A0A077Z5L6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z5L6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 555 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low32.9Very low240 Ų240151.7 Ų151.7100%1.18284%0.839SS**  0120.30-84.6165107.200107.3
2V37.3Very low32.5Very low138 Ų138152.6 Ų152.684%0.83684%0.841SS**  trans46.793.4167.2-156.90000116.8
3H31.3Very low32.7Very low173 Ų173158.3 Ų158.380%0.80184%0.843SS**  trans-0.9148.9137.7-63.5-55.9000118.3
4S36.3Very low32.8Very low104 Ų104154.2 Ų154.273%0.72783%0.833SS**  cis-175.4139.7-3.5-86.20000106.4
5G29.6Very low32.9Very low70 Ų70148.6 Ų148.672%0.72283%0.825SS**  trans62.582136.500000118.9E7G5-E7 VanDerWaalsContact C-N 3.29Å; G5-E7 PolarHBondContact O-N 3.47Å; G5-E7 VanDerWaalsContact O-N 3.15Å
6S29.9Very low33Very low128 Ų128151.1 Ų151.190%0.89583%0.828SS**  trans-7678.1153.6-48.90000109.4
7E33.8Very low33.3Very low171 Ų171156.1 Ų156.180%0.79983%0.832SS**  trans-111.699.3174.7-70.7-166.516100111.3G5 N9G5-E7 VanDerWaalsContact C-N 3.29Å; G5-E7 PolarHBondContact O-N 3.47Å; G5-E7 VanDerWaalsContact O-N 3.15Å; E7-N9 PolarHBondContact O-N 3.13Å; E7-N9 VanDerWaalsContact O-N 3.1Å
8T32Very low33.9Very low149 Ų149151.7 Ų151.791%0.91482%0.816SS**  trans-66.492.5162.141.40000109.1
9N30.7Very low34.4Very low140 Ų140154.8 Ų154.875%0.74982%0.821SS**  trans-111.4135.8175.3-155.7-3.8000112.9E7E7-N9 PolarHBondContact O-N 3.13Å; E7-N9 VanDerWaalsContact O-N 3.1Å
10K29.6Very low34.8Very low180 Ų180155.5 Ų155.578%0.78382%0.819SS**  trans-69133.3-170.3-62.5158.4175.7169.70111.2
11Q34.5Very low35Very low176 Ų176152 Ų15282%0.82281%0.807SS**  trans-140101.2142.4-76.3-160-17.900110.8R13Q11-R13 PolarHBondContact O-N 2.81Å; Q11-R13 VanDerWaalsContact O-N 3.09Å
12N28.9Very low35.2Very low162 Ų162151.5 Ų151.587%0.86679%0.792SS**  trans-53.8104159.5-73.6-32.9000109.2S14N12-S14 PolarHBondContact O-N 3.2Å
13R35.4Very low35.4Very low227 Ų227151.9 Ų151.986%0.85779%0.788SS**  trans-82.5103.7161.8-76.9-171.6175.2-178.9-0.6108.3Q11 G15Q11-R13 PolarHBondContact O-N 2.81Å; Q11-R13 VanDerWaalsContact O-N 3.09Å; R13-G15 PolarHBondContact O-N 3.44Å
14S33.1Very low35.8Very low101 Ų101149.2 Ų149.271%0.70679%0.788SS**  trans-16.6111.8165.953.30000114.3N12 H16N12-S14 PolarHBondContact O-N 3.2Å; S14-H16 PolarHBondContact O-N 2.75Å
15G34Very low35.8Very low70 Ų70155.4 Ų155.472%0.72280%0.795SS**  trans-54.6125.9162.200000109.5R13 R17R13-G15 PolarHBondContact O-N 3.44Å; G15-R17 PolarHBondContact O-N 2.92Å
16H35.2Very low36.2Very low188 Ų188159.9 Ų159.987%0.8780%0.797SS**  trans-55.9107.9173.7-77.6-89.4000108.9S14 S18S14-H16 PolarHBondContact O-N 2.75Å; H16-S18 VanDerWaalsContact C-N 3.26Å; H16-S18 PolarHBondContact O-N 3.18Å
17R37.6Very low36.4Very low236 Ų236163 Ų16389%0.89180%0.797SS**  trans-65.893.1161.8-71.1-175.6171.3-169.2-1.9106.4G15 K19G15-R17 PolarHBondContact O-N 2.92Å; R17-K19 PolarHBondContact O-N 2.88Å
18S43.8Very low36.3Very low78 Ų78160.1 Ų160.155%0.54580%0.796SS.*  trans-54.8126162.961.50000106.5H16 H20H16-S18 VanDerWaalsContact C-N 3.26Å; H16-S18 PolarHBondContact O-N 3.18Å; S18-H20 PolarHBondContact O-N 3.13Å
19K43.8Very low36.2Very low211 Ų211162.1 Ų162.192%0.91780%0.795SS**  trans-65.288.7176.5-69.2174.7-179.7174.50106.7R17 C21R17-K19 PolarHBondContact O-N 2.88Å; K19-C21 PolarHBondContact O-N 3Å
20H42.2Very low36.2Very low168 Ų168164 Ų16478%0.77881%0.805SS**  trans-57.3127.6171.5-75.7-72.4000108.4S18 R22S18-H20 PolarHBondContact O-N 3.13Å; H20-R22 PolarHBondContact O-N 3.12Å; H20-R22 VanDerWaalsContact O-N 3.13Å
21C39.8Very low36.4Very low82 Ų82159.9 Ų159.955%0.55480%0.804SS**  trans-47.1118.8176.5-178.20000109.6K19 L23 C24K19-C21 PolarHBondContact O-N 3Å; C21-L23 PolarHBondContact O-N 3.28Å; C21-C24 PolarHBondContact O-N 2.9Å
22R41.3Very low36Very low230 Ų230157.3 Ų157.387%0.86881%0.805SS**G310 helixtrans-59.7-17.9-173.8-147.5174.7-173.5161.5-0.1112.5H20H20-R22 PolarHBondContact O-N 3.12Å; H20-R22 VanDerWaalsContact O-N 3.13Å
23L41.5Very low36.2Very low145 Ų145154.8 Ų154.876%0.75980%0.8SS**G310 helixtrans-79.5-17.9-178.2-64.6173.1000114.3C21 R25C21-L23 PolarHBondContact O-N 3.28Å; L23-R25 VanDerWaalsContact C-N 3.29Å; L23-R25 PolarHBondContact O-N 3.21Å
24C38.6Very low36Very low118 Ų118149.3 Ų149.380%0.79780%0.797SS**G310 helixtrans-87.15.8177.1-620000113.8C21C21-C24 PolarHBondContact O-N 2.9Å
25R37.7Very low36.1Very low233 Ų233149.9 Ų149.988%0.87980%0.801SS**G310 helixtrans-109.33.5-175.9-128.4-177.4-178.11750.6115L23L23-R25 VanDerWaalsContact C-N 3.29Å; L23-R25 PolarHBondContact O-N 3.21Å
26Q36.2Very low35.9Very low165 Ų165152.1 Ų152.177%0.77180%0.804SS**  trans-107.479.8174.1-86.3-173.8-14.800109.9
27E34.1Very low35.7Very low192 Ų192151 Ų15190%0.89781%0.805SS**SBendtrans-174.165.2157.5-107.9169.9-152.900109.1
28S32.6Very low35.2Very low111 Ų111150.3 Ų150.378%0.77680%0.802SS**  trans-175.557.1161.331.60000110.6
29Q30.7Very low35Very low191 Ų191154.5 Ų154.589%0.89382%0.818SS**  trans-126.395.8154.3-79.6-167.3-11.600108.4A31Q29-A31 PolarHBondContact O-N 2.77Å; Q29-A31 VanDerWaalsContact O-N 3.13Å
30L30.3Very low34.3Very low181 Ų181152 Ų15295%0.94881%0.809SS**  trans-58.7103.6161.4-76129.6000107.8
31A33.2Very low34Very low92 Ų92152.4 Ų152.476%0.7682%0.816SS**  trans-117.2103.7166.600000108.6Q29Q29-A31 PolarHBondContact O-N 2.77Å; Q29-A31 VanDerWaalsContact O-N 3.13Å
32S27.1Very low33.6Very low122 Ų122154.1 Ų154.185%0.85383%0.829SS**  trans-58.1125.4168.8-55.50000111.7
33S33.1Very low33.2Very low109 Ų109146.6 Ų146.676%0.76282%0.823SS**  trans-169.7107.2146.947.80000106.3
34S31.2Very low32.6Very low113 Ų113147.4 Ų147.479%0.7983%0.828SS**  63.4120.579.8-177.30000113.5
35S33.7Very low32.5Very low113 Ų113150.3 Ų150.379%0.7983%0.83SS**  trans85.3110.316671.60000119.1
36C29.7Very low32.1Very low117 Ų117144.4 Ų144.479%0.79182%0.824SS**  trans-27.8134.5158.3-54.70000115.6
37N31.7Very low31.8Very low165 Ų165141.5 Ų141.588%0.88282%0.822SS**  trans-146118.8135.4-97.4-32.9000110.2
38R27.9Very low31.8Very low220 Ų220138.9 Ų138.983%0.8382%0.819SS**  trans-94.7102.3179.8179.2-174.1-170.7-173.63.8106.7
39L37.8Very low31.7Very low167 Ų167138.9 Ų138.987%0.87482%0.815SS**  trans-136.7120.7162.2-75.8177.2000109.7
40H31.1Very low31.8Very low157 Ų157134.1 Ų134.173%0.72781%0.808SS**  trans-58.7142.3164.2-74.5-119.5000109.7
41L35.5Very low32.1Very low177 Ų177136.4 Ų136.493%0.92780%0.804SS**  trans-164.7116.7138.3-100.5147.9000108.7G43L41-G43 PolarHBondContact O-N 2.93Å
42S30.6Very low32.2Very low119 Ų119137.4 Ų137.483%0.83281%0.806SS**  trans-58.3124.9168.6-43.70000109.4
43G33.5Very low32.7Very low72 Ų72138.1 Ų138.174%0.74280%0.804SS**  trans-142.780.1170.300000107.2L41L41-G43 PolarHBondContact O-N 2.93Å
44D28.6Very low32.7Very low161 Ų161138.5 Ų138.586%0.86181%0.805SS**  trans-59.9131.3153.8-74.7-43.3000106.9
45E36.7Very low33.1Very low179 Ų179137.3 Ų137.384%0.83680%0.797SS**  trans160.683.4151.4-71.7-115.5139.300106.7S47E45-S47 PolarHBondContact O-N 3.29Å
46S28Very low33.5Very low110 Ų110141.4 Ų141.477%0.76980%0.801SS**  trans22.986.2137.156.60000117.5
47S31.4Very low33.9Very low104 Ų104143.5 Ų143.573%0.72780%0.799SS**  trans-118.196.414469.90000107.3E45 T49E45-S47 PolarHBondContact O-N 3.29Å; S47-T49 PolarHBondContact O-N 2.96Å
48V32.7Very low34.2Very low137 Ų137145.9 Ų145.983%0.8380%0.795SS**  trans-60.891.2171.8177.30000106.9A50V48-A50 VanDerWaalsContact C-N 3.29Å; V48-A50 PolarHBondContact O-N 3.04Å
49T31Very low34.9Very low111 Ų111144 Ų14468%0.68180%0.795SS**  trans-64.2100.4162.945.60000105.9S47 R51S47-T49 PolarHBondContact O-N 2.96Å; T49-R51 PolarHBondContact O-N 2.93Å
50A34Very low35.2Very low91 Ų91144.4 Ų144.475%0.75279%0.793SS**  trans-55.491.9169.800000108V48 S52V48-A50 VanDerWaalsContact C-N 3.29Å; V48-A50 PolarHBondContact O-N 3.04Å; A50-S52 PolarHBondContact O-N 3.31Å
51R35.2Very low35.6Very low228 Ų228140.1 Ų140.186%0.8679%0.791SS**  trans-64.594.7165.8-83.6179.2157.4173.4-5.7105.4T49 V53T49-R51 PolarHBondContact O-N 2.93Å; R51-V53 WeakPolarHBondContact O-CG2 3.47Å; R51-V53 PolarHBondContact O-N 3.15Å
52S35.9Very low36.1Very low114 Ų114142.4 Ų142.480%0.79779%0.787SS**  trans-56.9107.3173.3680000107.3A50 C54A50-S52 PolarHBondContact O-N 3.31Å; S52-C54 PolarHBondContact O-N 3.36Å; S52-C54 VanDerWaalsContact O-N 3.12Å
53V37.7Very low37.2Very low137 Ų137148.1 Ų148.183%0.8379%0.791SS**  trans-66113.5-175.7-165.10000106.7R51 S55R51-V53 WeakPolarHBondContact O-CG2 3.47Å; R51-V53 PolarHBondContact O-N 3.15Å; V53-S55 PolarHBondContact O-N 3.23Å
54C33.7Very low37.8Very low116 Ų116152.7 Ų152.778%0.78479%0.792SS**  trans-63.3104.5175-167.70000107.7S52 K56S52-C54 PolarHBondContact O-N 3.36Å; S52-C54 VanDerWaalsContact O-N 3.12Å; C54-K56 PolarHBondContact O-N 3.09Å
55S39Very low38.4Very low89 Ų89156.5 Ų156.562%0.62280%0.795SS**  trans-54.6111.51761740000109V53 H57V53-S55 PolarHBondContact O-N 3.23Å; S55-H57 PolarHBondContact O-N 3.27Å; S55-H57 VanDerWaalsContact O-N 3.15Å
56K42.1Very low38.9Very low199 Ų199152.9 Ų152.987%0.86579%0.789SS**  trans-70.6106.4172.8-72-179177.9177.90107.4C54 R58C54-K56 PolarHBondContact O-N 3.09Å; K56-R58 PolarHBondContact O-N 3.06Å
57H38.6Very low39.5Very low160 Ų160153.6 Ų153.674%0.74179%0.794SS**  trans-58113.1169.5-71.6-75.5000109.5S55 H59S55-H57 PolarHBondContact O-N 3.27Å; S55-H57 VanDerWaalsContact O-N 3.15Å; H57-H59 PolarHBondContact O-N 3.15Å; H57-H59 VanDerWaalsContact O-N 3.17Å
58R38.1Very low39.8Very low215 Ų215157.7 Ų157.781%0.81180%0.799SS**  trans-75.9101.9176.8-158.7175.6-171.3168.52107.4K56 H60K56-R58 PolarHBondContact O-N 3.06Å; R58-H60 PolarHBondContact O-N 3.1Å
59H40.7Very low40Very low180 Ų180156.7 Ų156.783%0.83380%0.798SS**  trans-61.9111.2172.5-72.4-75.4000109.3H57 G61H57-H59 PolarHBondContact O-N 3.15Å; H57-H59 VanDerWaalsContact O-N 3.17Å; H59-G61 VanDerWaalsContact C-N 3.29Å; H59-G61 PolarHBondContact O-N 3.17Å
60H45.9Very low40Very low177 Ų177158.1 Ų158.182%0.81981%0.806SS**  trans-71.388.9169.2-74.3-78.8000108.7R58 R62R58-H60 PolarHBondContact O-N 3.1Å; H60-R62 PolarHBondContact O-N 3.06Å
61G39.1Very low39.9Very low67 Ų67158.2 Ų158.269%0.69180%0.801SS**  trans-59117.5171.600000110.4H59 R63H59-G61 VanDerWaalsContact C-N 3.29Å; H59-G61 PolarHBondContact O-N 3.17Å; G61-R63 PolarHBondContact O-N 2.94Å; G61-R63 VanDerWaalsContact O-N 3.09Å
62R46.4Very low39.8Very low225 Ų225151.8 Ų151.885%0.84980%0.797SS**  trans-62.2106.7177.1-150.3179.1-163.1-1495.1108.8H60 H64H60-R62 PolarHBondContact O-N 3.06Å; R62-H64 PolarHBondContact O-N 3.11Å
63R52.5Low39.6Very low238 Ų238154.2 Ų154.290%0.89880%0.796SS**  trans-72.1109.9174.7-71.8-177.4179.8-178.3-0.7108.8G61 R65G61-R63 PolarHBondContact O-N 2.94Å; G61-R63 VanDerWaalsContact O-N 3.09Å; R63-R65 PolarHBondContact O-N 3.05Å; R63-R65 VanDerWaalsContact O-N 3.17Å
64H45.4Very low39.4Very low168 Ų168154.1 Ų154.178%0.77880%0.796SS**  trans-65.5110.4167-70.3-88.7000108.4R62 S66R62-H64 PolarHBondContact O-N 3.11Å; H64-S66 VanDerWaalsContact C-N 3.34Å; H64-S66 PolarHBondContact O-N 3.17Å
65R41.9Very low39.2Very low242 Ų242157.6 Ų157.691%0.91380%0.8SS**  trans-71.294.9165.5-81.5-176.7175-177.6-1.5107.2R63 S67R63-R65 PolarHBondContact O-N 3.05Å; R63-R65 VanDerWaalsContact O-N 3.17Å; R65-S67 PolarHBondContact O-N 3.2Å
66S46.7Very low38.9Very low102 Ų102162.7 Ų162.771%0.71381%0.814SS**  trans-67.3117.4163.952.80000108.4H64 K68H64-S66 VanDerWaalsContact C-N 3.34Å; H64-S66 PolarHBondContact O-N 3.17Å; S66-K68 PolarHBondContact O-N 3.49Å
67S42Very low38.3Very low125 Ų125158.9 Ų158.987%0.87481%0.808SS**  trans-60.9101.6173-34.60000109.2R65R65-S67 PolarHBondContact O-N 3.2Å
68K36.2Very low38.3Very low190 Ų190159.4 Ų159.483%0.82682%0.815SS**  trans-84.4116.5165.7-94.3-179.5173179.70107.9S66 V70S66-K68 PolarHBondContact O-N 3.49Å; K68-V70 PolarHBondContact O-N 3.09Å
69S37.1Very low38.1Very low117 Ų117155.2 Ų155.282%0.81881%0.808SS**  trans-58.9121.9167.247.80000109.6S71S69-S71 PolarHBondContact O-N 3.21Å
70V32.1Very low37.8Very low140 Ų140153.3 Ų153.385%0.84880%0.804SS**  trans-83.7110.8171.7177.80000107K68K68-V70 PolarHBondContact O-N 3.09Å
71S31.8Very low37.5Very low93 Ų93152.2 Ų152.265%0.6581%0.809SS**  trans-69.1125.11701650000108.4S69S69-S71 PolarHBondContact O-N 3.21Å
72A33.2Very low37.1Very low94 Ų94155.3 Ų155.378%0.77781%0.81SS**  trans-83.8104.2168.800000107.4
73E31.1Very low36.4Very low165 Ų165150.1 Ų150.177%0.77181%0.808SS**  trans-165.5145.2168.5-110.5164-145.600109.1
74T33.7Very low35.3Very low134 Ų134142.8 Ų142.882%0.82281%0.807SS**  trans95.875.817466.20000117.5
75E28.9Very low34.6Very low189 Ų189138.2 Ų138.288%0.88381%0.805SS**  -4.4123.6125-59178.116200115.8
76Q33.2Very low34Very low196 Ų196136.8 Ų136.892%0.91681%0.805SS**  trans-143.5118.8147.9-112.3175.925.700111
77T29.7Very low33.4Very low120 Ų120138.6 Ų138.674%0.73681%0.812SS**  trans-72.9125177.230.70000111.5
78L39.2Very low33Very low170 Ų170138 Ų13889%0.8982%0.815SS**  trans-122.585.4156.1-80.5163.6000105.3
79I33.9Very low32.8Very low128 Ų128133.7 Ų133.766%0.65681%0.809SS**  58.493.892.5-55.4173.2000111.4
80N34.1Very low32.3Very low139 Ų139140.1 Ų140.174%0.74382%0.815SS**  trans36.398.9133.8-57.8-3.3000117.2
81V38.4Very low32.3Very low154 Ų154140.8 Ų140.893%0.93381%0.813SS**  trans-102.2101.5141.2-171.40000106.4
82D31Very low32.3Very low133 Ų133140 Ų14071%0.71181%0.813SS**  trans-93.8161.1-178.8-149.6-14.5000109.7
83S32.8Very low32.2Very low116 Ų116145.3 Ų145.381%0.81182%0.818SS**  trans81.3112.1164.467.90000120.9
84G29.4Very low32.3Very low84 Ų84143.6 Ų143.687%0.86681%0.813SS**  142.796128.200000118.6
85G29.4Very low32.3Very low72 Ų72146.4 Ų146.474%0.74282%0.817SS**  trans97.487.7153.900000115.5
86K30.8Very low32.5Very low211 Ų211144.4 Ų144.492%0.91781%0.808SS**  40.487.983-71.4-173.8179.61770115.1
87T33.4Very low32.2Very low141 Ų141143.6 Ų143.687%0.86580%0.804SS**  trans-157.7107.6133.229.10000109.4S89T87-S89 PolarHBondContact O-N 3.05Å
88A33.3Very low32.2Very low112 Ų112146.4 Ų146.493%0.92681%0.808SS**  trans-72.8112.3161.700000107.9
89S31.6Very low31.9Very low100 Ų100145.9 Ų145.970%0.69980%0.802SS**  trans-124.9108.7160.8-172.50000108.9T87 L91T87-S89 PolarHBondContact O-N 3.05Å; S89-L91 PolarHBondContact O-N 3.18Å; S89-L91 VanDerWaalsContact O-N 3.14Å
90R26.7Very low31.8Very low251 Ų251149 Ų14995%0.94781%0.813SS**  trans-75.585.3178.4-169.9179.9-176.7-177.90.5107A92R90-A92 PolarHBondContact O-N 2.76Å
91L32.4Very low31.7Very low154 Ų154147.9 Ų147.981%0.80681%0.812SS**  trans-84.3112.6172-106.2152.1000109S89S89-L91 PolarHBondContact O-N 3.18Å; S89-L91 VanDerWaalsContact O-N 3.14Å
92A32.7Very low31.3Very low78 Ų78149.1 Ų149.165%0.64581%0.807SS**  trans-61.8152.1-17800000112R90 L94R90-A92 PolarHBondContact O-N 2.76Å; A92-L94 PolarHBondContact O-N 3.28Å; A92-L94 VanDerWaalsContact O-N 3.07Å
93K29.9Very low31.5Very low205 Ų205148.4 Ų148.489%0.89181%0.808SS**  trans-40.7110.9160-74173.5169.1-175.90110.1
94L34.5Very low31.5Very low129 Ų129151.2 Ų151.268%0.67581%0.808SS**  trans-101.598.5160.1-107.3144.6000105.8A92 Q96A92-L94 PolarHBondContact O-N 3.28Å; A92-L94 VanDerWaalsContact O-N 3.07Å; L94-Q96 HydrophobicContact CD2-CG 4.26Å; L94-Q96 PolarHBondContact O-N 3.25Å
95E33.7Very low31.8Very low192 Ų192154.5 Ų154.590%0.89781%0.805SS**  trans-6291.8155-76171.1159.200106
96Q31.8Very low32.5Very low148 Ų148156 Ų15669%0.69280%0.802SS**  trans-98.9103.2173.3-125.5175.2-20.200108.4L94 E98L94-Q96 HydrophobicContact CD2-CG 4.26Å; L94-Q96 PolarHBondContact O-N 3.25Å; Q96-E98 PolarHBondContact O-N 3.17Å
97H27.5Very low32.9Very low178 Ų178151.5 Ų151.582%0.82480%0.797SS**  trans-61.289.2168.6-164.3-64.3000108.2E99H97-E99 PolarHBondContact O-N 3.34Å; H97-E99 VanDerWaalsContact O-N 3.16Å
98E30.8Very low32.9Very low179 Ų179150.9 Ų150.984%0.83679%0.788SS**  trans-80.498.5173.1-81.6-174.3165.500109.4Q96 E100Q96-E98 PolarHBondContact O-N 3.17Å; E98-E100 PolarHBondContact O-N 3.42Å
99E32.5Very low32.9Very low160 Ų160152.6 Ų152.675%0.74878%0.781SS**  trans-54118.3167.1-151.8167.2-170.200109.4H97 T101H97-E99 PolarHBondContact O-N 3.34Å; H97-E99 VanDerWaalsContact O-N 3.16Å; E99-T101 VanDerWaalsContact C-N 3.35Å; E99-T101 PolarHBondContact O-N 3.04Å
100E31.6Very low33Very low193 Ų193154.5 Ų154.590%0.90278%0.782SS**  trans-57.694.1173.5-80178.3141.400109.7E98 Q102E98-E100 PolarHBondContact O-N 3.42Å; E100-Q102 PolarHBondContact O-N 3.47Å
101T31.3Very low33.3Very low116 Ų116151.2 Ų151.271%0.71278%0.775SS**  trans-82.2100.517130.70000108.2E99 T103E99-T101 VanDerWaalsContact C-N 3.35Å; E99-T101 PolarHBondContact O-N 3.04Å; T101-T103 VanDerWaalsContact C-N 3.3Å; T101-T103 PolarHBondContact O-N 3.41Å; T101-T103 PolarHBondContact O-OG1 3.47Å
102Q30.8Very low33.3Very low179 Ų179149.6 Ų149.684%0.83678%0.776SS**  trans-5594167-69.7179.4-4.600109E100 E104E100-Q102 PolarHBondContact O-N 3.47Å; Q102-E104 PolarHBondContact O-N 3.48Å
103T34.1Very low33.1Very low118 Ų118148.6 Ų148.672%0.72477%0.773SS**  trans-83.793.3173.9-45.30000106.6T101 L105T101-T103 VanDerWaalsContact C-N 3.3Å; T101-T103 PolarHBondContact O-N 3.41Å; T101-T103 PolarHBondContact O-OG1 3.47Å; T103-L105 PolarHBondContact O-N 3.09Å
104E32.8Very low33.1Very low176 Ų176149.5 Ų149.582%0.82277%0.773SS**  trans-57.7101.7168.8-71.1-177.4166.400108.6Q102 P106Q102-E104 PolarHBondContact O-N 3.48Å; E104-P106 WeakPolarHBondContact O-CD 3.21Å
105L36.4Very low33.1Very low153 Ų153149.5 Ų149.580%0.80178%0.778SS**  trans-65.3124170.8-86.7156.5000108.3T103 S107T103-L105 PolarHBondContact O-N 3.09Å; L105-S107 PolarHBondContact O-N 3.09Å
106P43.1Very low33Very low104 Ų104147.8 Ų147.868%0.67578%0.775SS**  trans-63128.4-178.822.1-30.5000110.6E104 N108E104-P106 WeakPolarHBondContact O-CD 3.21Å; P106-N108 PolarHBondContact O-N 3.39Å
107S40.1Very low33.1Very low116 Ų116148.7 Ų148.781%0.81178%0.784SS**SBendtrans-66.515.6-176.447.20000115.7L105L105-S107 PolarHBondContact O-N 3.09Å
108N32.8Very low33.6Very low127 Ų127145.1 Ų145.168%0.67978%0.777SS**  trans-117.233.4-170.4-68.9-27.6000113.9P106 I110P106-N108 PolarHBondContact O-N 3.39Å; N108-I110 PolarHBondContact O-N 3.44Å
109L34.5Very low33.7Very low148 Ų148143.5 Ų143.578%0.77577%0.774SS**  trans-74.969.1161.6-78.7164.9000109.4F111L109-F111 PolarHBondContact O-N 3.07Å
110I33.3Very low34.1Very low140 Ų140143.3 Ų143.372%0.71878%0.776SS**  trans-71.2104.3164.2-57.2174.3000105.4N108 S112N108-I110 PolarHBondContact O-N 3.44Å; I110-S112 VanDerWaalsContact C-N 3.35Å; I110-S112 PolarHBondContact O-N 2.97Å
111F33.2Very low34.2Very low183 Ų183141.4 Ų141.480%0.80377%0.772SS**  trans-6293.8173.3-87.3-97.2000109.8L109 G113L109-F111 PolarHBondContact O-N 3.07Å; F111-G113 PolarHBondContact O-N 2.77Å
112S32.4Very low34.6Very low119 Ų119140.1 Ų140.183%0.83277%0.768SS**  trans-77.365.9169.153.40000110.3I110I110-S112 VanDerWaalsContact C-N 3.35Å; I110-S112 PolarHBondContact O-N 2.97Å
113G29.1Very low34.9Very low57 Ų57140 Ų14059%0.58877%0.774SS**  trans-108-13.7-173.100000116.7F111F111-G113 PolarHBondContact O-N 2.77Å
114Y29.9Very low34.9Very low224 Ų224138.8 Ų138.888%0.87877%0.77SS**  trans-116.164.1-165.1-62.1-78.4000113.5
115T32.6Very low35.1Very low129 Ų129136.3 Ų136.379%0.79177%0.769SS**  trans-136.617.8170.938.70000115.5
116N32.1Very low35.1Very low156 Ų156137 Ų13783%0.83477%0.772SS**  trans-120.160.1172.7-65-36000111.2P118N116-P118 WeakPolarHBondContact O-CD 3.18Å
117L34.4Very low34.7Very low168 Ų168141.1 Ų141.188%0.8878%0.78SS**  trans-81.4114.8156.3-82.9163.2000106.3D119L117-D119 PolarHBondContact O-N 3.17Å
118P37.3Very low34.7Very low103 Ų103143.7 Ų143.767%0.66978%0.781SS**  trans-61.8123.8177.723-30000109.1N116 I120N116-P118 WeakPolarHBondContact O-CD 3.18Å; P118-I120 VanDerWaalsContact O-CG1 3.26Å; P118-I120 WeakPolarHBondContact O-CG1 3.13Å; P118-I120 PolarHBondContact O-N 3.5Å; P118-I120 VanDerWaalsContact O-N 3.08Å
119D34.3Very low35Very low145 Ų145145 Ų14578%0.77579%0.788SS**  trans-61.5106.9175.7-135.2-18.8000108.3L117 N121L117-D119 PolarHBondContact O-N 3.17Å; D119-N121 PolarHBondContact O-N 3.46Å; D119-N121 VanDerWaalsContact O-N 3.13Å
120I40Very low35Very low155 Ų155144.9 Ų144.980%0.79579%0.788SS**  trans-751-170.9-53.6-179.5000111.6P118 S122P118-I120 VanDerWaalsContact O-CG1 3.26Å; P118-I120 WeakPolarHBondContact O-CG1 3.13Å; P118-I120 PolarHBondContact O-N 3.5Å; P118-I120 VanDerWaalsContact O-N 3.08Å; I120-S122 PolarHBondContact O-N 3.23Å
121N34.2Very low35Very low153 Ų153146.4 Ų146.482%0.81879%0.792SS**  trans-93.744.1-173.1-73-16000114.8D119D119-N121 PolarHBondContact O-N 3.46Å; D119-N121 VanDerWaalsContact O-N 3.13Å
122S39Very low35.2Very low90 Ų90143.1 Ų143.163%0.62979%0.789SS**  trans-130.9102.1166.460.70000112.5I120 S124I120-S122 PolarHBondContact O-N 3.23Å; S122-S124 PolarHBondContact O-N 2.91Å
123D36.6Very low35.5Very low177 Ų177146.3 Ų146.395%0.94779%0.788SS**  trans-66.452.4166.7-74.5-41.1000111.9
124S34.7Very low35.7Very low92 Ų92150.7 Ų150.764%0.64380%0.798SS**  trans-106.1114.7172.9-90.80000110.7S122 L126S122-S124 PolarHBondContact O-N 2.91Å; S124-L126 PolarHBondContact O-N 3.06Å
125P36.6Very low36Very low123 Ų123146.2 Ų146.280%0.79979%0.794SS**  trans-65.6103.9174.324.3-29.8000109.4K127P125-K127 PolarHBondContact O-N 2.96Å
126L37.8Very low36.1Very low168 Ų168146.5 Ų146.588%0.8879%0.789SS**  trans-62.7102.4170.7-84.3159.2000108.5S124 M128S124-L126 PolarHBondContact O-N 3.06Å; L126-M128 PolarHBondContact O-N 3.37Å; L126-M128 VanDerWaalsContact O-N 3.1Å
127K35Very low36.3Very low191 Ų191145.4 Ų145.483%0.8378%0.783SS**  trans-51115.1166.5-86.8179.8171.9178.10108.9P125 N129P125-K127 PolarHBondContact O-N 2.96Å; K127-N129 PolarHBondContact O-N 2.93Å
128M39.5Very low36.4Very low170 Ų170143.8 Ų143.884%0.83778%0.775SS**  trans-62.1102.2164.5-65.7-164.1179.500107.8L126 D130L126-M128 PolarHBondContact O-N 3.37Å; L126-M128 VanDerWaalsContact O-N 3.1Å; M128-D130 PolarHBondContact O-N 3.08Å
129N38.9Very low36.2Very low153 Ų153145.8 Ų145.882%0.81878%0.78SS**  trans-83.9102.1162.4-96.2-23.9000106.9K127 Q131K127-N129 PolarHBondContact O-N 2.93Å; N129-Q131 PolarHBondContact O-N 2.87Å
130D35Very low36.2Very low147 Ų147147.4 Ų147.479%0.78678%0.783SS**  trans-67.559.4172.2-69.1-40.6000111.7M128 P132M128-D130 PolarHBondContact O-N 3.08Å; D130-P132 WeakPolarHBondContact O-CD 3.41Å
131Q33.5Very low36.1Very low171 Ų171143.9 Ų143.980%0.79978%0.777SS**  trans-95.3112.7164.8-106.9-165.8-1.800109.7N129 K133N129-Q131 PolarHBondContact O-N 2.87Å; Q131-K133 PolarHBondContact O-N 2.78Å
132P37.5Very low36.1Very low115 Ų115140.8 Ų140.875%0.74777%0.767SS**  trans-63.2104.1167.726.9-31.1000106.9D130 D134D130-P132 WeakPolarHBondContact O-CD 3.41Å; P132-D134 PolarHBondContact O-N 2.8Å; P132-D134 VanDerWaalsContact O-N 3.1Å
133K38Very low35.8Very low185 Ų185145.6 Ų145.680%0.80478%0.78SS**  trans-64.2112.9163.7-93.7177.6174.5176.70106.2Q131 V135Q131-K133 PolarHBondContact O-N 2.78Å; K133-V135 VanDerWaalsContact C-N 3.3Å; K133-V135 PolarHBondContact O-N 2.85Å
134D32.4Very low35.7Very low149 Ų149145.2 Ų145.280%0.79777%0.772SS**  trans-48.298162.7-74.7-41.4000108.1P132 I136P132-D134 PolarHBondContact O-N 2.8Å; P132-D134 VanDerWaalsContact O-N 3.1Å; D134-I136 PolarHBondContact O-N 2.91Å
135V36.5Very low35.7Very low130 Ų130146.2 Ų146.279%0.78878%0.775SS**  trans-74.385.9167.5-177.50000104.8K133 N137K133-V135 VanDerWaalsContact C-N 3.3Å; K133-V135 PolarHBondContact O-N 2.85Å; V135-N137 PolarHBondContact O-N 2.97Å
136I34.9Very low35.6Very low136 Ų136149.8 Ų149.870%0.69778%0.778SS**  trans-44.7124.2161.8-65.5166.4000106.5D134 L138D134-I136 PolarHBondContact O-N 2.91Å; I136-L138 PolarHBondContact O-N 3.31Å
137N35.7Very low35.3Very low133 Ų133146.5 Ų146.571%0.71177%0.769SS**  trans-42.397.5174.1-65.5-33.4000109.9V135 D139V135-N137 PolarHBondContact O-N 2.97Å; N137-D139 PolarHBondContact O-N 3.23Å
138L37Very low35.4Very low134 Ų134143.2 Ų143.270%0.70277%0.765SS**  trans-78.468.2164-117.395.6000106.8I136 Q140 A141I136-L138 PolarHBondContact O-N 3.31Å; L138-Q140 PolarHBondContact O-N 3.08Å; L138-A141 PolarHBondContact O-N 3.04Å
139D33.6Very low35.4Very low145 Ų145140 Ų14078%0.77576%0.759SS**THydrogen-bonded Turntrans-7020.6165.2-76.9-30.6000111.6N137N137-D139 PolarHBondContact O-N 3.23Å
140Q34.5Very low35.4Very low178 Ų178137.8 Ų137.883%0.83276%0.755SS**THydrogen-bonded Turntrans-141.441.4177.1-69.6-172.3-2.800110.9L138 S142L138-Q140 PolarHBondContact O-N 3.08Å; Q140-S142 VanDerWaalsContact C-N 3.33Å; Q140-S142 PolarHBondContact O-N 3.41Å
141A36.8Very low35.7Very low81 Ų81135.3 Ų135.367%0.66975%0.746SS**  trans-79.198150.900000105.8L138L138-A141 PolarHBondContact O-N 3.04Å
142S35Very low36.1Very low88 Ų88131.7 Ų131.762%0.61573%0.731SS**  trans-38.7143.817151.80000110.6Q140 E144Q140-S142 VanDerWaalsContact C-N 3.33Å; Q140-S142 PolarHBondContact O-N 3.41Å; S142-E144 PolarHBondContact O-N 2.85Å
143E33.3Very low36.2Very low191 Ų191131 Ų13189%0.89373%0.725SS**  trans-53.783.2158.7-67.8-178.6154.700108.2T145E143-T145 PolarHBondContact O-N 2.93Å
144E33.6Very low36.3Very low169 Ų169124 Ų12479%0.7971%0.705SS**  trans-64.296.1160.9-78.5-171165.200103.7S142 K146S142-E144 PolarHBondContact O-N 2.85Å; E144-K146 PolarHBondContact O-N 3.04Å
145T35.5Very low37Very low114 Ų114123.7 Ų123.770%0.69970%0.699SS**  trans-43.4107.1164.640.30000106.4E143 S147E143-T145 PolarHBondContact O-N 2.93Å; T145-S147 PolarHBondContact O-N 3Å; T145-S147 PolarHBondContact O-OG 2.93Å
146K33.4Very low37.2Very low198 Ų198121.8 Ų121.886%0.86168%0.684SS**  trans-58.288.1163.1-85.3178.4177.4173.10105.7E144 T148E144-K146 PolarHBondContact O-N 3.04Å; K146-T148 PolarHBondContact O-N 2.74Å
147S32.2Very low37.5Very low99 Ų99119.2 Ų119.269%0.69267%0.674SS**  trans-69.681.7165.8-63.30000104.4T145 S149T145-S147 PolarHBondContact O-N 3Å; T145-S147 PolarHBondContact O-OG 2.93Å; S147-S149 PolarHBondContact O-N 2.87Å
148T37.6Very low38Very low122 Ų122116.1 Ų116.175%0.74866%0.663SS**  trans-61.893156.948.30000104.2K146 S150K146-T148 PolarHBondContact O-N 2.74Å; T148-S150 PolarHBondContact O-N 2.84Å
149S38.7Very low38Very low103 Ų103118.4 Ų118.472%0.7266%0.662SS**  trans-6483.7165.5520000105.9S147 V151S147-S149 PolarHBondContact O-N 2.87Å; S149-V151 PolarHBondContact O-N 3.1Å
150S39.2Very low38.2Very low105 Ų105116.6 Ų116.673%0.73465%0.65SS**  trans-61.597.9158.656.90000104T148 D152T148-S150 PolarHBondContact O-N 2.84Å; S150-D152 PolarHBondContact O-N 3.04Å
151V40.2Very low38.3Very low96 Ų96112.4 Ų112.458%0.58264%0.64SS**  trans-58.9102.6166.8179.20000104.1S149 V153 L156S149-V151 PolarHBondContact O-N 3.1Å; V151-V153 PolarHBondContact O-N 2.95Å; V151-L156 HydrophobicContact CG1-CB 4.3Å
152D42.9Very low38.6Very low94 Ų94116.1 Ų116.150%0.50364%0.643SS.*  trans-58.7106.9171.6173.319.4000106S150 G154 H155 L156S150-D152 PolarHBondContact O-N 3.04Å; D152-G154 PolarHBondContact O-N 3.41Å; D152-G154 VanDerWaalsContact O-N 3.11Å; D152-G154 PolarHBondContact OD1-N 2.88Å; D152-H155 HydrophobicContact CB-CB 4.31Å; D152-H155 PolarHBondContact O-N 2.88Å; D152-H155 IonicContact OD2-CG 3.9Å; D152-H155 IonicContact OD2-ND1 3.08Å; D152-H155 PolarHBondContact OD2-ND1 2.79Å; D152-H155 VanDerWaalsContact OD2-ND1 3.08Å; D152-L156 PolarHBondContact O-N 3.22Å; D152-L156 VanDerWaalsContact O-N 3.1Å
153V39.7Very low39Very low100 Ų100118.3 Ų118.361%0.60665%0.645SS**Hα-helixtrans-57.7-26.6-179.6-174.40000109.4V151 L156 V157V151-V153 PolarHBondContact O-N 2.95Å; V153-L156 PolarHBondContact O-N 3.38Å; V153-V157 HydrophobicContact CG1-CG2 4.39Å; V153-V157 VanDerWaalsContact O-CG2 3.29Å; V153-V157 WeakPolarHBondContact O-CG2 3.2Å; V153-V157 PolarHBondContact O-N 3.08Å
154G40.6Very low39.3Very low38 Ų38117.3 Ų117.339%0.39264%0.638SS.*Hα-helixtrans-58.8-50.7170.700000112.5D152 L156 V157 S158D152-G154 PolarHBondContact O-N 3.41Å; D152-G154 VanDerWaalsContact O-N 3.11Å; D152-G154 PolarHBondContact OD1-N 2.88Å; G154-L156 PolarHBondContact O-N 3.1Å; G154-V157 PolarHBondContact O-N 2.71Å; G154-S158 PolarHBondContact O-N 3.02Å; G154-S158 PolarHBondContact O-OG 2.71Å
155H45.8Very low39.6Very low143 Ų143114.2 Ų114.266%0.66263%0.633SS**Hα-helixtrans-63.9-37.3175.8-93.265.3000113.1D152 S158 R159D152-H155 HydrophobicContact CB-CB 4.31Å; D152-H155 PolarHBondContact O-N 2.88Å; D152-H155 IonicContact OD2-CG 3.9Å; D152-H155 IonicContact OD2-ND1 3.08Å; D152-H155 PolarHBondContact OD2-ND1 2.79Å; D152-H155 VanDerWaalsContact OD2-ND1 3.08Å; H155-S158 PolarHBondContact O-N 2.76Å; H155-R159 WeakPolarHBondContact O-CB 3.44Å; H155-R159 PolarHBondContact O-N 3.2Å
156L40.8Very low39.8Very low91 Ų91116.7 Ų116.748%0.47664%0.642SS.*Hα-helixtrans-64.2-42.4177.4-171.669.8000111.4V151 D152 V153 G154 R159 M160V151-L156 HydrophobicContact CG1-CB 4.3Å; D152-L156 PolarHBondContact O-N 3.22Å; D152-L156 VanDerWaalsContact O-N 3.1Å; V153-L156 PolarHBondContact O-N 3.38Å; G154-L156 PolarHBondContact O-N 3.1Å; L156-R159 PolarHBondContact O-N 3.38Å; L156-M160 WeakPolarHBondContact O-CG 3.48Å; L156-M160 PolarHBondContact O-N 3.24Å
157V42.2Very low40.1Very low82 Ų82115 Ų11550%0.49764%0.642SS.*Hα-helixtrans-67.6-44176.8174.40000111V153 G154 R159 M160 C161V153-V157 HydrophobicContact CG1-CG2 4.39Å; V153-V157 VanDerWaalsContact O-CG2 3.29Å; V153-V157 WeakPolarHBondContact O-CG2 3.2Å; V153-V157 PolarHBondContact O-N 3.08Å; G154-V157 PolarHBondContact O-N 2.71Å; V157-R159 VanDerWaalsContact C-N 3.31Å; V157-R159 PolarHBondContact O-N 3.04Å; V157-M160 PolarHBondContact O-N 3.1Å; V157-M160 VanDerWaalsContact O-N 3.14Å; V157-C161 PolarHBondContact O-N 2.82Å; V157-C161 PolarHBondContact O-SG 3.49Å
158S45.9Very low40.3Very low68 Ų68115.7 Ų115.748%0.47664%0.644SS.*Hα-helixtrans-58.6-42.3175.2-64.80000112G154 H155 M160 C161 E162G154-S158 PolarHBondContact O-N 3.02Å; G154-S158 PolarHBondContact O-OG 2.71Å; H155-S158 PolarHBondContact O-N 2.76Å; S158-M160 PolarHBondContact O-N 2.96Å; S158-C161 PolarHBondContact O-N 2.96Å; S158-E162 PolarHBondContact O-N 2.87Å; S158-E162 VanDerWaalsContact O-N 3.1Å
159R36.3Very low40.2Very low182 Ų182115.6 Ų115.669%0.68765%0.648SS**Hα-helixtrans-64-40.3174.7-118.7-176.6-160.7-176.55.9112.9H155 L156 V157 C161 E162 M163H155-R159 WeakPolarHBondContact O-CB 3.44Å; H155-R159 PolarHBondContact O-N 3.2Å; L156-R159 PolarHBondContact O-N 3.38Å; V157-R159 VanDerWaalsContact C-N 3.31Å; V157-R159 PolarHBondContact O-N 3.04Å; R159-C161 PolarHBondContact O-N 2.88Å; R159-E162 PolarHBondContact O-N 3.19Å; R159-M163 WeakPolarHBondContact O-CG 3.42Å; R159-M163 PolarHBondContact O-N 3.26Å; R159-M163 VanDerWaalsContact O-N 3.16Å
160M37.4Very low39.8Very low106 Ų106116.3 Ų116.352%0.52265%0.653SS.*Hα-helixtrans-63.2-32.2175.9-79.7-175.253.500112.2L156 V157 S158 M163 F164L156-M160 WeakPolarHBondContact O-CG 3.48Å; L156-M160 PolarHBondContact O-N 3.24Å; V157-M160 PolarHBondContact O-N 3.1Å; V157-M160 VanDerWaalsContact O-N 3.14Å; S158-M160 PolarHBondContact O-N 2.96Å; M160-M163 HydrophobicContact CB-CE 4.49Å; M160-M163 HydrophobicContact CG-CE 4.01Å; M160-F164 WeakPolarHBondContact O-CD2 3.34Å
161C37.1Very low39.4Very low90 Ų90119.6 Ų119.661%0.60866%0.657SS**Hα-helixtrans-72.6-34.6174.4-67.50000112.7V157 S158 R159 M163V157-C161 PolarHBondContact O-N 2.82Å; V157-C161 PolarHBondContact O-SG 3.49Å; S158-C161 PolarHBondContact O-N 2.96Å; R159-C161 PolarHBondContact O-N 2.88Å; C161-M163 VanDerWaalsContact C-N 3.33Å; C161-M163 PolarHBondContact O-N 3.07Å
162E44.3Very low39.1Very low160 Ų160121.1 Ų121.175%0.74867%0.668SS**Hα-helixtrans-73.7-20176.5-73.3177.2176.500113.8S158 R159 F164S158-E162 PolarHBondContact O-N 2.87Å; S158-E162 VanDerWaalsContact O-N 3.1Å; R159-E162 PolarHBondContact O-N 3.19Å; E162-F164 PolarHBondContact O-N 2.98Å
163M42.1Very low38.5Very low133 Ų133123.4 Ų123.466%0.65569%0.686SS**THydrogen-bonded Turntrans-76.21.8178.4-75.4-168.9-61.800114.8R159 M160 C161 P165R159-M163 WeakPolarHBondContact O-CG 3.42Å; R159-M163 PolarHBondContact O-N 3.26Å; R159-M163 VanDerWaalsContact O-N 3.16Å; M160-M163 HydrophobicContact CB-CE 4.49Å; M160-M163 HydrophobicContact CG-CE 4.01Å; C161-M163 VanDerWaalsContact C-N 3.33Å; C161-M163 PolarHBondContact O-N 3.07Å; M163-P165 VanDerWaalsContact C-CD 3.46Å; M163-P165 WeakPolarHBondContact O-CD 3.25Å
164F40.1Very low37.9Very low171 Ų171122.1 Ų122.175%0.7569%0.693SS**SBendtrans-105.485169.9-70.3-81.8000109.8M160 E162 D166M160-F164 WeakPolarHBondContact O-CD2 3.34Å; E162-F164 PolarHBondContact O-N 2.98Å; F164-D166 PolarHBondContact O-N 3.25Å
165P40.1Very low37.6Very low104 Ų104128.5 Ų128.568%0.67572%0.716SS**  trans-64.3132.3173.926.7-32.2000109.3M163 L167M163-P165 VanDerWaalsContact C-CD 3.46Å; M163-P165 WeakPolarHBondContact O-CD 3.25Å; P165-L167 PolarHBondContact O-N 3.45Å
166D38.9Very low36.8Very low166 Ų166130.2 Ų130.289%0.88872%0.724SS**  trans-46.699.4173-71.3-47.5000110.8F164F164-D166 PolarHBondContact O-N 3.25Å
167L40.3Very low36.3Very low163 Ų163134.8 Ų134.885%0.85374%0.743SS**  trans-67.4131.1175.1-83.1156.1000109P165 S169P165-L167 PolarHBondContact O-N 3.45Å; L167-S169 PolarHBondContact O-N 3.13Å
168P36.2Very low35.6Very low113 Ų113141.7 Ų141.773%0.73476%0.76SS**  trans-66.2135.1-175.425.4-32000110.9S170P168-S170 PolarHBondContact O-N 2.86Å
169S36Very low35Very low119 Ų119147.2 Ų147.283%0.83278%0.775SS**  trans-55.599.1177.855.60000110.9L167 Q171L167-S169 PolarHBondContact O-N 3.13Å; S169-Q171 PolarHBondContact O-N 2.86Å
170S30.7Very low34.7Very low118 Ų118147.4 Ų147.483%0.82578%0.784SS**  trans-76.4113.3171.845.50000109P168P168-S170 PolarHBondContact O-N 2.86Å
171Q29.9Very low34.5Very low175 Ų175151.2 Ų151.282%0.81880%0.798SS**  trans-67.1131-178.9-138.5173.61000110.1S169 T173S169-Q171 PolarHBondContact O-N 2.86Å; Q171-T173 PolarHBondContact O-N 2.71Å
172P33.2Very low34.2Very low127 Ų127152.5 Ų152.583%0.82580%0.803SS**  trans-76.8109.5177.328.4-30.4000110.2G174P172-G174 PolarHBondContact O-N 2.79Å
173T32.1Very low33.7Very low142 Ų142153.7 Ų153.787%0.87181%0.806SS**  trans-75.1110172.321.50000111.2Q171Q171-T173 PolarHBondContact O-N 2.71Å
174G26.3Very low33.2Very low73 Ų73156.6 Ų156.675%0.75382%0.815SS**  trans56.7105.3136.600000119.8P172P172-G174 PolarHBondContact O-N 2.79Å
175I34Very low32.9Very low173 Ų173156.5 Ų156.589%0.88782%0.817SS**  trans-134.8126147.6-51.6178.1000109.5
176H28.9Very low32.4Very low178 Ų178157.7 Ų157.782%0.82482%0.822SS**  trans-48.5133.9-172.2-88-90.6000118.5
177E29.9Very low32Very low187 Ų187158.5 Ų158.587%0.87483%0.826SS**  trans-65.3130.2153.3-69.1177.6137.600111.2
178R28.4Very low31.6Very low228 Ų228155.8 Ų155.886%0.8682%0.821SS**  trans-164.7115157.9-111.4175.3-170.1-166.93.4111.3
179K33.9Very low31.2Very low183 Ų183159.2 Ų159.280%0.79683%0.827SS**  trans137.494.6139-75.4176.9179.6-179.70112.7
180Q30.1Very low30.9Very low186 Ų186159.4 Ų159.487%0.86983%0.828SS**  trans-63.8129.8157.4-77.3170.9-19.900109.8
181F32.4Very low30.8Very low186 Ų186163 Ų16382%0.81683%0.832SS**  trans-106.7120.1160.3-88.2-86.6000108.5
182V31.4Very low31.1Very low117 Ų117160.8 Ų160.871%0.70984%0.835SS**  trans-91.8107.7175.8175.30000107.2
183F33.1Very low30.9Very low186 Ų186160.6 Ų160.682%0.81683%0.828SS**  trans-101.4112.6170.1-127.7-95.6000108.5
184K31.4Very low31Very low194 Ų194161.8 Ų161.884%0.84382%0.821SS**  trans-92.6118.3169.3-81179.1173.9179.30107
185E34.2Very low31.5Very low168 Ų168166.4 Ų166.479%0.78583%0.828SS**  trans-128125.9168.3-156.1162.7-15800109.6
186T28.9Very low31.3Very low129 Ų129166.9 Ų166.979%0.79183%0.826SS**  trans-84.5116.6-168.329.30000111.6
187L30.5Very low31.6Very low183 Ų183168.8 Ų168.896%0.95883%0.826SS**  trans-55.6125.2169-80.8139.7000112.2
188S32Very low31.8Very low107 Ų107166.6 Ų166.675%0.74882%0.816SS**  trans-121.9116170.315.50000110.8
189Q28.6Very low31.9Very low185 Ų185161.4 Ų161.486%0.86481%0.805SS**  trans32.5122.1140.3-66.9172.3-9.300119.9
190S30.1Very low32Very low123 Ų123160.4 Ų160.486%0.8680%0.803SS**  169.8138.898.250.20000112
191Q27.6Very low32Very low194 Ų194159.5 Ų159.591%0.90780%0.799SS**  trans-73.3140.7177.9-68.3157.6-6200111.2
192S35.5Very low31.8Very low127 Ų127157.5 Ų157.589%0.88879%0.792SS**  trans-141.4133.9146.261.30000109.2
193D30.6Very low31.8Very low124 Ų124161.6 Ų161.666%0.66380%0.796SS**  trans-116.3133.5-159.8-15213.3000107
194K33.3Very low31.7Very low167 Ų167162.4 Ų162.473%0.72680%0.799SS**  trans63.1119.7152.8-63.7162.2-174.21400119.6
195D37.1Very low31.9Very low169 Ų169158.9 Ų158.990%0.90480%0.799SS**  -151.3122.5119.9-104.4-30000111.4
196H30.2Very low31.8Very low183 Ų183157.6 Ų157.685%0.84780%0.803SS**  trans-98.5143.3174.2-93.5-25.9000108.5
197R34.2Very low31.9Very low218 Ų218160.3 Ų160.382%0.82381%0.806SS**  trans176.9122.8142.6-99.6173.7-178.8-145.80.4111.8
198Q33.4Very low32.1Very low141 Ų141159.9 Ų159.966%0.65980%0.804SS**  94147.2119.4-73.4-177.1-66.600112.8
199D32.3Very low31.9Very low119 Ų119159.2 Ų159.264%0.63680%0.799SS**  cis-170.6170.2-10.1-97.4-27.2000105.9
200H35.2Very low32.1Very low162 Ų162158.7 Ų158.775%0.7580%0.796SS**  trans86.7108.8170-67.4-62.8000118.2
201E29.4Very low32Very low167 Ų167164.2 Ų164.278%0.7880%0.798SS**  60.6129.969.9-65.7-167.6148.900111.9
202Q30Very low32.2Very low144 Ų144160.9 Ų160.967%0.67380%0.797SS**  cis-175.5165.738.6-163.9175.54.300110.3
203Y30.6Very low32.1Very low204 Ų204160 Ų16080%0.879%0.791SS**  trans114.1123.3155.8-74.3-83.2000121
204K30.1Very low32Very low202 Ų202158 Ų15888%0.87880%0.8SS**  trans-83.8145.6178-84173.9167.51760111.5
205S36.9Very low32.1Very low121 Ų121157.8 Ų157.885%0.84681%0.806SS**  trans-118.5135.3164.411.20000110.6
206V31.8Very low31.8Very low141 Ų141155.5 Ų155.586%0.85580%0.803SS**  trans-93.4141.7-173.8171.30000110.5
207E31Very low31.8Very low185 Ų185154.1 Ų154.186%0.86480%0.802SS**  trans-71.8135.5-178.3-60.6172152.200113
208L35.4Very low31.5Very low174 Ų174148.2 Ų148.291%0.91180%0.799SS**  trans-128.6111.2160.3-85167.4000110.2
209S27.5Very low31.1Very low93 Ų93149.7 Ų149.765%0.6581%0.806SS**  trans-58.6139.8164.7172.80000111.2
210H32Very low30.8Very low174 Ų174152.7 Ų152.781%0.80682%0.818SS**  178.9121.1126.7-88.8-57.4000113.6
211R28.9Very low30.4Very low239 Ų239152 Ų15290%0.90282%0.818SS**  trans48.4110.1146.3-85.9179.6168.2170.6-3.7121.2
212S31.4Very low30.3Very low124 Ų124148.5 Ų148.587%0.86782%0.818SS**  trans-62.6126.5157.843.30000113.3
213S34Very low30.1Very low109 Ų109146 Ų14676%0.76282%0.822SS**  trans-102.5113.7157.754.30000108.4L215S213-L215 PolarHBondContact O-N 2.72Å
214G27.5Very low30Very low83 Ų83141 Ų14186%0.85682%0.817SS**PPolyproline II helixtrans-67.3118.5179.600000111.9
215L34.7Very low30.1Very low162 Ų162137 Ų13785%0.84881%0.812SS**PPolyproline II helixtrans-100.8120.7162.7-68.9174.5000107.6S213S213-L215 PolarHBondContact O-N 2.72Å
216S31.2Very low29.8Very low120 Ų120140.4 Ų140.484%0.83981%0.811SS**PPolyproline II helixtrans-66129.5-178.153.10000111.5A218S216-A218 PolarHBondContact O-N 2.86Å; S216-A218 VanDerWaalsContact O-N 3.09Å
217N30Very low29.6Very low155 Ų155142.1 Ų142.183%0.82981%0.81SS**  trans-64.499.5174.4-70.5-29000111.5H219N217-H219 PolarHBondContact O-N 2.97Å
218A27.9Very low29.4Very low93 Ų93138.9 Ų138.977%0.76980%0.803SS**  trans-80.699.6160.100000108S216 M220S216-A218 PolarHBondContact O-N 2.86Å; S216-A218 VanDerWaalsContact O-N 3.09Å; A218-M220 PolarHBondContact O-N 2.96Å; A218-M220 VanDerWaalsContact O-N 3.1Å
219H25.6Very low29.3Very low172 Ų172137.3 Ų137.380%0.79680%0.795SS**  trans-74.194.7-176.8-146.565.4000109.5N217 I221N217-H219 PolarHBondContact O-N 2.97Å; H219-I221 PolarHBondContact O-N 2.83Å
220M27Very low29.5Very low182 Ų182139.7 Ų139.790%0.89780%0.799SS**  trans-75.8104.4169.8-73.3-111.2-69.400108.6A218 A222A218-M220 PolarHBondContact O-N 2.96Å; A218-M220 VanDerWaalsContact O-N 3.1Å; M220-A222 PolarHBondContact O-N 3.26Å
221I26Very low29.5Very low148 Ų148138.5 Ų138.576%0.75980%0.798SS**  trans-70.697.9170.4-61.7169.6000106.7H219 A223H219-I221 PolarHBondContact O-N 2.83Å; I221-A223 PolarHBondContact O-N 3.08Å
222A26.5Very low29.8Very low94 Ų94131.5 Ų131.578%0.77778%0.779SS**  trans-67.1100.8169.200000108.1M220 S224M220-A222 PolarHBondContact O-N 3.26Å; A222-S224 VanDerWaalsContact C-N 3.34Å; A222-S224 PolarHBondContact O-N 3.13Å
223A26.8Very low29.9Very low90 Ų90131 Ų13174%0.74477%0.773SS**  trans-62.2100.116700000107.9I221 P225I221-A223 PolarHBondContact O-N 3.08Å; A223-P225 VanDerWaalsContact O-CD 3.31Å; A223-P225 WeakPolarHBondContact O-CD 3.3Å; A223-P225 VanDerWaalsContact O-N 3.16Å
224S27.6Very low29.8Very low101 Ų101129.9 Ų129.971%0.70677%0.77SS**  trans-53.8114.5171.8167.10000108.7A222 K226A222-S224 VanDerWaalsContact C-N 3.34Å; A222-S224 PolarHBondContact O-N 3.13Å; S224-K226 PolarHBondContact O-N 2.86Å
225P32.6Very low29.9Very low118 Ų118130.6 Ų130.677%0.76676%0.757SS**  trans-64.4109.6175.4-6.820.1000107.2A223 E227A223-P225 VanDerWaalsContact O-CD 3.31Å; A223-P225 WeakPolarHBondContact O-CD 3.3Å; A223-P225 VanDerWaalsContact O-N 3.16Å; P225-E227 PolarHBondContact O-N 2.88Å
226K29.8Very low29.6Very low191 Ų191130.1 Ų130.183%0.8375%0.751SS**  trans-59.8125.7171.2-83.2179.8173.8177.50107.9S224 T228S224-K226 PolarHBondContact O-N 2.86Å; K226-T228 VanDerWaalsContact C-N 3.33Å; K226-T228 PolarHBondContact O-N 2.83Å
227E28.7Very low29.3Very low178 Ų178133.3 Ų133.383%0.83275%0.749SS**  trans-5888175.3-64.4171.9140.900110.3P225 L229P225-E227 PolarHBondContact O-N 2.88Å; E227-L229 PolarHBondContact O-N 2.88Å; E227-L229 VanDerWaalsContact O-N 3.16Å
228T26.9Very low29.2Very low117 Ų117134.2 Ų134.272%0.71875%0.746SS**  trans-8087.9154.941.70000106.5K226 I230K226-T228 VanDerWaalsContact C-N 3.33Å; K226-T228 PolarHBondContact O-N 2.83Å; T228-I230 PolarHBondContact O-N 3.05Å
229L32.8Very low29.3Very low141 Ų141135 Ų13574%0.73875%0.747SS**  trans-56.886.8156.5-92.4140.2000106.7E227 N231E227-L229 PolarHBondContact O-N 2.88Å; E227-L229 VanDerWaalsContact O-N 3.16Å; L229-N231 VanDerWaalsContact C-N 3.3Å; L229-N231 PolarHBondContact O-N 2.93Å
230I31.2Very low29.4Very low142 Ų142136.7 Ų136.773%0.72875%0.747SS**  trans-63.8102.7168.4-65170.4000104.5T228 D232T228-I230 PolarHBondContact O-N 3.05Å; I230-D232 PolarHBondContact O-N 2.98Å
231N33.4Very low29.7Very low150 Ų150134 Ų13480%0.80274%0.744SS**  trans-61.981.6164.1-72.8-41.8000106.8L229 P233L229-N231 VanDerWaalsContact C-N 3.3Å; L229-N231 PolarHBondContact O-N 2.93Å; N231-P233 WeakPolarHBondContact O-CD 3.26Å
232D34.2Very low29.9Very low91 Ų91133.3 Ų133.349%0.48775%0.746SS.*  trans-70.7112168.3-171-14.7000107.1I230 A234 V235I230-D232 PolarHBondContact O-N 2.98Å; D232-A234 PolarHBondContact O-N 2.79Å; D232-A234 VanDerWaalsContact OD1-CB 3.27Å; D232-A234 WeakPolarHBondContact OD1-CB 3.41Å; D232-A234 PolarHBondContact OD1-N 2.76Å; D232-V235 HydrophobicContact CB-CG2 4.47Å; D232-V235 PolarHBondContact O-N 3.42Å
233P34.6Very low30.2Very low115 Ų115135.6 Ų135.675%0.74775%0.745SS**THydrogen-bonded Turntrans-60.6-11.8178.824.3-32000112.9N231 V235N231-P233 WeakPolarHBondContact O-CD 3.26Å; P233-V235 PolarHBondContact O-N 3.16Å
234A31.6Very low30.4Very low84 Ų84134.9 Ų134.969%0.69475%0.747SS**THydrogen-bonded Turntrans-69.8-15.2172.500000113.7D232 Q236D232-A234 PolarHBondContact O-N 2.79Å; D232-A234 VanDerWaalsContact OD1-CB 3.27Å; D232-A234 WeakPolarHBondContact OD1-CB 3.41Å; D232-A234 PolarHBondContact OD1-N 2.76Å; A234-Q236 VanDerWaalsContact C-N 3.34Å; A234-Q236 PolarHBondContact O-N 3.44Å
235V28.4Very low30.4Very low98 Ų98134.6 Ų134.659%0.59474%0.741SS**  trans-97.660.3173.8-162.20000109.7D232 P233 K237D232-V235 HydrophobicContact CB-CG2 4.47Å; D232-V235 PolarHBondContact O-N 3.42Å; P233-V235 PolarHBondContact O-N 3.16Å; V235-K237 HydrophobicContact CG1-CG 4.18Å; V235-K237 PolarHBondContact O-N 2.77Å
236Q27.8Very low30.3Very low152 Ų152140 Ų14071%0.7175%0.746SS**  trans-6394.8157.6-92.2-176.6-3.600107.6A234 F238A234-Q236 VanDerWaalsContact C-N 3.34Å; A234-Q236 PolarHBondContact O-N 3.44Å; Q236-F238 VanDerWaalsContact C-N 3.33Å; Q236-F238 PolarHBondContact O-N 2.81Å
237K26.9Very low30.1Very low187 Ų187140 Ų14081%0.81375%0.747SS**  trans-6298.4167.7-74.1179.6179.3173.10107.2V235 S239V235-K237 HydrophobicContact CG1-CG 4.18Å; V235-K237 PolarHBondContact O-N 2.77Å; K237-S239 PolarHBondContact O-N 3.2Å
238F27.5Very low30.2Very low174 Ų174136.7 Ų136.776%0.76374%0.742SS**  trans-59.7109.2164.7-79.2-88000107.7Q236 Y240Q236-F238 VanDerWaalsContact C-N 3.33Å; Q236-F238 PolarHBondContact O-N 2.81Å; F238-Y240 PolarHBondContact O-N 3.29Å
239S29.4Very low30.2Very low111 Ų111137.2 Ų137.278%0.77675%0.745SS**  trans-64.5113.6170.522.70000107.8K237K237-S239 PolarHBondContact O-N 3.2Å
240Y27.6Very low30.1Very low206 Ų206134.1 Ų134.181%0.80875%0.747SS**  trans-55.3135.5168.6-69-88000108.8F238 T242F238-Y240 PolarHBondContact O-N 3.29Å; Y240-T242 PolarHBondContact O-N 3.12Å; Y240-T242 PolarHBondContact O-OG1 3Å
241P33.2Very low30.1Very low127 Ų127135.2 Ų135.283%0.82576%0.755SS**  trans-65.297.8178.323-30.6000110.1N243P241-N243 PolarHBondContact O-N 2.97Å
242T30.8Very low29.8Very low133 Ų133131.2 Ų131.282%0.81675%0.749SS**  trans-7856.5176.2-290000110.6Y240Y240-T242 PolarHBondContact O-N 3.12Å; Y240-T242 PolarHBondContact O-OG1 3Å
243N32.1Very low29.5Very low141 Ų141134.3 Ų134.375%0.75477%0.766SS**  trans-147.953.6173.6-83.6-35.9000111.2P241 T245P241-N243 PolarHBondContact O-N 2.97Å; N243-T245 PolarHBondContact O-N 2.78Å
244G30.7Very low29.2Very low76 Ų76141 Ų14178%0.78478%0.776SS**  trans-87.269.4149.700000108.3R246G244-R246 PolarHBondContact O-N 2.8Å
245T27.9Very low29.3Very low94 Ų94143.1 Ų143.158%0.57778%0.78SS**  trans-57.2107.9172.419.50000108.1N243 F247N243-T245 PolarHBondContact O-N 2.78Å; T245-F247 VanDerWaalsContact C-N 3.34Å; T245-F247 WeakPolarHBondContact O-CD2 3.26Å; T245-F247 PolarHBondContact O-N 2.72Å
246R30.2Very low29.6Very low233 Ų233147.9 Ų147.988%0.87979%0.793SS**  trans-62.297.8169.2-74.7-178-179.2178.80.6107.3G244 C248G244-R246 PolarHBondContact O-N 2.8Å; R246-C248 PolarHBondContact O-N 2.8Å
247F27.2Very low29.6Very low191 Ų191149.7 Ų149.784%0.83880%0.803SS**  trans-66.2102.6162.4-75.5-83000107.5T245 T249T245-F247 VanDerWaalsContact C-N 3.34Å; T245-F247 WeakPolarHBondContact O-CD2 3.26Å; T245-F247 PolarHBondContact O-N 2.72Å; F247-T249 PolarHBondContact O-N 3.13Å
248C28.9Very low30Very low107 Ų107144.8 Ų144.872%0.72380%0.798SS**  trans-66.1116.9169.8-66.90000109.2R246 G250R246-C248 PolarHBondContact O-N 2.8Å; C248-G250 PolarHBondContact O-N 3.05Å
249T28.7Very low30.1Very low128 Ų128147.7 Ų147.779%0.78580%0.804SS**  trans44.574.5140.744.40000116.8F247F247-T249 PolarHBondContact O-N 3.13Å
250G29Very low30.3Very low77 Ų77149.2 Ų149.279%0.79480%0.803SS**  trans-86113.6147.400000108.7C248 G252C248-G250 PolarHBondContact O-N 3.05Å; G250-G252 PolarHBondContact O-N 2.85Å
251N31.9Very low30.5Very low164 Ų164144.5 Ų144.588%0.87780%0.8SS**  trans-58.4128.2174-81.3-17000111
252G26.6Very low30.4Very low66 Ų66147 Ų14768%0.6880%0.798SS**  trans77.280.3150.600000116.4G250G250-G252 PolarHBondContact O-N 2.85Å
253D29.4Very low30.3Very low157 Ų157146.6 Ų146.684%0.8480%0.795SS**  trans-155.4124.4133.1-97.7-29.6000110.9V255D253-V255 VanDerWaalsContact C-N 3.33Å; D253-V255 PolarHBondContact O-N 2.63Å
254R27.3Very low30.1Very low254 Ų254148.8 Ų148.896%0.95880%0.799SS**  trans-70.483.5179.8-72.3173.8166.8180-3.8109.7
255V34.1Very low30.1Very low130 Ų130152.7 Ų152.779%0.78880%0.802SS**  trans-89.1117170.7-169.90000109D253 M257D253-V255 VanDerWaalsContact C-N 3.33Å; D253-V255 PolarHBondContact O-N 2.63Å; V255-M257 PolarHBondContact O-N 3.27Å
256K33.5Very low30.1Very low198 Ų198155.9 Ų155.986%0.86181%0.814SS**  trans-57.4129.8180-68.3174.4178.1175.90110.3A258K256-A258 PolarHBondContact O-N 2.81Å
257M29.6Very low30.1Very low189 Ų189153 Ų15393%0.93181%0.811SS**  trans-56.5101174-64.9-92.6-159.900110.8V255 R259V255-M257 PolarHBondContact O-N 3.27Å; M257-R259 PolarHBondContact O-N 2.87Å
258A33.7Very low30.3Very low84 Ų84150 Ų15069%0.69481%0.81SS**  trans-80.1113.2161.800000107.7K256 D260K256-A258 PolarHBondContact O-N 2.81Å; A258-D260 VanDerWaalsContact C-N 3.29Å; A258-D260 PolarHBondContact O-N 3.16Å
259R31.2Very low30.3Very low236 Ų236152.4 Ų152.489%0.89181%0.814SS**  trans-69.482.6174.6-78.2177.4167.1149.5-5.4109.5M257 S261M257-R259 PolarHBondContact O-N 2.87Å; R259-S261 PolarHBondContact O-N 3.23Å
260D31.9Very low30.3Very low143 Ų143155.7 Ų155.777%0.76581%0.814SS**  trans-86.688.8165.6-73.9-8.7000108.3A258 K262A258-D260 VanDerWaalsContact C-N 3.29Å; A258-D260 PolarHBondContact O-N 3.16Å; D260-K262 PolarHBondContact O-N 3.29Å
261S32.2Very low30.5Very low106 Ų106155.7 Ų155.774%0.74180%0.795SS**  trans-67.280.6171.855.80000109.8R259 T263R259-S261 PolarHBondContact O-N 3.23Å; S261-T263 VanDerWaalsContact C-N 3.32Å; S261-T263 PolarHBondContact O-N 3.41Å
262K32Very low30.5Very low179 Ų179152.7 Ų152.778%0.77879%0.785SS**  trans-73.493.7163.5-78.9-176.4177.51790107.9D260 F264D260-K262 PolarHBondContact O-N 3.29Å; K262-F264 WeakPolarHBondContact O-CD2 3.49Å; K262-F264 PolarHBondContact O-N 3.01Å; K262-F264 VanDerWaalsContact O-N 3.12Å
263T28Very low30.6Very low125 Ų125159.8 Ų159.877%0.76779%0.791SS**  trans-54.8110.4161.725.10000108.2S261 N265S261-T263 VanDerWaalsContact C-N 3.32Å; S261-T263 PolarHBondContact O-N 3.41Å; T263-N265 PolarHBondContact O-N 2.98Å
264F28Very low30.5Very low188 Ų188159.5 Ų159.583%0.82579%0.785SS**  trans-70.1112.4168.6-74-92.2000107.4K262 L266K262-F264 WeakPolarHBondContact O-CD2 3.49Å; K262-F264 PolarHBondContact O-N 3.01Å; K262-F264 VanDerWaalsContact O-N 3.12Å; F264-L266 PolarHBondContact O-N 3.41Å
265N30Very low30.4Very low158 Ų158152.8 Ų152.885%0.84577%0.772SS**  trans-64.2103.3165.3-75-21.8000106.9T263 E267T263-N265 PolarHBondContact O-N 2.98Å; N265-E267 PolarHBondContact O-N 2.83Å
266L29.3Very low29.9Very low160 Ų160151.8 Ų151.884%0.83877%0.766SS**  trans-68102169.6-72.7165.1000106.8F264F264-L266 PolarHBondContact O-N 3.41Å
267E29.2Very low29.6Very low174 Ų174149.2 Ų149.281%0.81376%0.76SS**  trans-58.6134.7168.3-115179.4168.500108.5N265 I269N265-E267 PolarHBondContact O-N 2.83Å; E267-I269 PolarHBondContact O-N 2.65Å
268P31Very low29.3Very low126 Ų126146 Ų14682%0.81875%0.751SS**  trans-60.1107.5-178.922-30.9000109.6Y270P268-Y270 PolarHBondContact O-N 2.85Å; P268-Y270 VanDerWaalsContact O-N 3.15Å
269I30.6Very low29Very low158 Ų158144.4 Ų144.481%0.8174%0.743SS**  trans-60.5118.2168.7-60.6171.7000105.9E267 D271E267-I269 PolarHBondContact O-N 2.65Å; I269-D271 PolarHBondContact O-N 3.4Å
270Y28.6Very low28.7Very low198 Ų198142.7 Ų142.778%0.77674%0.742SS**  trans-38.4107172.1-169.3-95.6000110P268 P272P268-Y270 PolarHBondContact O-N 2.85Å; P268-Y270 VanDerWaalsContact O-N 3.15Å; Y270-P272 WeakPolarHBondContact O-CD 3.44Å
271D32.7Very low28.5Very low76 Ų76141.9 Ų141.941%0.40674%0.743SS.*  trans-79.7110.4176.4-172.6-6.7000107.3I269 R273 Q274I269-D271 PolarHBondContact O-N 3.4Å; D271-R273 PolarHBondContact O-N 2.84Å; D271-R273 VanDerWaalsContact OD1-CB 3.31Å; D271-R273 WeakPolarHBondContact OD1-CB 3.18Å; D271-R273 VanDerWaalsContact OD1-CD 3.29Å; D271-R273 WeakPolarHBondContact OD1-CD 3.47Å; D271-R273 WeakPolarHBondContact OD1-CG 3.43Å; D271-R273 PolarHBondContact OD1-N 3.42Å; D271-R273 VanDerWaalsContact OD1-N 3.15Å; D271-R273 IonicContact OD1-NE 3.58Å; D271-R273 WeakPolarHBondContact OD2-CD 3.1Å; D271-Q274 PolarHBondContact O-N 3.4Å
272P32.6Very low28.2Very low102 Ų102142.7 Ų142.766%0.66274%0.743SS**THydrogen-bonded Turntrans-62.7-0.2179.925.7-33.5000113.5Y270 Q274Y270-P272 WeakPolarHBondContact O-CD 3.44Å; P272-Q274 VanDerWaalsContact C-N 3.29Å; P272-Q274 PolarHBondContact O-N 3.13Å
273R28.2Very low27.9Very low214 Ų214139.9 Ų139.981%0.80874%0.743SS**THydrogen-bonded Turntrans-75.3-8.8173.5-63.3171.9-161.5-1763.3114.5D271 V275D271-R273 PolarHBondContact O-N 2.84Å; D271-R273 VanDerWaalsContact OD1-CB 3.31Å; D271-R273 WeakPolarHBondContact OD1-CB 3.18Å; D271-R273 VanDerWaalsContact OD1-CD 3.29Å; D271-R273 WeakPolarHBondContact OD1-CD 3.47Å; D271-R273 WeakPolarHBondContact OD1-CG 3.43Å; D271-R273 PolarHBondContact OD1-N 3.42Å; D271-R273 VanDerWaalsContact OD1-N 3.15Å; D271-R273 IonicContact OD1-NE 3.58Å; D271-R273 WeakPolarHBondContact OD2-CD 3.1Å; R273-V275 PolarHBondContact O-N 2.76Å
274Q26.4Very low27.8Very low151 Ų151139.9 Ų139.971%0.70674%0.743SS**  trans-94.362.7175.9-67.3-169.45.500112.3D271 P272 V276D271-Q274 PolarHBondContact O-N 3.4Å; P272-Q274 VanDerWaalsContact C-N 3.29Å; P272-Q274 PolarHBondContact O-N 3.13Å; Q274-V276 VanDerWaalsContact C-N 3.32Å; Q274-V276 PolarHBondContact O-N 3.08Å
275V25.6Very low27.7Very low113 Ų113140.5 Ų140.569%0.68575%0.745SS**  trans-82.189.5157.4-173.80000106.5R273 I277R273-V275 PolarHBondContact O-N 2.76Å; V275-I277 VanDerWaalsContact C-N 3.33Å; V275-I277 HydrophobicContact CG1-CG1 3.87Å; V275-I277 PolarHBondContact O-N 3.33Å
276V24.7Very low27.6Very low109 Ų109139.9 Ų139.966%0.66174%0.741SS**  trans-72.392172.3-174.10000107.5Q274 T278Q274-V276 VanDerWaalsContact C-N 3.32Å; Q274-V276 PolarHBondContact O-N 3.08Å; V276-T278 VanDerWaalsContact C-N 3.3Å; V276-T278 HydrophobicContact CG1-CG2 3.94Å; V276-T278 PolarHBondContact O-N 3.22Å
277I26.1Very low27.4Very low145 Ų145136.8 Ų136.874%0.74474%0.739SS**  trans-74.591.1171.5-55177000106.6V275 G279V275-I277 VanDerWaalsContact C-N 3.33Å; V275-I277 HydrophobicContact CG1-CG1 3.87Å; V275-I277 PolarHBondContact O-N 3.33Å; I277-G279 PolarHBondContact O-N 3.21Å
278T23.8Very low27.4Very low120 Ų120135 Ų13574%0.73674%0.739SS**  trans-72.576.9169.542.80000109V276 K280V276-T278 VanDerWaalsContact C-N 3.3Å; V276-T278 HydrophobicContact CG1-CG2 3.94Å; V276-T278 PolarHBondContact O-N 3.22Å; T278-K280 VanDerWaalsContact C-N 3.33Å; T278-K280 PolarHBondContact O-N 2.85Å
279G26.1Very low27.2Very low51 Ų51133.6 Ų133.653%0.52673%0.733SS.*  trans-67.291.8168.600000109.3I277 T281I277-G279 PolarHBondContact O-N 3.21Å; G279-T281 PolarHBondContact O-N 2.82Å
280K26.3Very low27.2Very low200 Ų200133.1 Ų133.187%0.8773%0.731SS**  trans-68.272.5161.9-80.2-176.6176.8177.20108.5T278 T282T278-K280 VanDerWaalsContact C-N 3.33Å; T278-K280 PolarHBondContact O-N 2.85Å; K280-T282 PolarHBondContact O-N 2.92Å; K280-T282 VanDerWaalsContact O-N 3.16Å
281T28.1Very low27.2Very low127 Ų127130.8 Ų130.878%0.77973%0.732SS**  trans-8092.1166.4480000107.1G279G279-T281 PolarHBondContact O-N 2.82Å
282T24.1Very low27.1Very low122 Ų122137.5 Ų137.575%0.74875%0.752SS**  trans-56.2127.1163.317.90000108.1K280 V284K280-T282 PolarHBondContact O-N 2.92Å; K280-T282 VanDerWaalsContact O-N 3.16Å; T282-V284 PolarHBondContact O-N 3.13Å
283P27.1Very low26.9Very low121 Ų121137.1 Ų137.179%0.78676%0.757SS**  trans-62.9109-179.322.7-31.1000109.3K285P283-K285 PolarHBondContact O-N 3Å
284V24.9Very low27.1Very low124 Ų124131.5 Ų131.575%0.75276%0.757SS**  trans-66.6103.2173.3179.30000107.2T282 L286T282-V284 PolarHBondContact O-N 3.13Å; V284-L286 HydrophobicContact CG1-CD2 4.41Å; V284-L286 PolarHBondContact O-N 3.41Å
285K26.7Very low27.2Very low201 Ų201127.2 Ų127.287%0.87475%0.753SS**  trans-64.599168.3-85.2-178.2175.5176.60108.2P283 A287P283-K285 PolarHBondContact O-N 3Å; K285-A287 PolarHBondContact O-N 3.3Å; K285-A287 VanDerWaalsContact O-N 3.12Å
286L27.1Very low27.3Very low146 Ų146127.2 Ų127.276%0.76476%0.755SS**  trans-70.4103.1168-69.7168.2000107.9V284 T288V284-L286 HydrophobicContact CG1-CD2 4.41Å; V284-L286 PolarHBondContact O-N 3.41Å; L286-T288 PolarHBondContact O-N 2.85Å; L286-T288 VanDerWaalsContact O-N 3.1Å
287A26.1Very low27.6Very low95 Ų95129.7 Ų129.779%0.78577%0.765SS**  trans-69.5101.7168.100000108.2K285 S289K285-A287 PolarHBondContact O-N 3.3Å; K285-A287 VanDerWaalsContact O-N 3.12Å; A287-S289 PolarHBondContact O-N 2.84Å
288T28.5Very low27.9Very low135 Ų135129.9 Ų129.983%0.82877%0.767SS**  trans-69.895.5168.110.40000108.2L286 L290L286-T288 PolarHBondContact O-N 2.85Å; L286-T288 VanDerWaalsContact O-N 3.1Å; T288-L290 VanDerWaalsContact C-N 3.3Å; T288-L290 PolarHBondContact O-N 2.74Å
289S27.2Very low28.3Very low97 Ų97130.3 Ų130.368%0.67877%0.769SS**  trans-68.692.4163.248.90000108.2A287 N291A287-S289 PolarHBondContact O-N 2.84Å; S289-N291 PolarHBondContact O-N 2.87Å
290L31.1Very low28.6Very low149 Ų149133.9 Ų133.978%0.7878%0.783SS**  trans-71.884.7168.8-16486.6000107.7T288 R292T288-L290 VanDerWaalsContact C-N 3.3Å; T288-L290 PolarHBondContact O-N 2.74Å; L290-R292 PolarHBondContact O-N 2.7Å
291N28.4Very low28.7Very low149 Ų149129.4 Ų129.480%0.79778%0.777SS**  trans-6875.9166.4-78-20.2000108.6S289 A293S289-N291 PolarHBondContact O-N 2.87Å; N291-A293 VanDerWaalsContact C-N 3.32Å; N291-A293 PolarHBondContact O-N 3.14Å
292R29.5Very low28.7Very low217 Ų217129.1 Ų129.182%0.81978%0.78SS**  trans-74.594.9165.6-165.7175.8-154.8150.84.5106.4L290 A294L290-R292 PolarHBondContact O-N 2.7Å; R292-A294 PolarHBondContact O-N 3.43Å
293A29.5Very low29Very low94 Ų94126.8 Ų126.878%0.77778%0.78SS**  trans-51.9108.3167.600000108.3N291 G295N291-A293 VanDerWaalsContact C-N 3.32Å; N291-A293 PolarHBondContact O-N 3.14Å; A293-G295 VanDerWaalsContact C-N 3.3Å; A293-G295 PolarHBondContact O-N 2.93Å
294A31.8Very low29.1Very low96 Ų96129.3 Ų129.379%0.79378%0.781SS**  trans-69.891.1170.900000107.5R292R292-A294 PolarHBondContact O-N 3.43Å
295G28.4Very low29.3Very low61 Ų61130.9 Ų130.963%0.62979%0.785SS**  trans-65.8126.1163.800000109A293 D297A293-G295 VanDerWaalsContact C-N 3.3Å; A293-G295 PolarHBondContact O-N 2.93Å; G295-D297 PolarHBondContact O-N 3.11Å
296P27.7Very low29.4Very low112 Ų112129.6 Ų129.673%0.72778%0.782SS**  trans-86.490.2-175.933.5-32.2000110.5N298P296-N298 PolarHBondContact O-N 2.86Å
297D31.9Very low29.4Very low162 Ų162128.1 Ų128.187%0.86678%0.779SS**  trans-97.890.5167.4-77.3-32.4000110G295 V299G295-D297 PolarHBondContact O-N 3.11Å; D297-V299 PolarHBondContact O-N 2.89Å
298N31.2Very low29.5Very low149 Ų149133.2 Ų133.280%0.79778%0.778SS**  trans-55.5105.1162.1-77-56.3000110.6P296P296-N298 PolarHBondContact O-N 2.86Å
299V33Very low29.7Very low128 Ų128133.6 Ų133.678%0.77677%0.774SS**  trans-141.6106.4148.5-169.50000109.5D297D297-V299 PolarHBondContact O-N 2.89Å
300P31.3Very low29.8Very low126 Ų126134.8 Ų134.882%0.81877%0.772SS**  trans-85.7121.5166.831.6-25.9000109.1
301S30.1Very low29.7Very low107 Ų107132.5 Ų132.575%0.74877%0.769SS**  trans-154.6105.8155.8179.80000110.4
302S27.8Very low29.6Very low120 Ų120134.3 Ų134.384%0.83977%0.772SS**  trans-38.4129.3164.8520000113.2
303G30Very low29.7Very low73 Ų73133.3 Ų133.375%0.75378%0.777SS**  trans-173.483.9175.700000113
304H28Very low29.8Very low175 Ų175135.1 Ų135.181%0.8178%0.779SS**  trans77.1102.8153.1-124.651.3000118.8Q306H304-Q306 PolarHBondContact O-N 2.8Å
305L29.8Very low29.6Very low156 Ų156133.8 Ų133.882%0.81777%0.774SS**  trans-58109.2159.9-69.8159000109.9
306Q29.8Very low29.8Very low174 Ų174141.8 Ų141.881%0.81379%0.785SS**  trans-127.678.4155.5-124.2164.713.900108.3H304 R308H304-Q306 PolarHBondContact O-N 2.8Å; Q306-R308 VanDerWaalsContact C-N 3.34Å; Q306-R308 PolarHBondContact O-N 3.17Å
307T27.3Very low29.9Very low115 Ų115148.1 Ų148.171%0.70680%0.795SS**  trans-67.790.2164.934.80000108.7
308R27.6Very low30.1Very low202 Ų202148.2 Ų148.276%0.76279%0.79SS**  trans-117.386.8155.6-157.5178.2-175179.94.7107.6Q306 D310Q306-R308 VanDerWaalsContact C-N 3.34Å; Q306-R308 PolarHBondContact O-N 3.17Å; R308-D310 IonicContact CZ-OD2 3.85Å; R308-D310 IonicContact NE-OD1 3.75Å; R308-D310 IonicContact NE-OD2 3.36Å; R308-D310 PolarHBondContact NE-OD2 3.32Å; R308-D310 PolarHBondContact O-N 2.98Å; R308-D310 VanDerWaalsContact O-N 3.11Å
309I32.5Very low30.2Very low144 Ų144149 Ų14974%0.73879%0.789SS**  trans-77.584.3169.8-58.8166.6000104.7S311I309-S311 PolarHBondContact O-N 2.97Å
310D30.2Very low30.3Very low122 Ų122150.8 Ų150.865%0.65279%0.789SS**  trans-81.598.5161.2-73.8-26000106R308 E312R308-D310 IonicContact CZ-OD2 3.85Å; R308-D310 IonicContact NE-OD1 3.75Å; R308-D310 IonicContact NE-OD2 3.36Å; R308-D310 PolarHBondContact NE-OD2 3.32Å; R308-D310 PolarHBondContact O-N 2.98Å; R308-D310 VanDerWaalsContact O-N 3.11Å; D310-E312 PolarHBondContact O-N 3.21Å
311S27.5Very low30.1Very low101 Ų101150.9 Ų150.971%0.70678%0.782SS**  trans-71.291.5177.651.10000110.8I309I309-S311 PolarHBondContact O-N 2.97Å
312E27.6Very low30.3Very low186 Ų186152.7 Ų152.787%0.86978%0.779SS**  trans-135.665.3156.1-73.9-166.717000108.8D310D310-E312 PolarHBondContact O-N 3.21Å
313Q31.8Very low30.3Very low197 Ų197154.2 Ų154.292%0.92178%0.778SS**  trans-106.652.6170-153.1176.82200109.4
314T30.9Very low30.2Very low132 Ų132157 Ų15781%0.8177%0.774SS**  trans-102.596169.141.20000109.6
315G27.8Very low30.1Very low68 Ų68159.9 Ų159.970%0.70178%0.778SS**  trans70.177.2137.600000117.6
316R31.1Very low29.9Very low228 Ų228158.7 Ų158.786%0.8677%0.771SS**  trans-133.581.9135.3-70.6-162.4178-176.80.7109.2E318R316-E318 PolarHBondContact O-N 2.87Å
317R31.7Very low29.9Very low246 Ų246154.9 Ų154.993%0.92877%0.769SS**  trans-62.579.9151.2-83.8177.3167.9164.8-3.5106E319R317-E319 VanDerWaalsContact C-N 3.35Å; R317-E319 PolarHBondContact O-N 3.03Å; R317-E319 VanDerWaalsContact O-N 3.08Å
318E34.8Very low30Very low164 Ų164156.3 Ų156.377%0.76677%0.772SS**  trans-67.7108160.9-95.4173.9177.800106.1R316 Q320R316-E318 PolarHBondContact O-N 2.87Å; E318-Q320 VanDerWaalsContact C-N 3.35Å; E318-Q320 PolarHBondContact O-N 2.68Å
319E34.6Very low30.1Very low164 Ų164151.3 Ų151.377%0.76677%0.765SS**  trans-45.7100172.8-66.3174.3160.800108.5R317 N321R317-E319 VanDerWaalsContact C-N 3.35Å; R317-E319 PolarHBondContact O-N 3.03Å; R317-E319 VanDerWaalsContact O-N 3.08Å; E319-N321 PolarHBondContact O-N 2.77Å
320Q33.5Very low29.8Very low167 Ų167148.3 Ų148.378%0.7876%0.757SS**  trans-72.256.3166.7-140.9-179.92000108.1E318 Q322E318-Q320 VanDerWaalsContact C-N 3.35Å; E318-Q320 PolarHBondContact O-N 2.68Å; Q320-Q322 HydrophobicContact CG-CG 4.43Å; Q320-Q322 PolarHBondContact O-N 2.99Å
321N28.8Very low29.7Very low128 Ų128146.7 Ų146.768%0.68476%0.755SS**  trans-7176.1163-87.7-32.8000106.2E319 N323E319-N321 PolarHBondContact O-N 2.77Å; N321-N323 PolarHBondContact O-N 3.11Å
322Q33.7Very low29.8Very low144 Ų144150.1 Ų150.167%0.67376%0.758SS**  trans-55.8109164-71.2-176.4-0.300106.3Q320 I324Q320-Q322 HydrophobicContact CG-CG 4.43Å; Q320-Q322 PolarHBondContact O-N 2.99Å; Q322-I324 WeakPolarHBondContact O-CG1 3.31Å; Q322-I324 PolarHBondContact O-N 3.1Å
323N26.7Very low30Very low152 Ų152147.1 Ų147.181%0.81375%0.746SS**  trans-52.290.1166.3-88.2-46.3000108.5N321 R325N321-N323 PolarHBondContact O-N 3.11Å; N323-R325 PolarHBondContact O-N 2.92Å
324I28.6Very low29.7Very low133 Ų133145.8 Ų145.868%0.68273%0.734SS**  trans-68.993169.3-55.8178.7000105Q322 I326Q322-I324 WeakPolarHBondContact O-CG1 3.31Å; Q322-I324 PolarHBondContact O-N 3.1Å; I324-I326 HydrophobicContact CG2-CD1 4.42Å; I324-I326 HydrophobicContact CG2-CG1 3.69Å; I324-I326 PolarHBondContact O-N 3.08Å
325R26.5Very low29.5Very low234 Ų234147 Ų14788%0.88373%0.731SS**  trans-67.487.9168.1-72.4-175.5-178-166.50.8107.6N323 A327N323-R325 PolarHBondContact O-N 2.92Å; R325-A327 PolarHBondContact O-N 2.94Å; R325-A327 VanDerWaalsContact O-N 3.07Å
326I25.3Very low29.3Very low132 Ų132151.5 Ų151.568%0.67774%0.735SS**  trans-72.899.8169.6-55.6177000106.3I324 L328I324-I326 HydrophobicContact CG2-CD1 4.42Å; I324-I326 HydrophobicContact CG2-CG1 3.69Å; I324-I326 PolarHBondContact O-N 3.08Å; I326-L328 VanDerWaalsContact C-N 3.32Å; I326-L328 PolarHBondContact O-N 2.8Å
327A29.1Very low29Very low94 Ų94145.8 Ų145.878%0.77773%0.729SS**  trans-67.994.3168.600000108R325R325-A327 PolarHBondContact O-N 2.94Å; R325-A327 VanDerWaalsContact O-N 3.07Å
328L29.2Very low28.6Very low145 Ų145139.1 Ų139.176%0.75972%0.716SS**  trans-59.5127.8169-82.9154.4000108.4I326 S330I326-L328 VanDerWaalsContact C-N 3.32Å; I326-L328 PolarHBondContact O-N 2.8Å; L328-S330 PolarHBondContact O-N 3.07Å
329P30.9Very low28.2Very low96 Ų96136.9 Ų136.962%0.62371%0.713SS**  trans-58.7114.5175.1-20.731.5000109.4S331P329-S331 PolarHBondContact O-N 3.32Å
330S26.4Very low27.8Very low81 Ų81138 Ų13857%0.56672%0.716SS**G310 helixtrans-63.2-8-176.7580000114L328 K332 I333L328-S330 PolarHBondContact O-N 3.07Å; S330-K332 VanDerWaalsContact C-N 3.32Å; S330-K332 PolarHBondContact O-N 2.73Å; S330-I333 PolarHBondContact O-N 2.84Å
331S27.7Very low27.4Very low88 Ų88135.7 Ų135.762%0.61571%0.707SS**G310 helixtrans-66.7-29.1-178.755.80000113.5P329P329-S331 PolarHBondContact O-N 3.32Å
332K29.6Very low27.2Very low173 Ų173135.3 Ų135.375%0.75271%0.709SS**G310 helixtrans-77.7-21.5178.7-88-173.9174.7-177.20114.5S330 Y334S330-K332 VanDerWaalsContact C-N 3.32Å; S330-K332 PolarHBondContact O-N 2.73Å; K332-Y334 VanDerWaalsContact C-N 3.35Å
333I31Very low26.7Very low124 Ų124137.8 Ų137.864%0.63671%0.714SS**THydrogen-bonded Turntrans-74.5-31179.3-63.1173.1000110.6S330 E335S330-I333 PolarHBondContact O-N 2.84Å; I333-E335 VanDerWaalsContact C-N 3.34Å; I333-E335 PolarHBondContact O-N 3.33Å
334Y25.1Very low26.6Very low168 Ų168139.5 Ų139.566%0.65971%0.714SS**G310 helixtrans-75-18.5-177-86-83.5000114.6K332K332-Y334 VanDerWaalsContact C-N 3.35Å
335E26.8Very low26.4Very low158 Ų158141.5 Ų141.574%0.73872%0.721SS**G310 helixtrans-81.4-21.8-176.5-157167.5-16400113.2I333I333-E335 VanDerWaalsContact C-N 3.34Å; I333-E335 PolarHBondContact O-N 3.33Å
336M23.5Very low26.3Very low163 Ų163141.8 Ų141.880%0.80372%0.722SS**G310 helixtrans-79.6-13.5178-85.5-179.545.400114.6
337C25.2Very low26.3Very low107 Ų107140.8 Ų140.872%0.72372%0.722SS**G310 helixtrans-95-1.5-173.2-66.90000114.8
338T24Very low26.1Very low107 Ų107140.4 Ų140.466%0.65672%0.719SS**  trans-112.324-17454.40000114.8K340T338-K340 PolarHBondContact O-N 2.8Å
339T25.9Very low26Very low116 Ų116139 Ų13971%0.71272%0.716SS**  trans-6688.3160.540.60000108.2I341T339-I341 VanDerWaalsContact C-N 3.27Å; T339-I341 PolarHBondContact O-N 3.4Å
340K26.1Very low25.8Very low189 Ų189141 Ų14182%0.82272%0.722SS**  trans-55.497.8163.1-87.1-179.8174.6176.10106.3T338 V342T338-K340 PolarHBondContact O-N 2.8Å; K340-V342 VanDerWaalsContact C-N 3.25Å; K340-V342 PolarHBondContact O-N 2.78Å
341I26.3Very low25.9Very low117 Ų117143.2 Ų143.260%0.673%0.732SS**  trans-65.795.7168.6-56.4174.2000105.5T339 Y343T339-I341 VanDerWaalsContact C-N 3.27Å; T339-I341 PolarHBondContact O-N 3.4Å; I341-Y343 VanDerWaalsContact C-N 3.31Å; I341-Y343 HydrophobicContact CB-CD2 4.26Å; I341-Y343 HydrophobicContact CB-CE2 3.89Å; I341-Y343 HydrophobicContact CG2-CD1 4.41Å; I341-Y343 HydrophobicContact CG2-CD2 3.67Å; I341-Y343 HydrophobicContact CG2-CE1 4.14Å; I341-Y343 HydrophobicContact CG2-CE2 3.34Å; I341-Y343 HydrophobicContact CG2-CG 4.2Å; I341-Y343 PolarHBondContact O-N 2.78Å
342V24.6Very low26.1Very low120 Ų120145.3 Ų145.373%0.72774%0.736SS**  trans-73.992171.1-178.30000106.1K340 K344K340-V342 VanDerWaalsContact C-N 3.25Å; K340-V342 PolarHBondContact O-N 2.78Å; V342-K344 VanDerWaalsContact C-N 3.33Å; V342-K344 PolarHBondContact O-N 2.78Å
343Y23.1Very low26.1Very low196 Ų196144.4 Ų144.477%0.76974%0.74SS**  trans-66.595.6169.1-74.7-84.5000108.5I341 Q345I341-Y343 VanDerWaalsContact C-N 3.31Å; I341-Y343 HydrophobicContact CB-CD2 4.26Å; I341-Y343 HydrophobicContact CB-CE2 3.89Å; I341-Y343 HydrophobicContact CG2-CD1 4.41Å; I341-Y343 HydrophobicContact CG2-CD2 3.67Å; I341-Y343 HydrophobicContact CG2-CE1 4.14Å; I341-Y343 HydrophobicContact CG2-CE2 3.34Å; I341-Y343 HydrophobicContact CG2-CG 4.2Å; I341-Y343 PolarHBondContact O-N 2.78Å; Y343-Q345 PolarHBondContact O-N 3.15Å
344K23.7Very low26.2Very low188 Ų188143.7 Ų143.782%0.81774%0.741SS**  trans-67.9108.5160-92.7-174.4175.9179.50107.3V342 R346V342-K344 VanDerWaalsContact C-N 3.33Å; V342-K344 PolarHBondContact O-N 2.78Å; K344-R346 PolarHBondContact O-N 2.85Å
345Q25.4Very low26.6Very low175 Ų175144.4 Ų144.482%0.81875%0.748SS**  trans-58.1100.3168.9-171.31728.500108.3Y343 T347Y343-Q345 PolarHBondContact O-N 3.15Å; Q345-T347 VanDerWaalsContact C-N 3.3Å; Q345-T347 PolarHBondContact O-N 3.49Å
346R24.4Very low27Very low241 Ų241143.4 Ų143.491%0.90975%0.747SS**  trans-7291.7165.1-83.8-178.6171.4168.8-2.6106.7K344 A348K344-R346 PolarHBondContact O-N 2.85Å; R346-A348 VanDerWaalsContact C-N 3.3Å; R346-A348 PolarHBondContact O-N 3.21Å
347T25.5Very low27.3Very low110 Ų110141.7 Ų141.768%0.67575%0.749SS**  trans-62.1102.7152.9290000106.2Q345 T349Q345-T347 VanDerWaalsContact C-N 3.3Å; Q345-T347 PolarHBondContact O-N 3.49Å; T347-T349 VanDerWaalsContact C-N 3.25Å; T347-T349 PolarHBondContact O-N 2.87Å
348A23.9Very low27.8Very low86 Ų86140.2 Ų140.271%0.71173%0.732SS**  trans-63.396.116500000106.4R346 N350R346-A348 VanDerWaalsContact C-N 3.3Å; R346-A348 PolarHBondContact O-N 3.21Å; A348-N350 VanDerWaalsContact C-N 3.26Å; A348-N350 PolarHBondContact O-N 3.01Å
349T27.1Very low28.3Very low115 Ų115142.3 Ų142.371%0.70674%0.739SS**  trans-67.894.7166.7-38.50000105.7T347 T351T347-T349 VanDerWaalsContact C-N 3.25Å; T347-T349 PolarHBondContact O-N 2.87Å; T349-T351 PolarHBondContact O-N 3.28Å
350N27.2Very low28.6Very low138 Ų138142.5 Ų142.574%0.73873%0.732SS**  trans-64.594.8162.5-78-9.8000106.1A348 D352A348-N350 VanDerWaalsContact C-N 3.26Å; A348-N350 PolarHBondContact O-N 3.01Å; N350-D352 PolarHBondContact O-N 2.87Å
351T28.4Very low29Very low128 Ų128139.4 Ų139.479%0.78572%0.723SS**  trans-68.880.8156.238.40000107T349T349-T351 PolarHBondContact O-N 3.28Å
352D31.5Very low29.4Very low132 Ų132142.3 Ų142.371%0.70673%0.734SS**  trans-89.9117.3151.8-90-30.3000106.1N350 T354N350-D352 PolarHBondContact O-N 2.87Å; D352-T354 PolarHBondContact O-N 2.93Å
353D30.2Very low29.8Very low154 Ų154146 Ų14682%0.82474%0.74SS**  trans-52.499.1167.7-92.5-44.2000109.3
354T31.8Very low30.4Very low109 Ų109141 Ų14167%0.66973%0.734SS**  trans-111.676.6159.447.80000108.1D352D352-T354 PolarHBondContact O-N 2.93Å
355K33.4Very low31Very low184 Ų184137.3 Ų137.380%0.872%0.723SS**  trans-83.1115.9155.5-74.7-173.4179178.80107.4
356D35.9Very low31.4Very low136 Ų136137.5 Ų137.573%0.72772%0.716SS**SBendtrans61.6136.4162.3-80.9-40.4000120M358D356-M358 PolarHBondContact OD1-N 3.17Å
357P30.2Very low32.1Very low128 Ų128132.5 Ų132.583%0.83171%0.712SS**  cis-94.4110.59.233.3-26.1000111.3D359P357-D359 PolarHBondContact O-N 2.77Å
358M35.9Very low32.6Very low75 Ų75136.4 Ų136.437%0.36971%0.714SS.*  trans-90.588.8176.9-80-94.4-85.700108.6D356 Q360D356-M358 PolarHBondContact OD1-N 3.17Å; M358-Q360 HydrophobicContact CB-CB 4.24Å; M358-Q360 HydrophobicContact CE-CB 3.78Å; M358-Q360 HydrophobicContact CE-CG 3.75Å; M358-Q360 PolarHBondContact O-N 2.86Å; M358-Q360 HydrophobicContact SD-CB 3.74Å; M358-Q360 HydrophobicContact SD-CG 3.31Å; M358-Q360 WeakPolarHBondContact SD-CG 3.29Å; M358-Q360 PolarHBondContact SD-NE2 3.03Å
359D34.2Very low33.4Very low151 Ų151141 Ų14181%0.80772%0.721SS**THydrogen-bonded Turntrans-6116.8149.9-88.5-28.5000112.5P357 I361 E362P357-D359 PolarHBondContact O-N 2.77Å; D359-I361 PolarHBondContact O-N 2.82Å; D359-I361 VanDerWaalsContact O-N 3.12Å; D359-E362 PolarHBondContact O-N 2.99Å
360Q31Very low33.9Very low121 Ų121143.8 Ų143.857%0.56573%0.726SS**THydrogen-bonded Turntrans-69.2-1.4173-83.7-163.723.500114.1M358 E362 S364M358-Q360 HydrophobicContact CB-CB 4.24Å; M358-Q360 HydrophobicContact CE-CB 3.78Å; M358-Q360 HydrophobicContact CE-CG 3.75Å; M358-Q360 PolarHBondContact O-N 2.86Å; M358-Q360 HydrophobicContact SD-CB 3.74Å; M358-Q360 HydrophobicContact SD-CG 3.31Å; M358-Q360 WeakPolarHBondContact SD-CG 3.29Å; M358-Q360 PolarHBondContact SD-NE2 3.03Å; Q360-E362 PolarHBondContact O-N 3.45Å; Q360-S364 PolarHBondContact O-OG 2.84Å
361I35.2Very low34.4Very low123 Ų123141.1 Ų141.163%0.63172%0.724SS**Hα-helixtrans-65.5-26.6169.7-63.9178.6000110.6D359 K363 L365D359-I361 PolarHBondContact O-N 2.82Å; D359-I361 VanDerWaalsContact O-N 3.12Å; I361-K363 PolarHBondContact O-N 3.35Å; I361-L365 HydrophobicContact CG2-CD1 4Å
362E35.7Very low34.8Very low178 Ų178142.2 Ų142.283%0.83273%0.725SS**Hα-helixtrans-78.9-16.3-176.5-154.6168.7-157.400114.3D359 Q360D359-E362 PolarHBondContact O-N 2.99Å; Q360-E362 PolarHBondContact O-N 3.45Å
363K32.4Very low35.1Very low198 Ų198141.7 Ų141.786%0.86172%0.722SS**Hα-helixtrans-109.1-12.6178.9-92.6-177.6177.3175.60116.1I361I361-K363 PolarHBondContact O-N 3.35Å
364S36.4Very low35.5Very low91 Ų91141.3 Ų141.364%0.63672%0.718SS**Hα-helixtrans-91.4-14.7177.446.30000112.8Q360 R366Q360-S364 PolarHBondContact O-OG 2.84Å; S364-R366 PolarHBondContact O-N 2.99Å; S364-R366 VanDerWaalsContact O-N 3.16Å
365L35.1Very low35.8Very low111 Ų111141.4 Ų141.458%0.58172%0.721SS**SBendtrans-83.796172.3-100.6125.8000111I361I361-L365 HydrophobicContact CG2-CD1 4Å
366R33.1Very low36Very low178 Ų178139.7 Ų139.767%0.67272%0.72SS**  trans92.969152.5-55.2-168.5-178.7-166.13.8116S364 R368S364-R366 PolarHBondContact O-N 2.99Å; S364-R366 VanDerWaalsContact O-N 3.16Å; R366-R368 HydrophobicContact CB-CB 3.87Å; R366-R368 HydrophobicContact CG-CB 4.29Å; R366-R368 PolarHBondContact O-N 2.95Å
367V39.7Very low36.3Very low137 Ų137137.5 Ų137.583%0.8371%0.713SS**  -50.554.4125.6-172.60000110.9
368R36Very low36.7Very low191 Ų191139.7 Ų139.772%0.72171%0.712SS**  trans-125.29.8178.2-124.2-173.7-171.8-175.42113.2R366R366-R368 HydrophobicContact CB-CB 3.87Å; R366-R368 HydrophobicContact CG-CB 4.29Å; R366-R368 PolarHBondContact O-N 2.95Å
369E39.9Very low36.6Very low183 Ų183144 Ų14486%0.85574%0.736SS**SBendtrans-1147.1177.2-118.5176.8-168.900114.3
370Q37.9Very low36.9Very low173 Ų173141.8 Ų141.881%0.80873%0.728SS**SBendtrans-136.612.2177.3-84.9-172.2-23.600115.5
371A39Very low36.8Very low83 Ų83138.5 Ų138.569%0.68673%0.727SS**SBendtrans-90.2-10.9172.200000113.5
372D36.2Very low36.7Very low151 Ų151140.1 Ų140.181%0.80774%0.735SS**SBendtrans-93.8-6.9178.9-71.4-24.4000113.5
373D37.1Very low36.6Very low121 Ų121142.1 Ų142.165%0.64774%0.735SS**SBendtrans-10198.5175.2-74.1-25.6000110.6
374I40.4Very low36.7Very low146 Ų146139 Ų13975%0.74973%0.733SS**  trans99.896.2157.5-46.5151.2000114.3
375P36.9Very low36.5Very low111 Ų111138.5 Ų138.572%0.72173%0.729SS**  -123.8109.410833.6-26.7000109.7P377P375-P377 VanDerWaalsContact C-CD 3.48Å
376L38Very low36.3Very low148 Ų148141.8 Ų141.878%0.77575%0.746SS**  trans-117.584.6161.5-83.6136.6000108.6E378L376-E378 VanDerWaalsContact C-N 3.28Å
377P41.4Very low36.2Very low90 Ų90139.6 Ų139.658%0.58475%0.747SS**  trans-88.49.1163.820.2-3.4000112.3P375 V380P375-P377 VanDerWaalsContact C-CD 3.48Å; P377-V380 WeakPolarHBondContact O-CB 3.29Å; P377-V380 WeakPolarHBondContact O-CG2 3.45Å; P377-V380 PolarHBondContact O-N 3.18Å
378E39.4Very low35.9Very low174 Ų174138.5 Ų138.581%0.81375%0.746SS**THydrogen-bonded Turntrans-91.8-2.3-175-72.2-169.9163.400115.7L376L376-E378 VanDerWaalsContact C-N 3.28Å
379D34.6Very low35.5Very low165 Ų165138.1 Ų138.188%0.88275%0.752SS**THydrogen-bonded Turntrans-91.522.3158.2-93.6-13.4000112.4G381D379-G381 PolarHBondContact O-N 3.46Å
380V38.8Very low35.3Very low105 Ų105134.4 Ų134.464%0.63675%0.753SS**  trans-69.561146-1710000107.6P377 I382P377-V380 WeakPolarHBondContact O-CB 3.29Å; P377-V380 WeakPolarHBondContact O-CG2 3.45Å; P377-V380 PolarHBondContact O-N 3.18Å; V380-I382 HydrophobicContact CG1-CG1 4.07Å; V380-I382 PolarHBondContact O-N 2.94Å
381G30.2Very low34.9Very low52 Ų52131 Ų13154%0.53675%0.748SS.*  trans-6191.8153.600000106.2D379 R383D379-G381 PolarHBondContact O-N 3.46Å; G381-R383 PolarHBondContact O-N 3.37Å
382I32.1Very low34.7Very low157 Ų157132.5 Ų132.581%0.80575%0.745SS**  trans-55.678.7163-58.4165.9000107V380V380-I382 HydrophobicContact CG1-CG1 4.07Å; V380-I382 PolarHBondContact O-N 2.94Å
383R35Very low34.5Very low220 Ų220132.2 Ų132.283%0.8374%0.742SS**  trans-154.380.2179.1-69.7-165.3167.9-171.3-3.7108.4G381G381-R383 PolarHBondContact O-N 3.37Å
384T32.7Very low34.2Very low132 Ų132131.6 Ų131.681%0.8175%0.746SS**SBend179.9103123.733.40000108.7
385S32.1Very low33.8Very low81 Ų81128 Ų12857%0.56673%0.734SS**  trans41.198.9131.352.10000117D387S385-D387 VanDerWaalsContact CB-OD2 3.3Å; S385-D387 WeakPolarHBondContact CB-OD2 3.45Å; S385-D387 PolarHBondContact O-N 3.46Å
386I32.1Very low33.6Very low180 Ų180127.8 Ų127.892%0.92373%0.731SS**  trans-65.676.2149.4-58.4164.2000106.4
387D30.3Very low33.3Very low131 Ų131128.8 Ų128.870%0.70173%0.734SS**  trans-102102.7173.2-76.5-19000108.7S385S385-D387 VanDerWaalsContact CB-OD2 3.3Å; S385-D387 WeakPolarHBondContact CB-OD2 3.45Å; S385-D387 PolarHBondContact O-N 3.46Å
388S33.4Very low32.8Very low115 Ų115135.7 Ų135.780%0.80475%0.748SS**SBend81.927.2127.3-98.40000123.9
389E29.3Very low32.5Very low182 Ų182135.3 Ų135.385%0.8575%0.746SS**SBendtrans-130.4-5.4167.9-69.7-166175.700117.7S391E389-S391 PolarHBondContact O-N 3.01Å
390A33.7Very low32.4Very low105 Ų105136.6 Ų136.687%0.86874%0.744SS**THydrogen-bonded Turntrans-78.3-0.2176.300000114.3
391S30.9Very low32.1Very low103 Ų103136.3 Ų136.372%0.7275%0.753SS**THydrogen-bonded Turntrans-90.7-0.7-168.9-159.30000116.6E389E389-S391 PolarHBondContact O-N 3.01Å
392D35.1Very low32.5Very low114 Ų114138.7 Ų138.761%0.6176%0.759SS**SBendtrans-120.4-13.8-174.1-91.9-20.9000117.5S394 S395 V396D392-S394 PolarHBondContact O-N 2.92Å; D392-S395 PolarHBondContact O-N 3.15Å; D392-V396 WeakPolarHBondContact O-CG2 3.17Å
393I31.7Very low32.6Very low145 Ų145138.4 Ų138.474%0.74476%0.759SS**Hα-helixtrans-76.5-24.7-175.3-57.3177.5000112.4
394S31.2Very low32.6Very low107 Ų107133.9 Ų133.975%0.74876%0.755SS**Hα-helixtrans-80.2-15.8176.479.20000114D392D392-S394 PolarHBondContact O-N 2.92Å
395S31Very low32.7Very low70 Ų70136 Ų13649%0.4976%0.756SS.*Hα-helixtrans-89.6-32.1-177.4-1790000113.2D392 M397D392-S395 PolarHBondContact O-N 3.15Å; S395-M397 VanDerWaalsContact C-N 3.29Å; S395-M397 PolarHBondContact O-N 2.95Å
396V32.6Very low32.8Very low108 Ų108139.9 Ų139.966%0.65577%0.771SS**Hα-helixtrans-72.1-21-175.2178.50000112.8D392 R398D392-V396 WeakPolarHBondContact O-CG2 3.17Å; V396-R398 VanDerWaalsContact C-N 3.28Å; V396-R398 PolarHBondContact O-N 2.94Å
397M31Very low32.8Very low169 Ų169134.1 Ų134.183%0.83376%0.756SS**THydrogen-bonded Turntrans-78.71-176.6-72.4-82.7-94.800115.1S395S395-M397 VanDerWaalsContact C-N 3.29Å; S395-M397 PolarHBondContact O-N 2.95Å
398R32.2Very low33.1Very low234 Ų234135 Ų13588%0.88376%0.759SS**THydrogen-bonded Turntrans-112.63.7177.1-65-167.2-172.4-149.43.2115.1V396V396-R398 VanDerWaalsContact C-N 3.28Å; V396-R398 PolarHBondContact O-N 2.94Å
399Q31.9Very low33.2Very low166 Ų166134.2 Ų134.278%0.77676%0.76SS**SBendtrans-100.4106.6176.1-70.3-165.86.100111.9
400K33.7Very low33.6Very low193 Ų193130.2 Ų130.284%0.83974%0.743SS**  trans5676.4158.4-73.4173172.7172.30116P402K400-P402 WeakPolarHBondContact O-CD 2.84Å
401A31.8Very low33.8Very low99 Ų99131.9 Ų131.982%0.81874%0.738SS**  trans-72.8109.8138.500000106.8
402P38.2Very low34.2Very low102 Ų102133.9 Ų133.966%0.66273%0.734SS**  trans-55.1143.1169.822-30.5000109K400 V404K400-P402 WeakPolarHBondContact O-CD 2.84Å; P402-V404 HydrophobicContact CB-CG2 4.46Å; P402-V404 HydrophobicContact CG-CG2 4.2Å; P402-V404 WeakPolarHBondContact O-CG2 3.27Å; P402-V404 PolarHBondContact O-N 3.25Å
403N34.4Very low34.4Very low151 Ų151135.6 Ų135.681%0.80774%0.738SS**  trans-69.375.3-177.4-154.117.7000109.3Q405N403-Q405 PolarHBondContact O-N 3.33Å
404V36.5Very low34.8Very low125 Ų125133.9 Ų133.976%0.75873%0.731SS**THydrogen-bonded Turntrans-84.462.7178.2-148.60000108.7P402P402-V404 HydrophobicContact CB-CG2 4.46Å; P402-V404 HydrophobicContact CG-CG2 4.2Å; P402-V404 WeakPolarHBondContact O-CG2 3.27Å; P402-V404 PolarHBondContact O-N 3.25Å
405Q32.8Very low35.4Very low175 Ų175134.9 Ų134.982%0.81873%0.728SS**THydrogen-bonded Turntrans-108.6-0.7167.1-80.1-152.6-27.100113.2N403 G407N403-Q405 PolarHBondContact O-N 3.33Å; Q405-G407 PolarHBondContact O-N 2.86Å
406D34.6Very low35.6Very low164 Ų164137.5 Ų137.588%0.87773%0.734SS**SBendtrans-99.382.5174-69.7-22.4000110
407G31.7Very low35.8Very low59 Ų59141 Ų14161%0.60874%0.736SS**SBendtrans137.290.1162.700000113.6Q405Q405-G407 PolarHBondContact O-N 2.86Å
408L38.1Very low36.1Very low149 Ų149142.3 Ų142.378%0.7873%0.733SS**  trans174.763.1133.5-90147.3000107I410L408-I410 HydrophobicContact CB-CG1 4.11Å; L408-I410 HydrophobicContact CD2-CD1 3.87Å; L408-I410 HydrophobicContact CD2-CG1 3.42Å; L408-I410 VanDerWaalsContact CD2-CG1 3.42Å; L408-I410 HydrophobicContact CG-CG1 4.38Å; L408-I410 PolarHBondContact O-N 3.17Å; L408-I410 VanDerWaalsContact O-N 3.09Å
409A35.6Very low36.2Very low99 Ų99134.6 Ų134.682%0.81872%0.72SS**  trans-65.292.3142.400000104.7D411A409-D411 PolarHBondContact O-N 2.92Å
410I37.6Very low36.4Very low98 Ų98132.7 Ų132.750%0.50372%0.715SS.*  trans-76.4112.9169.3-62.1171.1000104.3L408 F412L408-I410 HydrophobicContact CB-CG1 4.11Å; L408-I410 HydrophobicContact CD2-CD1 3.87Å; L408-I410 HydrophobicContact CD2-CG1 3.42Å; L408-I410 VanDerWaalsContact CD2-CG1 3.42Å; L408-I410 HydrophobicContact CG-CG1 4.38Å; L408-I410 PolarHBondContact O-N 3.17Å; L408-I410 VanDerWaalsContact O-N 3.09Å; I410-F412 HydrophobicContact CB-CE2 4.19Å; I410-F412 HydrophobicContact CB-CZ 4.48Å; I410-F412 HydrophobicContact CG2-CE2 4.38Å; I410-F412 HydrophobicContact CG2-CZ 4.32Å; I410-F412 WeakPolarHBondContact O-CD2 3.48Å; I410-F412 PolarHBondContact O-N 2.86Å; I410-F412 VanDerWaalsContact O-N 3.09Å
411D38.2Very low36.6Very low140 Ų140129.4 Ų129.475%0.74971%0.706SS**  trans-55.7107.6169.8-75.9-37.7000108.4A409 E413A409-D411 PolarHBondContact O-N 2.92Å; D411-E413 PolarHBondContact O-N 3.5Å
412F37.6Very low37Very low144 Ų144131.5 Ų131.563%0.63270%0.703SS**  trans-89.419.4173.5-76.2-77000112.2I410 D414I410-F412 HydrophobicContact CB-CE2 4.19Å; I410-F412 HydrophobicContact CB-CZ 4.48Å; I410-F412 HydrophobicContact CG2-CE2 4.38Å; I410-F412 HydrophobicContact CG2-CZ 4.32Å; I410-F412 WeakPolarHBondContact O-CD2 3.48Å; I410-F412 PolarHBondContact O-N 2.86Å; I410-F412 VanDerWaalsContact O-N 3.09Å; F412-D414 VanDerWaalsContact C-N 3.31Å; F412-D414 PolarHBondContact O-N 3.14Å
413E39.5Very low36.8Very low150 Ų150131.7 Ų131.770%0.70171%0.707SS**THydrogen-bonded Turntrans-80.1-10.1-178.2-127.774.6-152.700113.5D411D411-E413 PolarHBondContact O-N 3.5Å
414D41.3Very low36.7Very low110 Ų110132.6 Ų132.659%0.58871%0.706SS**THydrogen-bonded Turntrans-89.7-12.6-177.7-91.1-31.9000115F412 R417F412-D414 VanDerWaalsContact C-N 3.31Å; F412-D414 PolarHBondContact O-N 3.14Å; D414-R417 IonicContact OD1-CZ 3.82Å; D414-R417 IonicContact OD1-NH2 2.76Å; D414-R417 PolarHBondContact OD1-NH2 3.44Å
415D43.6Very low36.5Very low128 Ų128133.8 Ų133.868%0.68471%0.708SS**SBendtrans-91.5-9.9-175.3-82.5-14.5000115R417D415-R417 VanDerWaalsContact C-N 3.28Å; D415-R417 PolarHBondContact O-N 2.86Å
416I35.5Very low36.5Very low124 Ų124129.9 Ų129.964%0.63670%0.699SS**G310 helixtrans-77.4-16.1-179.4-51.9178.2000111.9Y418I416-Y418 PolarHBondContact O-N 3.02Å
417R36.3Very low36.4Very low181 Ų181130.4 Ų130.468%0.68370%0.7SS**G310 helixtrans-74.3-5.3178.3-70.6-173.3-72.6178.2-5.9114.5D414 D415D414-R417 IonicContact OD1-CZ 3.82Å; D414-R417 IonicContact OD1-NH2 2.76Å; D414-R417 PolarHBondContact OD1-NH2 3.44Å; D415-R417 VanDerWaalsContact C-N 3.28Å; D415-R417 PolarHBondContact O-N 2.86Å
418Y36.2Very low36.3Very low197 Ų197132.3 Ų132.377%0.77370%0.7SS**G310 helixtrans-89.60.1178.4-124.6-82.5000114.3I416I416-Y418 PolarHBondContact O-N 3.02Å
419A35.1Very low36Very low73 Ų73132.1 Ų132.160%0.60370%0.7SS**SBendtrans-90-17.3-179.100000114.5D421A419-D421 VanDerWaalsContact C-N 3.35Å; A419-D421 PolarHBondContact O-N 3.39Å
420D35.3Very low35.7Very low126 Ų126136.7 Ų136.767%0.67470%0.704SS**G310 helixtrans-79.2-14.3-174.8-72.7-25.2000113.9L422 S423D420-L422 PolarHBondContact O-N 3.2Å; D420-S423 PolarHBondContact O-OG 3.37Å
421D38Very low35.3Very low124 Ų124140.4 Ų140.466%0.66372%0.724SS**G310 helixtrans-86.7-2.3-174.1-77.5-8.3000115.2A419A419-D421 VanDerWaalsContact C-N 3.35Å; A419-D421 PolarHBondContact O-N 3.39Å
422L40.3Very low34.8Very low142 Ų142138.8 Ų138.874%0.74372%0.723SS**G310 helixtrans-91.34.3176.7-69.2177.9000114.1D420 E424D420-L422 PolarHBondContact O-N 3.2Å; L422-E424 PolarHBondContact O-N 3.16Å
423S34.9Very low34.3Very low107 Ų107139.5 Ų139.575%0.74873%0.733SS**G310 helixtrans-75.9-3.5174.761.30000114.3D420D420-S423 PolarHBondContact O-OG 3.37Å
424E32.5Very low33.7Very low169 Ų169138.8 Ų138.879%0.7974%0.739SS**G310 helixtrans-103.20.6-174.6-70.5-164.4163.300116.7L422 S426L422-E424 PolarHBondContact O-N 3.16Å; E424-S426 VanDerWaalsContact C-N 3.25Å; E424-S426 PolarHBondContact O-N 3.24Å
425L31.4Very low33.1Very low151 Ų151139 Ų13979%0.79175%0.749SS**  trans-84.775.5174-74.2169.3000111.3I427L425-I427 PolarHBondContact O-N 3.1Å
426S32.9Very low32.3Very low92 Ų92139.2 Ų139.264%0.64376%0.756SS**  trans-27.6100.3159.6164.80000113.3E424 V428E424-S426 VanDerWaalsContact C-N 3.25Å; E424-S426 PolarHBondContact O-N 3.24Å; S426-V428 PolarHBondContact O-N 3.22Å; S426-V428 VanDerWaalsContact O-N 3.08Å
427I32.6Very low32Very low175 Ų175140.2 Ų140.290%0.89777%0.768SS**  trans-78.878.6162.7-57.2170.9000106.4L425L425-I427 PolarHBondContact O-N 3.1Å
428V30.6Very low31.5Very low100 Ų100137.1 Ų137.161%0.60677%0.774SS**  trans-136.4123.4173.8178.30000108.9S426S426-V428 PolarHBondContact O-N 3.22Å; S426-V428 VanDerWaalsContact O-N 3.08Å
429D31.5Very low31.1Very low145 Ų145137.1 Ų137.178%0.77578%0.781SS**  trans70.694.2160.7-63.1-18000119.4
430E29.4Very low30.7Very low194 Ų194138.8 Ų138.891%0.90779%0.788SS**  -162.665.7128.5-109172.9-166.700111.5C432E430-C432 PolarHBondContact O-N 2.84Å
431L29.4Very low30.3Very low176 Ų176140.9 Ų140.992%0.92179%0.793SS**  trans-86.178.9154.2-92.1161.7000107.9
432C26.3Very low29.8Very low107 Ų107142.9 Ų142.972%0.72380%0.799SS**  trans-152.691.9170-90.60000110.2E430E430-C432 PolarHBondContact O-N 2.84Å
433N28.2Very low29Very low158 Ų158142.1 Ų142.185%0.84580%0.8SS**  trans179.983.8132.4-85-26.5000109.6S435N433-S435 PolarHBondContact O-N 3.16Å
434T26.3Very low28.7Very low135 Ų135145.2 Ų145.283%0.82881%0.807SS**  trans-56.6119.7151.944.70000109.4
435S29.3Very low28.3Very low115 Ų115142.2 Ų142.280%0.80480%0.8SS**  trans-128.7102.5159.4-74.80000108.5N433N433-S435 PolarHBondContact O-N 3.16Å
436T25.9Very low28Very low133 Ų133143 Ų14382%0.81681%0.805SS**  trans-61.2122.2169.642.40000111.5
437T28.8Very low27.7Very low144 Ų144146.3 Ų146.388%0.88381%0.811SS**  trans-138.6101.1146.5420000108.3
438S26.2Very low27.4Very low116 Ų116144.4 Ų144.481%0.81181%0.807SS**  trans-70.5128.1165.558.20000109.7
439E28.7Very low27.4Very low198 Ų198145.1 Ų145.193%0.92582%0.817SS**  trans-131116.5151.5-106.2179.1174.800108.2
440S26.1Very low27.2Very low107 Ų107146.4 Ų146.475%0.74882%0.824SS**  trans-79130179.248.50000110.9
441H26.1Very low27.1Very low170 Ų170139.7 Ų139.779%0.78781%0.807SS**  trans-157.2130.2151.6-121.4-89.1000111.8
442E28.4Very low26.9Very low166 Ų166142.4 Ų142.478%0.77681%0.806SS**  trans67.493.9158-78.8169.2144.400121.3
443T22.7Very low26.8Very low127 Ų127145.9 Ų145.978%0.77981%0.812SS**  trans-55.5118.5142.8430000112.4
444L29.4Very low26.7Very low171 Ų171145.5 Ų145.590%0.89581%0.809SS**  trans-128.2105.3145.4-87172.6000109
445V24.2Very low26.7Very low106 Ų106144.1 Ų144.164%0.64280%0.803SS**  trans-67.8123.5171-179.90000107.9E447V445-E447 HydrophobicContact CG1-CB 4.48Å; V445-E447 HydrophobicContact CG1-CG 3.83Å
446N24.7Very low26.5Very low168 Ų168147.4 Ų147.490%0.89881%0.81SS**  trans-125.487.5153.7-112.8-6.4000107.1
447E26.5Very low26.5Very low161 Ų161147 Ų14775%0.75281%0.807SS**  trans-69.9123.1156.8-71.1179.9165.200107.9V445V445-E447 HydrophobicContact CG1-CB 4.48Å; V445-E447 HydrophobicContact CG1-CG 3.83Å
448T27Very low26.3Very low135 Ų135144.5 Ų144.583%0.82880%0.802SS**  trans161.196.1137.535.50000110.9
449S29.7Very low26.2Very low116 Ų116147.9 Ų147.981%0.81181%0.807SS**  -178.9126.6126.944.70000109.6G451S449-G451 PolarHBondContact O-N 3.07Å
450N26.9Very low25.9Very low171 Ų171146.8 Ų146.891%0.91481%0.806SS**  trans-71.655.8176.4-72.2-29.3000111.6
451G27.9Very low25.9Very low54 Ų54150.9 Ų150.956%0.55781%0.814SS**  trans-82.1118.8165.400000108.1S449 E453S449-G451 PolarHBondContact O-N 3.07Å; G451-E453 PolarHBondContact O-N 3.26Å
452Y25.6Very low25.9Very low232 Ų232151.6 Ų151.691%0.9182%0.817SS**  trans-64.569.4165.6-74.5-98.1000109.3L454Y452-L454 VanDerWaalsContact C-N 3.29Å; Y452-L454 PolarHBondContact O-N 3.01Å; Y452-L454 VanDerWaalsContact O-N 3.11Å
453E24Very low25.6Very low180 Ų180148.8 Ų148.884%0.84182%0.816SS**  trans-79.690164.3-72.6-169.6169.800106.4G451G451-E453 PolarHBondContact O-N 3.26Å
454L25.5Very low25.8Very low151 Ų151148.3 Ų148.379%0.79182%0.815SS**  trans-45.1125.5160.5-90.8139.6000107.9Y452 L456Y452-L454 VanDerWaalsContact C-N 3.29Å; Y452-L454 PolarHBondContact O-N 3.01Å; Y452-L454 VanDerWaalsContact O-N 3.11Å; L454-L456 PolarHBondContact O-N 3.06Å
455P27.7Very low25.6Very low106 Ų106151.4 Ų151.469%0.68882%0.815SS**  trans-55.7113.4173.8-19.930.1000108V457P455-V457 HydrophobicContact CB-CB 4.19Å; P455-V457 HydrophobicContact CB-CG2 3.85Å; P455-V457 PolarHBondContact O-N 2.93Å
456L25.2Very low25.7Very low183 Ų183151 Ų15196%0.95882%0.822SS**  trans-67.961.8161.2-88.2156.8000108.1L454L454-L456 PolarHBondContact O-N 3.06Å
457V25.7Very low25.7Very low124 Ų124148.5 Ų148.575%0.75281%0.813SS**  trans-127.365.8177.4-173.20000106.7P455P455-V457 HydrophobicContact CB-CB 4.19Å; P455-V457 HydrophobicContact CB-CG2 3.85Å; P455-V457 PolarHBondContact O-N 2.93Å
458A25Very low25.6Very low93 Ų93149.1 Ų149.177%0.76982%0.816SS**SBendtrans-16436.1171.500000115.2
459M22.5Very low25.4Very low187 Ų187147.6 Ų147.692%0.92181%0.806SS**SBendtrans-145.714.7171-80.6-155.968.500116.1
460L24.3Very low25Very low175 Ų175149.8 Ų149.892%0.91681%0.806SS**SBendtrans-95.6-0.1177.7-104.1150.6000114.7
461E25.9Very low24.8Very low192 Ų192152.2 Ų152.290%0.89780%0.802SS**SBendtrans-975-172.6-80.1-156.8156.100117.1
462Q25Very low24.6Very low186 Ų186160.2 Ų160.287%0.86982%0.816SS**  trans-12612.3-178.5-73.7-167.5-0.900116.9P464Q462-P464 VanDerWaalsContact O-CD 3.25Å; Q462-P464 WeakPolarHBondContact O-CD 3.27Å
463S22Very low24.5Very low106 Ų106154.2 Ų154.274%0.74180%0.803SS**SBendtrans-85.5111.3161.2-64.60000107.6R465S463-R465 PolarHBondContact O-N 3.25Å; S463-R465 VanDerWaalsContact O-N 3.13Å
464P27.5Very low24.5Very low118 Ų118153.5 Ų153.577%0.76680%0.8SS**  trans-50.5128173.319.3-29.6000107.6Q462 A466Q462-P464 VanDerWaalsContact O-CD 3.25Å; Q462-P464 WeakPolarHBondContact O-CD 3.27Å; P464-A466 PolarHBondContact O-N 3.31Å
465R25Very low24.4Very low236 Ų236154.5 Ų154.589%0.89180%0.798SS**  trans-41.8113.2174.1-103.7178.5172.3173-1.4106.4S463 V467S463-R465 PolarHBondContact O-N 3.25Å; S463-R465 VanDerWaalsContact O-N 3.13Å; R465-V467 VanDerWaalsContact C-N 3.27Å; R465-V467 WeakPolarHBondContact O-CG2 3.43Å; R465-V467 PolarHBondContact O-N 3.49Å
466A27.3Very low24.2Very low96 Ų96154.4 Ų154.479%0.79380%0.795SS**  trans-51.8103.117400000105.6P464 Q468P464-A466 PolarHBondContact O-N 3.31Å; A466-Q468 PolarHBondContact O-N 2.95Å
467V23Very low24.1Very low117 Ų117157.4 Ų157.471%0.70979%0.794SS**  trans-68.898.6-178-172.40000102.8R465 T469R465-V467 VanDerWaalsContact C-N 3.27Å; R465-V467 WeakPolarHBondContact O-CG2 3.43Å; R465-V467 PolarHBondContact O-N 3.49Å; V467-T469 HydrophobicContact CB-CG2 4.35Å; V467-T469 HydrophobicContact CG1-CG2 3.69Å; V467-T469 PolarHBondContact O-N 3.18Å
468Q25.5Very low24.2Very low173 Ų173157.5 Ų157.581%0.80879%0.79SS**  trans-63.280.9168-101.9-175.1-11.700106.1A466 M470A466-Q468 PolarHBondContact O-N 2.95Å; Q468-M470 PolarHBondContact O-N 2.83Å
469T22.5Very low24.2Very low103 Ų103158.8 Ų158.863%0.63279%0.789SS**  trans-74.680.3166.256.80000106V467 R471V467-T469 HydrophobicContact CB-CG2 4.35Å; V467-T469 HydrophobicContact CG1-CG2 3.69Å; V467-T469 PolarHBondContact O-N 3.18Å; T469-R471 PolarHBondContact O-N 3.42Å
470M21.8Very low24.5Very low163 Ų163156.5 Ų156.580%0.80379%0.785SS**  trans-66.281.8158.5-82.9-157-69.400107Q468 R472Q468-M470 PolarHBondContact O-N 2.83Å; M470-R472 PolarHBondContact O-N 3.24Å
471R22.4Very low24.6Very low222 Ų222158.8 Ų158.884%0.83878%0.782SS**  trans-68.491.4162.1-81.3-174.5179.1166.81106.4T469 V473T469-R471 PolarHBondContact O-N 3.42Å; R471-V473 VanDerWaalsContact C-N 3.3Å; R471-V473 PolarHBondContact O-N 3.09Å
472R22.7Very low24.6Very low221 Ų221154.7 Ų154.783%0.83477%0.774SS**  trans-6097.5168.1-128.9178.2176.3179.7-0.7106.2M470 Q474M470-R472 PolarHBondContact O-N 3.24Å; R472-Q474 PolarHBondContact O-N 3.35Å
473V23.9Very low24.8Very low106 Ų106150 Ų15064%0.64277%0.767SS**  trans-68.991.2169.2-1760000105.8R471 F475R471-V473 VanDerWaalsContact C-N 3.3Å; R471-V473 PolarHBondContact O-N 3.09Å; V473-F475 HydrophobicContact CG1-CE1 4.44Å; V473-F475 HydrophobicContact CG1-CE2 4.15Å; V473-F475 HydrophobicContact CG1-CZ 4.1Å; V473-F475 PolarHBondContact O-N 3.21Å; V473-F475 VanDerWaalsContact O-N 3.13Å
474Q23.6Very low25.1Very low165 Ų165151.7 Ų151.777%0.77177%0.768SS**  trans-69.7103.5168.5-105.2176.1-13.100106.7R472 T476R472-Q474 PolarHBondContact O-N 3.35Å; Q474-T476 PolarHBondContact O-N 3.04Å; Q474-T476 VanDerWaalsContact O-N 3.08Å
475F24.8Very low25.2Very low173 Ų173154.3 Ų154.376%0.75978%0.775SS**  trans-65.7106.2160.8-64.5-84.5000106.2V473 R477V473-F475 HydrophobicContact CG1-CE1 4.44Å; V473-F475 HydrophobicContact CG1-CE2 4.15Å; V473-F475 HydrophobicContact CG1-CZ 4.1Å; V473-F475 PolarHBondContact O-N 3.21Å; V473-F475 VanDerWaalsContact O-N 3.13Å; F475-R477 PolarHBondContact O-N 3.12Å
476T22.4Very low25.5Very low103 Ų103149.4 Ų149.463%0.63277%0.766SS**  trans-56.9128.2166.841.70000106.9Q474 D478Q474-T476 PolarHBondContact O-N 3.04Å; Q474-T476 VanDerWaalsContact O-N 3.08Å; T476-D478 WeakPolarHBondContact CB-OD1 3.43Å; T476-D478 PolarHBondContact O-N 3.36Å; T476-D478 PolarHBondContact OG1-OD1 2.88Å
477R24.3Very low25.7Very low247 Ų247148.3 Ų148.393%0.93276%0.764SS**  trans-65.475.3161-83.6179.4169.7163.2-3.7105.7F475 T479F475-R477 PolarHBondContact O-N 3.12Å; R477-T479 PolarHBondContact O-N 3.36Å
478D27.6Very low26Very low126 Ų126150.8 Ų150.867%0.67477%0.774SS**  trans-62.8104.1167.7-73.3-1.9000104.3T476 V480T476-D478 WeakPolarHBondContact CB-OD1 3.43Å; T476-D478 PolarHBondContact O-N 3.36Å; T476-D478 PolarHBondContact OG1-OD1 2.88Å; D478-V480 PolarHBondContact O-N 3Å
479T24.4Very low26Very low120 Ų120147.4 Ų147.474%0.73677%0.769SS**  trans-21108.6173.541.90000110.1R477 R481R477-T479 PolarHBondContact O-N 3.36Å; T479-R481 PolarHBondContact O-N 3.04Å
480V29Very low26.2Very low139 Ų139148.6 Ų148.684%0.84278%0.782SS**  trans-55.992.4154.5-178.10000103.5D478 S482D478-V480 PolarHBondContact O-N 3Å; V480-S482 VanDerWaalsContact C-N 3.27Å; V480-S482 PolarHBondContact O-N 3.01Å
481R25.2Very low26.4Very low223 Ų223143.5 Ų143.584%0.84277%0.77SS**  trans-53.3110.3162.3-91.3-176.8164.4149.3-3.1102.6T479 A483T479-R481 PolarHBondContact O-N 3.04Å; R481-A483 PolarHBondContact O-N 2.81Å
482S26.4Very low26.6Very low105 Ų105137.5 Ų137.573%0.73476%0.763SS**  trans-41.799164.341.30000106.1V480 D484V480-S482 VanDerWaalsContact C-N 3.27Å; V480-S482 PolarHBondContact O-N 3.01Å; S482-D484 PolarHBondContact O-N 3.05Å
483A30.4Very low27Very low88 Ų88135.3 Ų135.373%0.72777%0.767SS**  trans-59.2122.8168.500000104.2R481 L485R481-A483 PolarHBondContact O-N 2.81Å; A483-L485 PolarHBondContact O-N 3.39Å; A483-L485 VanDerWaalsContact O-N 3.16Å
484D26.9Very low27.2Very low141 Ų141137 Ų13775%0.75477%0.772SS**  trans-42.8124.7-178.3-82.6-48.7000109.5S482 D486S482-D484 PolarHBondContact O-N 3.05Å; D484-D486 PolarHBondContact O-N 3.03Å
485L30.7Very low27.3Very low174 Ų174132.5 Ų132.591%0.91177%0.77SS**  trans-70.653171.8-70.8163.3000108.9A483 G487A483-L485 PolarHBondContact O-N 3.39Å; A483-L485 VanDerWaalsContact O-N 3.16Å; L485-G487 PolarHBondContact O-N 3.03Å
486D30.4Very low27.2Very low132 Ų132129 Ų12971%0.70677%0.767SS**  trans-7985.4167.7-80.8-16000106.8D484 N488D484-D486 PolarHBondContact O-N 3.03Å; D486-N488 PolarHBondContact O-N 3.03Å
487G31.7Very low27.4Very low74 Ų74131.8 Ų131.876%0.76378%0.777SS**THydrogen-bonded Turntrans-64.330.7-172.200000116.6L485L485-G487 PolarHBondContact O-N 3.03Å
488N29.5Very low27.5Very low169 Ų169126.2 Ų126.290%0.90477%0.77SS**THydrogen-bonded Turntrans-128.95.5178.5-84.1-3.5000114.8D486D486-N488 PolarHBondContact O-N 3.03Å
489S25.4Very low27.7Very low101 Ų101129.8 Ų129.871%0.70678%0.78SS**  trans-100.2116.817180.80000110.6G491S489-G491 PolarHBondContact O-N 3.24Å
490S27.5Very low27.8Very low129 Ų129126.7 Ų126.790%0.90277%0.771SS**  trans-66.865.6159.155.90000108.4S492S490-S492 PolarHBondContact O-N 3.32Å; S490-S492 VanDerWaalsContact O-N 3.13Å
491G26Very low27.8Very low55 Ų55125.6 Ų125.657%0.56777%0.77SS**  trans-70.4105.3176.600000108.2S489 L493S489-G491 PolarHBondContact O-N 3.24Å; G491-L493 PolarHBondContact O-N 3.1Å
492S27Very low28.1Very low97 Ų97121.1 Ų121.168%0.67876%0.762SS**  trans-45.9127.8169.7-175.20000109.7S490 D494S490-S492 PolarHBondContact O-N 3.32Å; S490-S492 VanDerWaalsContact O-N 3.13Å; S492-D494 PolarHBondContact O-N 3.03Å
493L29.6Very low28.3Very low175 Ų175120.1 Ų120.192%0.91675%0.752SS**  trans-69.351.6172-76.6159.9000110.6G491 G495G491-L493 PolarHBondContact O-N 3.1Å; L493-G495 PolarHBondContact O-N 3.48Å
494D28.2Very low28.4Very low141 Ų141123 Ų12375%0.75476%0.761SS**  trans-7982.4161.2-92.2-33.1000107S492 S496S492-D494 PolarHBondContact O-N 3.03Å; D494-S496 PolarHBondContact O-N 2.95Å
495G25.9Very low28.7Very low70 Ų70121.2 Ų121.272%0.72276%0.76SS**  trans-61.677.1163.300000109L493 L497L493-G495 PolarHBondContact O-N 3.48Å; G495-L497 PolarHBondContact O-N 3.44Å
496S23.6Very low28.8Very low101 Ų101116.5 Ų116.571%0.70674%0.735SS**  trans-60.890.4162.2178.50000106D494 V498D494-S496 PolarHBondContact O-N 2.95Å; S496-V498 PolarHBondContact O-N 3.2Å
497L26.7Very low28.8Very low161 Ų161115 Ų11584%0.84373%0.733SS**  trans-54.2101.6164-73.3167.1000105.1G495 K499G495-L497 PolarHBondContact O-N 3.44Å; L497-K499 VanDerWaalsContact C-N 3.34Å; L497-K499 PolarHBondContact O-N 2.9Å
498V25.4Very low28.7Very low129 Ų129117.2 Ų117.278%0.78273%0.728SS**  trans-50.3108.4170.6179.80000104.5S496 G500S496-V498 PolarHBondContact O-N 3.2Å; V498-G500 PolarHBondContact O-N 2.99Å
499K32.2Very low28.7Very low201 Ų201113.2 Ų113.287%0.87471%0.706SS**  trans-6089.8169.7-83.8179.6175.3174.70105L497 S501L497-K499 VanDerWaalsContact C-N 3.34Å; L497-K499 PolarHBondContact O-N 2.9Å; K499-S501 PolarHBondContact O-N 2.96Å
500G26.9Very low28.7Very low55 Ų55118.8 Ų118.857%0.56771%0.711SS**  trans-50119.8170.300000106.1V498 I502V498-G500 PolarHBondContact O-N 2.99Å; G500-I502 PolarHBondContact O-N 2.86Å
501S28.1Very low28.6Very low116 Ų116121.1 Ų121.181%0.81171%0.708SS**  trans-55.7102.6175.846.50000107.5K499K499-S501 PolarHBondContact O-N 2.96Å
502I31.3Very low28.7Very low130 Ų130121.8 Ų121.867%0.66771%0.708SS**  trans-61.5124.4178.2-59169.6000106.1G500 T504G500-I502 PolarHBondContact O-N 2.86Å; I502-T504 PolarHBondContact O-N 2.92Å
503P30.8Very low28.6Very low83 Ų83124.7 Ų124.754%0.53971%0.709SS.*  trans-56.4116.1175.820.1-29000108.4S505P503-S505 PolarHBondContact O-N 2.92Å
504T33.2Very low28.5Very low148 Ų148123 Ų12391%0.90870%0.699SS**THydrogen-bonded Turntrans-69.42.4-177.443.60000113.3I502I502-T504 PolarHBondContact O-N 2.92Å
505S32.1Very low28.3Very low105 Ų105121.7 Ų121.773%0.73470%0.7SS**THydrogen-bonded Turntrans-90.90.8-16852.50000115.2P503P503-S505 PolarHBondContact O-N 2.92Å
506D33Very low28.2Very low74 Ų74123.9 Ų123.940%0.39670%0.699SS.*  trans-136.5104.8177.7-155.7-26.2000113.3N508 L509D506-N508 PolarHBondContact O-N 3.16Å; D506-N508 WeakPolarHBondContact OD1-CB 3.42Å; D506-N508 PolarHBondContact OD1-N 2.78Å; D506-N508 VanDerWaalsContact OD1-N 3.08Å; D506-L509 HydrophobicContact CB-CD1 4.22Å; D506-L509 HydrophobicContact CB-CG 4.42Å; D506-L509 PolarHBondContact O-N 2.87Å
507P30.7Very low28.4Very low101 Ų101127.4 Ų127.466%0.65671%0.705SS**G310 helixtrans-64.8-20177.724.7-30.7000113.2L509 R510P507-L509 VanDerWaalsContact C-N 3.26Å; P507-L509 PolarHBondContact O-N 2.99Å; P507-R510 PolarHBondContact O-N 2.95Å
508N30Very low28.3Very low121 Ų121124.2 Ų124.265%0.64770%0.702SS**G310 helixtrans-69.7-25.1177.4-69.6-29.6000112.2D506 R510 Q511D506-N508 PolarHBondContact O-N 3.16Å; D506-N508 WeakPolarHBondContact OD1-CB 3.42Å; D506-N508 PolarHBondContact OD1-N 2.78Å; D506-N508 VanDerWaalsContact OD1-N 3.08Å; N508-R510 VanDerWaalsContact C-N 3.3Å; N508-R510 PolarHBondContact O-N 2.86Å; N508-Q511 PolarHBondContact O-N 3.26Å
509L28.8Very low28.3Very low85 Ų85125.8 Ų125.845%0.44571%0.705SS.*G310 helixtrans-74.1-18.5174.6-73.6172.6000113.4D506 P507 Q511 A512D506-L509 HydrophobicContact CB-CD1 4.22Å; D506-L509 HydrophobicContact CB-CG 4.42Å; D506-L509 PolarHBondContact O-N 2.87Å; P507-L509 VanDerWaalsContact C-N 3.26Å; P507-L509 PolarHBondContact O-N 2.99Å; L509-Q511 PolarHBondContact O-N 2.91Å; L509-A512 PolarHBondContact O-N 3.42Å
510R25.4Very low28.1Very low218 Ų218120.4 Ų120.482%0.82369%0.69SS**G310 helixtrans-64.9-24.9174.4-81.9-171169.7-153.3-1.4112.6P507 N508P507-R510 PolarHBondContact O-N 2.95Å; N508-R510 VanDerWaalsContact C-N 3.3Å; N508-R510 PolarHBondContact O-N 2.86Å
511Q26.9Very low28.1Very low177 Ų177121.8 Ų121.883%0.82770%0.696SS**G310 helixtrans-82-15.6177.1-82.9-176.3-12.500113.9N508 L509N508-Q511 PolarHBondContact O-N 3.26Å; L509-Q511 PolarHBondContact O-N 2.91Å
512A26.8Very low28.1Very low70 Ų70125.8 Ų125.858%0.57970%0.695SS**SBendtrans-89.5-5.3-174.200000115.1L509L509-A512 PolarHBondContact O-N 3.42Å
513F25.8Very low27.8Very low157 Ų157128.6 Ų128.669%0.68970%0.703SS**  trans-128.634-162.7-104.3-83.9000117
514I27.2Very low27.5Very low140 Ų140130.1 Ų130.172%0.71871%0.711SS**SBendtrans-103-0.2174.1-61.5178.7000113.4
515C23.5Very low27.1Very low113 Ų113127.6 Ų127.676%0.76471%0.705SS**  trans-104.541.8177.5-70.30000114Q517C515-Q517 PolarHBondContact O-N 2.85Å; C515-Q517 VanDerWaalsContact O-N 3.13Å
516T23.6Very low26.7Very low116 Ų116127.4 Ų127.471%0.71270%0.699SS**  trans-82.175.8152.952.10000107.5A518T516-A518 PolarHBondContact O-N 3.19Å
517Q28Very low26.2Very low175 Ų175135.4 Ų135.482%0.81872%0.724SS**  trans-54.3129161.1-77.7-177.1-8.400107.1C515 L519C515-Q517 PolarHBondContact O-N 2.85Å; C515-Q517 VanDerWaalsContact O-N 3.13Å; Q517-L519 PolarHBondContact O-N 3Å
518A24.3Very low26Very low95 Ų95138.6 Ų138.679%0.78573%0.73SS**  trans-45.3116.7168.500000107.8T516T516-A518 PolarHBondContact O-N 3.19Å
519L25Very low25.7Very low162 Ų162140.2 Ų140.285%0.84874%0.738SS**  trans-49.1130.5169.5-84155.8000106.6Q517 A521Q517-L519 PolarHBondContact O-N 3Å; L519-A521 PolarHBondContact O-N 2.91Å
520P29.5Very low25.6Very low87 Ų87145.5 Ų145.557%0.56576%0.761SS**  trans-50.6123.4174.9-21.429.4000107.2Y522P520-Y522 HydrophobicContact CB-CD2 4Å; P520-Y522 HydrophobicContact CB-CE2 3.77Å; P520-Y522 HydrophobicContact CG-CE2 4.09Å; P520-Y522 WeakPolarHBondContact O-CD2 3.17Å; P520-Y522 PolarHBondContact O-N 2.9Å
521A25.5Very low25.5Very low84 Ų84140.7 Ų140.769%0.69476%0.76SS**  trans-62.981.7168.200000106.7L519 F523L519-A521 PolarHBondContact O-N 2.91Å; A521-F523 PolarHBondContact O-N 2.78Å
522Y28Very low25.5Very low200 Ų200137.9 Ų137.978%0.78476%0.761SS**  trans-65.491159.2-74.9-79.6000104.1P520 T524P520-Y522 HydrophobicContact CB-CD2 4Å; P520-Y522 HydrophobicContact CB-CE2 3.77Å; P520-Y522 HydrophobicContact CG-CE2 4.09Å; P520-Y522 WeakPolarHBondContact O-CD2 3.17Å; P520-Y522 PolarHBondContact O-N 2.9Å; Y522-T524 VanDerWaalsContact C-N 3.33Å; Y522-T524 PolarHBondContact O-N 3.45Å
523F26.7Very low25.5Very low190 Ų190138.5 Ų138.583%0.83377%0.765SS**  trans-46.7108.5163.3-99.1-97.3000106.5A521 A525A521-F523 PolarHBondContact O-N 2.78Å; F523-A525 PolarHBondContact O-N 3.16Å
524T24.2Very low25.5Very low115 Ų115138.8 Ų138.871%0.70677%0.773SS**  trans-54.892.6160.634.90000106.2Y522 V526Y522-T524 VanDerWaalsContact C-N 3.33Å; Y522-T524 PolarHBondContact O-N 3.45Å; T524-V526 PolarHBondContact O-N 2.91Å
525A24.4Very low25.6Very low94 Ų94137.7 Ų137.778%0.77778%0.775SS**  trans-63.981.4153.700000105.8F523 R527F523-A525 PolarHBondContact O-N 3.16Å; A525-R527 VanDerWaalsContact C-N 3.31Å; A525-R527 PolarHBondContact O-N 3.32Å
526V23.4Very low25.9Very low101 Ų101140.2 Ų140.261%0.61278%0.775SS**  trans-62.5100.1170.2178.10000104.9T524 Q528T524-V526 PolarHBondContact O-N 2.91Å; V526-Q528 HydrophobicContact CG1-CG 3.91Å; V526-Q528 PolarHBondContact O-N 2.91Å
527R23.5Very low26Very low243 Ų243142.2 Ų142.292%0.91778%0.782SS**  trans-65.783.7162.9-77.1-172.1171-170.2-2.2107.4A525 N529A525-R527 VanDerWaalsContact C-N 3.31Å; A525-R527 PolarHBondContact O-N 3.32Å; R527-N529 VanDerWaalsContact C-N 3.29Å; R527-N529 PolarHBondContact O-N 3.03Å
528Q25.8Very low26Very low168 Ų168141.3 Ų141.379%0.78578%0.782SS**  trans-81.887.5156.3-89.6179.9-2.200106.4V526V526-Q528 HydrophobicContact CG1-CG 3.91Å; V526-Q528 PolarHBondContact O-N 2.91Å
529N24.3Very low26.3Very low155 Ų155141.3 Ų141.383%0.82978%0.777SS**  trans-152.7108.6144.2-101.3-15.3000108.6R527 S531R527-N529 VanDerWaalsContact C-N 3.29Å; R527-N529 PolarHBondContact O-N 3.03Å; N529-S531 PolarHBondContact O-N 2.96Å
530E24.8Very low26.7Very low196 Ų196137.5 Ų137.592%0.91677%0.769SS**  trans-42.3117.9167.2-63.5167.6151.700110.9
531S25.1Very low26.6Very low116 Ų116140.5 Ų140.581%0.81178%0.779SS**  trans-152.6126.1134.551.30000108.6N529 A533N529-S531 PolarHBondContact O-N 2.96Å; S531-A533 PolarHBondContact O-N 2.89Å
532S25.9Very low26.8Very low119 Ų119146.5 Ų146.583%0.83278%0.783SS**  trans-56.4112.2-179.254.10000112.2
533A26.7Very low26.9Very low82 Ų82145.2 Ų145.268%0.67879%0.785SS**  trans-15284.5151.700000106.1S531 P535S531-A533 PolarHBondContact O-N 2.89Å; A533-P535 WeakPolarHBondContact O-CD 3.31Å; A533-P535 VanDerWaalsContact O-CG 3.27Å; A533-P535 WeakPolarHBondContact O-CG 3.11Å; A533-P535 VanDerWaalsContact O-N 3.15Å
534I25.9Very low27Very low164 Ų164145.5 Ų145.584%0.84178%0.782SS**  trans-55.4110.5175.4-63164.7000108.5
535P28.6Very low27.2Very low117 Ų117144.7 Ų144.776%0.7678%0.78SS**  trans-110.195.8164.516.89.7000106A533 N537A533-P535 WeakPolarHBondContact O-CD 3.31Å; A533-P535 VanDerWaalsContact O-CG 3.27Å; A533-P535 WeakPolarHBondContact O-CG 3.11Å; A533-P535 VanDerWaalsContact O-N 3.15Å; P535-N537 PolarHBondContact O-N 3.3Å
536Q30.1Very low27.3Very low165 Ų165149.9 Ų149.977%0.77178%0.78SS**  trans5110.3154.7-63.2-176.2-23.200116N538Q536-N538 PolarHBondContact O-N 3.13Å
537N26.4Very low27.6Very low159 Ų159152.9 Ų152.985%0.8579%0.785SS**  4649.5120.8-130.65.2000116.9P535 S539P535-N537 PolarHBondContact O-N 3.3Å; N537-S539 PolarHBondContact O-N 3.39Å
538N27.4Very low27.7Very low155 Ų155149.6 Ų149.683%0.82978%0.78SS**  trans-83.897.2156.1-83.3-39.2000107.4Q536 A540Q536-N538 PolarHBondContact O-N 3.13Å; N538-A540 PolarHBondContact O-N 3.43Å
539S31.1Very low27.8Very low96 Ų96150.7 Ų150.767%0.67178%0.778SS**  trans-68.562.8160.165.40000108.8N537 L541N537-S539 PolarHBondContact O-N 3.39Å; S539-L541 PolarHBondContact O-N 3.25Å
540A32.6Very low27.8Very low82 Ų82150.1 Ų150.168%0.67878%0.78SS**  trans-69.773.3153.700000105.4N538 R542N538-A540 PolarHBondContact O-N 3.43Å; A540-R542 PolarHBondContact O-N 3.12Å
541L27.5Very low27.9Very low149 Ų149147.2 Ų147.278%0.7878%0.776SS**  trans-46.599.3156.5-93.7143.7000104.3S539 E543S539-L541 PolarHBondContact O-N 3.25Å; L541-E543 PolarHBondContact O-N 2.87Å
542R31.1Very low28Very low210 Ų210150.3 Ų150.379%0.79278%0.778SS**  trans-63.193.8168.3-79.5-174172.5-171.3-1.6104.3A540 Y544A540-R542 PolarHBondContact O-N 3.12Å; R542-Y544 VanDerWaalsContact O-CD2 3.26Å; R542-Y544 WeakPolarHBondContact O-CD2 3.48Å; R542-Y544 PolarHBondContact O-N 2.97Å
543E29Very low28.1Very low173 Ų173148.6 Ų148.681%0.80877%0.766SS**  trans-58.199.5164.4-75.3-177.5157.500105.4L541 S545L541-E543 PolarHBondContact O-N 2.87Å; E543-S545 VanDerWaalsContact C-N 3.3Å; E543-S545 PolarHBondContact O-N 3.46Å
544Y29.9Very low28.3Very low197 Ų197152.8 Ų152.877%0.77378%0.776SS**  trans-60.1102.8167-68.8-88.4000105.5R542 R546R542-Y544 VanDerWaalsContact O-CD2 3.26Å; R542-Y544 WeakPolarHBondContact O-CD2 3.48Å; R542-Y544 PolarHBondContact O-N 2.97Å; Y544-R546 VanDerWaalsContact C-N 3.33Å; Y544-R546 PolarHBondContact O-N 3.4Å
545S27.5Very low28.5Very low97 Ų97155.3 Ų155.368%0.67879%0.791SS**  trans-53.199.5173.1-62.20000108.2E543 F547E543-S545 VanDerWaalsContact C-N 3.3Å; E543-S545 PolarHBondContact O-N 3.46Å; S545-F547 WeakPolarHBondContact O-CD2 3.31Å; S545-F547 PolarHBondContact O-N 3.23Å
546R26.7Very low28.5Very low204 Ų204157.3 Ų157.377%0.7779%0.792SS**  trans-72.5108.6174-69.5-177.6-173.4-176.90.4106.2Y544 H548Y544-R546 VanDerWaalsContact C-N 3.33Å; Y544-R546 PolarHBondContact O-N 3.4Å; R546-H548 PolarHBondContact O-CD2 3.22Å; R546-H548 PolarHBondContact O-N 3.36Å
547F28.9Very low28.4Very low163 Ų163156.8 Ų156.872%0.71579%0.793SS**  trans-66.1115.8170.8-68.8-85.9000108.2S545 Y549S545-F547 WeakPolarHBondContact O-CD2 3.31Å; S545-F547 PolarHBondContact O-N 3.23Å; F547-Y549 HydrophobicContact CB-CD1 4.31Å; F547-Y549 HydrophobicContact CB-CE1 3.67Å
548H26.3Very low28.5Very low174 Ų174156.7 Ų156.781%0.80679%0.79SS**  trans-91.8115.4170.5-71.8-83.7000108R546R546-H548 PolarHBondContact O-CD2 3.22Å; R546-H548 PolarHBondContact O-N 3.36Å
549Y28.6Very low28.6Very low191 Ų191156.8 Ų156.875%0.74979%0.788SS**  trans-102.6119.8168.2-6.8-87000107.8F547F547-Y549 HydrophobicContact CB-CD1 4.31Å; F547-Y549 HydrophobicContact CB-CE1 3.67Å
550T24.6Very low28.4Very low143 Ų143160.6 Ų160.688%0.87780%0.795SS**  trans-90.8112.8165.112.30000107.5
551V26.1Very low28.1Very low136 Ų136165.9 Ų165.982%0.82480%0.803SS**  trans-88.8111.6167.8-176.90000106.2
552Q26.9Very low28.2Very low181 Ų181167.1 Ų167.185%0.84681%0.805SS**  trans-94.4111.8172.9-163166.8-900106.6
553S27.2Very low27.9Very low83 Ų83163.8 Ų163.858%0.5881%0.805SS**  trans-101.6132.7172.862.50000109.4L555S553-L555 PolarHBondContact O-N 3.37Å
554D31.3Very low27.8Very low169 Ų169163 Ų16390%0.90481%0.805SS**  trans-74.635.8175.8-65.3-26.4000113.2
555L30Very low27.7Very low218 Ų218159.9 Ų159.9100%1.14181%0.808SS**  trans-890177.8-95.2160.8000111.8S553S553-L555 PolarHBondContact O-N 3.37Å

Retrieved 555 of 555 residues in 205.7 ms (Link to these results)