A0A5K4F1N7_SCHMA Loading...

SWIM-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1N7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 479 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.6Very low36.7Very low247 Ų247159 Ų159100%1.21787%0.865SS**  098.20-73.9-171.7166.400107.3
2E30Very low38Very low200 Ų200154.3 Ų154.394%0.93585%0.849SS**  trans-81.8128.3172.2-78.6176132.300109.6
3S39.5Very low38.6Very low115 Ų115159.3 Ų159.380%0.80485%0.847SS**  trans-163.369.3154.2480000110K5S3-K5 PolarHBondContact O-N 3.45Å
4D37.4Very low39.5Very low166 Ų166154.4 Ų154.489%0.88883%0.832SS**  trans-81.294.4153.3-90.1-36.2000108
5K38.3Very low40.3Very low199 Ų199150.5 Ų150.587%0.86582%0.815SS**  trans-173.2111.3159.8-103.4153.5-171.4179.30110S3S3-K5 PolarHBondContact O-N 3.45Å
6S36.5Very low41Very low130 Ų130149.8 Ų149.891%0.90981%0.81SS**  trans125.4126.8143.772.90000115.6
7G30.9Very low41.6Very low65 Ų65153.8 Ų153.867%0.6781%0.811SS**  trans111.2105.9152.500000115.1
8L38.5Very low42.3Very low183 Ų183157 Ų15796%0.95881%0.81SS**  -159.1102.4120.3-100.3160000109.6
9I37.6Very low42.8Very low158 Ų158155.3 Ų155.381%0.8180%0.798SS**  trans-58.8130.2-178.7-66.2154.6000109.9S11I9-S11 PolarHBondContact O-N 3.5Å; I9-S11 VanDerWaalsContact O-N 3.16Å
10K39.4Very low43.1Very low203 Ų203150.2 Ų150.288%0.88379%0.785SS**  trans-63.1113.6174.3-72.9173.4179.5170.90109.7
11S38.4Very low43.6Very low83 Ų83152.9 Ų152.958%0.5879%0.785SS**  trans-48.8131.8176.2173.60000113.3I9 R13I9-S11 PolarHBondContact O-N 3.5Å; I9-S11 VanDerWaalsContact O-N 3.16Å; S11-R13 PolarHBondContact O-N 2.97Å; S11-R13 VanDerWaalsContact O-N 3.09Å
12P51.4Low44.5Very low103 Ų103145.2 Ų145.267%0.66975%0.752SS**THydrogen-bonded Turntrans-73.36.6-177.5-1428.5000116S14P12-S14 VanDerWaalsContact C-N 3.26Å; P12-S14 PolarHBondContact O-N 3.07Å
13R45.8Very low45.6Very low219 Ų219141.4 Ų141.483%0.82674%0.738SS**Hα-helixtrans-69.4-14.2-171.3-91.2-175.1172.5-177.9-0.9115.4S11S11-R13 PolarHBondContact O-N 2.97Å; S11-R13 VanDerWaalsContact O-N 3.09Å
14S51.6Low46.5Very low91 Ų91139.5 Ų139.564%0.63673%0.725SS**Hα-helixtrans-81.1-21.9-17766.50000114.2P12P12-S14 VanDerWaalsContact C-N 3.26Å; P12-S14 PolarHBondContact O-N 3.07Å
15V51.3Low47.4Very low95 Ų95136.7 Ų136.758%0.57671%0.709SS**Hα-helixtrans-80.4-41-175-175.80000111.9R17 R18V15-R17 VanDerWaalsContact C-N 3.28Å; V15-R17 PolarHBondContact O-N 3.16Å; V15-R18 PolarHBondContact O-N 3.14Å
16L51.2Low48Very low139 Ų139135.1 Ų135.173%0.72870%0.697SS**Hα-helixtrans-60.4-34.1-179.9-95.2139000113.2R18L16-R18 VanDerWaalsContact C-N 3.31Å; L16-R18 PolarHBondContact O-N 3.18Å
17R52.3Low48.4Very low219 Ų219131.1 Ų131.183%0.82668%0.677SS**Hα-helixtrans-73.3-20.7-177.6-140.2-178.5-179.8-163.70.2113.6V15V15-R17 VanDerWaalsContact C-N 3.28Å; V15-R17 PolarHBondContact O-N 3.16Å
18R53.2Low49.4Very low211 Ų211134.5 Ų134.580%0.79668%0.675SS**Hα-helixtrans-82.5-33178.2-82.1-173.6173.9-171.7-0.6113.2V15 L16V15-R18 PolarHBondContact O-N 3.14Å; L16-R18 VanDerWaalsContact C-N 3.31Å; L16-R18 PolarHBondContact O-N 3.18Å
19Q53.2Low50.2Low125 Ų125131 Ų13158%0.58466%0.656SS**Hα-helixtrans-72.5-32.4179.8-83.5177.5-10.200113.7R21 T22Q19-R21 VanDerWaalsContact C-N 3.27Å; Q19-R21 PolarHBondContact O-N 3Å; Q19-T22 PolarHBondContact O-N 3.04Å; Q19-T22 PolarHBondContact O-OG1 3.35Å; Q19-T22 VanDerWaalsContact O-OG1 3.05Å
20G48.1Very low50.9Low53 Ų53131.4 Ų131.455%0.54665%0.648SS.*Hα-helixtrans-62.1-31.4177.700000114
21R54.3Low51.3Low207 Ų207126 Ų12678%0.78164%0.635SS**Hα-helixtrans-77.6-31.4-179.2-99.1-175.7172.1-173.5-2.6113.9Q19Q19-R21 VanDerWaalsContact C-N 3.27Å; Q19-R21 PolarHBondContact O-N 3Å
22T56.6Low51.7Low86 Ų86128.4 Ų128.453%0.52864%0.641SS.*Hα-helixtrans-75.5-30.1-178.149.90000112.7Q19 R26Q19-T22 PolarHBondContact O-N 3.04Å; Q19-T22 PolarHBondContact O-OG1 3.35Å; Q19-T22 VanDerWaalsContact O-OG1 3.05Å; T22-R26 PolarHBondContact O-N 3.33Å
23N51.4Low51.6Low119 Ų119128.5 Ų128.564%0.63664%0.64SS**Hα-helixtrans-75.4-30.5-179.4-66.4-12.9000112.7G27N23-G27 PolarHBondContact O-N 3.27Å
24S58.8Low51.4Low75 Ų75124.7 Ų124.752%0.52464%0.636SS.*Hα-helixtrans-67.5-40.4176174.50000112.6G27S24-G27 PolarHBondContact O-N 2.84Å
25I56.3Low51.1Low107 Ų107129.4 Ų129.455%0.54965%0.645SS.*Hα-helixtrans-70.7-35.9-179.4-61.5170.3000111.2G27 Q28 I29I25-G27 VanDerWaalsContact C-N 3.32Å; I25-G27 PolarHBondContact O-N 2.8Å; I25-Q28 PolarHBondContact O-N 2.86Å; I25-I29 HydrophobicContact CG2-CD1 4.4Å
26R51.3Low50.6Low166 Ų166133 Ų13363%0.62666%0.658SS**Hα-helixtrans-69.6-28.4179.7-156.8176.1-170.2-175.12.5113T22T22-R26 PolarHBondContact O-N 3.33Å
27G44.9Very low49.7Very low47 Ų47132.9 Ų132.949%0.48566%0.663SS.*Hα-helixtrans-67.8-36.6175.200000113.5N23 S24 I25 I29N23-G27 PolarHBondContact O-N 3.27Å; S24-G27 PolarHBondContact O-N 2.84Å; I25-G27 VanDerWaalsContact C-N 3.32Å; I25-G27 PolarHBondContact O-N 2.8Å; G27-I29 PolarHBondContact O-N 3.14Å
28Q52.7Low49Very low135 Ų135128.2 Ų128.263%0.63166%0.661SS**Hα-helixtrans-74.3-24.1-177.3-69.3-174.5-1000113.9I25 S31I25-Q28 PolarHBondContact O-N 2.86Å; Q28-S31 PolarHBondContact O-OG 3.04Å
29I55Low47.9Very low110 Ų110126.2 Ų126.256%0.56466%0.66SS**Hα-helixtrans-80.2-30.6-178.3-60.1171000111.5I25 G27I25-I29 HydrophobicContact CG2-CD1 4.4Å; G27-I29 PolarHBondContact O-N 3.14Å
30R50.9Low46.8Very low167 Ų167125.8 Ų125.863%0.6367%0.668SS**Hα-helixtrans-76.6-21.2-177.8-73.1-177.4179.9166.2-3.1114.3L32 T33R30-L32 VanDerWaalsContact C-N 3.32Å; R30-T33 PolarHBondContact O-OG1 3.23Å
31S49.2Very low46.3Very low88 Ų88129.7 Ų129.762%0.61568%0.681SS**THydrogen-bonded Turntrans-77.9-17.517857.80000113.4Q28Q28-S31 PolarHBondContact O-OG 3.04Å
32L46.2Very low44.9Very low135 Ų135127 Ų12771%0.70768%0.682SS**THydrogen-bonded Turntrans-86.5-22-176.4-75.3162.9000113.9R30 N34R30-L32 VanDerWaalsContact C-N 3.32Å; L32-N34 PolarHBondContact O-N 2.97Å
33T49.1Very low43.6Very low105 Ų105132.4 Ų132.464%0.64470%0.698SS**G310 helixtrans-81-12.9-173.647.90000114.9R30R30-T33 PolarHBondContact O-OG1 3.23Å
34N41Very low42.5Very low138 Ų138134 Ų13474%0.73871%0.707SS**G310 helixtrans-93.28.5-174-75.11.8000115.3L32L32-N34 PolarHBondContact O-N 2.97Å
35K45.4Very low41Very low191 Ų191137.3 Ų137.383%0.8371%0.714SS**G310 helixtrans-124.212.6-176.6-73.2-163.3176.2-171.50116.6
36M40.6Very low39.7Very low171 Ų171138.9 Ų138.984%0.84272%0.723SS**  trans-132.445.6-176.9-62-171.29400114.1P38M36-P38 WeakPolarHBondContact O-CD 3.43Å
37T33.9Very low39.2Very low135 Ų135138.6 Ų138.683%0.82873%0.732SS**  trans-89.4100.6164.59.50000109.7Q39T37-Q39 PolarHBondContact O-N 3.15Å
38P36Very low38.3Very low121 Ų121145.1 Ų145.179%0.78675%0.747SS**PPolyproline II helixtrans-74.9120.4171.227.6-31.9000110.8M36M36-P38 WeakPolarHBondContact O-CD 3.43Å
39Q30.5Very low37.5Very low170 Ų170146.9 Ų146.979%0.79476%0.755SS**PPolyproline II helixtrans-70.2128.8170.1-91.8-92.742.500110.6T37T37-Q39 PolarHBondContact O-N 3.15Å
40P30.7Very low36Very low115 Ų115150 Ų15075%0.74777%0.767SS**PPolyproline II helixtrans-85.8121.8176.231.7-29.9000111
41V38.3Very low34.9Very low136 Ų136151.1 Ų151.182%0.82478%0.78SS**  trans-111.7112.8173.3-167.20000109.2
42N24.8Very low33.7Very low149 Ų149156 Ų15680%0.79779%0.79SS**  trans-56.4139.5162.6-79.3-37.3000110.9
43K29.1Very low32.7Very low200 Ų200154.1 Ų154.187%0.8779%0.788SS**  177124.5128-98.4168.8-173.4-169.60113.8
44L28.5Very low32.1Very low154 Ų154156.1 Ų156.181%0.80680%0.8SS**  91.6131128.4-140.374.6000120.9
45E27.2Very low31.4Very low144 Ų144156.7 Ų156.767%0.67380%0.801SS**  trans-55.1164166.1-63.699.1166.200115.3
46D29.1Very low31.1Very low140 Ų140153.4 Ų153.475%0.74980%0.798SS**  trans66.697.9150.4-63.5-27.8000120.4
47I41.2Very low30.7Very low160 Ų160153.1 Ų153.182%0.82179%0.794SS**  trans-139.699.7134.3-53.8-179.1000109.5
48K24.5Very low30.6Very low184 Ų184154.2 Ų154.280%0.879%0.79SS**  trans-81.7126.1157.7-74.4174.1175.71740108.6
49H35.5Very low30.7Very low171 Ų171154.3 Ų154.379%0.79279%0.788SS**  trans-157.8108.2154.1-82.5-28.8000105.5
50E24.1Very low31Very low176 Ų176152.1 Ų152.182%0.82279%0.789SS**  4711267-77.4-156.6161.800114.8
51Q27.4Very low31.2Very low190 Ų190152.7 Ų152.789%0.88879%0.79SS**  trans144.7156.2143.2-84.2174.85.600111.4
52K24.6Very low31.3Very low191 Ų191152.7 Ų152.783%0.8379%0.791SS**  cis-170147.3-45.2-129.9178.6179.6178.20104.3
53S24.9Very low32Very low96 Ų96157.3 Ų157.367%0.67180%0.797SS**  trans-29.1144.6170.8540000119.6
54V35.8Very low32.6Very low147 Ų147154 Ų15489%0.89179%0.794SS**  trans-148.3141.3130.6178.20000110.1
55I27.8Very low33.3Very low149 Ų149154 Ų15476%0.76479%0.794SS**  trans-96.1144.9-175.2-66.3154.6000109.7
56T39.1Very low34.2Very low123 Ų123152 Ų15276%0.75579%0.792SS**  trans-155.5120.3152.9-44.10000111.7
57E31.9Very low34.8Very low164 Ų164157 Ų15777%0.76680%0.8SS**  trans17.2156137.2-57.1-172171.100120.5
58E31.1Very low35.1Very low159 Ų159157.1 Ų157.174%0.74380%0.802SS**  cis-173.8169.7-8.9-105.7-153.5176.800106.6
59T37.8Very low36.2Very low122 Ų122157.1 Ų157.175%0.74880%0.802SS**  trans107130.4158.9700000119.7
60P37.5Very low36.4Very low125 Ų125156 Ų15681%0.81280%0.802SS**  trans-121.193.3-161.635.3-14.4000112.8
61T34.9Very low37.1Very low126 Ų126152 Ų15277%0.77380%0.799SS**  trans-147.879.6174.340.90000111.9
62T39.7Very low38.2Very low137 Ų137154.5 Ų154.584%0.8480%0.8SS**  trans175.683.3147.624.30000109.1V64T62-V64 PolarHBondContact O-N 3.29Å
63R40.3Very low39.2Very low246 Ų246154.8 Ų154.893%0.92880%0.802SS**THydrogen-bonded Turntrans-68.7115.8164.6-74.5178.2174.2169.6-1.1107.3
64V42.7Very low39.7Very low131 Ų131158 Ų15879%0.79481%0.806SS**THydrogen-bonded Turntrans176.5-15.1139.7160.50000112.8T62T62-V64 PolarHBondContact O-N 3.29Å
65N41.9Very low40Very low152 Ų152160.6 Ų160.681%0.81381%0.806SS**SBendtrans-123.222-177.4-84.9-14.6000118
66T46.5Very low40.4Very low102 Ų102158.5 Ų158.563%0.62680%0.804SS**  trans-121.89177.952.70000115.7L68T66-L68 PolarHBondContact O-N 3.33Å; T66-L68 VanDerWaalsContact O-N 3.15Å
67R42.7Very low40.2Very low245 Ų245161.5 Ų161.593%0.92581%0.807SS**THydrogen-bonded Turntrans-67.6-14.9179.3-143.6177.1-171.9-174.61.5114
68L45.5Very low40.7Very low163 Ų163159.7 Ų159.785%0.85381%0.809SS**THydrogen-bonded Turntrans-95.2-9.7-176.3-96.4153.6000115.6T66T66-L68 PolarHBondContact O-N 3.33Å; T66-L68 VanDerWaalsContact O-N 3.15Å
69F47.8Very low41Very low185 Ų185158.4 Ų158.481%0.81181%0.813SS**THydrogen-bonded Turntrans-106.5-7.9-176.9-82.8-75.5000116.3
70N40.5Very low41Very low146 Ų146158.3 Ų158.378%0.78181%0.812SS**SBendtrans-102.90.9178.4-76.4-16.4000115.5R72N70-R72 PolarHBondContact O-N 2.88Å
71A39.7Very low41.1Very low93 Ų93157.5 Ų157.577%0.76981%0.806SS**THydrogen-bonded Turntrans-86.24.9-178.100000115.3
72R48.7Very low41Very low242 Ų242159.1 Ų159.191%0.91381%0.809SS**THydrogen-bonded Turntrans-121.318.3-176.2-139.7176.5-173.9-174.30.7115.8N70N70-R72 PolarHBondContact O-N 2.88Å
73K46.4Very low41.1Very low197 Ų197159.8 Ų159.886%0.85781%0.805SS**  trans-121.854.5170.5-77.8-166.6177.6-177.10112.2
74Q36.5Very low40.8Very low164 Ų164152.9 Ų152.977%0.76680%0.795SS**  trans-138.9146.3157.5-66.9-166.6-8.200108.7
75F42.2Very low40.6Very low201 Ų201154.6 Ų154.688%0.88280%0.799SS**  trans87.863.4-168.9-45.4-63.4000115.6
76S35Very low40.4Very low105 Ų105154.3 Ų154.373%0.73480%0.797SS**  trans-61143142.755.40000112.5
77K36.1Very low39.9Very low187 Ų187157 Ų15781%0.81381%0.808SS**  trans95.8121.6155.2-57.4-173.6-177.1-1790117.8
78P40.5Very low39.7Very low126 Ų126153.9 Ų153.982%0.81880%0.804SS**  trans-80.6118176.632.9-29.7000109.4
79T38.5Very low39.4Very low132 Ų132153.8 Ų153.881%0.8180%0.804SS**  trans-118.8110.8161.7-54.10000106.4P81T79-P81 WeakPolarHBondContact O-CD 3.17Å
80V37.8Very low38.6Very low120 Ų120148.5 Ų148.573%0.72779%0.79SS**  trans-72.1119179.1177.90000108I82V80-I82 PolarHBondContact O-N 2.92Å
81P40.2Very low38.3Very low107 Ų107148.5 Ų148.570%0.69579%0.789SS**  trans-75.1113.6171.227.5-28.6000109.3T79T79-P81 WeakPolarHBondContact O-CD 3.17Å
82I31.6Very low38Very low161 Ų161149.9 Ų149.983%0.82679%0.788SS**  trans-80.1119.9167.5-58170.8000106.4V80V80-I82 PolarHBondContact O-N 2.92Å
83I41.2Very low37.3Very low150 Ų150145 Ų14577%0.76979%0.786SS**  trans-113.6113.5170.6-38.4173.5000105.8
84S34.9Very low36.5Very low102 Ų102141.2 Ų141.271%0.71378%0.784SS**  trans-67.1133.6-178.152.90000111.3D86S84-D86 PolarHBondContact O-N 3.3Å
85L38.1Very low36.2Very low166 Ų166138.8 Ų138.887%0.86978%0.782SS**  trans-80.295.3163.2-79.284.9000107.9
86D38Very low35.6Very low147 Ų147138 Ų13879%0.78678%0.781SS**  trans-153.9146.4151-100.6-31.1000107.7S84S84-D86 PolarHBondContact O-N 3.3Å
87D36.9Very low35.4Very low158 Ų158138.6 Ų138.685%0.84579%0.786SS**  trans87.564.6-179.6-52.1-24.7000117
88Q38.3Very low35.2Very low180 Ų180134.8 Ų134.884%0.84178%0.783SS**  trans-106.666152.1-81.5-92.2-6.200109.9S90Q88-S90 PolarHBondContact O-N 3.01Å
89N39.5Very low34.5Very low160 Ų160140.5 Ų140.586%0.85679%0.788SS**  trans-89.276.1151.1-90.213.5000108.8
90S31Very low34Very low75 Ų75139 Ų13952%0.52478%0.783SS.*  44134119.758.30000120.6Q88Q88-S90 PolarHBondContact O-N 3.01Å
91L34.3Very low33.7Very low145 Ų145138.9 Ų138.976%0.75978%0.782SS**  trans84.992159.2-62.5126.8000116.3
92T31.9Very low33.3Very low123 Ų123142.1 Ų142.176%0.75579%0.786SS**  50.185.676.477.10000114.2
93T34.6Very low33.6Very low140 Ų140139.9 Ų139.986%0.85978%0.784SS**  trans-151.3128.5145.834.80000110.1
94S29.7Very low33.2Very low117 Ų117140.2 Ų140.282%0.81878%0.782SS**  trans-69.4153.2165.7-43.90000109.7
95P30.4Very low33.1Very low112 Ų112144.7 Ų144.773%0.72779%0.789SS**  -147.6141.8110.832.3-13.9000116.2
96Q28.5Very low32.7Very low184 Ų184146 Ų14686%0.8679%0.788SS**  43.8115.7128.7-63.8-172.6-31.200122.4
97S31.1Very low32.5Very low119 Ų119147.6 Ų147.683%0.83279%0.793SS**  8.5118.4125.7-173.10000119.2
98S31.8Very low32.3Very low107 Ų107150 Ų15075%0.74879%0.791SS**  trans179.4111.8134.821.40000108.7
99R26.2Very low31.8Very low246 Ų246150.3 Ų150.393%0.92879%0.79SS**  57.2115.794.1-137.8-178-169.4-160.82.7114.1
100S28.2Very low31.5Very low100 Ų100149 Ų14970%0.69979%0.788SS**  trans110.5134.7143.1-164.60000120.1
101T32Very low31.6Very low117 Ų117153.8 Ų153.872%0.71881%0.808SS**  trans79.7103.4144.738.10000122.3
102F31.8Very low31.4Very low175 Ų175151.5 Ų151.577%0.76880%0.804SS**  64.6105.8128.3-94.6-96.5000120.3H104F102-H104 AromaticContact CD1-CD2 3.95Å; F102-H104 AromaticContact CE1-CD2 3.72Å; F102-H104 AromaticContact CE1-NE2 3.43Å; F102-H104 WeakPolarHBondContact CE1-NE2 3.32Å
103S37.2Very low31.4Very low114 Ų114153.2 Ų153.280%0.79781%0.807SS**  trans-153.5116140.2170.20000109.1K105S103-K105 PolarHBondContact O-N 3.44Å
104H33Very low31.1Very low157 Ų157154.9 Ų154.973%0.72781%0.805SS**  trans-72115.9173.6-81-86.9000110.5F102F102-H104 AromaticContact CD1-CD2 3.95Å; F102-H104 AromaticContact CE1-CD2 3.72Å; F102-H104 AromaticContact CE1-NE2 3.43Å; F102-H104 WeakPolarHBondContact CE1-NE2 3.32Å
105K33Very low31Very low197 Ų197153.7 Ų153.786%0.85780%0.796SS**  trans-134.1116.2150-87.5-171.7176.81790110.1S103 M107S103-K105 PolarHBondContact O-N 3.44Å; K105-M107 PolarHBondContact O-N 3.38Å
106K28.6Very low30.9Very low194 Ų194159 Ų15984%0.84380%0.802SS**  trans-74.3113.9162.9-78.6178.7176.7177.30107.8
107M34.7Very low30.8Very low179 Ų179155.8 Ų155.888%0.88280%0.795SS**  trans-134.1138.3152.6-85.1-163.870.900109.1K105K105-M107 PolarHBondContact O-N 3.38Å
108Y32.4Very low30.7Very low208 Ų208155.5 Ų155.582%0.81679%0.793SS**  trans-75.2136.8-172-73.4-99000111.8
109K28.5Very low30.4Very low187 Ų187158 Ų15881%0.81380%0.795SS**  trans15.6109.6152.7-67.3-179.3175.6-177.80118
110T32.8Very low30.7Very low133 Ų133151.2 Ų151.282%0.81678%0.783SS**  -148.891.712746.10000108.4S112T110-S112 PolarHBondContact O-N 2.74Å
111D33.6Very low30.8Very low175 Ų175153.2 Ų153.294%0.93679%0.79SS**  trans-75.183.8167.5-69.4-39.8000108.4
112S28.5Very low31Very low97 Ų97153 Ų15368%0.67879%0.793SS**  trans-108.3115.5160.8178.90000105.9T110T110-S112 PolarHBondContact O-N 2.74Å
113I33.8Very low31Very low160 Ų160150 Ų15082%0.82179%0.792SS**  trans167.2112133.1-77.1150000106.8
114E27.7Very low30.6Very low174 Ų174150.3 Ų150.381%0.81379%0.794SS**  trans-65.6151.7164.7-156166.7-166.100110.2
115S27.2Very low30.3Very low92 Ų92151.9 Ų151.964%0.64380%0.802SS**  trans85.9114.8155.8-38.50000117.6
116R27.7Very low30.2Very low223 Ų223147.6 Ų147.684%0.84280%0.797SS**  164.9127.692-88.1-164.5178175.1-1.4112.9
117T27.3Very low30.1Very low117 Ų117147.4 Ų147.472%0.71880%0.798SS**  trans56.6136.8131.664.80000122.7
118S29.3Very low29.8Very low114 Ų114149.2 Ų149.280%0.79780%0.797SS**  108124.4124.266.60000118.7
119M24.1Very low29.6Very low159 Ų159145.4 Ų145.478%0.78380%0.801SS**  trans-64.2158166.1-69.3-100.75200113.3
120P34.2Very low29.7Very low104 Ų104140.9 Ų140.968%0.67579%0.79SS**  trans-106119.4137.732.7-21.7000109.4
121V29.9Very low29.4Very low141 Ų141142.7 Ų142.786%0.85579%0.789SS**  73.1125.987.5-179.60000114.9
122S35.6Very low29.4Very low112 Ų112143.3 Ų143.378%0.78378%0.784SS**  trans-76.7165.5-167.4-370000116.9
123P31.6Very low29.3Very low114 Ų114145.1 Ų145.174%0.7478%0.782SS**  trans-128.3130.9153.128-9000114.8
124S28.6Very low29.1Very low120 Ų120145.6 Ų145.684%0.83978%0.778SS**  trans62.3140.7132.7-0.60000124.8
125E26.4Very low29.2Very low189 Ų189144 Ų14488%0.88378%0.775SS**  trans-63.1144.7172.9-60.4158.4146.500114.5
126S31.3Very low29.4Very low108 Ų108146 Ų14676%0.75578%0.777SS**  trans-153.9116.9142.252.60000110.5
127H25.8Very low30.1Very low190 Ų190141.4 Ų141.488%0.8878%0.775SS**  trans-91.286.8163.2-85.2-72.4000108.5
128Y29.3Very low30.6Very low216 Ų216143.8 Ų143.885%0.84778%0.778SS**SBendtrans-161.4136153.1-101.8-81.1000105.6P130Y128-P130 WeakPolarHBondContact O-CD 3.37Å
129S28.2Very low30.9Very low128 Ų128144.2 Ų144.290%0.89578%0.775SS**  trans-61.1131.8168.2-84.30000109.7
130P30.6Very low31.3Very low92 Ų92142 Ų14260%0.59777%0.771SS**  trans-124.2121156.626.7-4.9000110.4Y128 F132Y128-P130 WeakPolarHBondContact O-CD 3.37Å; P130-F132 HydrophobicContact CB-CD2 4.02Å; P130-F132 HydrophobicContact CB-CE2 4.15Å; P130-F132 HydrophobicContact CG-CD2 4.47Å; P130-F132 PolarHBondContact O-N 3.23Å
131H26.2Very low31.6Very low171 Ų171142.4 Ų142.479%0.79277%0.772SS**  trans-59.497.4164-166.9-63.1000109.1
132F33.5Very low31.8Very low189 Ų189141.7 Ų141.783%0.82977%0.767SS**  trans-105.498.4169.2-95.7-83.3000110.3P130P130-F132 HydrophobicContact CB-CD2 4.02Å; P130-F132 HydrophobicContact CB-CE2 4.15Å; P130-F132 HydrophobicContact CG-CD2 4.47Å; P130-F132 PolarHBondContact O-N 3.23Å
133E26Very low31.7Very low134 Ų134144.1 Ų144.163%0.62677%0.769SS**  trans-62.6155.8150.8-72.1-166.3146.900110.6
134K30.8Very low32Very low170 Ų170150.4 Ų150.474%0.73978%0.778SS**SBendtrans83.597.5164.4-66.2174.2-172.3177.40116.3
135N29.1Very low32.2Very low141 Ų141147.5 Ų147.575%0.75476%0.76SS**  trans70.583.5130.6-55.6-34.1000115.2
136L31.6Very low32.8Very low133 Ų133147.5 Ų147.570%0.69677%0.765SS**  trans-169.390.6135-115.488.3000104.6
137T43.7Very low32.9Very low128 Ų128146.4 Ų146.479%0.78576%0.758SS**  9.5101.294.555.50000111.2
138Q36.9Very low33.3Very low167 Ų167144 Ų14478%0.7876%0.757SS**  trans100.457-179.5-53.9173.511.700116.7
139V35.3Very low33.6Very low122 Ų122138.3 Ų138.374%0.73975%0.749SS**  trans-92.890.3145.2179.10000107.7T141V139-T141 VanDerWaalsContact C-N 3.29Å; V139-T141 HydrophobicContact CG1-CG2 3.93Å; V139-T141 PolarHBondContact O-N 2.94Å; V139-T141 VanDerWaalsContact O-N 3.16Å
140T31.9Very low33.7Very low114 Ų114136.3 Ų136.370%0.69973%0.733SS**  trans-80.578.6167.5-42.50000108T142T140-T142 HydrophobicContact CG2-CG2 4.22Å; T140-T142 PolarHBondContact O-N 3.1Å; T140-T142 VanDerWaalsContact O-N 3.14Å
141T41.8Very low33.9Very low112 Ų112142.4 Ų142.469%0.68774%0.744SS**  trans-72.698.3159.6410000107.7V139 M143V139-T141 VanDerWaalsContact C-N 3.29Å; V139-T141 HydrophobicContact CG1-CG2 3.93Å; V139-T141 PolarHBondContact O-N 2.94Å; V139-T141 VanDerWaalsContact O-N 3.16Å; T141-M143 PolarHBondContact O-N 3.34Å
142T34.7Very low34.6Very low125 Ų125141.6 Ų141.677%0.76775%0.75SS**  trans-68.583.9164.944.60000109T140 R144T140-T142 HydrophobicContact CG2-CG2 4.22Å; T140-T142 PolarHBondContact O-N 3.1Å; T140-T142 VanDerWaalsContact O-N 3.14Å; T142-R144 PolarHBondContact O-N 2.92Å
143M33.5Very low34.9Very low164 Ų164136.3 Ų136.381%0.80875%0.749SS**  trans-51.1122.2144.1-68.2-129.3-5800106.6T141 A145T141-M143 PolarHBondContact O-N 3.34Å; M143-A145 VanDerWaalsContact C-N 3.28Å; M143-A145 PolarHBondContact O-N 3.01Å
144R37.5Very low35.3Very low246 Ų246132.4 Ų132.493%0.92874%0.737SS**  trans-62.299.2166.9-168.6-176.5-146.2148.34.4106.4T142 L146T142-R144 PolarHBondContact O-N 2.92Å; R144-L146 PolarHBondContact O-N 3.48Å
145A33.3Very low36.2Very low58 Ų58129.6 Ų129.648%0.47974%0.736SS.*  trans-62.7127-173.500000109.7M143 S147M143-A145 VanDerWaalsContact C-N 3.28Å; M143-A145 PolarHBondContact O-N 3.01Å; A145-S147 WeakPolarHBondContact CB-OG 3.32Å; A145-S147 PolarHBondContact O-N 2.81Å
146L37.7Very low36.5Very low189 Ų189130.6 Ų130.699%0.9974%0.741SS**SBendtrans-70.130.1161.3-69170.1000111.4R144R144-L146 PolarHBondContact O-N 3.48Å
147S33Very low36.6Very low86 Ų86126.6 Ų126.660%0.60173%0.728SS**  trans-128.445.9177.264.90000111.6A145 S149A145-S147 WeakPolarHBondContact CB-OG 3.32Å; A145-S147 PolarHBondContact O-N 2.81Å; S147-S149 PolarHBondContact O-N 3.35Å
148T34.6Very low36.1Very low138 Ų138127.9 Ų127.985%0.84773%0.729SS**  trans-67.571.4140.456.90000107.7
149S35.2Very low36Very low98 Ų98126.5 Ų126.569%0.68573%0.725SS**PPolyproline II helixtrans-52129.1152-1730000105.8S147 R151S147-S149 PolarHBondContact O-N 3.35Å; S149-R151 PolarHBondContact O-N 3.32Å
150P31.8Very low35.8Very low86 Ų86125.3 Ų125.356%0.55872%0.72SS**PPolyproline II helixtrans-56.2121.3-176.3-19.329.3000108.9V152 A157P150-V152 PolarHBondContact O-N 3.24Å; P150-A157 HydrophobicContact CB-CB 4.37Å
151R33.2Very low35.8Very low220 Ų220125 Ų12583%0.8372%0.72SS**PPolyproline II helixtrans-53.7125.5162.9-105.4-180171.1171.9-3.2107S149 G153 S154S149-R151 PolarHBondContact O-N 3.32Å; R151-G153 PolarHBondContact O-N 3.49Å; R151-S154 PolarHBondContact O-N 3.17Å
152V42.6Very low35.4Very low153 Ų153130 Ų13093%0.92773%0.728SS**THydrogen-bonded Turntrans-50.1113.8160.9178.10000106.3P150P150-V152 PolarHBondContact O-N 3.24Å
153G38.9Very low35.2Very low78 Ų78131 Ų13180%0.80473%0.729SS**THydrogen-bonded Turntrans116.4-4.9-173.300000116.2R151R151-G153 PolarHBondContact O-N 3.49Å
154S33.7Very low35.2Very low52 Ų52132.7 Ų132.736%0.36473%0.731SS.*  trans-81.7129.2163.984.30000110R151 N156 A157R151-S154 PolarHBondContact O-N 3.17Å; S154-N156 PolarHBondContact O-N 3.07Å; S154-A157 PolarHBondContact O-N 2.91Å
155P50.4Low35Very low112 Ų112126.2 Ų126.273%0.72772%0.724SS**THydrogen-bonded Turntrans-74.69.3-165.727.5-33.3000115.9
156N34.6Very low35.2Very low161 Ų161131.4 Ų131.486%0.86174%0.743SS**THydrogen-bonded Turntrans-103.85171.6-74.2-14.6000113.7S154 L158S154-N156 PolarHBondContact O-N 3.07Å; N156-L158 VanDerWaalsContact C-N 3.32Å
157A33.9Very low34.9Very low50 Ų50130.3 Ų130.341%0.41373%0.733SS.*  trans-96.537.417300000112.4P150 S154 I159P150-A157 HydrophobicContact CB-CB 4.37Å; S154-A157 PolarHBondContact O-N 2.91Å; A157-I159 PolarHBondContact O-N 2.99Å; A157-I159 VanDerWaalsContact O-N 3.14Å
158L32.8Very low35Very low154 Ų154132 Ų13281%0.80674%0.742SS**  trans-83.778.5165.1-74167.6000108.1N156 P160N156-L158 VanDerWaalsContact C-N 3.32Å; L158-P160 WeakPolarHBondContact O-CD 3.5Å
159I36.1Very low34.9Very low139 Ų139131.9 Ų131.971%0.71374%0.735SS**PPolyproline II helixtrans-57.2118.4159.6-62.6168.2000105.6A157A157-I159 PolarHBondContact O-N 2.99Å; A157-I159 VanDerWaalsContact O-N 3.14Å
160P31Very low34.9Very low96 Ų96131.1 Ų131.162%0.62374%0.735SS**PPolyproline II helixtrans-59.2136.6175.9-17.729.4000108.6L158 Y162L158-P160 WeakPolarHBondContact O-CD 3.5Å; P160-Y162 PolarHBondContact O-N 3.15Å
161P31.1Very low34.9Very low109 Ų109134.5 Ų134.571%0.70874%0.741SS**PPolyproline II helixtrans-59.6117.1171.224.9-30.8000107.4N163P161-N163 PolarHBondContact O-N 3.43Å
162Y34.2Very low34.8Very low215 Ų215128.7 Ų128.784%0.84373%0.734SS**  trans-63.484.3166.9-82.1-89.2000107.7P160 K164P160-Y162 PolarHBondContact O-N 3.15Å; Y162-K164 PolarHBondContact O-N 3.05Å
163N30.5Very low34.4Very low147 Ų147130.6 Ų130.679%0.78673%0.726SS**  trans-67.1124.4163.7-95.3-24.2000107.9P161P161-N163 PolarHBondContact O-N 3.43Å
164K33Very low34.4Very low199 Ų199134.5 Ų134.587%0.86573%0.728SS**SBendtrans-41.7130.3177.3-63.2163.5178.8178.10112.2Y162Y162-K164 PolarHBondContact O-N 3.05Å
165S34.2Very low34.4Very low111 Ų111136.9 Ų136.978%0.77675%0.745SS**  trans12643.6156.791.50000115.9
166L36.1Very low33.8Very low167 Ų167138.3 Ų138.387%0.87475%0.745SS**  trans-97.387.2150.9-68.4174.5000106.9
167Q32.5Very low33.7Very low165 Ų165137 Ų13777%0.77174%0.738SS**  trans-55127.8159.3-77.2-166.5-14.400107.2L169Q167-L169 PolarHBondContact O-N 2.94Å
168P34.4Very low33.9Very low122 Ų122138.5 Ų138.579%0.79274%0.744SS**  trans-70.696.1-179.327-31000108.9A170P168-A170 PolarHBondContact O-N 3.47Å
169L33.1Very low34Very low135 Ų135138.2 Ų138.271%0.70774%0.743SS**  trans-79.249.5165.3-73.7160.6000109.9Q167 F171Q167-L169 PolarHBondContact O-N 2.94Å; L169-F171 VanDerWaalsContact C-N 3.31Å; L169-F171 HydrophobicContact CD2-CD2 4.23Å; L169-F171 HydrophobicContact CD2-CE2 3.49Å; L169-F171 VanDerWaalsContact CD2-CE2 3.49Å; L169-F171 HydrophobicContact CD2-CZ 3.88Å; L169-F171 PolarHBondContact O-N 2.96Å
170A34.4Very low33.9Very low83 Ų83140.7 Ų140.769%0.68675%0.745SS**  trans-83.488.3154.600000105.4P168 S172P168-A170 PolarHBondContact O-N 3.47Å; A170-S172 PolarHBondContact O-N 2.73Å
171F32.8Very low33.9Very low157 Ų157144.1 Ų144.169%0.68975%0.752SS**  trans-62.790.3164.3-78.3-80.1000107.7L169 Y173L169-F171 VanDerWaalsContact C-N 3.31Å; L169-F171 HydrophobicContact CD2-CD2 4.23Å; L169-F171 HydrophobicContact CD2-CE2 3.49Å; L169-F171 VanDerWaalsContact CD2-CE2 3.49Å; L169-F171 HydrophobicContact CD2-CZ 3.88Å; L169-F171 PolarHBondContact O-N 2.96Å; F171-Y173 HydrophobicContact CB-CD2 4.4Å; F171-Y173 HydrophobicContact CB-CE2 4.24Å; F171-Y173 PolarHBondContact O-N 2.04Å; F171-Y173 VanDerWaalsContact O-N 3.15Å
172S30.3Very low34Very low97 Ų97145 Ų14568%0.67875%0.749SS**  trans-65.1105.6166.452.60000108A170 D174A170-S172 PolarHBondContact O-N 2.73Å; S172-D174 PolarHBondContact O-N 3.25Å
173Y34.9Very low33.8Very low193 Ų193141.1 Ų141.176%0.75774%0.743SS**  trans-79.827.8171.1-88.8-85.1000112.8F171 S175F171-Y173 HydrophobicContact CB-CD2 4.4Å; F171-Y173 HydrophobicContact CB-CE2 4.24Å; F171-Y173 PolarHBondContact O-N 2.04Å; F171-Y173 VanDerWaalsContact O-N 3.15Å; Y173-S175 VanDerWaalsContact C-N 3.31Å; Y173-S175 PolarHBondContact O-N 3.15Å
174D39.5Very low33.8Very low160 Ų160142.9 Ų142.986%0.85674%0.744SS**  trans-9526.5179.5-103.2-8.6000113.4S172S172-D174 PolarHBondContact O-N 3.25Å
175S32.4Very low33.8Very low102 Ų102140.3 Ų140.371%0.71374%0.74SS**  trans-135.244.4174.3-49.20000111.9Y173 N177Y173-S175 VanDerWaalsContact C-N 3.31Å; Y173-S175 PolarHBondContact O-N 3.15Å; S175-N177 PolarHBondContact O-N 3.29Å
176I38.7Very low33.9Very low142 Ų142141.6 Ų141.673%0.72874%0.743SS**  trans-88.872.8151-51.4174.7000105.7P178I176-P178 WeakPolarHBondContact O-CD 3.27Å
177N32.5Very low33.7Very low135 Ų135138.7 Ų138.772%0.72274%0.737SS**  trans-58.1122.4157.6-96.8-20.2000105.9S175 D179S175-N177 PolarHBondContact O-N 3.29Å; N177-D179 VanDerWaalsContact C-N 3.32Å; N177-D179 PolarHBondContact O-N 2.06Å
178P38.4Very low33.8Very low80 Ų80138.2 Ų138.252%0.51974%0.74SS.*  trans-64103.7166.526.7-30.4000106I176 Y180I176-P178 WeakPolarHBondContact O-CD 3.27Å; P178-Y180 HydrophobicContact CB-CD2 4.14Å; P178-Y180 HydrophobicContact CB-CE2 3.95Å; P178-Y180 HydrophobicContact CG-CD2 3.99Å; P178-Y180 HydrophobicContact CG-CE2 3.54Å; P178-Y180 VanDerWaalsContact O-CD2 3.26Å; P178-Y180 WeakPolarHBondContact O-CD2 3.23Å; P178-Y180 PolarHBondContact O-N 3.22Å
179D34Very low33.8Very low149 Ų149141.7 Ų141.780%0.79774%0.742SS**  trans-58.891.3161.9-82.6-35000106.8N177 H181N177-D179 VanDerWaalsContact C-N 3.32Å; N177-D179 PolarHBondContact O-N 2.06Å; D179-H181 PolarHBondContact O-N 3.46Å
180Y33.3Very low33.9Very low191 Ų191143.2 Ų143.275%0.74975%0.751SS**  trans-67.185.7165.7-78.2-84000106.8P178 I182P178-Y180 HydrophobicContact CB-CD2 4.14Å; P178-Y180 HydrophobicContact CB-CE2 3.95Å; P178-Y180 HydrophobicContact CG-CD2 3.99Å; P178-Y180 HydrophobicContact CG-CE2 3.54Å; P178-Y180 VanDerWaalsContact O-CD2 3.26Å; P178-Y180 WeakPolarHBondContact O-CD2 3.23Å; P178-Y180 PolarHBondContact O-N 3.22Å; Y180-I182 PolarHBondContact O-N 3.22Å
181H31.6Very low34.1Very low167 Ų167143.5 Ų143.577%0.77375%0.748SS**  trans-67.386.4153.7-103.4-78.3000107.1D179 N183D179-H181 PolarHBondContact O-N 3.46Å; H181-N183 PolarHBondContact O-N 2.91Å
182I32.9Very low34.1Very low127 Ų127147.6 Ų147.665%0.65176%0.759SS**  trans-68.590.1161.8-56.9171.7000104.9Y180 K184Y180-I182 PolarHBondContact O-N 3.22Å; I182-K184 HydrophobicContact CG2-CG 3.93Å; I182-K184 PolarHBondContact O-N 3.43Å
183N29.6Very low34.4Very low134 Ų134150 Ų15072%0.71776%0.76SS**  trans-62.397.6160-82.9-13.2000106.2H181 D185H181-N183 PolarHBondContact O-N 2.91Å; N183-D185 PolarHBondContact O-N 2.88Å
184K31.7Very low34.5Very low184 Ų184147.8 Ų147.880%0.876%0.759SS**  trans-72.659.8170-79.1-174.3175.5176.20109.3I182I182-K184 HydrophobicContact CG2-CG 3.93Å; I182-K184 PolarHBondContact O-N 3.43Å
185D32.4Very low34.3Very low145 Ų145150.4 Ų150.478%0.77576%0.759SS**  trans-149.774169.6-79.8-43.3000107.7N183N183-D185 PolarHBondContact O-N 2.88Å
186T36.1Very low34.4Very low139 Ų139150.6 Ų150.685%0.85376%0.756SS**  trans176.8108.8139.724.90000109.1D188T186-D188 PolarHBondContact O-N 3.32Å
187S31.6Very low34.1Very low106 Ų106149.3 Ų149.374%0.74176%0.755SS**  trans-47.8118.8153.4144.50000109.1
188D35.2Very low34.1Very low155 Ų155149.9 Ų149.983%0.82976%0.758SS**  trans-159.4123.4136.8-94.4-26.8000111.4T186T186-D188 PolarHBondContact O-N 3.32Å
189K34.7Very low33.7Very low194 Ų194153.1 Ų153.184%0.84377%0.771SS**  trans-72139.9177-64.8176.8176.8176.10108.7
190N35Very low33.7Very low167 Ų167156.4 Ų156.489%0.89377%0.772SS**  trans85.468.6167.4-55.3-12.6000118.1
191S37.8Very low33.8Very low90 Ų90153.8 Ų153.863%0.62978%0.776SS**  trans-131106.6146.359.30000110.6E193S191-E193 VanDerWaalsContact C-N 3.25Å; S191-E193 PolarHBondContact O-N 3.5Å
192R34.2Very low33.8Very low242 Ų242153.7 Ų153.791%0.91377%0.773SS**  trans-70.585.2167.1-171.7179.8-174.9178.62.9106.7I194R192-I194 PolarHBondContact O-N 2.87Å; R192-I194 VanDerWaalsContact O-N 3.1Å
193E36.8Very low33.9Very low149 Ų149153.7 Ų153.770%0.69678%0.781SS**  trans-67110.8-176.3-72.2-169.3164.900111.1S191 Y195S191-E193 VanDerWaalsContact C-N 3.25Å; S191-E193 PolarHBondContact O-N 3.5Å; E193-Y195 PolarHBondContact O-N 2.88Å
194I35.9Very low34.2Very low146 Ų146157.4 Ų157.475%0.74979%0.791SS**  trans-69.8107.5170.6-63.2164.6000106.4R192 T196R192-I194 PolarHBondContact O-N 2.87Å; R192-I194 VanDerWaalsContact O-N 3.1Å; I194-T196 VanDerWaalsContact C-N 3.35Å; I194-T196 HydrophobicContact CG2-CG2 4.27Å; I194-T196 PolarHBondContact O-N 3.48Å
195Y35.5Very low34.2Very low214 Ų214151.8 Ų151.884%0.83979%0.785SS**  trans-6190.8171.8-61.9-84.3000110.7E193E193-Y195 PolarHBondContact O-N 2.88Å
196T34Very low34.4Very low106 Ų106153 Ų15365%0.6579%0.791SS**  trans-92.797160.950.50000108.8I194 N198I194-T196 VanDerWaalsContact C-N 3.35Å; I194-T196 HydrophobicContact CG2-CG2 4.27Å; I194-T196 PolarHBondContact O-N 3.48Å; T196-N198 VanDerWaalsContact C-N 3.32Å; T196-N198 PolarHBondContact O-N 2.87Å
197T33.4Very low34.3Very low116 Ų116154.8 Ų154.871%0.71279%0.794SS**  trans-67.585.3170.152.90000109.9N199T197-N199 PolarHBondContact O-N 3.21Å
198N31.7Very low34.1Very low146 Ų146157.1 Ų157.178%0.78180%0.798SS**  trans-85.888.7163-80.9-32.2000108.3T196 R200T196-N198 VanDerWaalsContact C-N 3.32Å; T196-N198 PolarHBondContact O-N 2.87Å; N198-R200 PolarHBondContact O-N 3.04Å
199N30.7Very low34Very low148 Ų148155 Ų15579%0.79179%0.793SS**  trans-6494.1169.5-75.2-10.5000109.6T197T197-N199 PolarHBondContact O-N 3.21Å
200R32.9Very low33.6Very low219 Ų219155.9 Ų155.983%0.82680%0.797SS**  trans-133.769.5161-156.8178.3-169.2-174.14.1108.4N198 K202N198-R200 PolarHBondContact O-N 3.04Å; R200-K202 PolarHBondContact O-N 3.03Å; R200-K202 VanDerWaalsContact O-N 3.12Å
201V35.1Very low33.5Very low136 Ų136153.3 Ų153.382%0.82479%0.792SS**  trans-70.1105.2174.5-179.20000107.8
202K33.4Very low33.1Very low165 Ų165157.6 Ų157.672%0.71780%0.802SS**  trans-86.9134.8157.9-72.3-174.6174.1-172.50107.3R200 K204R200-K202 PolarHBondContact O-N 3.03Å; R200-K202 VanDerWaalsContact O-N 3.12Å; K202-K204 PolarHBondContact O-N 2.99Å
203P33.6Very low32.7Very low126 Ų126156.1 Ų156.182%0.81880%0.802SS**  trans-68.6119.817927.5-31.5000109.4G205P203-G205 PolarHBondContact O-N 3.25Å
204K36.9Very low32.4Very low212 Ų212156.9 Ų156.992%0.92281%0.81SS**  trans-78.8114.1168.9-84.3-175.7173.8-179.50107.8K202K202-K204 PolarHBondContact O-N 2.99Å
205G31.6Very low32Very low66 Ų66159.3 Ų159.368%0.6882%0.815SS**  trans-64.8140.4170.400000112P203P203-G205 PolarHBondContact O-N 3.25Å
206L35.7Very low31.4Very low172 Ų172154.4 Ų154.490%0.90181%0.812SS**  trans26.199.8141.6-70.6155.2000116.1N208L206-N208 PolarHBondContact O-N 3.46Å; L206-N208 VanDerWaalsContact O-N 3.15Å
207L34.1Very low31.2Very low175 Ų175155 Ų15592%0.91682%0.818SS**  trans-63.8106.6157.6-75.3161.3000108.2
208N29Very low30.6Very low155 Ų155158 Ų15883%0.82982%0.824SS**  trans-66.8124.3169.8-135.6-0.9000108.3L206L206-N208 PolarHBondContact O-N 3.46Å; L206-N208 VanDerWaalsContact O-N 3.15Å
209P32.2Very low30.7Very low110 Ų110157.8 Ų157.871%0.71483%0.827SS**  trans-68.7137.6175.427.9-31.1000109.6S211P209-S211 PolarHBondContact O-N 2.99Å; P209-S211 VanDerWaalsContact O-N 3.11Å
210K26.5Very low30.4Very low213 Ų213157.2 Ų157.293%0.92683%0.829SS**  trans-54.5112.9173.5-67.2171.2176.2175.50109.1
211S33Very low30.2Very low114 Ų114150.3 Ų150.380%0.79783%0.826SS**  trans-108.3119.6161.563.60000108.6P209P209-S211 PolarHBondContact O-N 2.99Å; P209-S211 VanDerWaalsContact O-N 3.11Å
212E28.6Very low29.8Very low180 Ų180153 Ų15384%0.84183%0.827SS**  trans-63.4152.5-178.8-68.3169.3157.500112.5I214E212-I214 PolarHBondContact O-N 3.19Å
213F27.3Very low29.4Very low210 Ų210152.4 Ų152.492%0.92183%0.831SS**  trans-49118.2178.6-75.5-102.4000113.6
214I30.5Very low29.4Very low166 Ų166155 Ų15585%0.85184%0.837SS**  trans-128.2116.3151.5-57.6179.4000107.8E212E212-I214 PolarHBondContact O-N 3.19Å
215K27.4Very low28.8Very low196 Ų196152.5 Ų152.585%0.85283%0.833SS**PPolyproline II helixtrans-59.8127.1-179.3-67.5169.1176175.90110.3
216S23.2Very low29Very low111 Ų111154.2 Ų154.278%0.77683%0.832SS**PPolyproline II helixtrans-78.8141.2162.966.70000110.1
217P28.9Very low28.9Very low120 Ų120154 Ų15478%0.77983%0.83SS**PPolyproline II helixtrans-85136.3157.428.7-20.6000109.8
218Q21.7Very low28.6Very low178 Ų178152 Ų15283%0.83283%0.825SS**PPolyproline II helixtrans-58.9134.5166.9-64.7178.1-23.400110.7
219V33Very low28.8Very low141 Ų141150.3 Ų150.386%0.85583%0.825SS**  trans-143.9110.3141-170.40000109.1
220T24.5Very low28.6Very low137 Ų137150.1 Ų150.184%0.8483%0.826SS**  trans-76.8118.9166.8-18.90000107.7
221G27.8Very low28.7Very low73 Ų73145.3 Ų145.375%0.75382%0.815SS**  trans-158.8120.3-179.600000112.1
222K27.1Very low28.7Very low194 Ų194148.7 Ų148.784%0.84382%0.82SS**  trans-87.3154.3-175.5-59.4166.4-179.6176.40110.4
223N25.9Very low28.5Very low151 Ų151145.6 Ų145.681%0.80781%0.814SS**  trans71.7105.9157.1-58.4-14.6000119.1
224L33.2Very low28.6Very low180 Ų180141.7 Ų141.794%0.94281%0.813SS**  trans-141.6112.9146-74.3173.6000110.5
225I24.8Very low28.5Very low161 Ų161139.5 Ų139.583%0.82681%0.807SS**  trans-122.1150.3153.4-64.3171.4000102.8
226P34.7Very low28.4Very low102 Ų102135.6 Ų135.666%0.66280%0.804SS**  cis-129.7-175.88.321.93.9000112.9
227I32.9Very low28.7Very low167 Ų167134.5 Ų134.586%0.85680%0.802SS**  -163.7126.1118.2-85.9145.6000108.1
228T28.7Very low28.7Very low132 Ų132136.6 Ų136.681%0.8181%0.805SS**  trans-73.8136.7173.446.20000111.7
229S33.1Very low29.1Very low121 Ų121132.3 Ų132.385%0.84680%0.8SS**  trans-117.7113.9156.360.50000110.2
230S27.9Very low29.2Very low105 Ų105130.4 Ų130.473%0.73479%0.791SS**  trans-35.6125.7165.4176.10000114.2
231V28Very low29.4Very low113 Ų113131.6 Ų131.669%0.68579%0.792SS**  41.7108.399.6-174.90000114.9
232M33.6Very low29.8Very low184 Ų184135 Ų13591%0.90680%0.798SS**  trans-142.6119135.8-87.2-73.1159.600107.5
233T25Very low30Very low116 Ų116128.6 Ų128.671%0.71279%0.787SS**  trans-68.1138.2172.86.10000110.4
234S29.6Very low30.4Very low128 Ų128129.5 Ų129.590%0.89579%0.792SS**  trans-137.7101.2156.8-70.60000107.6
235T27.4Very low30.5Very low120 Ų120128.6 Ų128.674%0.73679%0.788SS**  trans-87.6148.1178.7-16.60000109.9
236S24.8Very low31.1Very low114 Ų114128.2 Ų128.280%0.79779%0.786SS**  trans6499156.961.60000119.2
237A29.9Very low31.2Very low87 Ų87131.7 Ų131.772%0.71980%0.798SS**  trans-156.6113.8131.100000110.6
238I29.4Very low31.2Very low164 Ų164131.8 Ų131.884%0.84180%0.799SS**  trans53.290.3135.7-49.1168.2000115.4
239A29.7Very low31.3Very low88 Ų88128.4 Ų128.473%0.72779%0.791SS**  84.3151.378.900000113.8
240P35.9Very low31.6Very low102 Ų102131 Ų13166%0.66280%0.795SS**  -136.3169.2-86.230.1-8.2000114.3
241N27.7Very low32.1Very low162 Ų162132 Ų13287%0.86680%0.796SS**  trans30.997.5146.9-59.3-18.2000118.6
242T35.8Very low32.4Very low145 Ų145135.5 Ų135.589%0.8980%0.804SS**  trans-150.2127.5156.621.80000105.1
243G31Very low32.5Very low59 Ų59135.8 Ų135.861%0.60880%0.804SS**  cis169.689.26.500000104.4D245G243-D245 PolarHBondContact O-N 3.4Å
244D34.4Very low32.9Very low169 Ų169139.6 Ų139.690%0.90481%0.81SS**SBendtrans-84.733.7-179.3-77.2-22.5000112.5
245D36.5Very low33.5Very low162 Ų162139.4 Ų139.487%0.86681%0.809SS**  trans-127.935-177.2-87.9-28.5000114G243G243-D245 PolarHBondContact O-N 3.4Å
246I36.5Very low34.1Very low152 Ų152140 Ų14078%0.77981%0.813SS**  trans-128.358.4167.3-43.1178.5000110.6
247L36.4Very low34.5Very low176 Ų176143 Ų14392%0.92181%0.814SS**  trans-98.120161.7-95.4165.7000112.5
248L34.4Very low34.7Very low168 Ų168142.8 Ų142.888%0.8881%0.807SS**  trans-114.496.7164.6-85.597.8000110
249G30.9Very low35.3Very low62 Ų62144 Ų14464%0.63981%0.809SS**  trans170.758.9172.400000115.4
250L38.2Very low35.7Very low176 Ų176147.1 Ų147.192%0.92181%0.813SS**  trans-150.479.1150-104.4143000109.5
251V38.8Very low36.1Very low126 Ų126147.4 Ų147.476%0.76482%0.818SS**  trans-46.2136.4161.3171.10000110.5Q253V251-Q253 PolarHBondContact O-N 3.05Å
252H33.8Very low36.5Very low185 Ų185144.7 Ų144.786%0.85681%0.812SS**  trans-32118.3171.1-59.2137.2000114.9
253Q37.2Very low36.6Very low191 Ų191145.2 Ų145.289%0.89381%0.808SS**  trans-102.7112.2154-79.2-169.2-14.400109.6V251 S255V251-Q253 PolarHBondContact O-N 3.05Å; Q253-S255 PolarHBondContact O-N 3.11Å
254K32.8Very low36.9Very low195 Ų195147.8 Ų147.885%0.84882%0.816SS**  trans-75.1110.5-177.2-152.7169179.9-178.60107.1T256K254-T256 PolarHBondContact O-N 3.04Å; K254-T256 VanDerWaalsContact O-N 3.08Å
255S41.9Very low37.1Very low124 Ų124147.7 Ų147.787%0.86781%0.812SS**  trans-67.2108.4171-58.40000108.5Q253Q253-S255 PolarHBondContact O-N 3.11Å
256T40.4Very low37.3Very low134 Ų134145.3 Ų145.382%0.82281%0.805SS**  trans-72140.117346.30000110.8K254K254-T256 PolarHBondContact O-N 3.04Å; K254-T256 VanDerWaalsContact O-N 3.08Å
257E33.8Very low37.1Very low176 Ų176143.3 Ų143.382%0.82281%0.805SS**  trans-59.4149.1176.2175.2-177.2161.700114.9
258S33.9Very low37.2Very low82 Ų82141 Ų14157%0.57380%0.798SS**  trans57.9134.4153720000122.1
259H42.2Very low37.4Very low189 Ų189139.1 Ų139.188%0.87579%0.794SS**  trans-143.6119.3130.1-79.8-57.4000109.6S261H259-S261 PolarHBondContact O-N 2.98Å
260D37.2Very low37.7Very low154 Ų154141.2 Ų141.282%0.82480%0.798SS**  trans-43.6114.7168-78.3-63.5000112.1
261S45.3Very low37.6Very low108 Ų108138.5 Ų138.576%0.75579%0.794SS**  trans-97.490.2157.6-64.50000107.4H259 I263H259-S261 PolarHBondContact O-N 2.98Å; S261-I263 PolarHBondContact O-N 3.43Å
262S34.5Very low37.3Very low106 Ų106136 Ų13674%0.74179%0.793SS**  trans-62.593.2169.228.70000109.7S264S262-S264 PolarHBondContact O-N 2.92Å; S262-S264 VanDerWaalsContact O-N 3.11Å
263I38.2Very low37.1Very low156 Ų156130.7 Ų130.780%0.879%0.789SS**  trans-73.3102.7168.9-56.6170000106.6S261 M265S261-I263 PolarHBondContact O-N 3.43Å; I263-M265 PolarHBondContact O-N 3.48Å
264S37.7Very low36.7Very low112 Ų112126.8 Ų126.878%0.78378%0.783SS**  trans-63.4113.9173.1-66.30000109.1S262S262-S264 PolarHBondContact O-N 2.92Å; S262-S264 VanDerWaalsContact O-N 3.11Å
265M39.1Very low36.8Very low167 Ų167122.5 Ų122.582%0.82378%0.775SS**  trans-69.2134173.5-82-171.655.600110.5I263 S267I263-M265 PolarHBondContact O-N 3.48Å; M265-S267 PolarHBondContact O-N 3.37Å
266P39.3Very low36.5Very low112 Ų112126.2 Ų126.273%0.72777%0.771SS**  trans-69.2129.7172.827.3-31.6000110.4V268P266-V268 PolarHBondContact O-N 2.94Å
267S33.1Very low36.2Very low110 Ų110126 Ų12677%0.76977%0.77SS**  trans-66.3114.5173.7-390000109.4M265 T269M265-S267 PolarHBondContact O-N 3.37Å; S267-T269 PolarHBondContact O-N 3.49Å
268V39.7Very low36Very low129 Ų129123.3 Ų123.378%0.78277%0.771SS**  trans-74.590171.3-177.70000107.7P266 S270P266-V268 PolarHBondContact O-N 2.94Å; V268-S270 VanDerWaalsContact C-N 3.26Å; V268-S270 PolarHBondContact O-N 2.95Å
269T37.5Very low35.8Very low128 Ų128127.7 Ų127.779%0.78579%0.787SS**  trans-73.989.3161.251.10000107.3S267 S271S267-T269 PolarHBondContact O-N 3.49Å; T269-S271 VanDerWaalsContact C-N 3.33Å; T269-S271 PolarHBondContact O-N 3.31Å; T269-S271 VanDerWaalsContact O-N 3.07Å
270S36.6Very low35Very low105 Ų105121.7 Ų121.773%0.73478%0.776SS**  trans-7294165.642.90000107.7V268 G272V268-S270 VanDerWaalsContact C-N 3.26Å; V268-S270 PolarHBondContact O-N 2.95Å; S270-G272 PolarHBondContact O-N 3.35Å
271S36.4Very low34.6Very low120 Ų120120 Ų12084%0.83978%0.777SS**  trans-6876.4161.448.30000108.5T269 G273T269-S271 VanDerWaalsContact C-N 3.33Å; T269-S271 PolarHBondContact O-N 3.31Å; T269-S271 VanDerWaalsContact O-N 3.07Å; S271-G273 PolarHBondContact O-N 3.01Å
272G34.1Very low33.7Very low72 Ų72126.5 Ų126.574%0.74279%0.785SS**  trans-71.6103.3165.500000108.5S270S270-G272 PolarHBondContact O-N 3.35Å
273G27.9Very low33.7Very low74 Ų74129.6 Ų129.676%0.76379%0.792SS**  trans-56.9133.9176.900000112.1S271S271-G273 PolarHBondContact O-N 3.01Å
274S29.7Very low33.2Very low109 Ų109129.9 Ų129.976%0.76279%0.794SS**  trans-84.2128.5168.1174.50000109.5
275P34.9Very low32.9Very low105 Ų105135.7 Ų135.768%0.68280%0.799SS**  trans-115.481.116436.3-21.5000109.2
276Y35.1Very low32.5Very low203 Ų203136.6 Ų136.680%0.79680%0.801SS**  trans-138.597.3160.8-75.3-74.4000110.6S278Y276-S278 PolarHBondContact O-N 2.93Å
277T34.8Very low32.2Very low129 Ų129138.7 Ų138.779%0.79181%0.806SS**  trans18100.5142.955.70000116.5L279T277-L279 PolarHBondContact O-N 2.9Å; T277-L279 VanDerWaalsContact O-N 3.17Å
278S29.9Very low32Very low120 Ų120143.1 Ų143.184%0.83981%0.811SS**  trans-6696.3153.8172.40000109.3Y276Y276-S278 PolarHBondContact O-N 2.93Å
279L28.8Very low31.8Very low173 Ų173146.1 Ų146.191%0.90681%0.814SS**  trans-169.4116.5155.8-111.1140000109.7T277T277-L279 PolarHBondContact O-N 2.9Å; T277-L279 VanDerWaalsContact O-N 3.17Å
280G25.7Very low31.5Very low63 Ų63148.7 Ų148.765%0.64982%0.817SS**  trans122.196.8151.600000116.7
281S29.1Very low31.2Very low120 Ų120150.3 Ų150.384%0.83982%0.818SS**  85.2101.8128.1-47.40000118.9L283S281-L283 PolarHBondContact O-N 3.27Å
282R26.8Very low31.1Very low244 Ų244154.3 Ų154.392%0.92182%0.82SS**  trans-8.8123.1136.1-75.8176.3168.4-168.2-3.4114
283L33.8Very low31Very low171 Ų171158 Ų15890%0.89582%0.822SS**  trans-159121130.2-105.9162.6000109.9S281S281-L283 PolarHBondContact O-N 3.27Å
284L28.3Very low31.2Very low162 Ų162165.2 Ų165.285%0.84883%0.828SS**  trans-44.5134.1160.4-9868.4000110.8
285R31.3Very low31.5Very low234 Ų234171 Ų17188%0.88383%0.833SS**  -164.8118.6125.1-112.5175.1166.9-170.3-4.4111.2N287R285-N287 PolarHBondContact O-N 3.01Å
286Q30.9Very low31.6Very low185 Ų185170.1 Ų170.186%0.86483%0.829SS**  trans-51.5131.3158.2-69.9172.1-26.500109.3
287N32.1Very low31.9Very low156 Ų156166.2 Ų166.283%0.83483%0.826SS**  trans-149.1106144.9-94.6-43.9000109R285R285-N287 PolarHBondContact O-N 3.01Å
288K29.8Very low31.8Very low203 Ų203168 Ų16888%0.88383%0.826SS**  trans-65.1126.9155.8-72.4177.9172.6-178.80107.6
289K34.2Very low32.3Very low193 Ų193167.7 Ų167.784%0.83982%0.818SS**  trans-171.7121.7134.2-105.7173.2-177.7-174.80109.3D291K289-D291 PolarHBondContact O-N 2.9Å
290E30.6Very low32.5Very low182 Ų182165.5 Ų165.585%0.8581%0.808SS**  trans-57.3120.2163.5-60.2168.6174.200108.1
291D31Very low32.8Very low139 Ų139171.7 Ų171.774%0.74382%0.817SS**  trans-135.8108.3157.2-93.3-37.4000109.2K289 L293K289-D291 PolarHBondContact O-N 2.9Å; D291-L293 PolarHBondContact O-N 3.18Å
292K34.8Very low33Very low203 Ų203176 Ų17688%0.88382%0.817SS**  trans-62.997.1166.6-66.6164-179.6171.10107.4
293L32.7Very low33.2Very low151 Ų151170.2 Ų170.279%0.79181%0.808SS**  trans-114.499.5166.2-71.2174.9000109.9D291 R295D291-L293 PolarHBondContact O-N 3.18Å; L293-R295 PolarHBondContact O-N 3.49Å; L293-R295 VanDerWaalsContact O-N 3.14Å
294Y31.3Very low33.1Very low224 Ų224169.6 Ų169.688%0.87881%0.806SS**  trans-22.3109.1144.5-118.3-102.2000110.9S296Y294-S296 PolarHBondContact O-N 2.99Å
295R34.8Very low33.6Very low231 Ų231168.7 Ų168.787%0.87280%0.802SS**  trans-92.179.7171.5-151.9178.4-170.4-173.72.7108L293 T297L293-R295 PolarHBondContact O-N 3.49Å; L293-R295 VanDerWaalsContact O-N 3.14Å; R295-T297 PolarHBondContact O-N 3.41Å
296S38.7Very low33.8Very low87 Ų87165.5 Ų165.561%0.60880%0.803SS**  trans-61.3112.2159.7-640000107.1Y294 E298Y294-S296 PolarHBondContact O-N 2.99Å; S296-E298 VanDerWaalsContact C-N 3.34Å; S296-E298 PolarHBondContact O-N 3.1Å; S296-E298 VanDerWaalsContact O-N 3.14Å
297T40.5Very low34Very low120 Ų120159.2 Ų159.274%0.73679%0.787SS**  trans-81.589.7171.624.90000107.6R295 V299R295-T297 PolarHBondContact O-N 3.41Å; T297-V299 PolarHBondContact O-N 3.33Å
298E32.7Very low34.3Very low168 Ų168160.2 Ų160.279%0.78579%0.791SS**  trans-64.3116.4160.650.4-159.9148.100109.1S296 N300S296-E298 VanDerWaalsContact C-N 3.34Å; S296-E298 PolarHBondContact O-N 3.1Å; S296-E298 VanDerWaalsContact O-N 3.14Å; E298-N300 PolarHBondContact O-N 3.07Å
299V40.1Very low34.6Very low112 Ų112159.9 Ų159.968%0.67979%0.789SS**  trans-77.9100177.6174.10000107.3T297 F301T297-V299 PolarHBondContact O-N 3.33Å; V299-F301 PolarHBondContact O-N 3.22Å
300N34.1Very low34.7Very low127 Ų127159.2 Ų159.268%0.67979%0.789SS**  trans-72118.4167.7-89-22.8000109.6E298 Y302E298-N300 PolarHBondContact O-N 3.07Å; N300-Y302 HydrophobicContact CB-CD2 4.3Å; N300-Y302 PolarHBondContact O-N 2.86Å
301F31.3Very low35.2Very low194 Ų194155.1 Ų155.185%0.85178%0.78SS**  trans-75.196.9165-68.6-89.9000108.4V299V299-F301 PolarHBondContact O-N 3.22Å
302Y32.8Very low35.7Very low211 Ų211157.5 Ų157.583%0.82779%0.787SS**  trans-93.4116.5156.4-88.9-88.2000108.1N300N300-Y302 HydrophobicContact CB-CD2 4.3Å; N300-Y302 PolarHBondContact O-N 2.86Å
303T31Very low36.2Very low121 Ų121155.7 Ų155.774%0.74278%0.782SS**  trans-57.7126163.636.80000110.1
304D32.8Very low36.6Very low159 Ų159156.1 Ų156.185%0.8578%0.779SS**  trans-166.2142.6139.1-92.4-23.2000109.8
305D37.1Very low37.5Very low143 Ų143151.8 Ų151.877%0.76577%0.77SS**  trans-56.5142.8-154.9-73.9-57.4000119.1G307D305-G307 PolarHBondContact O-N 3.47Å
306D37.3Very low38.4Very low167 Ų167145.6 Ų145.689%0.89376%0.758SS**  trans41.147.8136.2-70.7-16.8000119.7
307G33.7Very low39.3Very low53 Ų53152.2 Ų152.255%0.54677%0.77SS.*  trans-109.1120.7148.700000108.5D305 K309D305-G307 PolarHBondContact O-N 3.47Å; G307-K309 PolarHBondContact O-N 3.36Å
308I39.8Very low40Very low176 Ų176153.9 Ų153.990%0.90376%0.762SS**  trans-61.176.9172.3-57.5165.7000108.1Q310I308-Q310 PolarHBondContact O-N 3.47Å; I308-Q310 VanDerWaalsContact O-N 3.16Å
309K35.9Very low41Very low196 Ų196149.4 Ų149.485%0.85275%0.75SS**  trans-73.9108.2171.4-75.4-172.5178.3177.70104.8G307 S311G307-K309 PolarHBondContact O-N 3.36Å; K309-S311 PolarHBondContact O-N 2.8Å; K309-S311 VanDerWaalsContact O-N 3.11Å
310Q36.6Very low41.9Very low180 Ų180149 Ų14984%0.84175%0.752SS**  trans-41.3122.7173.2-66.6-177.1-12.500107.6I308 E312I308-Q310 PolarHBondContact O-N 3.47Å; I308-Q310 VanDerWaalsContact O-N 3.16Å; Q310-E312 PolarHBondContact O-N 3.29Å
311S40.7Very low42.5Very low95 Ų95151.2 Ų151.266%0.66475%0.752SS**  trans-50.4109.5173.455.70000106.1K309 Q313K309-S311 PolarHBondContact O-N 2.8Å; K309-S311 VanDerWaalsContact O-N 3.11Å; S311-Q313 PolarHBondContact O-N 3.21Å
312E41.6Very low43.5Very low189 Ų189146.7 Ų146.788%0.88373%0.733SS**  trans-56.697.9175.2-146.8171.1-163.900104.2Q310 H314Q310-E312 PolarHBondContact O-N 3.29Å; E312-H314 PolarHBondContact O-N 3.18Å
313Q43.8Very low44.8Very low166 Ų166143.8 Ų143.878%0.77673%0.729SS**  trans-68.589.4177.7-84.2-177.1-12.800103.7S311 I315S311-Q313 PolarHBondContact O-N 3.21Å; Q313-I315 PolarHBondContact O-N 3Å
314H41.7Very low46.2Very low159 Ų159141.9 Ų141.974%0.73673%0.726SS**  trans-6093.9167.8-174.8-91.6000105.2E312 V316E312-H314 PolarHBondContact O-N 3.18Å; H314-V316 WeakPolarHBondContact ND1-CG2 3.14Å; H314-V316 PolarHBondContact O-N 2.95Å
315I50.2Low47.2Very low134 Ų134137.5 Ų137.569%0.68771%0.705SS**  trans-65.787.2172.7-61.4169.5000104.4Q313 R317Q313-I315 PolarHBondContact O-N 3Å; I315-R317 PolarHBondContact O-N 2.89Å
316V54.6Low47.8Very low101 Ų101133.2 Ų133.261%0.61270%0.695SS**  trans-61.797165.3-179.60000104.6H314 R318H314-V316 WeakPolarHBondContact ND1-CG2 3.14Å; H314-V316 PolarHBondContact O-N 2.95Å; V316-R318 VanDerWaalsContact C-N 3.28Å; V316-R318 PolarHBondContact O-N 2.81Å
317R56.2Low48.2Very low226 Ų226133.5 Ų133.585%0.85369%0.688SS**  trans-59.299167.5-76.5-174.4175.288.9-2.7105.7I315 S319I315-R317 PolarHBondContact O-N 2.89Å; R317-S319 PolarHBondContact O-N 3.08Å
318R55.1Low49.1Very low155 Ų155137.6 Ų137.659%0.58570%0.696SS**  trans-58127.5168-68.5-174.3176.2-145.6-1.1106.6V316 E322V316-R318 VanDerWaalsContact C-N 3.28Å; V316-R318 PolarHBondContact O-N 2.81Å; R318-E322 WeakPolarHBondContact CD-OE2 3.44Å; R318-E322 IonicContact NH1-OE2 2.73Å
319S54.5Low49.7Very low74 Ų74136.9 Ų136.952%0.51769%0.689SS.*  trans-60142.8175.161.20000108.5R317 Y321 E322R317-S319 PolarHBondContact O-N 3.08Å; S319-Y321 PolarHBondContact O-N 3.08Å; S319-E322 PolarHBondContact O-N 3.48Å
320S57.9Low50.3Low104 Ų104134.6 Ų134.673%0.72769%0.685SS**Hα-helixtrans-50.9-23.6-179.148.40000113.6E322 M323 A324S320-E322 PolarHBondContact O-N 3.35Å; S320-M323 PolarHBondContact O-N 3.47Å; S320-A324 PolarHBondContact O-N 2.92Å; S320-A324 VanDerWaalsContact O-N 3.17Å
321Y47.1Very low51.1Low172 Ų172130.8 Ų130.868%0.67568%0.676SS**Hα-helixtrans-64.6-34.4177.7-159.9-100.9000114S319 A324 T325S319-Y321 PolarHBondContact O-N 3.08Å; Y321-A324 PolarHBondContact O-N 3.31Å; Y321-T325 HydrophobicContact CD1-CG2 3.96Å; Y321-T325 HydrophobicContact CE1-CG2 3.6Å; Y321-T325 HydrophobicContact CE2-CG2 4.49Å; Y321-T325 WeakPolarHBondContact O-CG2 3.48Å; Y321-T325 PolarHBondContact O-N 3.26Å; Y321-T325 PolarHBondContact O-OG1 3.33Å
322E54.1Low51.7Low99 Ų99131.1 Ų131.146%0.46367%0.674SS.*Hα-helixtrans-70.5-34176.7-73.7-167.815700112.5R318 S319 S320 T325R318-E322 WeakPolarHBondContact CD-OE2 3.44Å; R318-E322 IonicContact NH1-OE2 2.73Å; S319-E322 PolarHBondContact O-N 3.48Å; S320-E322 PolarHBondContact O-N 3.35Å; E322-T325 PolarHBondContact O-OG1 2.98Å
323M58.2Low52.3Low150 Ų150129.8 Ų129.874%0.73967%0.668SS**Hα-helixtrans-70-36176-64.4-68.5-72.300111.3S320S320-M323 PolarHBondContact O-N 3.47Å
324A60.3Low52.7Low82 Ų82126 Ų12668%0.67865%0.652SS**Hα-helixtrans-74.9-33.7179.100000113.2S320 Y321 G326S320-A324 PolarHBondContact O-N 2.92Å; S320-A324 VanDerWaalsContact O-N 3.17Å; Y321-A324 PolarHBondContact O-N 3.31Å; A324-G326 PolarHBondContact O-N 3.32Å
325T55.1Low53.4Low66 Ų66125.9 Ų125.941%0.40565%0.652SS.*THydrogen-bonded Turntrans-81.28.1-17751.20000114.4Y321 E322 K327Y321-T325 HydrophobicContact CD1-CG2 3.96Å; Y321-T325 HydrophobicContact CE1-CG2 3.6Å; Y321-T325 HydrophobicContact CE2-CG2 4.49Å; Y321-T325 WeakPolarHBondContact O-CG2 3.48Å; Y321-T325 PolarHBondContact O-N 3.26Å; Y321-T325 PolarHBondContact O-OG1 3.33Å; E322-T325 PolarHBondContact O-OG1 2.98Å; T325-K327 PolarHBondContact O-N 3.24Å
326G49.9Very low54Low54 Ų54128.1 Ų128.156%0.55766%0.657SS**THydrogen-bonded Turntrans63.813.6163.700000115.2A324 I328A324-G326 PolarHBondContact O-N 3.32Å; G326-I328 PolarHBondContact O-N 2.81Å
327K46.3Very low54.2Low172 Ų172129 Ų12975%0.74865%0.653SS**  trans-76.258.4167.2-64.1-171.3-177.3-179.80109.2T325 E329T325-K327 PolarHBondContact O-N 3.24Å; K327-E329 PolarHBondContact O-N 2.98Å
328I52.6Low54.5Low140 Ų140124.2 Ų124.272%0.71864%0.638SS**  trans-67.294.6160.5-59.6172000103.8G326 L330G326-I328 PolarHBondContact O-N 2.81Å; I328-L330 PolarHBondContact O-N 2.9Å
329E51.1Low55.4Low160 Ų160124 Ų12475%0.74864%0.641SS**  trans-49.1111.9163.7-68.9-179.516800106K327 P331K327-E329 PolarHBondContact O-N 2.98Å; E329-P331 VanDerWaalsContact O-N 3.08Å
330L49Very low56.4Low148 Ų148127 Ų12778%0.77565%0.645SS**  trans-50.6126.3174.7-92.990.9000105.8I328 V332I328-L330 PolarHBondContact O-N 2.9Å; L330-V332 VanDerWaalsContact C-N 3.35Å; L330-V332 PolarHBondContact O-N 3.45Å
331P54.1Low56.9Low100 Ų100130.8 Ų130.865%0.64964%0.644SS**  trans-57.7106.7-177.920.9-30.5000106.7E329 E333E329-P331 VanDerWaalsContact O-N 3.08Å; P331-E333 PolarHBondContact O-N 2.64Å; P331-E333 VanDerWaalsContact O-N 3.12Å
332V52.5Low58.3Low102 Ų102129.2 Ų129.262%0.61864%0.641SS**  trans-45.9126.4176.6179.40000105.5L330 N334L330-V332 VanDerWaalsContact C-N 3.35Å; L330-V332 PolarHBondContact O-N 3.45Å; V332-N334 WeakPolarHBondContact CG1-OD1 3.49Å; V332-N334 PolarHBondContact O-N 3.18Å
333E53.9Low59.3Low162 Ų162130.8 Ų130.876%0.75765%0.648SS**  trans-66.267178.2-167.4-176.4172.500108P331 Q335P331-E333 PolarHBondContact O-N 2.64Å; P331-E333 VanDerWaalsContact O-N 3.12Å; E333-Q335 PolarHBondContact O-N 3.15Å
334N53.6Low60Low85 Ų85125.6 Ų125.646%0.45563%0.629SS.*  trans-67.5106.6-179.3-76.6-26.6000104V332 K336 K337V332-N334 WeakPolarHBondContact CG1-OD1 3.49Å; V332-N334 PolarHBondContact O-N 3.18Å; N334-K336 CarbonylContact O-C 3.56Å; N334-K336 PolarHBondContact O-N 3.1Å; N334-K337 PolarHBondContact O-N 2.82Å
335Q56.1Low60.8Low157 Ų157127.5 Ų127.573%0.73463%0.627SS**Hα-helixtrans-47.5-24.5178.3-63.6-174.9-0.500112.5E333 K338 K339E333-Q335 PolarHBondContact O-N 3.15Å; Q335-K338 PolarHBondContact O-N 3.22Å; Q335-K339 PolarHBondContact O-N 2.93Å; Q335-K339 VanDerWaalsContact O-N 3.13Å
336K61.9Low61.7Low182 Ų182128.8 Ų128.879%0.79164%0.637SS**Hα-helixtrans-53-45.9168.5-65-172.4178.5-177.50113.4N334 K338 K339 F340N334-K336 CarbonylContact O-C 3.56Å; N334-K336 PolarHBondContact O-N 3.1Å; K336-K338 PolarHBondContact O-N 3.37Å; K336-K339 PolarHBondContact O-N 2.75Å; K336-F340 PolarHBondContact O-N 2.78Å
337K59.1Low62.9Low120 Ų120129.9 Ų129.952%0.52263%0.633SS.*Hα-helixtrans-63.3-40.3177.4-71.7-173.4177.41790111.9N334 K339 F340 W341N334-K337 PolarHBondContact O-N 2.82Å; K337-K339 VanDerWaalsContact C-N 3.32Å; K337-K339 PolarHBondContact O-N 3.47Å; K337-F340 PolarHBondContact O-N 2.71Å; K337-W341 PolarHBondContact O-N 3.15Å
338K62.2Low64.2Low124 Ų124127.2 Ų127.254%0.53963%0.627SS.*Hα-helixtrans-66.1-35178.4-166.8174-172.41680112.2Q335 K336 K342Q335-K338 PolarHBondContact O-N 3.22Å; K336-K338 PolarHBondContact O-N 3.37Å; K338-K342 WeakPolarHBondContact O-CG 3.33Å; K338-K342 PolarHBondContact O-N 3.47Å
339K74.2Confident65.2Low151 Ų151127.2 Ų127.266%0.65762%0.622SS**Hα-helixtrans-66.1-46.6171.9-72.1-173.9179-176.10111.1Q335 K336 K337 W341 K342 E343Q335-K339 PolarHBondContact O-N 2.93Å; Q335-K339 VanDerWaalsContact O-N 3.13Å; K336-K339 PolarHBondContact O-N 2.75Å; K337-K339 VanDerWaalsContact C-N 3.32Å; K337-K339 PolarHBondContact O-N 3.47Å; K339-W341 PolarHBondContact O-N 3.1Å; K339-K342 PolarHBondContact O-N 3.34Å; K339-K342 VanDerWaalsContact O-N 3.17Å; K339-E343 WeakPolarHBondContact O-CB 3.21Å; K339-E343 PolarHBondContact O-N 2.79Å
340F75.2Confident65.9Low136 Ų136121.5 Ų121.560%0.59661%0.606SS**Hα-helixtrans-56.7-46.2177.5-174.8-96.3000112.8K336 K337 K342 E343 A344K336-F340 PolarHBondContact O-N 2.78Å; K337-F340 PolarHBondContact O-N 2.71Å; F340-K342 PolarHBondContact O-N 2.97Å; F340-E343 PolarHBondContact O-N 2.9Å; F340-A344 WeakPolarHBondContact O-CB 3.24Å; F340-A344 PolarHBondContact O-N 3.34Å
341W69.8Low66.9Low185 Ų185120.7 Ų120.770%0.70160%0.596SS**Hα-helixtrans-64.6-38.1177.6-75.8114.3000113.5K337 K339 L345K337-W341 PolarHBondContact O-N 3.15Å; K339-W341 PolarHBondContact O-N 3.1Å; W341-L345 WeakPolarHBondContact O-CB 3.24Å; W341-L345 PolarHBondContact O-N 3.11Å
342K76.2Confident67.3Low139 Ų139122 Ų12260%0.60459%0.591SS**Hα-helixtrans-64.9-43.3175.2-79.5-177175.4-173.30111.4K338 K339 F340 L345 C346K338-K342 WeakPolarHBondContact O-CG 3.33Å; K338-K342 PolarHBondContact O-N 3.47Å; K339-K342 PolarHBondContact O-N 3.34Å; K339-K342 VanDerWaalsContact O-N 3.17Å; F340-K342 PolarHBondContact O-N 2.97Å; K342-L345 PolarHBondContact O-N 3.36Å; K342-C346 PolarHBondContact O-N 3.28Å; K342-C346 PolarHBondContact O-SG 3.25Å
343E75.2Confident67.8Low132 Ų132122.5 Ų122.562%0.61759%0.587SS**Hα-helixtrans-65-46.8178.6-168.5171.7-178.800111.3K339 F340 L345 C346 T347K339-E343 WeakPolarHBondContact O-CB 3.21Å; K339-E343 PolarHBondContact O-N 2.79Å; F340-E343 PolarHBondContact O-N 2.9Å; E343-L345 VanDerWaalsContact C-N 3.31Å; E343-L345 PolarHBondContact O-N 2.87Å; E343-C346 WeakPolarHBondContact O-CB 3.41Å; E343-C346 PolarHBondContact O-N 2.92Å; E343-C346 VanDerWaalsContact O-N 3.14Å; E343-T347 PolarHBondContact O-N 2.98Å; E343-T347 PolarHBondContact O-OG1 3.07Å
344A73.1Confident68.1Low41 Ų41120.6 Ų120.634%0.33958%0.581SS.*Hα-helixtrans-57.6-41.5174.900000112.6F340 T347 L348F340-A344 WeakPolarHBondContact O-CB 3.24Å; F340-A344 PolarHBondContact O-N 3.34Å; A344-T347 PolarHBondContact O-N 3.04Å; A344-L348 WeakPolarHBondContact O-CB 3.45Å; A344-L348 PolarHBondContact O-N 3.4Å
345L76.5Confident68.3Low121 Ų121122.1 Ų122.163%0.63459%0.589SS**Hα-helixtrans-67-40.8176.8-170.273.8000112.1W341 K342 E343 L348 K349W341-L345 WeakPolarHBondContact O-CB 3.24Å; W341-L345 PolarHBondContact O-N 3.11Å; K342-L345 PolarHBondContact O-N 3.36Å; E343-L345 VanDerWaalsContact C-N 3.31Å; E343-L345 PolarHBondContact O-N 2.87Å; L345-L348 PolarHBondContact O-N 3.11Å; L345-K349 WeakPolarHBondContact O-CB 3.25Å; L345-K349 PolarHBondContact O-N 3.16Å
346C73.2Confident68.4Low93 Ų93121 Ų12163%0.62858%0.582SS**Hα-helixtrans-61.8-44.4174.6-80.10000111.5K342 E343 L348 K349 G350K342-C346 PolarHBondContact O-N 3.28Å; K342-C346 PolarHBondContact O-SG 3.25Å; E343-C346 WeakPolarHBondContact O-CB 3.41Å; E343-C346 PolarHBondContact O-N 2.92Å; E343-C346 VanDerWaalsContact O-N 3.14Å; C346-L348 PolarHBondContact O-N 2.63Å; C346-K349 PolarHBondContact O-N 3.14Å; C346-G350 PolarHBondContact O-N 2.81Å
347T74.6Confident68.3Low77 Ų77120 Ų12047%0.47258%0.577SS.*Hα-helixtrans-62.5-41.7176.5-53.80000111.6E343 A344 G350 K351E343-T347 PolarHBondContact O-N 2.98Å; E343-T347 PolarHBondContact O-OG1 3.07Å; A344-T347 PolarHBondContact O-N 3.04Å; T347-G350 PolarHBondContact O-N 2.72Å; T347-K351 WeakPolarHBondContact O-CG 3.45Å; T347-K351 PolarHBondContact O-N 2.73Å
348L74Confident68Low116 Ų116122.1 Ų122.161%0.60759%0.587SS**Hα-helixtrans-65.3-40.4176.6-170.768.2000111.9A344 L345 C346 K351 K352A344-L348 WeakPolarHBondContact O-CB 3.45Å; A344-L348 PolarHBondContact O-N 3.4Å; L345-L348 PolarHBondContact O-N 3.11Å; C346-L348 PolarHBondContact O-N 2.63Å; L348-K351 PolarHBondContact O-N 2.75Å; L348-K352 PolarHBondContact O-N 2.85Å
349K74.4Confident67.5Low140 Ų140124.6 Ų124.661%0.60960%0.6SS**Hα-helixtrans-64-41.4176.4-168.6-177.4176-170.90111.8L345 C346 K352 E353L345-K349 WeakPolarHBondContact O-CB 3.25Å; L345-K349 PolarHBondContact O-N 3.16Å; C346-K349 PolarHBondContact O-N 3.14Å; K349-K352 WeakPolarHBondContact O-CB 3.32Å; K349-K352 PolarHBondContact O-N 3.27Å; K349-E353 PolarHBondContact O-N 2.91Å
350G65.7Low66.3Low40 Ų40125.6 Ų125.641%0.41261%0.609SS.*Hα-helixtrans-63.4-43.8174.500000112.7C346 T347 K352 E353 L354C346-G350 PolarHBondContact O-N 2.81Å; T347-G350 PolarHBondContact O-N 2.72Å; G350-K352 VanDerWaalsContact C-N 3.34Å; G350-K352 PolarHBondContact O-N 3.01Å; G350-E353 PolarHBondContact O-N 2.95Å; G350-L354 PolarHBondContact O-N 2.94Å; G350-L354 VanDerWaalsContact O-N 3.15Å
351K69.3Low64.9Low131 Ų131127.9 Ų127.957%0.5762%0.619SS**Hα-helixtrans-62.8-38.3174.8-74.7-177.1178.6-175.20112.5T347 L348 L354 L355T347-K351 WeakPolarHBondContact O-CG 3.45Å; T347-K351 PolarHBondContact O-N 2.73Å; L348-K351 PolarHBondContact O-N 2.75Å; K351-L354 PolarHBondContact O-N 2.95Å; K351-L355 WeakPolarHBondContact O-CG 3.44Å; K351-L355 PolarHBondContact O-N 2.91Å
352K63.3Low63.5Low128 Ų128130.7 Ų130.756%0.55763%0.629SS**Hα-helixtrans-55.8-54.1173.8-176179.2176.4177.90110.1L348 K349 G350 L354 L355 F356L348-K352 PolarHBondContact O-N 2.85Å; K349-K352 WeakPolarHBondContact O-CB 3.32Å; K349-K352 PolarHBondContact O-N 3.27Å; G350-K352 VanDerWaalsContact C-N 3.34Å; G350-K352 PolarHBondContact O-N 3.01Å; K352-L354 PolarHBondContact O-N 3.19Å; K352-L355 PolarHBondContact O-N 3.2Å; K352-F356 HydrophobicContact CD-CD2 4.36Å; K352-F356 HydrophobicContact CD-CE2 4.08Å; K352-F356 HydrophobicContact CG-CD2 3.48Å; K352-F356 VanDerWaalsContact CG-CD2 3.48Å; K352-F356 HydrophobicContact CG-CE2 3.51Å; K352-F356 VanDerWaalsContact O-CD2 3.23Å; K352-F356 WeakPolarHBondContact O-CD2 3.32Å; K352-F356 PolarHBondContact O-N 3.19Å
353E61.9Low61.9Low112 Ų112127.2 Ų127.252%0.52362%0.622SS.*Hα-helixtrans-58.2-34.3179.1-71.1-178.1-167.200112.8K349 G350 K357K349-E353 PolarHBondContact O-N 2.91Å; G350-E353 PolarHBondContact O-N 2.95Å; E353-K357 VanDerWaalsContact O-CB 3.29Å; E353-K357 WeakPolarHBondContact O-CB 3.29Å; E353-K357 PolarHBondContact O-N 3.31Å
354L61.5Low60.5Low122 Ų122128.8 Ų128.864%0.63964%0.635SS**Hα-helixtrans-71.5-41.1178.5-144.3144.7000112.4G350 K351 K352 K358G350-L354 PolarHBondContact O-N 2.94Å; G350-L354 VanDerWaalsContact O-N 3.15Å; K351-L354 PolarHBondContact O-N 2.95Å; K352-L354 PolarHBondContact O-N 3.19Å; L354-K358 VanDerWaalsContact O-CB 3.28Å; L354-K358 WeakPolarHBondContact O-CB 3.39Å; L354-K358 PolarHBondContact O-N 3.19Å
355L57.3Low59.1Low117 Ų117134.9 Ų134.961%0.61366%0.657SS**Hα-helixtrans-65.5-45.9174.6-71.4170.9000111.6K351 K352 K358 Q359K351-L355 WeakPolarHBondContact O-CG 3.44Å; K351-L355 PolarHBondContact O-N 2.91Å; K352-L355 PolarHBondContact O-N 3.2Å; L355-K358 PolarHBondContact O-N 3.15Å; L355-Q359 PolarHBondContact O-N 3.46Å; L355-Q359 VanDerWaalsContact O-N 3.1Å
356F58.6Low57.4Low135 Ų135132.3 Ų132.359%0.59265%0.648SS**Hα-helixtrans-69-34.8179.5-79.7-80.5000112.4K352K352-F356 HydrophobicContact CD-CD2 4.36Å; K352-F356 HydrophobicContact CD-CE2 4.08Å; K352-F356 HydrophobicContact CG-CD2 3.48Å; K352-F356 VanDerWaalsContact CG-CD2 3.48Å; K352-F356 HydrophobicContact CG-CE2 3.51Å; K352-F356 VanDerWaalsContact O-CD2 3.23Å; K352-F356 WeakPolarHBondContact O-CD2 3.32Å; K352-F356 PolarHBondContact O-N 3.19Å
357K58.2Low56.1Low160 Ų160136.3 Ų136.370%0.69666%0.659SS**Hα-helixtrans-70.6-37172.4-85.8-179.1174.3174.40113.1E353E353-K357 VanDerWaalsContact O-CB 3.29Å; E353-K357 WeakPolarHBondContact O-CB 3.29Å; E353-K357 PolarHBondContact O-N 3.31Å
358K53.9Low54.7Low164 Ų164139 Ų13971%0.71367%0.667SS**Hα-helixtrans-69.9-33.7-179.2-163.4175-179.6-174.10111.5L354 L355L354-K358 VanDerWaalsContact O-CB 3.28Å; L354-K358 WeakPolarHBondContact O-CB 3.39Å; L354-K358 PolarHBondContact O-N 3.19Å; L355-K358 PolarHBondContact O-N 3.15Å
359Q52.3Low53.4Low177 Ų177138.1 Ų138.183%0.82766%0.658SS**Hα-helixtrans-75.8-16.9178.6-71-144.4-400115.4L355 K361L355-Q359 PolarHBondContact O-N 3.46Å; L355-Q359 VanDerWaalsContact O-N 3.1Å; Q359-K361 VanDerWaalsContact C-N 3.32Å; Q359-K361 PolarHBondContact O-N 3.36Å
360M48.6Very low52.6Low172 Ų172133.1 Ų133.185%0.84765%0.646SS**THydrogen-bonded Turntrans-79.6-8.8176.3-95.7166.683.300114.3R362M360-R362 PolarHBondContact O-N 2.9Å
361K44.7Very low52.4Low184 Ų184135.7 Ų135.780%0.865%0.651SS**SBendtrans-87.493174.2-82.7-172.3176.4-176.20110.5Q359Q359-K361 VanDerWaalsContact C-N 3.32Å; Q359-K361 PolarHBondContact O-N 3.36Å
362R41.5Very low51.9Low244 Ų244134 Ų13492%0.92165%0.653SS**  trans48.4100.1143.7-73.3-175.2164.8130.9-2.2117M360M360-R362 PolarHBondContact O-N 2.9Å
363S42.8Very low51.8Low65 Ų65131.9 Ų131.946%0.45565%0.651SS.*  -158.8120.6115.844.80000108E365 C366S363-E365 PolarHBondContact O-N 3.17Å; S363-C366 PolarHBondContact O-N 3.42Å; S363-C366 PolarHBondContact OG-SG 3.04Å; S363-C366 VanDerWaalsContact OG-SG 3.36Å
364D44.2Very low51.9Low166 Ų166132.3 Ų132.389%0.88865%0.648SS**G310 helixtrans-60.5-0.1170.9-74.1-47.8000112.6
365E43.7Very low51.8Low169 Ų169128.1 Ų128.179%0.7963%0.625SS**G310 helixtrans-85.7-6.2175.2-63.817817100113.6S363S363-E365 PolarHBondContact O-N 3.17Å
366C42.5Very low52.1Low66 Ų66126.8 Ų126.845%0.44662%0.618SS.*G310 helixtrans-87.6-0.4-178.5-70.80000115.2S363 E368 F369S363-C366 PolarHBondContact O-N 3.42Å; S363-C366 PolarHBondContact OG-SG 3.04Å; S363-C366 VanDerWaalsContact OG-SG 3.36Å; C366-E368 PolarHBondContact O-N 3.36Å; C366-F369 HydrophobicContact CB-CD2 4.47Å; C366-F369 PolarHBondContact O-N 3.24Å
367M45.8Very low52.4Low177 Ų177125.8 Ų125.887%0.87262%0.619SS**G310 helixtrans-64.3-6176.8-70.8-70.3-91.700113.9
368E45.2Very low52.6Low134 Ų134125.4 Ų125.463%0.62661%0.613SS**G310 helixtrans-92.8-12.2174.8-150.5178.5-155.800113.7C366 G370 H375 K391C366-E368 PolarHBondContact O-N 3.36Å; E368-G370 PolarHBondContact O-N 3.49Å; E368-H375 PolarHBondContact O-NE2 3.5Å; E368-K391 IonicContact OE2-NZ 3.96Å; E368-K391 PolarHBondContact OE2-NZ 2.87Å
369F46.4Very low52.9Low97 Ų97118.5 Ų118.543%0.42559%0.585SS.*  trans-80.566.2165-67.7-89.7000108.7C366 K391C366-F369 HydrophobicContact CB-CD2 4.47Å; C366-F369 PolarHBondContact O-N 3.24Å; F369-K391 HydrophobicContact CD1-CB 3.84Å; F369-K391 HydrophobicContact CD1-CD 4.49Å; F369-K391 WeakPolarHBondContact CD1-O 3.38Å; F369-K391 HydrophobicContact CD2-CD 4.34Å; F369-K391 HydrophobicContact CE1-CB 3.43Å; F369-K391 VanDerWaalsContact CE1-CB 3.43Å; F369-K391 HydrophobicContact CE1-CD 4.04Å; F369-K391 HydrophobicContact CE1-CG 3.87Å; F369-K391 VanDerWaalsContact CE1-O 3.25Å; F369-K391 WeakPolarHBondContact CE1-O 3.26Å; F369-K391 HydrophobicContact CE2-CD 3.83Å; F369-K391 HydrophobicContact CE2-CG 4.46Å; F369-K391 HydrophobicContact CZ-CB 3.9Å; F369-K391 HydrophobicContact CZ-CD 3.66Å; F369-K391 HydrophobicContact CZ-CG 3.78Å
370G57Low53.4Low35 Ų35114 Ų11436%0.36158%0.579SS.*  trans-49.7162.2161.600000111.1E368 H375E368-G370 PolarHBondContact O-N 3.49Å; G370-H375 PolarHBondContact N-NE2 2.74Å; G370-H375 PolarHBondContact O-CD2 2.88Å; G370-H375 PolarHBondContact O-NE2 3.05Å
371D61.7Low53.9Low94 Ų94109.5 Ų109.550%0.50357%0.569SS.*  trans-27.9117.7-173.6178.26000113.7V373 Y374 H375D371-V373 PolarHBondContact O-N 2.68Å; D371-V373 VanDerWaalsContact O-N 3.08Å; D371-V373 WeakPolarHBondContact OD1-CB 3.32Å; D371-V373 PolarHBondContact OD1-N 2.74Å; D371-Y374 WeakPolarHBondContact O-CA 3.35Å; D371-Y374 WeakPolarHBondContact O-CB 3.29Å; D371-Y374 PolarHBondContact O-N 2.63Å; D371-H375 PolarHBondContact O-N 2.89Å
372P58Low54.4Low95 Ų95103.4 Ų103.462%0.61755%0.549SS*.Hα-helixtrans-58.1-26.7-179.523.8-34000112.2L376P372-L376 VanDerWaalsContact O-CB 3.32Å; P372-L376 WeakPolarHBondContact O-CB 3.27Å; P372-L376 PolarHBondContact O-N 3.03Å
373V62.9Low55.1Low84 Ų8498.4 Ų98.451%0.50955%0.548SS..Hα-helixtrans-70.3-42.9174.4-175.80000110.8D371 L376 L377D371-V373 PolarHBondContact O-N 2.68Å; D371-V373 VanDerWaalsContact O-N 3.08Å; D371-V373 WeakPolarHBondContact OD1-CB 3.32Å; D371-V373 PolarHBondContact OD1-N 2.74Å; V373-L376 PolarHBondContact O-N 2.87Å; V373-L377 HydrophobicContact CG1-CD1 4.08Å; V373-L377 HydrophobicContact CG1-CG 4.49Å; V373-L377 WeakPolarHBondContact O-CB 3.41Å; V373-L377 WeakPolarHBondContact O-CG 3.28Å; V373-L377 PolarHBondContact O-N 3.27Å
374Y64.2Low55.7Low121 Ų12198.7 Ų98.748%0.47556%0.561SS.*Hα-helixtrans-60-45.5173.9176.3-95.9000111.5D371 L376 L377 R378D371-Y374 WeakPolarHBondContact O-CA 3.35Å; D371-Y374 WeakPolarHBondContact O-CB 3.29Å; D371-Y374 PolarHBondContact O-N 2.63Å; Y374-L376 PolarHBondContact O-N 3.45Å; Y374-L377 PolarHBondContact O-N 2.8Å; Y374-R378 WeakPolarHBondContact O-CB 3.43Å; Y374-R378 PolarHBondContact O-N 2.94Å; Y374-R378 PolarHBondContact OH-NH1 3.22Å
375H58.7Low56.2Low34 Ų3492.9 Ų92.916%0.15753%0.529CS..Hα-helixtrans-66.4-36177.6-76.3-47.1000112.8E368 G370 D371 R378 C379 C392E368-H375 PolarHBondContact O-NE2 3.5Å; G370-H375 PolarHBondContact N-NE2 2.74Å; G370-H375 PolarHBondContact O-CD2 2.88Å; G370-H375 PolarHBondContact O-NE2 3.05Å; D371-H375 PolarHBondContact O-N 2.89Å; H375-R378 PolarHBondContact O-N 3.26Å; H375-C379 VanDerWaalsContact O-CB 3.24Å; H375-C379 WeakPolarHBondContact O-CB 3.35Å; H375-C379 PolarHBondContact O-N 3.14Å; H375-C392 HydrophobicContact CB-CB 4.27Å
376L64.6Low56.5Low89 Ų8990.8 Ų90.847%0.46652%0.519SS..Hα-helixtrans-66.2-44174.4-167.478.4000111.6P372 V373 Y374 R378 C379 A380 I393P372-L376 VanDerWaalsContact O-CB 3.32Å; P372-L376 WeakPolarHBondContact O-CB 3.27Å; P372-L376 PolarHBondContact O-N 3.03Å; V373-L376 PolarHBondContact O-N 2.87Å; Y374-L376 PolarHBondContact O-N 3.45Å; L376-R378 VanDerWaalsContact C-N 3.33Å; L376-R378 PolarHBondContact O-N 3.22Å; L376-C379 WeakPolarHBondContact O-CB 3.33Å; L376-C379 PolarHBondContact O-N 3.38Å; L376-A380 WeakPolarHBondContact O-CB 3.23Å; L376-A380 PolarHBondContact O-N 3.2Å; L376-I393 HydrophobicContact CD1-CG2 3.96Å
377L63.5Low57.1Low115 Ų11591 Ų9160%0.60252%0.519SS*.Hα-helixtrans-64.2-39.4176.4-73.8169.7000111.5V373 Y374 A380 A381V373-L377 HydrophobicContact CG1-CD1 4.08Å; V373-L377 HydrophobicContact CG1-CG 4.49Å; V373-L377 WeakPolarHBondContact O-CB 3.41Å; V373-L377 WeakPolarHBondContact O-CG 3.28Å; V373-L377 PolarHBondContact O-N 3.27Å; Y374-L377 PolarHBondContact O-N 2.8Å; L377-A380 PolarHBondContact O-N 3.29Å; L377-A381 WeakPolarHBondContact O-CB 3.44Å; L377-A381 PolarHBondContact O-N 3Å
378R62.2Low57.5Low151 Ų15187.6 Ų87.657%0.5751%0.513SS*.Hα-helixtrans-66.9-40.3175.1-170.2172.5175.8144.2-4.8112.1Y374 H375 L376 A381 S382Y374-R378 WeakPolarHBondContact O-CB 3.43Å; Y374-R378 PolarHBondContact O-N 2.94Å; Y374-R378 PolarHBondContact OH-NH1 3.22Å; H375-R378 PolarHBondContact O-N 3.26Å; L376-R378 VanDerWaalsContact C-N 3.33Å; L376-R378 PolarHBondContact O-N 3.22Å; R378-A381 PolarHBondContact O-N 3.37Å; R378-S382 PolarHBondContact O-N 2.98Å
379C61.4Low57.8Low20 Ų2086.6 Ų86.614%0.13552%0.516CS..Hα-helixtrans-60.5-47.3173.3179.80000110.6H375 L376 H385 C392 C394H375-C379 VanDerWaalsContact O-CB 3.24Å; H375-C379 WeakPolarHBondContact O-CB 3.35Å; H375-C379 PolarHBondContact O-N 3.14Å; L376-C379 WeakPolarHBondContact O-CB 3.33Å; L376-C379 PolarHBondContact O-N 3.38Å; C379-H385 VanDerWaalsContact CA-CE1 3.48Å; C379-H385 WeakPolarHBondContact CA-CE1 3.29Å; C379-H385 PolarHBondContact O-CE1 3.38Å; C379-H385 PolarHBondContact O-ND1 2.95Å; C379-H385 PolarHBondContact SG-CE1 2.96Å; C379-H385 PolarHBondContact SG-NE2 3.44Å; C379-C392 HydrophobicContact CB-CB 4.18Å; C379-C394 WeakPolarHBondContact CB-SG 3.47Å; C379-C394 WeakPolarHBondContact SG-CB 3.46Å; C379-C394 CovalentContact SG-SG 2.06Å; C379-C394 PolarHBondContact SG-SG 3.33Å
380A62.2Low58Low83 Ų8383 Ų8369%0.68650%0.503SS*.Hα-helixtrans-69.8-31.7179.600000113.9L376 L377L376-A380 WeakPolarHBondContact O-CB 3.23Å; L376-A380 PolarHBondContact O-N 3.2Å; L377-A380 PolarHBondContact O-N 3.29Å
381A59.3Low57.9Low77 Ų7785.7 Ų85.764%0.63651%0.505SS*.Hα-helixtrans-78.4-21.2-177.800000113.9L377 R378 P383L377-A381 WeakPolarHBondContact O-CB 3.44Å; L377-A381 PolarHBondContact O-N 3Å; R378-A381 PolarHBondContact O-N 3.37Å; A381-P383 WeakPolarHBondContact O-CD 3.49Å
382S55.8Low57.7Low55 Ų5581.3 Ų81.339%0.38548%0.481SS..  trans-117.497-177.5-57.90000110.9R378 G384 H385R378-S382 PolarHBondContact O-N 2.98Å; S382-G384 PolarHBondContact O-N 3.39Å; S382-H385 PolarHBondContact O-N 2.98Å; S382-H385 PolarHBondContact O-ND1 3.48Å
383P55.4Low57.8Low140 Ų14080.1 Ų80.191%0.90947%0.469SS*.THydrogen-bonded Turntrans-64.74.6-178.1-20.431.1000116.3A381A381-P383 WeakPolarHBondContact O-CD 3.49Å
384G54.3Low57.5Low70 Ų7078.9 Ų78.972%0.72246%0.463SS*.THydrogen-bonded Turntrans-141.426-174.700000114.3S382S382-G384 PolarHBondContact O-N 3.39Å
385H56.3Low57.2Low45 Ų4576.4 Ų76.421%0.20846%0.456CS..  trans-74.4138.2176.566.2-87.5000110.7C379 S382 C390 H395C379-H385 VanDerWaalsContact CA-CE1 3.48Å; C379-H385 WeakPolarHBondContact CA-CE1 3.29Å; C379-H385 PolarHBondContact O-CE1 3.38Å; C379-H385 PolarHBondContact O-ND1 2.95Å; C379-H385 PolarHBondContact SG-CE1 2.96Å; C379-H385 PolarHBondContact SG-NE2 3.44Å; S382-H385 PolarHBondContact O-N 2.98Å; S382-H385 PolarHBondContact O-ND1 3.48Å; H385-C390 PolarHBondContact CD2-SG 3.28Å; H385-C390 PolarHBondContact NE2-SG 3.12Å; H385-H395 AromaticContact CD2-CD2 3.76Å; H385-H395 AromaticContact CD2-NE2 3.75Å; H385-H395 AromaticContact CE1-NE2 3.66Å; H385-H395 AromaticContact NE2-CD2 3.05Å; H385-H395 PolarHBondContact NE2-CD2 2.94Å; H385-H395 AromaticContact NE2-NE2 2.96Å; H385-H395 PolarHBondContact NE2-NE2 3.38Å
386Q49.8Very low57.1Low125 Ų12578.2 Ų78.258%0.58447%0.466SS*.  trans-75.6130.7-179.6-72.4-72.4-28.500109.9S388 T389 C390Q386-S388 PolarHBondContact O-N 2.83Å; Q386-S388 VanDerWaalsContact O-N 3.1Å; Q386-T389 HydrophobicContact CB-CG2 4.47Å; Q386-T389 PolarHBondContact O-N 2.91Å; Q386-T389 PolarHBondContact O-OG1 3.41Å; Q386-C390 PolarHBondContact O-N 3.05Å
387P54.5Low56.7Low70 Ų7083.4 Ų83.446%0.45549%0.488SS..THydrogen-bonded Turntrans-52.8-32.3176-23.630.4000113T389 H395P387-T389 PolarHBondContact O-N 2.94Å; P387-H395 HydrophobicContact CB-CB 4.08Å
388S53.5Low55.9Low106 Ų10682.1 Ų82.174%0.74149%0.489SS*.THydrogen-bonded Turntrans-65.1-20178.2570000114.4Q386Q386-S388 PolarHBondContact O-N 2.83Å; Q386-S388 VanDerWaalsContact O-N 3.1Å
389T52.4Low55.3Low112 Ų11276.6 Ų76.669%0.68748%0.479SS*.THydrogen-bonded Turntrans-110.4-20.3-175.161.20000113.9Q386 P387Q386-T389 HydrophobicContact CB-CG2 4.47Å; Q386-T389 PolarHBondContact O-N 2.91Å; Q386-T389 PolarHBondContact O-OG1 3.41Å; P387-T389 PolarHBondContact O-N 2.94Å
390C51.6Low54.6Low23 Ų2382.5 Ų82.516%0.15551%0.509CS..  trans-105.8116.6170.286.40000112.2H385 Q386 C392 H395H385-C390 PolarHBondContact CD2-SG 3.28Å; H385-C390 PolarHBondContact NE2-SG 3.12Å; Q386-C390 PolarHBondContact O-N 3.05Å; C390-C392 HydrophobicContact CB-CB 3.85Å; C390-C392 WeakPolarHBondContact CB-SG 3.43Å; C390-C392 PolarHBondContact O-N 2.89Å; C390-C392 PolarHBondContact O-SG 2.95Å; C390-C392 WeakPolarHBondContact SG-CB 3.23Å; C390-C392 CovalentContact SG-SG 2.04Å; C390-C392 PolarHBondContact SG-SG 3.14Å; C390-H395 VanDerWaalsContact SG-CD2 3.57Å
391K53.5Low54Low91 Ų9186 Ų8640%0.39651%0.512SS..  trans-73.328.4165.9-86.5175.3-179.7172.70112.6E368 F369E368-K391 IonicContact OE2-NZ 3.96Å; E368-K391 PolarHBondContact OE2-NZ 2.87Å; F369-K391 HydrophobicContact CD1-CB 3.84Å; F369-K391 HydrophobicContact CD1-CD 4.49Å; F369-K391 WeakPolarHBondContact CD1-O 3.38Å; F369-K391 HydrophobicContact CD2-CD 4.34Å; F369-K391 HydrophobicContact CE1-CB 3.43Å; F369-K391 VanDerWaalsContact CE1-CB 3.43Å; F369-K391 HydrophobicContact CE1-CD 4.04Å; F369-K391 HydrophobicContact CE1-CG 3.87Å; F369-K391 VanDerWaalsContact CE1-O 3.25Å; F369-K391 WeakPolarHBondContact CE1-O 3.26Å; F369-K391 HydrophobicContact CE2-CD 3.83Å; F369-K391 HydrophobicContact CE2-CG 4.46Å; F369-K391 HydrophobicContact CZ-CB 3.9Å; F369-K391 HydrophobicContact CZ-CD 3.66Å; F369-K391 HydrophobicContact CZ-CG 3.78Å
392C57.8Low53.4Low1 Ų183.8 Ų83.81%0.00749%0.491CS..  trans-77.7146.3-176.253.90000110.2H375 C379 C390 C394 H395 L396H375-C392 HydrophobicContact CB-CB 4.27Å; C379-C392 HydrophobicContact CB-CB 4.18Å; C390-C392 HydrophobicContact CB-CB 3.85Å; C390-C392 WeakPolarHBondContact CB-SG 3.43Å; C390-C392 PolarHBondContact O-N 2.89Å; C390-C392 PolarHBondContact O-SG 2.95Å; C390-C392 WeakPolarHBondContact SG-CB 3.23Å; C390-C392 CovalentContact SG-SG 2.04Å; C390-C392 PolarHBondContact SG-SG 3.14Å; C392-C394 WeakPolarHBondContact CB-SG 3.48Å; C392-C394 PolarHBondContact O-N 3.44Å; C392-C394 PolarHBondContact SG-SG 2.91Å; C392-H395 PolarHBondContact O-N 2.87Å; C392-H395 PolarHBondContact SG-CD2 3.17Å; C392-L396 PolarHBondContact O-N 3.02Å
393I59.1Low52.7Low70 Ų7087.1 Ų87.136%0.35950%0.5SS..THydrogen-bonded Turntrans-62.2-19.7-176.6-156.1165.1000114.1L376 H395 L396 C402L376-I393 HydrophobicContact CD1-CG2 3.96Å; I393-H395 VanDerWaalsContact C-N 3.27Å; I393-H395 PolarHBondContact O-N 3.31Å; I393-L396 HydrophobicContact CB-CD1 4.46Å; I393-L396 HydrophobicContact CG1-CD1 4.43Å; I393-C402 HydrophobicContact CD1-CB 4.42Å; I393-C402 HydrophobicContact CG1-CB 4.1Å
394C57.4Low52.3Low58 Ų5888.2 Ų88.239%0.39249%0.491SS..THydrogen-bonded Turntrans-68.2-21.7173.542.40000113.2C379 C392C379-C394 WeakPolarHBondContact CB-SG 3.47Å; C379-C394 WeakPolarHBondContact SG-CB 3.46Å; C379-C394 CovalentContact SG-SG 2.06Å; C379-C394 PolarHBondContact SG-SG 3.33Å; C392-C394 WeakPolarHBondContact CB-SG 3.48Å; C392-C394 PolarHBondContact O-N 3.44Å; C392-C394 PolarHBondContact SG-SG 2.91Å
395H57.9Low52.1Low70 Ų7089.1 Ų89.132%0.32448%0.478SS..SBendtrans-123.59.2-175.5-71.9-68.6000114.6H385 P387 C390 C392 I393 E397H385-H395 AromaticContact CD2-CD2 3.76Å; H385-H395 AromaticContact CD2-NE2 3.75Å; H385-H395 AromaticContact CE1-NE2 3.66Å; H385-H395 AromaticContact NE2-CD2 3.05Å; H385-H395 PolarHBondContact NE2-CD2 2.94Å; H385-H395 AromaticContact NE2-NE2 2.96Å; H385-H395 PolarHBondContact NE2-NE2 3.38Å; P387-H395 HydrophobicContact CB-CB 4.08Å; C390-H395 VanDerWaalsContact SG-CD2 3.57Å; C392-H395 PolarHBondContact O-N 2.87Å; C392-H395 PolarHBondContact SG-CD2 3.17Å; I393-H395 VanDerWaalsContact C-N 3.27Å; I393-H395 PolarHBondContact O-N 3.31Å; H395-E397 PolarHBondContact O-N 3.46Å
396L56.2Low51.7Low71 Ų7190.1 Ų90.137%0.37249%0.487SS..  trans-62.9105.6167.7-91.3105.2000108.7C392 I393 S398C392-L396 PolarHBondContact O-N 3.02Å; I393-L396 HydrophobicContact CB-CD1 4.46Å; I393-L396 HydrophobicContact CG1-CD1 4.43Å; L396-S398 PolarHBondContact O-N 3.27Å
397E56.5Low51.9Low198 Ų19887.8 Ų87.893%0.92549%0.485SS*.SBendtrans-63-5.4179.9-158.5167.9-15800113H395 G399H395-E397 PolarHBondContact O-N 3.46Å; E397-G399 PolarHBondContact O-N 3.29Å
398S47.4Very low51.7Low88 Ų8890.6 Ų90.662%0.61549%0.492SS*.  trans-80.670.7169.1-440000110.7L396 D400L396-S398 PolarHBondContact O-N 3.27Å; S398-D400 PolarHBondContact O-N 2.76Å
399G48.4Very low51.4Low36 Ų3692.4 Ų92.437%0.37149%0.49SS..THydrogen-bonded Turntrans-64.17.1-170.500000118.8E397 H403E397-G399 PolarHBondContact O-N 3.29Å; G399-H403 PolarHBondContact O-CD2 3.46Å
400D48Very low51.1Low144 Ų14490.9 Ų90.977%0.7748%0.484SS*.THydrogen-bonded Turntrans-103.4-32.1-174.5-73.1-26.7000115S398S398-D400 PolarHBondContact O-N 2.76Å
401E48.4Very low50.6Low156 Ų15695.9 Ų95.973%0.72950%0.503SS*.THydrogen-bonded Turntrans-98.8-36.9-174.7-66.2-164.2163.500113.3
402C46.3Very low49.9Very low31 Ų3196.8 Ų96.821%0.20952%0.518CS..Hα-helixtrans-78.2-34.6-174.6-70.50000113.7I393 K404 I405 V406I393-C402 HydrophobicContact CD1-CB 4.42Å; I393-C402 HydrophobicContact CG1-CB 4.1Å; C402-K404 VanDerWaalsContact C-N 3.25Å; C402-K404 PolarHBondContact O-N 3.45Å; C402-I405 PolarHBondContact O-N 3.48Å; C402-I405 VanDerWaalsContact O-N 3.1Å; C402-V406 PolarHBondContact O-N 2.99Å
403H42.9Very low49.2Very low125 Ų125103.5 Ų103.558%0.57955%0.553SS**Hα-helixtrans-61.8-33.8175.8-80.2-70000112.2G399 I405 V406 S407G399-H403 PolarHBondContact O-CD2 3.46Å; H403-I405 VanDerWaalsContact C-N 3.35Å; H403-I405 PolarHBondContact O-N 3.25Å; H403-V406 PolarHBondContact O-N 3.01Å; H403-S407 VanDerWaalsContact O-CB 3.29Å; H403-S407 WeakPolarHBondContact O-CB 3.39Å; H403-S407 PolarHBondContact O-N 2.94Å; H403-S407 PolarHBondContact O-OG 2.88Å
404K46.3Very low48.2Very low163 Ų163106.8 Ų106.871%0.70957%0.571SS**Hα-helixtrans-62.6-41.1173.4-88.7179179.1169.60112.4C402 E408C402-K404 VanDerWaalsContact C-N 3.25Å; C402-K404 PolarHBondContact O-N 3.45Å; K404-E408 VanDerWaalsContact O-CB 3.27Å; K404-E408 WeakPolarHBondContact O-CB 3.2Å; K404-E408 PolarHBondContact O-N 2.93Å
405I49.7Very low47.5Very low89 Ų89109.2 Ų109.246%0.45658%0.584SS.*Hα-helixtrans-69.9-42.1-178.6-58.8169.1000110.1C402 H403 E408 M409C402-I405 PolarHBondContact O-N 3.48Å; C402-I405 VanDerWaalsContact O-N 3.1Å; H403-I405 VanDerWaalsContact C-N 3.35Å; H403-I405 PolarHBondContact O-N 3.25Å; I405-E408 PolarHBondContact O-N 3.13Å; I405-M409 HydrophobicContact CG2-CE 4.23Å; I405-M409 WeakPolarHBondContact O-CG 3.46Å; I405-M409 PolarHBondContact O-N 2.84Å
406V49Very low46.5Very low66 Ų66112.9 Ų112.940%0.460%0.604SS.*Hα-helixtrans-67.4-43.5176.4-178.90000111.1C402 H403 E408 M409 S410C402-V406 PolarHBondContact O-N 2.99Å; H403-V406 PolarHBondContact O-N 3.01Å; V406-E408 PolarHBondContact O-N 3.29Å; V406-M409 CarbonylContact O-C 3.6Å; V406-M409 PolarHBondContact O-N 3.12Å; V406-S410 VanDerWaalsContact O-CB 3.29Å; V406-S410 WeakPolarHBondContact O-CB 3.46Å; V406-S410 PolarHBondContact O-N 2.73Å; V406-S410 PolarHBondContact O-OG 2.9Å
407S52.4Low45.5Very low75 Ų75114.8 Ų114.852%0.52462%0.623SS.*Hα-helixtrans-63.6-28.2174.6-72.70000113.3H403 S410H403-S407 VanDerWaalsContact O-CB 3.29Å; H403-S407 WeakPolarHBondContact O-CB 3.39Å; H403-S407 PolarHBondContact O-N 2.94Å; H403-S407 PolarHBondContact O-OG 2.88Å; S407-S410 WeakPolarHBondContact CA-OG 3.37Å; S407-S410 PolarHBondContact O-OG 3.33Å
408E51Low44.4Very low130 Ų130108.9 Ų108.961%0.60761%0.607SS**Hα-helixtrans-77.5-35.6175.1-164.6166.4-15200112.1K404 I405 V406K404-E408 VanDerWaalsContact O-CB 3.27Å; K404-E408 WeakPolarHBondContact O-CB 3.2Å; K404-E408 PolarHBondContact O-N 2.93Å; I405-E408 PolarHBondContact O-N 3.13Å; V406-E408 PolarHBondContact O-N 3.29Å
409M47.7Very low43.8Very low143 Ų143110.4 Ų110.470%0.70462%0.615SS**Hα-helixtrans-76.7-24.8173.2-67.6-160.7-65.800113.7I405 V406 K411I405-M409 HydrophobicContact CG2-CE 4.23Å; I405-M409 WeakPolarHBondContact O-CG 3.46Å; I405-M409 PolarHBondContact O-N 2.84Å; V406-M409 CarbonylContact O-C 3.6Å; V406-M409 PolarHBondContact O-N 3.12Å; M409-K411 VanDerWaalsContact C-N 3.28Å
410S46.3Very low43.4Very low81 Ų81113.2 Ų113.257%0.56664%0.635SS**THydrogen-bonded Turntrans-83.7-0.9177.675.20000113.4V406 S407V406-S410 VanDerWaalsContact O-CB 3.29Å; V406-S410 WeakPolarHBondContact O-CB 3.46Å; V406-S410 PolarHBondContact O-N 2.73Å; V406-S410 PolarHBondContact O-OG 2.9Å; S407-S410 WeakPolarHBondContact CA-OG 3.37Å; S407-S410 PolarHBondContact O-OG 3.33Å
411K39.4Very low42.9Very low127 Ų127110.4 Ų110.455%0.55263%0.632SS**SBendtrans-58.8126.8167.2-71.4175.1-175.8168.90106.6M409 I413M409-K411 VanDerWaalsContact C-N 3.28Å; K411-I413 PolarHBondContact O-N 2.93Å
412P39.9Very low42.5Very low110 Ų110114.6 Ų114.671%0.71464%0.641SS**  trans-56.5110.8175.323.6-31.6000106.4N414P412-N414 VanDerWaalsContact C-N 3.28Å; P412-N414 PolarHBondContact O-N 2.62Å
413I42.1Very low42.2Very low142 Ų142124 Ų12473%0.72867%0.672SS**  trans-58.6110.8161.2-62.5173.8000101.8K411 V415K411-I413 PolarHBondContact O-N 2.93Å; I413-V415 HydrophobicContact CB-CG2 4.19Å; I413-V415 HydrophobicContact CG2-CG2 3.76Å; I413-V415 PolarHBondContact O-N 2.97Å
414N39.3Very low42Very low139 Ų139127 Ų12774%0.74368%0.683SS**  trans-62.179.2166.3-77.3-20.4000105.6P412 I416P412-N414 VanDerWaalsContact C-N 3.28Å; P412-N414 PolarHBondContact O-N 2.62Å; N414-I416 PolarHBondContact O-N 3.1Å
415V42.2Very low41.7Very low109 Ų109123.4 Ų123.466%0.66168%0.678SS**  trans-67.785.7162.7-174.80000102.2I413 C417I413-V415 HydrophobicContact CB-CG2 4.19Å; I413-V415 HydrophobicContact CG2-CG2 3.76Å; I413-V415 PolarHBondContact O-N 2.97Å; V415-C417 PolarHBondContact O-N 2.85Å
416I38.1Very low40.9Very low147 Ų147126.1 Ų126.175%0.75469%0.694SS**  trans-56.298.5159.9-62.8170.3000102.6N414 A418N414-I416 PolarHBondContact O-N 3.1Å; I416-A418 PolarHBondContact O-N 3.24Å
417C35.2Very low40.4Very low112 Ų112132.3 Ų132.376%0.75771%0.712SS**  trans-59.582.2162.1-840000105.3V415 P419V415-C417 PolarHBondContact O-N 2.85Å; C417-P419 WeakPolarHBondContact O-CD 3.04Å; C417-P419 VanDerWaalsContact O-N 3.15Å
418A33.4Very low39.6Very low73 Ų73134.3 Ų134.360%0.60372%0.722SS**  trans-57.2120.2160.600000104I416 A420I416-A418 PolarHBondContact O-N 3.24Å; A418-A420 PolarHBondContact O-N 3.31Å
419P34Very low38.9Very low121 Ų121134 Ų13479%0.78673%0.73SS**  trans-50.2122.1177.2-21.429.8000106.2C417 A421C417-P419 WeakPolarHBondContact O-CD 3.04Å; C417-P419 VanDerWaalsContact O-N 3.15Å; P419-A421 PolarHBondContact O-N 3.45Å
420A40.2Very low38.4Very low94 Ų94134.5 Ų134.578%0.77774%0.735SS**  trans-55.898.1176.100000106.3A418 R422A418-A420 PolarHBondContact O-N 3.31Å; A420-R422 VanDerWaalsContact C-N 3.29Å; A420-R422 PolarHBondContact O-N 3.48Å
421A38Very low37.9Very low85 Ų85135.7 Ų135.770%0.70274%0.743SS**  trans-57105.6170.400000103.7P419 R423P419-A421 PolarHBondContact O-N 3.45Å; A421-R423 PolarHBondContact O-N 3.38Å
422R39.3Very low37.7Very low244 Ų244135.5 Ų135.592%0.92175%0.753SS**  trans-53.682.9178.4-85.5177.9160.7-171.1-4.7108A420 K424A420-R422 VanDerWaalsContact C-N 3.29Å; A420-R422 PolarHBondContact O-N 3.48Å; R422-K424 VanDerWaalsContact C-N 3.29Å; R422-K424 PolarHBondContact O-N 3.24Å
423R40Very low37.4Very low230 Ų230135.2 Ų135.287%0.86875%0.753SS**  trans-70.9101.5159.1-71.6-168.6176.6179.80.4103.1A421 S425A421-R423 PolarHBondContact O-N 3.38Å; R423-S425 PolarHBondContact O-N 3.5Å
424K38.2Very low37Very low188 Ų188135.3 Ų135.382%0.81776%0.76SS**  trans-55.686.3160.3-71.3179.1176.6-178.20106.2R422 N426R422-K424 VanDerWaalsContact C-N 3.29Å; R422-K424 PolarHBondContact O-N 3.24Å; K424-N426 PolarHBondContact O-N 3.4Å
425S40.3Very low36.7Very low86 Ų86133.9 Ų133.960%0.60176%0.761SS**  trans-75.390.5168.157.60000105.6R423 Y427R423-S425 PolarHBondContact O-N 3.5Å; S425-Y427 PolarHBondContact O-N 3.45Å
426N33.8Very low36.2Very low147 Ų147136.1 Ų136.179%0.78677%0.769SS**  trans-67.477.4159.6-69.6-16.3000106.9K424K424-N426 PolarHBondContact O-N 3.4Å
427Y36.8Very low35.7Very low196 Ų196139.8 Ų139.877%0.76978%0.775SS**  trans-99.7121.1154.5-77.1-72000105.9S425 T429S425-Y427 PolarHBondContact O-N 3.45Å; Y427-T429 PolarHBondContact O-N 3.41Å
428P35.3Very low35.4Very low116 Ų116144.5 Ų144.575%0.75378%0.779SS**  trans-61.1108.317124.6-29.8000107.2L430P428-L430 VanDerWaalsContact C-N 3.33Å; P428-L430 PolarHBondContact O-N 3.43Å
429T36.9Very low35.3Very low125 Ų125149.1 Ų149.177%0.76779%0.787SS**  trans-61.3101.1162.730.70000106.5Y427 S431Y427-T429 PolarHBondContact O-N 3.41Å; T429-S431 PolarHBondContact O-N 3.41Å
430L37.1Very low35.1Very low153 Ų153151.1 Ų151.180%0.80179%0.786SS**  trans-67.792.7164.8-139.288.2000106.1P428 T432P428-L430 VanDerWaalsContact C-N 3.33Å; P428-L430 PolarHBondContact O-N 3.43Å; L430-T432 VanDerWaalsContact C-N 3.28Å; L430-T432 PolarHBondContact O-N 3.46Å; L430-T432 PolarHBondContact O-OG1 3.21Å
431S35.6Very low34.8Very low105 Ų105156.2 Ų156.273%0.73479%0.791SS**  trans-62.790.4171.8-46.50000107.8T429 S433T429-S431 PolarHBondContact O-N 3.41Å; S431-S433 PolarHBondContact O-N 3.37Å; S431-S433 VanDerWaalsContact O-N 3.1Å
432T36.7Very low34.6Very low124 Ų124158 Ų15876%0.76179%0.794SS**  trans-81.987.7166.3-16.80000105.7L430 T434L430-T432 VanDerWaalsContact C-N 3.28Å; L430-T432 PolarHBondContact O-N 3.46Å; L430-T432 PolarHBondContact O-OG1 3.21Å; T432-T434 PolarHBondContact O-N 3.39Å
433S33.8Very low34.2Very low103 Ų103152.1 Ų152.172%0.7279%0.79SS**  trans-54.5120.8163.839.50000107.7S431 S435S431-S433 PolarHBondContact O-N 3.37Å; S431-S433 VanDerWaalsContact O-N 3.1Å; S433-S435 VanDerWaalsContact C-N 3.34Å; S433-S435 PolarHBondContact O-N 3.26Å
434T32.2Very low33.7Very low144 Ų144145.9 Ų145.988%0.88378%0.782SS**  trans-60.293.6169.143.20000108.6T432T432-T434 PolarHBondContact O-N 3.39Å
435S34.2Very low33.3Very low109 Ų109143.7 Ų143.776%0.76278%0.779SS**  trans-97.2141.8160.588.40000109S433S433-S435 VanDerWaalsContact C-N 3.34Å; S433-S435 PolarHBondContact O-N 3.26Å
436N30Very low33Very low156 Ų156145.4 Ų145.483%0.83478%0.78SS**  trans-61137.4-160.2-72.6-50.8000113.9Y438N436-Y438 PolarHBondContact O-N 3.05Å
437Y29.1Very low32.9Very low224 Ų224145 Ų14588%0.87878%0.778SS**  trans-70.481.6178.6-146.9-93.5000110.6
438Y28.7Very low33.1Very low212 Ų212142 Ų14283%0.83178%0.775SS**  trans-14793.2160-90.4-84.1000108N436N436-Y438 PolarHBondContact O-N 3.05Å
439H31.9Very low33.3Very low169 Ų169143.4 Ų143.478%0.78278%0.776SS**  trans-165132.8136.9-106.8-71.2000111.3F441H439-F441 PolarHBondContact O-N 3.29Å
440Q28.5Very low33.3Very low164 Ų164143.1 Ų143.177%0.76677%0.774SS**  trans-41.1118.9174.4-72.7150.3-47.500112.8T442Q440-T442 PolarHBondContact O-N 3.18Å
441F34.9Very low33.4Very low201 Ų201142.5 Ų142.588%0.88277%0.771SS**  trans-80.596.1156.6-75.2-77.8000108.2H439 S443H439-F441 PolarHBondContact O-N 3.29Å; F441-S443 PolarHBondContact O-N 3.49Å
442T33.9Very low33.6Very low122 Ų122145.9 Ų145.975%0.74878%0.775SS**  trans-62114159.437.90000108.6Q440 S444Q440-T442 PolarHBondContact O-N 3.18Å; T442-S444 PolarHBondContact O-N 3.09Å
443S30.6Very low33.9Very low120 Ų120147 Ų14784%0.83978%0.775SS**  trans-70.5106.6171.950.50000109.9F441F441-S443 PolarHBondContact O-N 3.49Å
444S30.2Very low34.1Very low100 Ų100150.6 Ų150.670%0.69978%0.778SS**  trans-155.4117.815912.90000112.3T442T442-S444 PolarHBondContact O-N 3.09Å
445N29.4Very low34.7Very low142 Ų142149.1 Ų149.176%0.75977%0.769SS**  trans95.5119139.5-96.4-15.9000122.6
446I34Very low35.1Very low122 Ų122152.9 Ų152.963%0.62677%0.771SS**  trans77.8100.8137.1-56.1158000114.6
447N31.6Very low35.3Very low138 Ų138155.6 Ų155.674%0.73877%0.772SS**  51.36965.4-158.835.4000114.2
448D40.2Very low35.7Very low134 Ų134152.7 Ų152.772%0.71777%0.77SS**  trans-155.8119.2149.3-88.1-39.9000108.9
449N39.1Very low36.2Very low145 Ų145146.4 Ų146.478%0.77576%0.762SS**SBendtrans141.1-1.9158.7-71.4-29.4000115.9
450T37.9Very low36.5Very low118 Ų118147.6 Ų147.672%0.72477%0.766SS**SBendtrans-85.3-6.4178.3-36.80000114.4
451I39.9Very low36.8Very low141 Ų141149.8 Ų149.872%0.72377%0.773SS**SBendtrans-81.7-21.7-176.5-62178.6000113.4L453I451-L453 PolarHBondContact O-N 3.45Å
452Q39.9Very low36.6Very low176 Ų176149.7 Ų149.782%0.82277%0.772SS**THydrogen-bonded Turntrans-80.2-15.4-176.1-71.9-155.525.200116.2
453L42.6Very low36.6Very low146 Ų146151.5 Ų151.576%0.76478%0.777SS**THydrogen-bonded Turntrans-90.7-16.6-175.3-80.3160.3000114.5I451I451-L453 PolarHBondContact O-N 3.45Å
454K37.7Very low36.6Very low180 Ų180157.2 Ų157.278%0.78378%0.78SS**SBendtrans-86.1-18.4-177.5-88.8-176.5175.2-179.80114.8
455T45.1Very low36.7Very low112 Ų112159.1 Ų159.169%0.68779%0.788SS**THydrogen-bonded Turntrans-81.4-15.4-176.4-23.60000113.8
456K40.9Very low36.7Very low188 Ų188161.6 Ų161.682%0.81779%0.794SS**THydrogen-bonded Turntrans-84.9-11.5-174.7-130.1173.2-173.4173.90115.3
457Y34.5Very low36.5Very low214 Ų214160.9 Ų160.984%0.83980%0.8SS**SBendtrans-107.5-3-174.2-86.6-81.5000115.8
458L37.5Very low36.2Very low162 Ų162161.8 Ų161.885%0.84881%0.805SS**SBendtrans-96.2-2.5178.2-94156.8000114.7F460L458-F460 PolarHBondContact O-N 3.16Å
459A40Very low35.7Very low81 Ų81162.5 Ų162.567%0.66981%0.809SS**SBendtrans-88.76.1-176.900000115.6
460F37.4Very low35.2Very low194 Ų194163.1 Ų163.185%0.85181%0.807SS**SBendtrans-139.479.7178.7-92.2-88000111L458L458-F460 PolarHBondContact O-N 3.16Å
461K34.4Very low34.9Very low210 Ų210165.3 Ų165.391%0.91381%0.808SS**SBendtrans160.574.3148.9-90.7171.5178.8-170.50110.8
462K32.3Very low34.2Very low199 Ų199164.6 Ų164.687%0.86582%0.816SS**  trans-157.844.4157.2-143.2-179.7-178-175.40113.9
463D32.6Very low33.8Very low160 Ų160163 Ų16386%0.85681%0.811SS**  trans-13785.2165.5-78.8-42.3000109.1
464R31.3Very low33.2Very low239 Ų239164 Ų16490%0.90281%0.812SS**SBendtrans176.9133.9154-100.2158.5-176.4-169.40.9108
465T32Very low32.6Very low140 Ų140163.5 Ų163.586%0.85981%0.812SS**  trans87.263174.980.60000117.3
466H30.3Very low32Very low194 Ų194166 Ų16690%0.89882%0.816SS**  trans-113.299.7140.7-86.4-54.3000108.3
467S29.5Very low31.2Very low107 Ų107162.4 Ų162.475%0.74881%0.809SS**  trans168.7102.1150.137.70000107.8
468N25.6Very low30.9Very low157 Ų157161.6 Ų161.684%0.8481%0.806SS**  trans154.583.2149.7-83.5-11.9000108.9
469N28.8Very low30.8Very low149 Ų149164.7 Ų164.780%0.79782%0.824SS**  trans-137.8105.5150.2-86.6-21.6000104.6
470H28.9Very low30.4Very low158 Ų158168.9 Ų168.973%0.73183%0.831SS**  65.2100.6105-80.6-73.7000113.4
471H31.6Very low30Very low164 Ų164167.6 Ų167.676%0.75983%0.83SS**  -177.7124.1101-97-53000111.6
472S25.8Very low29.8Very low126 Ų126165.2 Ų165.288%0.88183%0.826SS**  trans-93.5109.1160.7-175.30000106.8
473I30.1Very low29.6Very low142 Ų142163.2 Ų163.273%0.72882%0.823SS**  trans-163.2133.8168.5-54.6-177.3000104.3
474H29.8Very low29.4Very low167 Ų167163.4 Ų163.477%0.77382%0.821SS**  cis-165.7144-17.5-173.1-85.3000102.1H476H474-H476 PolarHBondContact O-N 3.36Å
475H27.1Very low29.3Very low170 Ų170158.4 Ų158.479%0.78782%0.816SS**  trans-54.9131.7170.7-92-97000109.9
476H30.7Very low29.1Very low165 Ų165159.7 Ų159.776%0.76481%0.813SS**  trans-142.1114.9149.2-130-68.3000109.2H474H474-H476 PolarHBondContact O-N 3.36Å
477V24.1Very low29Very low113 Ų113157.1 Ų157.169%0.68581%0.806SS**  trans-78.6150.4163.6170.80000107.9
478Y29.8Very low29Very low196 Ų196161.3 Ų161.377%0.76981%0.811SS**  trans138.5113.8167.8-78.5-65000105.6
479D35.5Very low29.3Very low228 Ų228161.6 Ų161.6100%1.21981%0.809SS**  cis-138.5013.2-80.7-48.9000110.5

Retrieved 479 of 479 residues in 193.2 ms (Link to these results)