CG 3.47Å; P97-H218 VanDerWaalsContact CA-ND1 3.28Å; P97-H218 WeakPolarHBondContact CA-ND1 3.22Å; P97-H218 HydrophobicContact CB-CB 2.31Å; P97-H218 WeakPolarHBondContact CB-CD2 3.28Å; P97-H218 HydrophobicContact CG-CB 2.28Å; P97-H218 PolarHBondContact O-ND1 3.13Å
219S41.8Very low40.6Very low30 Ų30131 Ų13121%0.2173%0.73CS.*  0119.4075.10000101.2P96 P97 P98 K100P96-S219 CarbonylContact C-O 3.57Å; P97-S219 CarbonylContact C-O 3.46Å; P97-S219 VanDerWaalsContact CA-CA 3.44Å; P97-S219 VanDerWaalsContact CA-O 3.28Å; P97-S219 WeakPolarHBondContact CA-O 3.31Å; P97-S219 VanDerWaalsContact O-O 3.13Å; P98-S219 WeakPolarHBondContact CA-O 3.46Å; P98-S219 WeakPolarHBondContact CA-OG 3.25Å; P98-S219 WeakPolarHBondContact CD-OG 3.45Å; P98-S219 VanDerWaalsContact N-N 3.19Å; P98-S219 WeakPolarHBondContact O-CB 3.43Å; P98-S219 PolarHBondContact O-OG 3.42Å; K100-S219 PolarHBondContact N-OG 2.96Å; K100-S219 VanDerWaalsContact N-OG 3.11Å
220I40Very low40.9Very low98 Ų98132 Ų13250%0.50373%0.731SS.*  cis-158.2172.1-6.64.6152000109.4P98P98-I220 VanDerWaalsContact CA-N 3.29Å; P98-I220 HydrophobicContact CB-CB 3.67Å; P98-I220 HydrophobicContact CB-CG1 3.45Å; P98-I220 VanDerWaalsContact CB-CG1 3.45Å; P98-I220 HydrophobicContact CB-CG2 3.71Å; P98-I220 WeakPolarHBondContact O-CG1 3.38Å
221L38.8Very low41.4Very low173 Ų173135.9 Ų135.991%0.90674%0.737SS**  trans-137.2153.7138.7-101.4-174.9000112.5
222H36.4Very low41.5Very low154 Ų154137.8 Ų137.871%0.71374%0.737SS**  trans-99.4152.7-175.1-79.3176.4000114.7
223R38.6Very low40.8Very low232 Ų232141.3 Ų141.388%0.87574%0.742SS**  trans-140.4104.4152.7-171.3177.3-66.6-115.21.2111.5
224R49.6Very low40.6Very low226 Ų226143.4 Ų143.485%0.85375%0.746SS**  trans-86138.6155.8-72.8176170170.1-5.9107.7
225F38.1Very low39.3Very low199 Ų199142.7 Ų142.787%0.87375%0.75SS**  trans-155.2152.9143.5-97.7-64.2000109.9
226S40.3Very low39.1Very low99 Ų99141.4 Ų141.469%0.69275%0.753SS**  trans-156155-169.154.20000110.6
227L40.4Very low38.9Very low173 Ų173140.5 Ų140.591%0.90676%0.759SS**  trans84.6136.2166.8-50.3-175.3000118.4
228S36.1Very low38.9Very low99 Ų99140.4 Ų140.469%0.69276%0.764SS**  trans-44.1150.8172.3-170.80000115.7
229P40.3Very low38.8Very low114 Ų114138.7 Ų138.774%0.7477%0.767SS**  trans-68.8146.2160.732.1-34.7000111
230V43.3Very low38.3Very low129 Ų129145.1 Ų145.178%0.78280%0.798SS**  trans-122.9137.4160.71730000106.4
231H45.6Very low38Very low189 Ų189148.8 Ų148.888%0.87581%0.813SS**PPolyproline II helixtrans-70.8133.8-174.6-72.590000111.7
232I36.7Very low38.1Very low148 Ų148145.5 Ų145.576%0.75980%0.802SS**PPolyproline II helixtrans-93.1124.3176-59.2170.9000108.2V234I232-V234 HydrophobicContact CG2-CG2 3.89Å
233Q39.5Very low38.1Very low199 Ų199146 Ų14693%0.9381%0.805SS**PPolyproline II helixtrans-90138.7155.1-79.4-170.3-15.700109
234V36.6Very low38.2Very low131 Ų131140.4 Ų140.479%0.79480%0.799SS**  trans-112116.8-165.8177.10000110.6I232I232-V234 HydrophobicContact CG2-CG2 3.89Å
235A30.4Very low37.4Very low97 Ų97134.2 Ų134.280%0.80279%0.79SS**  trans-163.4101.3154.900000110.7
236S33.4Very low37.9Very low125 Ų125130.4 Ų130.487%0.87479%0.785SS**  trans-152.3105.7160.6-96.20000108.7
237A37.2Very low37.6Very low107 Ų107129.5 Ų129.588%0.88478%0.784SS**  trans-82.5126.4171.800000110
238A37.8Very low37.5Very low91 Ų91130.2 Ų130.275%0.75278%0.782SS**  trans-65.6157.1161.900000109.8
239S33.3Very low37.6Very low100 Ų100132.8 Ų132.870%0.69979%0.793SS**  cis-174.5-166.8-7.945.40000109.1
240L32.5Very low37.6Very low165 Ų165134.4 Ų134.486%0.86480%0.795SS**  trans98.3125.9159.2-53.8174000119.7
241H32.5Very low37.5Very low174 Ų174132.4 Ų132.481%0.80679%0.792SS**  trans-50.8159.8157.3-178-113.6000113.3
242P40.5Very low37.1Very low105 Ų105130.8 Ų130.868%0.68278%0.784SS**  cis-132.2-173.52021.94.6000117
243Q36.7Very low37Very low164 Ų164127.2 Ų127.277%0.76677%0.773SS**  trans-60154.6156.8-84.4-78-31.400111.9
244P40.8Very low36.9Very low115 Ų115127.1 Ų127.175%0.74777%0.77SS**  -145.1172.85341-21.3000119.4
245S34.1Very low37Very low95 Ų95126.3 Ų126.366%0.66477%0.769SS**  trans-11.1142.6146.1-163.10000116.6
246P48.1Very low37Very low119 Ų119124.9 Ų124.977%0.77376%0.764SS**  -155.4-172.351.144.5-23.1000119.9
247A32.8Very low37.8Very low81 Ų81124.5 Ų124.567%0.66976%0.759SS**  trans90.2108.2147.200000122
248H39.7Very low37.7Very low187 Ų187128.6 Ų128.687%0.86676%0.76SS**  trans23.6120.1135.4-50.9-83.8000121.7
249V37.6Very low37.9Very low153 Ų153132.9 Ų132.993%0.92776%0.764SS**  -135.8145127.4179.20000108
250L41.2Very low38.7Very low148 Ų148132.8 Ų132.878%0.77576%0.761SS**  trans-127122.4-178179.2126.7000111.7
251A39.9Very low38.7Very low87 Ų87130.4 Ų130.472%0.71976%0.758SS**  trans-152.3123.7159.400000106.5
252H37.5Very low38.9Very low156 Ų156130.2 Ų130.272%0.72276%0.762SS**  58125.271.9-70.4-56.1000112.8
253S35.6Very low38.6Very low73 Ų73131 Ų13151%0.5177%0.768SS.*  cis-170.11515.6-111.80000112.8
254F37.4Very low39.2Very low197 Ų197128.6 Ų128.686%0.86477%0.767SS**  trans54.5154.1150.6-62.2-53.7000120.2
255S37.1Very low38.9Very low113 Ų113128.4 Ų128.479%0.7977%0.768SS**  cis-163.4153.8-21.1-177.10000108
256G31.2Very low39.9Very low67 Ų67129.4 Ų129.469%0.69177%0.773SS**  trans172.8104.617500000114.2
257P50.3Low39.5Very low118 Ų118130.4 Ų130.477%0.76678%0.777SS**  trans-80170.7164.739.7-37000109.5
258E35.8Very low39.7Very low193 Ų193132.3 Ų132.390%0.90279%0.785SS**  cis-134.9-166.329.5-61.6-176.2109.500114.1
259H42.2Very low39.6Very low181 Ų181127.6 Ų127.684%0.83878%0.778SS**  trans-125.5-178.9-164.8-143.7-144.2000109.1
260P48.8Very low39.4Very low98 Ų98126 Ų12664%0.63677%0.773SS**  cis-128.9172.3-39.627.8-9000113.7
261S33.6Very low39Very low115 Ų115123.9 Ų123.980%0.80477%0.771SS**  -169.3119.8129.621.30000115.1
262L35.4Very low39.3Very low170 Ų170125.4 Ų125.489%0.8977%0.771SS**  trans42.1105.1139.8-57.3174.1000120.6
263C35.6Very low39.8Very low121 Ų121124.3 Ų124.382%0.81878%0.778SS**  trans-70.1170.8140.1-67.50000110.2
264P47.6Very low40.1Very low113 Ų113126.4 Ų126.473%0.73479%0.792SS**  cis-145.1-179.219.245.1-26.6000118.6
265S35.2Very low40.4Very low111 Ų111123 Ų12378%0.77679%0.791SS**  trans87146.4147.2-66.80000120.8
266P56Low40.7Very low116 Ų116122.9 Ų122.975%0.75379%0.791SS**  trans-101.1161.6-176.440.1-35.6000113.6
267T39Very low41.4Very low141 Ų141129.8 Ų129.887%0.86580%0.796SS**  trans166.5118.3134.8-74.20000110.4
268S36.5Very low41.8Very low121 Ų121135.2 Ų135.285%0.84680%0.801SS**  trans-179.2157.8133.1-166.40000109.4
269A37.3Very low42.4Very low87 Ų87133.5 Ų133.572%0.71980%0.798SS**  trans-116.1153.7-177.300000112.5
270C33.5Very low42.9Very low120 Ų120132.7 Ų132.781%0.81180%0.799SS**  trans53.6114.7152.5-166.50000119.3
271S34.3Very low43Very low104 Ų104136.8 Ų136.873%0.72781%0.809SS**  trans-161.4133.6135-85.20000113.1
272T45.8Very low44Very low119 Ų119137 Ų13773%0.7381%0.808SS**  trans43.1114.7151.558.50000120.8
273P47.3Very low45.3Very low132 Ų132133.4 Ų133.486%0.85780%0.803SS**  trans-69.5140.1146.131.6-32.5000110.1
274S43.2Very low46.4Very low117 Ų117135 Ų13582%0.81880%0.803SS**  trans-77.6142.8-175.5-172.40000113.2S276S274-S276 PolarHBondContact O-N 3.37Å; S274-S276 VanDerWaalsContact O-N 3.13Å
275C43.4Very low46.8Very low125 Ų125135.4 Ų135.485%0.84581%0.805SS**  trans-79.392.4178-174.80000111.4R277C275-R277 PolarHBondContact O-N 3.03Å; C275-R277 VanDerWaalsContact O-N 3.08Å
276S43.3Very low47.7Very low112 Ų112141.1 Ų141.178%0.78381%0.81SS**  trans-76.795.1171.7-173.60000111.5S274S274-S276 PolarHBondContact O-N 3.37Å; S274-S276 VanDerWaalsContact O-N 3.13Å
277R46.2Very low47.3Very low212 Ų212141.3 Ų141.380%0.881%0.813SS**  trans24.6108.2146.1-62.1178-176.7-90.7-4.3117.2C275C275-R277 PolarHBondContact O-N 3.03Å; C275-R277 VanDerWaalsContact O-N 3.08Å
278R58.1Low47.9Very low231 Ų231142.8 Ų142.887%0.87281%0.809SS**  trans14.9106.8143.6-53.4-176.2-54-150.94.5116.3
279D47.9Very low49.2Very low157 Ų157142 Ų14284%0.8480%0.803SS**  trans-149134.7135.4-105.8-38.6000110.4
280L53.9Low50.6Low164 Ų164145.9 Ų145.986%0.85981%0.807SS**SBendtrans56.2133.6-177.3-54.3178.5000116.6P282L280-P282 WeakPolarHBondContact O-CD 3.46Å
281H50.2Low51.7Low184 Ų184145.7 Ų145.785%0.85280%0.804SS**  trans-64.6130.9168-71.7-104.8000109.4A283H281-A283 PolarHBondContact O-N 3.36Å
282P55.3Low53Low120 Ų120146 Ų14678%0.77981%0.805SS**  trans-60.8105.8160.9-18.932.1000107.7L280 L284L280-P282 WeakPolarHBondContact O-CD 3.46Å; P282-L284 PolarHBondContact O-N 3Å
283A61.4Low53.4Low94 Ų94146 Ų14678%0.77780%0.801SS**  trans-58.4112.8172.100000107.1H281H281-A283 PolarHBondContact O-N 3.36Å
284L59.1Low53.9Low156 Ų156146.5 Ų146.582%0.81779%0.793SS**  trans-49.3133.1-178.1-67173.2000108.5P282 R286P282-L284 PolarHBondContact O-N 3Å; L284-R286 PolarHBondContact O-N 3.02Å
285P55.8Low54.6Low120 Ų120151.2 Ų151.278%0.77979%0.793SS**  trans-63.392.8178.925.8-33.5000108.1C287P285-C287 PolarHBondContact O-N 3Å
286R54.6Low55.5Low231 Ų231153.1 Ų153.187%0.87279%0.787SS**  trans-55.3110.1-173.5176.6-178.9178.186.2-1.5106.9L284 H288L284-R286 PolarHBondContact O-N 3.02Å; R286-H288 VanDerWaalsContact C-N 3.33Å; R286-H288 PolarHBondContact O-N 3.16Å
287C46.2Very low56.1Low121 Ų121153 Ų15382%0.81878%0.783SS**  trans-53.598-172.9-64.30000109.7P285 S289P285-C287 PolarHBondContact O-N 3Å; C287-S289 PolarHBondContact O-N 2.99Å
288H52.5Low56.7Low172 Ų172153.9 Ų153.980%0.79679%0.787SS**  trans-79.282.5-178.9-148.7-49.7000105.9R286 Q290R286-H288 VanDerWaalsContact C-N 3.33Å; R286-H288 PolarHBondContact O-N 3.16Å; H288-Q290 PolarHBondContact O-N 3.33Å
289S64Low56.8Low103 Ų103150 Ų15072%0.7278%0.783SS**  trans-48.9119.7168.244.30000107C287C287-S289 PolarHBondContact O-N 2.99Å
290Q66.8Low57.7Low170 Ų170151.9 Ų151.979%0.79478%0.783SS**  trans-56.7134.7175.1-71.3-177.9-39.100107.2H288 C292H288-Q290 PolarHBondContact O-N 3.33Å; Q290-C292 PolarHBondContact O-N 3.04Å
291P56.6Low58.4Low116 Ų116155.2 Ų155.275%0.75378%0.784SS**  trans-60.3113.3171.125.9-32.2000107.2D293P291-D293 PolarHBondContact O-N 2.86Å
292C60.6Low59Low110 Ų110158.2 Ų158.274%0.74379%0.788SS**  trans-57.6111.3177.5-59.70000108Q290 M294Q290-C292 PolarHBondContact O-N 3.04Å; C292-M294 VanDerWaalsContact C-N 3.29Å; C292-M294 PolarHBondContact O-N 2.83Å
293D55.2Low59.3Low120 Ų120159.9 Ų159.964%0.64279%0.785SS**  trans-73.285.6-173.6-173.215.8000111.3P291 R295P291-D293 PolarHBondContact O-N 2.86Å; D293-R295 PolarHBondContact O-N 3.37Å; D293-R295 VanDerWaalsContact O-N 3.08Å; D293-R295 WeakPolarHBondContact OD1-CB 3.22Å; D293-R295 WeakPolarHBondContact OD1-CD 3Å; D293-R295 WeakPolarHBondContact OD1-CG 3.28Å; D293-R295 PolarHBondContact OD1-N 2.59Å; D293-R295 IonicContact OD1-NE 3.92Å
294M57.4Low59.6Low142 Ų142159.4 Ų159.470%0.777%0.77SS**  trans-75.415.6-179.5-72.2-54.9-50.400113.8C292 K296 P297C292-M294 VanDerWaalsContact C-N 3.29Å; C292-M294 PolarHBondContact O-N 2.83Å; M294-K296 PolarHBondContact O-N 3.14Å; M294-P297 WeakPolarHBondContact O-CD 3.48Å
295R58.2Low59.7Low216 Ų216157.2 Ų157.282%0.81577%0.765SS**  trans-64.89.2178.1-75.7173.4176.9-175.8-3.6115.8D293D293-R295 PolarHBondContact O-N 3.37Å; D293-R295 VanDerWaalsContact O-N 3.08Å; D293-R295 WeakPolarHBondContact OD1-CB 3.22Å; D293-R295 WeakPolarHBondContact OD1-CD 3Å; D293-R295 WeakPolarHBondContact OD1-CG 3.28Å; D293-R295 PolarHBondContact OD1-N 2.59Å; D293-R295 IonicContact OD1-NE 3.92Å
296K62.5Low60Low164 Ų164158.4 Ų158.471%0.71377%0.765SS**  trans-132.965172.3-64.9-173.6-178.5177.10113.2M294 R298M294-K296 PolarHBondContact O-N 3.14Å; K296-R298 PolarHBondContact O-N 3.47Å
297P56.1Low60.4Low109 Ų109151.1 Ų151.171%0.70875%0.746SS**THydrogen-bonded Turntrans-70.414.2-17832.3-37.8000115M294M294-P297 WeakPolarHBondContact O-CD 3.48Å
298R57.8Low61.5Low232 Ų232152.6 Ų152.688%0.87574%0.744SS**THydrogen-bonded Turntrans-136.416-176-69.2-165174.9-151.8-1.7115.6K296 K300K296-R298 PolarHBondContact O-N 3.47Å; R298-K300 PolarHBondContact O-N 3.16Å
299L60.8Low62.3Low150 Ų150149.5 Ų149.579%0.78574%0.74SS**  trans-78.757.9167.7-128.676000111.6R301L299-R301 PolarHBondContact O-N 3.43Å; L299-R301 VanDerWaalsContact O-N 3.1Å
300K66.9Low62.3Low196 Ų196150 Ų15085%0.85274%0.742SS**  trans-64.2110170.2-164.4174.3-174.6-178.80106.5R298 R302R298-K300 PolarHBondContact O-N 3.16Å; K300-R302 PolarHBondContact O-N 2.98Å
301R67.8Low62.4Low233 Ų233147.5 Ų147.588%0.87974%0.743SS**PPolyproline II helixtrans-49.8131.1178-66.4-169.5-60.7166.43.2108.2L299 H303L299-R301 PolarHBondContact O-N 3.43Å; L299-R301 VanDerWaalsContact O-N 3.1Å; R301-H303 PolarHBondContact O-N 3.31Å
302R63.8Low63.2Low247 Ų247153 Ų15393%0.93275%0.749SS**PPolyproline II helixtrans-56.2129.4175.7-71.2-176.3173-173.4-3.7107.8K300 D304K300-R302 PolarHBondContact O-N 2.98Å; R302-D304 PolarHBondContact O-N 3.12Å
303H62.3Low64Low156 Ų156154 Ų15472%0.72275%0.754SS**PPolyproline II helixtrans-71.3117.3166.3-166.9-60.8000105.8R301R301-H303 PolarHBondContact O-N 3.31Å
304D67Low65Low83 Ų83151.6 Ų151.644%0.44476%0.758SS.*PPolyproline II helixtrans-71.7122.4172.4-165.7-37.9000107.4R302 D306 V307R302-D304 PolarHBondContact O-N 3.12Å; D304-D306 VanDerWaalsContact C-N 3.27Å; D304-D306 PolarHBondContact OD1-N 3.16Å; D304-D306 VanDerWaalsContact OD1-N 3.1Å; D304-V307 HydrophobicContact CB-CB 4.11Å; D304-V307 HydrophobicContact CB-CG2 3.7Å
305P61.9Low66.2Low110 Ų110150.6 Ų150.671%0.71476%0.755SS**SBendtrans-70.9-25-178.430-35.1000112.4
306D61.8Low67.3Low146 Ų146143.4 Ų143.478%0.78173%0.732SS**SBendtrans-89.9-9-174.2-58.4-33.5000112D304 L308D304-D306 VanDerWaalsContact C-N 3.27Å; D304-D306 PolarHBondContact OD1-N 3.16Å; D304-D306 VanDerWaalsContact OD1-N 3.1Å; D306-L308 PolarHBondContact O-N 3.31Å
307V62.1Low68.2Low78 Ų78142.3 Ų142.347%0.47373%0.728SS.*SBendtrans-81.999.6170.1177.10000109.4D304D304-V307 HydrophobicContact CB-CB 4.11Å; D304-V307 HydrophobicContact CB-CG2 3.7Å
308L69.3Low69.2Low151 Ų151141.4 Ų141.479%0.79172%0.724SS**  trans-45.5132.2166.5-69.2175.3000110.1D306 C310D306-L308 PolarHBondContact O-N 3.31Å; L308-C310 PolarHBondContact O-N 3.15Å
309P69.4Low70Confident108 Ų108137.1 Ų137.170%0.70171%0.712SS**  trans-57.3112.5-178.8-25.834.3000111S311P309-S311 PolarHBondContact O-N 2.95Å
310C63.7Low70.6Confident113 Ų113134.6 Ų134.676%0.76470%0.697SS**  trans-54.4111175.9-62.80000109L308 R312L308-C310 PolarHBondContact O-N 3.15Å; C310-R312 PolarHBondContact O-N 2.9Å
311S68.6Low70.8Confident117 Ų117130.6 Ų130.682%0.81869%0.689SS**  trans-48.6112.8-176.3-56.50000109.7P309P309-S311 PolarHBondContact O-N 2.95Å
312R73.8Confident70.8Confident231 Ų231126.7 Ų126.787%0.87268%0.681SS**PPolyproline II helixtrans-56.3130.3-179.3-69.7-171.6179.8-159.93.4107.9C310 G314C310-R312 PolarHBondContact O-N 2.9Å; R312-G314 PolarHBondContact O-N 3.02Å
313P76.9Confident70.7Confident131 Ų131123.2 Ų123.285%0.85168%0.678SS**PPolyproline II helixtrans-51.6118.4176.1-28.335.7000109.8L315P313-L315 PolarHBondContact O-N 2.88Å
314G78.1Confident70.7Confident70 Ų70119.4 Ų119.472%0.72268%0.68SS**PPolyproline II helixtrans-59.7130.5-176.700000110.2R312 D316R312-G314 PolarHBondContact O-N 3.02Å; G314-D316 PolarHBondContact O-N 2.73Å
315L82.1Confident70.2Confident121 Ų121120.4 Ų120.463%0.63469%0.685SS**  trans-74.396.6176.1-174.658000108.5P313 F317 M320P313-L315 PolarHBondContact O-N 2.88Å; L315-F317 HydrophobicContact CD2-CE1 4.3Å; L315-F317 HydrophobicContact CD2-CZ 4.36Å; L315-F317 WeakPolarHBondContact O-CD2 3.37Å; L315-F317 WeakPolarHBondContact O-CE2 2.97Å; L315-F317 PolarHBondContact O-N 3.24Å; L315-M320 HydrophobicContact CD1-CE 3.89Å; L315-M320 HydrophobicContact CD2-CE 3.62Å; L315-M320 HydrophobicContact CG-CE 3.63Å
316D81.7Confident69.7Low65 Ų65121.1 Ų121.135%0.34869%0.692SS.*  trans-70.696.4-179.7-176.7-15.9000110.5G314 S318 K319 M320G314-D316 PolarHBondContact O-N 2.73Å; D316-S318 PolarHBondContact O-N 3.24Å; D316-S318 WeakPolarHBondContact OD1-CA 3.02Å; D316-S318 VanDerWaalsContact OD1-CB 3.31Å; D316-S318 WeakPolarHBondContact OD1-CB 2.87Å; D316-S318 PolarHBondContact OD1-N 2.83Å; D316-K319 HydrophobicContact CB-CB 4.32Å; D316-K319 HydrophobicContact CB-CD 4.37Å; D316-K319 HydrophobicContact CB-CG 4.36Å; D316-K319 PolarHBondContact O-N 3.32Å; D316-K319 VanDerWaalsContact O-N 3.16Å; D316-K319 PolarHBondContact OD1-N 3.01Å; D316-K319 VanDerWaalsContact OD1-N 3.14Å; D316-K319 WeakPolarHBondContact OD2-CG 3.49Å; D316-K319 IonicContact OD2-NZ 2.59Å; D316-K319 PolarHBondContact OD2-NZ 2.91Å; D316-M320 PolarHBondContact O-N 2.84Å; D316-M320 VanDerWaalsContact O-N 3.16Å
317F81.4Confident69.1Low141 Ų141121.6 Ų121.662%0.61869%0.689SS**Hα-helixtrans-61.5-28.4178.4-64.7-79.9000112.8L315 K319 M320 T321L315-F317 HydrophobicContact CD2-CE1 4.3Å; L315-F317 HydrophobicContact CD2-CZ 4.36Å; L315-F317 WeakPolarHBondContact O-CD2 3.37Å; L315-F317 WeakPolarHBondContact O-CE2 2.97Å; L315-F317 PolarHBondContact O-N 3.24Å; F317-K319 VanDerWaalsContact C-N 3.32Å; F317-K319 PolarHBondContact O-N 3.19Å; F317-M320 HydrophobicContact CD1-CE 3.57Å; F317-M320 HydrophobicContact CD1-SD 4.39Å; F317-M320 HydrophobicContact CE1-CE 3.8Å; F317-M320 HydrophobicContact CG-CE 4.49Å; F317-M320 WeakPolarHBondContact O-CB 3.28Å; F317-M320 PolarHBondContact O-N 2.96Å; F317-M320 VanDerWaalsContact O-N 3.12Å; F317-T321 PolarHBondContact O-N 2.94Å; F317-T321 PolarHBondContact O-OG1 3.34Å
318S76.3Confident68.4Low90 Ų90122.8 Ų122.863%0.62970%0.701SS**Hα-helixtrans-70-28.4176.9-55.40000112.6D316 T321D316-S318 PolarHBondContact O-N 3.24Å; D316-S318 WeakPolarHBondContact OD1-CA 3.02Å; D316-S318 VanDerWaalsContact OD1-CB 3.31Å; D316-S318 WeakPolarHBondContact OD1-CB 2.87Å; D316-S318 PolarHBondContact OD1-N 2.83Å; S318-T321 PolarHBondContact O-OG1 2.85Å
319K74.3Confident67.3Low143 Ų143124 Ų12462%0.62271%0.707SS**Hα-helixtrans-76.1-32.8167.1-72.6-176.1-177.181.10112.4D316 F317 T321 Q322D316-K319 HydrophobicContact CB-CB 4.32Å; D316-K319 HydrophobicContact CB-CD 4.37Å; D316-K319 HydrophobicContact CB-CG 4.36Å; D316-K319 PolarHBondContact O-N 3.32Å; D316-K319 VanDerWaalsContact O-N 3.16Å; D316-K319 PolarHBondContact OD1-N 3.01Å; D316-K319 VanDerWaalsContact OD1-N 3.14Å; D316-K319 WeakPolarHBondContact OD2-CG 3.49Å; D316-K319 IonicContact OD2-NZ 2.59Å; D316-K319 PolarHBondContact OD2-NZ 2.91Å; F317-K319 VanDerWaalsContact C-N 3.32Å; F317-K319 PolarHBondContact O-N 3.19Å; K319-T321 VanDerWaalsContact C-N 3.33Å; K319-Q322 PolarHBondContact O-N 2.69Å
320M74Confident66.2Low96 Ų96125.1 Ų125.147%0.47371%0.712SS.*Hα-helixtrans-66.9-34.7177.4-161.1-169.6-51.400112.2L315 D316 F317L315-M320 HydrophobicContact CD1-CE 3.89Å; L315-M320 HydrophobicContact CD2-CE 3.62Å; L315-M320 HydrophobicContact CG-CE 3.63Å; D316-M320 PolarHBondContact O-N 2.84Å; D316-M320 VanDerWaalsContact O-N 3.16Å; F317-M320 HydrophobicContact CD1-CE 3.57Å; F317-M320 HydrophobicContact CD1-SD 4.39Å; F317-M320 HydrophobicContact CE1-CE 3.8Å; F317-M320 HydrophobicContact CG-CE 4.49Å; F317-M320 WeakPolarHBondContact O-CB 3.28Å; F317-M320 PolarHBondContact O-N 2.96Å; F317-M320 VanDerWaalsContact O-N 3.12Å
321T70.4Confident64.9Low112 Ų112123.2 Ų123.269%0.68771%0.711SS**THydrogen-bonded Turntrans-86.4-0.2176.155.30000114.1F317 S318 K319 M323F317-T321 PolarHBondContact O-N 2.94Å; F317-T321 PolarHBondContact O-OG1 3.34Å; S318-T321 PolarHBondContact O-OG1 2.85Å; K319-T321 VanDerWaalsContact C-N 3.33Å; T321-M323 PolarHBondContact O-N 3.21Å
322Q68.6Low63.3Low151 Ų151120.9 Ų120.971%0.70671%0.706SS**  trans-76.141.3176.7-155.5-176.62.400112.9K319K319-Q322 PolarHBondContact O-N 2.69Å
323M61.5Low61.5Low175 Ų175117.2 Ų117.286%0.86271%0.709SS**SBendtrans-113.253179.2-59.6-171.771.500110.3T321T321-M323 PolarHBondContact O-N 3.21Å
324G62.2Low59.4Low75 Ų75114.6 Ų114.677%0.77371%0.706SS**SBendtrans-169.4-13-172.500000119
325N57.3Low57.3Low104 Ų104115 Ų11556%0.55671%0.711SS**  trans-127.993.8172.4-170.513.9000111.8E327N325-E327 PolarHBondContact ND2-OE1 2.75Å; N325-E327 WeakPolarHBondContact OD1-CB 3.05Å; N325-E327 PolarHBondContact OD1-N 2.88Å
326C50.8Low54.9Low125 Ų125112.8 Ų112.885%0.84572%0.717SS**  trans-111.856.7169.3-630000108.9S328C326-S328 PolarHBondContact O-N 3.48Å
327E48.3Very low52.8Low156 Ų156117.9 Ų117.973%0.72974%0.742SS**  trans-57122.2175.856.8-169.2115.500110.9N325 L329N325-E327 PolarHBondContact ND2-OE1 2.75Å; N325-E327 WeakPolarHBondContact OD1-CB 3.05Å; N325-E327 PolarHBondContact OD1-N 2.88Å; E327-L329 PolarHBondContact O-N 3.43Å; E327-L329 VanDerWaalsContact O-N 3.12Å
328S48.4Very low50.7Low103 Ų103120.5 Ų120.572%0.7275%0.754SS**  trans-81.397.4-165-171.90000111C326 V330C326-S328 PolarHBondContact O-N 3.48Å; S328-V330 PolarHBondContact O-N 2.9Å
329L45.4Very low49.6Very low177 Ų177121.4 Ų121.493%0.92776%0.757SS**  trans-71.975.5174.4-172.264.9000111.2E327 G331E327-L329 PolarHBondContact O-N 3.43Å; E327-L329 VanDerWaalsContact O-N 3.12Å; L329-G331 PolarHBondContact O-N 2.99Å
330V45.6Very low47.6Very low131 Ų131121.5 Ų121.579%0.79477%0.77SS**  trans-86.2102.4169172.60000109.5S328S328-V330 PolarHBondContact O-N 2.9Å
331G36.5Very low45.8Very low73 Ų73121.7 Ų121.775%0.75378%0.78SS**  trans-156129.4160.900000109.2L329L329-G331 PolarHBondContact O-N 2.99Å
332G36Very low44.2Very low68 Ų68120.8 Ų120.870%0.70178%0.779SS**  cis147.7113.4-4.700000111.5
333T35.8Very low42.7Very low154 Ų154122.1 Ų122.195%0.94579%0.785SS**  trans175134.4166.7-77.90000106.3
334G33.7Very low41.4Very low77 Ų77118.5 Ų118.579%0.79478%0.777SS**  trans170.1-22.6175.500000121.3
335G32.9Very low40.3Very low79 Ų79121.9 Ų121.981%0.81477%0.773SS**  trans73.8122.1163.500000120.2
336G31.8Very low39.5Very low74 Ų74124.8 Ų124.876%0.76378%0.783SS**  trans83143.8156.200000117.4
337I38.2Very low38.6Very low171 Ų171122.7 Ų122.788%0.87778%0.783SS**  cis-141145.3-7.8-55.1-179.6000108
338F36.6Very low38Very low197 Ų197122.4 Ų122.486%0.86479%0.785SS**  trans-80-178.9175.7-73.2-81.3000112.6
339P54.6Low37.6Very low108 Ų108122.2 Ų122.270%0.70179%0.79SS**  -131.5-180-51.437.9-23.7000111.9
340V31.4Very low37.1Very low146 Ų146122.3 Ų122.389%0.88578%0.783SS**  trans-148.6144.2136.41130000111.2
341S36.3Very low36.5Very low99 Ų99121 Ų12169%0.69278%0.78SS**  trans-77.3173.7-175.4-55.50000111.5
342S36.4Very low36.6Very low94 Ų94124.2 Ų124.266%0.65779%0.787SS**  cis-161.815633.6-59.50000113.7
343Q37.6Very low37.1Very low178 Ų178124.5 Ų124.583%0.83278%0.783SS**  trans50.5140.8141.2-66.3161-2200119
344S33.8Very low37.7Very low100 Ų100125.4 Ų125.470%0.69978%0.776SS**  cis-131.6154.716.958.50000109.9
345E38.4Very low38Very low145 Ų145131.8 Ų131.868%0.67878%0.783SS**  49124.271.6-91.8-164.796.900112.5
346Q40.7Very low38.8Very low166 Ų166136.9 Ų136.978%0.77679%0.79SS**  cis-139.9153.67.5-60.9-178.5-20.600111.3
347G31.7Very low39.1Very low81 Ų81136.4 Ų136.484%0.83579%0.785SS**  trans-97.5122.5173.500000112.2
348L36.4Very low39.3Very low150 Ų150140.2 Ų140.279%0.78579%0.789SS**  trans-119.2114.8160.5-95.5168.1000108.4F350L348-F350 HydrophobicContact CB-CE2 4.2Å
349A39Very low39.3Very low98 Ų98136.5 Ų136.581%0.8179%0.787SS**  trans-80.5131.4-178.600000110.7
350F35.8Very low38.7Very low179 Ų179137 Ų13779%0.78579%0.793SS**  trans-126.1126.4167.2-74.5-78000109.5L348L348-F350 HydrophobicContact CB-CE2 4.2Å
351S33.3Very low39.6Very low105 Ų105138 Ų13873%0.73479%0.792SS**  trans-82.7131.2-175.3-170.60000110.7A353S351-A353 PolarHBondContact O-N 2.93Å
352P38.3Very low40.1Very low139 Ų139135.7 Ų135.790%0.90378%0.784SS**SBendtrans-75.567.4177.7-17.233000113.8
353A46.8Very low40.7Very low74 Ų74137.4 Ų137.461%0.61279%0.793SS**  trans-126.9160.6162.800000108.8S351S351-A353 PolarHBondContact O-N 2.93Å
354E47.6Very low40.5Very low173 Ų173137 Ų13781%0.80880%0.796SS**  trans63.178.9-179.5-57.6177.3-157.700115.8
355F40.7Very low41.2Very low212 Ų212137.5 Ų137.593%0.9380%0.799SS**  trans-155.750.3133.8-126.9-78.5000113.4
356L49.8Very low41.4Very low185 Ų185139.1 Ų139.197%0.96981%0.806SS**  trans-120.189.2172.8-160.680.3000110.7
357G38.1Very low41Very low64 Ų64136 Ų13666%0.6680%0.803SS**  trans137.8100166.800000115.5
358R42.5Very low41.7Very low252 Ų252141.5 Ų141.595%0.95181%0.807SS**  trans169.691.6133.3-93.1166.7-168.3-86.60.4110.4
359S37.1Very low41.7Very low118 Ų118142.6 Ų142.683%0.82581%0.808SS**  trans-136.161.7162.8620000108.7I361S359-I361 PolarHBondContact O-N 3.47Å
360S40.4Very low42Very low118 Ų118147 Ų14783%0.82581%0.812SS**  trans-80.4103175.2-171.70000108.6G362S360-G362 PolarHBondContact O-N 3.42Å
361I50.8Low42.4Very low167 Ų167147.4 Ų147.486%0.85682%0.817SS**  trans-71.1105.5166.740.6171000108.8S359S359-I361 PolarHBondContact O-N 3.47Å
362G46.3Very low43.1Very low52 Ų52151.5 Ų151.554%0.53682%0.824SS.*PPolyproline II helixtrans-77.3151.8164.600000110.2S360S360-G362 PolarHBondContact O-N 3.42Å
363P49.1Very low43.4Very low130 Ų130153 Ų15384%0.84482%0.824SS**PPolyproline II helixtrans-62.9141.8167.429.4-33.7000109.5
364L33.8Very low43.5Very low169 Ų169158.2 Ų158.289%0.88584%0.836SS**PPolyproline II helixtrans-82.5123166.8-64170000106.6
365S49Very low43.6Very low110 Ų110159.4 Ų159.477%0.76984%0.842SS**PPolyproline II helixtrans-64.1144.1177-60.40000111.3
366E41.5Very low44Very low179 Ų179155.9 Ų155.984%0.83683%0.828SS**PPolyproline II helixtrans-60.8151.215653.1-10183.100111.7
367S33.8Very low43.3Very low102 Ų102152.7 Ų152.771%0.71382%0.82SS**  trans-128.5107.6168.855.30000108.1
368E44.7Very low43.7Very low196 Ų196156.5 Ų156.592%0.91682%0.818SS**  trans-97.5140.7157.765.4-171.6156.500108.1
369E38.1Very low43.8Very low173 Ų173155.1 Ų155.181%0.80881%0.813SS**  trans-144116.8-178.859-167.8122.700109.1
370E44Very low43.8Very low189 Ų189155.5 Ų155.588%0.88381%0.811SS**  trans-171.1164.4142-113.1172.5-163.100112.5
371E44.8Very low43.8Very low189 Ų189156.9 Ų156.988%0.88381%0.814SS**  trans67.3122.7175.8-56.9-161.9142.400119.3
372E47.7Very low43.6Very low191 Ų191156.5 Ų156.589%0.89381%0.812SS**  trans-82144.7170.6-55.3169.411700109.7
373D44.3Very low43.2Very low170 Ų170158 Ų15891%0.90982%0.82SS**  trans-157.2151.5141.6-123.3-25.2000111.4
374E50.3Low42.6Very low183 Ų183158.3 Ų158.386%0.85582%0.819SS**  trans-86.1133.7-176.6-57.6-172.9151.100111.8
375E48.1Very low43.3Very low199 Ų199153.8 Ų153.893%0.9381%0.813SS**  -172.1173.1122-111.5-169.1-163.100115.7
376E48.9Very low43.2Very low138 Ų138157.5 Ų157.565%0.64582%0.816SS**  trans-71.8123.5-172.6178.2-175.7152.300114.5K378E376-K378 HydrophobicContact CG-CD 4.32Å; E376-K378 HydrophobicContact CG-CG 4.47Å; E376-K378 WeakPolarHBondContact OE1-CD 3.45Å; E376-K378 VanDerWaalsContact OE1-CE 3.26Å; E376-K378 WeakPolarHBondContact OE1-CE 3.26Å; E376-K378 IonicContact OE1-NZ 2.67Å; E376-K378 PolarHBondContact OE1-NZ 2.73Å; E376-K378 IonicContact OE2-NZ 2.86Å; E376-K378 PolarHBondContact OE2-NZ 3.12Å
377C35.8Very low43.6Very low118 Ų118156.7 Ų156.780%0.79782%0.817SS**  trans-143.2104.5145.5-147.50000114.9
378K47.2Very low44.5Very low144 Ų144157.2 Ų157.263%0.62682%0.816SS**  trans-80.2117.4172.2-60.4146-171.1154.20110E376E376-K378 HydrophobicContact CG-CD 4.32Å; E376-K378 HydrophobicContact CG-CG 4.47Å; E376-K378 WeakPolarHBondContact OE1-CD 3.45Å; E376-K378 VanDerWaalsContact OE1-CE 3.26Å; E376-K378 WeakPolarHBondContact OE1-CE 3.26Å; E376-K378 IonicContact OE1-NZ 2.67Å; E376-K378 PolarHBondContact OE1-NZ 2.73Å; E376-K378 IonicContact OE2-NZ 2.86Å; E376-K378 PolarHBondContact OE2-NZ 3.12Å
379R42.9Very low44.8Very low223 Ų223154.7 Ų154.784%0.84281%0.807SS**  trans-170.5129.5146.2-107.4156-146.9131.74.7116.5
380T37.4Very low45.4Very low126 Ų126155 Ų15577%0.77381%0.806SS**  trans50.784.1145.255.60000119.4
381V42Very low46.2Very low147 Ų147153.6 Ų153.689%0.89180%0.799SS**  -65.4116.9129.8172.40000108.1
382L45.7Very low47.1Very low158 Ų158155 Ų15583%0.82780%0.796SS**  trans-178.8167.3152.2-106.9169.7000111.9
383A37.9Very low48.1Very low83 Ų83151.7 Ų151.769%0.68679%0.785SS**  trans64.888-179.900000114.8
384V35.9Very low49.2Very low137 Ų137147.9 Ų147.983%0.8377%0.771SS**  75126.781.8171.30000112.7K386V384-K386 PolarHBondContact O-N 3.25Å
385G48.8Very low50.2Low74 Ų74144.5 Ų144.576%0.76376%0.763SS**  trans-57.5130.9-165.200000115.2
386K46.5Very low51.3Low189 Ų189142.2 Ų142.282%0.82276%0.757SS**  trans-120.5137.5155.7-67.2175.7-177.4172.90106.5V384 V388V384-K386 PolarHBondContact O-N 3.25Å; K386-V388 PolarHBondContact O-N 3.22Å
387N50.1Low52.4Low161 Ų161140.5 Ų140.586%0.86175%0.752SS**  trans-67.8107.8-179.8-57-44.5000108.2I389N387-I389 PolarHBondContact O-N 3.11Å
388V52.8Low54.3Low114 Ų114139.6 Ų139.669%0.69174%0.739SS**  trans-71.290.2169.5-178.90000106.9K386 F390K386-V388 PolarHBondContact O-N 3.22Å; V388-F390 HydrophobicContact CG1-CD2 4.22Å; V388-F390 HydrophobicContact CG1-CE2 4.13Å; V388-F390 PolarHBondContact O-N 2.86Å; V388-F390 VanDerWaalsContact O-N 3.15Å
389I52.3Low55.7Low142 Ų142138.9 Ų138.973%0.72874%0.741SS**  trans-63.1111.4161.9-63.2172.6000104.8N387 E391N387-I389 PolarHBondContact O-N 3.11Å; I389-E391 PolarHBondContact O-N 3.03Å
390F50.3Low57Low181 Ų181131.9 Ų131.979%0.79473%0.727SS**  trans-70.878.7167-82.4-90.1000108.1V388 R392V388-F390 HydrophobicContact CG1-CD2 4.22Å; V388-F390 HydrophobicContact CG1-CE2 4.13Å; V388-F390 PolarHBondContact O-N 2.86Å; V388-F390 VanDerWaalsContact O-N 3.15Å; F390-R392 VanDerWaalsContact C-N 3.33Å; F390-R392 PolarHBondContact O-N 3.05Å
391E60.6Low58.4Low159 Ų159131.5 Ų131.574%0.74372%0.719SS**  trans-62.398.8162.8-170.9151.9-143.900106.3I389 D393I389-E391 PolarHBondContact O-N 3.03Å; E391-D393 PolarHBondContact O-N 3.01Å; E391-D393 VanDerWaalsContact O-N 3.09Å
392R62.7Low59.7Low217 Ų217129.4 Ų129.482%0.81970%0.702SS**  trans-76.396173.7-68.7-16974.3104.71.7106.8F390 C394F390-R392 VanDerWaalsContact C-N 3.33Å; F390-R392 PolarHBondContact O-N 3.05Å; R392-C394 PolarHBondContact O-N 3.35Å; R392-C394 PolarHBondContact O-SG 2.96Å
393D68.6Low60.8Low122 Ų122130.4 Ų130.465%0.65270%0.702SS**  trans-57.9104.8169-79.7-44.1000109.2E391 T395E391-D393 PolarHBondContact O-N 3.01Å; E391-D393 VanDerWaalsContact O-N 3.09Å; D393-T395 PolarHBondContact O-N 3.13Å; D393-T395 VanDerWaalsContact O-N 3.07Å
394C67.4Low62.2Low90 Ų90134.2 Ų134.261%0.60871%0.706SS**G310 helixtrans-76.217.4179.7-74.20000112.8R392 D396 L397R392-C394 PolarHBondContact O-N 3.35Å; R392-C394 PolarHBondContact O-SG 2.96Å; C394-D396 VanDerWaalsContact C-N 3.32Å; C394-L397 HydrophobicContact CB-CD1 3.92Å; C394-L397 PolarHBondContact O-N 2.65Å
395T71.4Confident62.7Low113 Ų113137.2 Ų137.269%0.69372%0.718SS**G310 helixtrans-69.8-29.8179.652.40000112.6D393 L397D393-T395 PolarHBondContact O-N 3.13Å; D393-T395 VanDerWaalsContact O-N 3.07Å; T395-L397 VanDerWaalsContact C-N 3.32Å
396D71.4Confident63.4Low150 Ų150140.4 Ų140.480%0.80272%0.715SS**G310 helixtrans-92.113.7-179.1-7318.7000112.7C394 D398C394-D396 VanDerWaalsContact C-N 3.32Å; D396-D398 PolarHBondContact O-N 3.29Å; D396-D398 VanDerWaalsContact O-N 3.08Å
397L73Confident64.3Low102 Ų102137.8 Ų137.853%0.53471%0.71SS.*  trans-77.290.4168.5-78.7174.6000110C394 T395 L399C394-L397 HydrophobicContact CB-CD1 3.92Å; C394-L397 PolarHBondContact O-N 2.65Å; T395-L397 VanDerWaalsContact C-N 3.32Å; L397-L399 PolarHBondContact O-N 3.2Å
398D75.9Confident65.1Low100 Ų100136.6 Ų136.654%0.53570%0.701SS.*  trans-60.1105.8168.7-173-12.5000110.2D396 S400 L401D396-D398 PolarHBondContact O-N 3.29Å; D396-D398 VanDerWaalsContact O-N 3.08Å; D398-S400 VanDerWaalsContact CG-OG 3.25Å; D398-S400 PolarHBondContact O-N 3.08Å; D398-S400 VanDerWaalsContact OD1-CB 3.31Å; D398-S400 WeakPolarHBondContact OD1-CB 3.26Å; D398-S400 PolarHBondContact OD1-N 3.22Å; D398-S400 PolarHBondContact OD1-OG 3.45Å; D398-S400 PolarHBondContact OD2-OG 2.83Å; D398-L401 PolarHBondContact O-N 3.07Å
399L76.6Confident65.9Low128 Ų128137.9 Ų137.967%0.6770%0.702SS**SBendtrans-68.8-20.5-178.7-58.9-179.3000112.6L397 L401 I402 E403L397-L399 PolarHBondContact O-N 3.2Å; L399-L401 VanDerWaalsContact C-N 3.34Å; L399-I402 HydrophobicContact CD2-CD1 3.95Å; L399-I402 WeakPolarHBondContact O-CB 3.45Å; L399-I402 PolarHBondContact O-N 3.22Å; L399-E403 PolarHBondContact O-N 3.05Å
400S69.4Low66.7Low77 Ų77137.6 Ų137.654%0.53870%0.7SS.*Hα-helixtrans-68-36.2178.671.10000111.8D398 I402 E403D398-S400 VanDerWaalsContact CG-OG 3.25Å; D398-S400 PolarHBondContact O-N 3.08Å; D398-S400 VanDerWaalsContact OD1-CB 3.31Å; D398-S400 WeakPolarHBondContact OD1-CB 3.26Å; D398-S400 PolarHBondContact OD1-N 3.22Å; D398-S400 PolarHBondContact OD1-OG 3.45Å; D398-S400 PolarHBondContact OD2-OG 2.83Å; S400-I402 PolarHBondContact O-N 3.13Å; S400-E403 PolarHBondContact O-N 3.08Å
401L67Low67.8Low118 Ų118134.7 Ų134.762%0.61869%0.694SS**Hα-helixtrans-67.2-18175.2-166.565.5000112.9D398 L399D398-L401 PolarHBondContact O-N 3.07Å; L399-L401 VanDerWaalsContact C-N 3.34Å
402I69.5Low68.3Low103 Ų103133 Ų13353%0.52869%0.69SS.*Hα-helixtrans-86.4-21.5178-52.2-179.8000111.5L399 S400L399-I402 HydrophobicContact CD2-CD1 3.95Å; L399-I402 WeakPolarHBondContact O-CB 3.45Å; L399-I402 PolarHBondContact O-N 3.22Å; S400-I402 PolarHBondContact O-N 3.13Å
403E69.4Low68.7Low178 Ų178126.5 Ų126.583%0.83268%0.681SS**Hα-helixtrans-87-10.4179.8-165.1163.4-159.700113.3L399 S400L399-E403 PolarHBondContact O-N 3.05Å; S400-E403 PolarHBondContact O-N 3.08Å
404E67.1Low68.8Low163 Ų163126.9 Ų126.976%0.76268%0.683SS**THydrogen-bonded Turntrans-91.73.9-179.6-153.5174.3-174.500114.6
405N46.9Very low68.9Low201 Ų201130.3 Ų130.3100%1.07569%0.69SS**  trans-1320-178.9-78.8-101000114.7

Retrieved 405 of 405 residues in 246.4 ms (Link to these results)