A0A077Z8J0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z8J0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 416 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
1M32Very low31.9Very low249 Ų249135 Ų135100%1.22778%0.781SS**  095.90-155174.9-160.900106.6
2V24.6Very low32.5Very low139 Ų139141.7 Ų141.784%0.84278%0.784SS**  trans-112.7114.2-175-179.30000107.3
3S23.3Very low33.3Very low112 Ų112140.1 Ų140.178%0.78377%0.773SS**  trans-79.5120.5178.7630000110.4
4V29Very low34Very low133 Ų133135.1 Ų135.181%0.80675%0.753SS**  trans-101.5108.6159.7-177.20000106.3S6V4-S6 PolarHBondContact O-N 2.8Å
5K30.3Very low34.6Very low191 Ų191133.5 Ų133.583%0.8374%0.743SS**  trans-58.9119.6170.2-96.7175.31701780108.6
6S27.5Very low35.3Very low112 Ų112134.6 Ų134.678%0.78374%0.737SS**  trans-72.2114.916950.20000110V4V4-S6 PolarHBondContact O-N 2.8Å
7N31.6Very low36.1Very low125 Ų125132.8 Ų132.867%0.66873%0.726SS**  trans-85.7130.1163.4-89.415.7000110E11N7-E11 PolarHBondContact ND2-OE2 3.46Å
8S37.2Very low36.8Very low85 Ų85133.2 Ų133.259%0.59472%0.722SS**  trans-70.9155-172.747.30000113.9A10 E11S8-A10 PolarHBondContact O-N 3.05Å; S8-E11 PolarHBondContact O-N 3.28Å
9V39.6Very low37.4Very low131 Ų131132.8 Ų132.879%0.79472%0.715SS**G310 helixtrans-55.6-1.9177.8177.10000115
10A37.3Very low38.2Very low81 Ų81133.4 Ų133.467%0.66971%0.713SS**G310 helixtrans-80.9-6.8178.800000115.3S8S8-A10 PolarHBondContact O-N 3.05Å
11E38.3Very low38.8Very low127 Ų127134.7 Ų134.759%0.59371%0.713SS**G310 helixtrans-96.88.2177.4-73.6-178.6153.200113.9N7 S8N7-E11 PolarHBondContact ND2-OE2 3.46Å; S8-E11 PolarHBondContact O-N 3.28Å
12R40Very low39.4Very low215 Ų215130 Ų13081%0.81169%0.686SS**SBendtrans-101.5-12.9-180-86.7-173.3176.31750.1115.8
13D41.7Very low40.3Very low121 Ų121132.8 Ų132.865%0.64768%0.681SS**SBendtrans-97.4-12.3-177.7-76-30.5000113.9
14S43.4Very low41.1Very low70 Ų70129.2 Ų129.249%0.4966%0.662SS.*Hα-helixtrans-78.5-16.6178.749.40000114.9
15D43.3Very low41.7Very low112 Ų112125.8 Ų125.860%0.59965%0.648SS**Hα-helixtrans-83.6-16.7178.7-77.9-10.4000113.3Q19D15-Q19 PolarHBondContact O-N 3.24Å
16K46.1Very low42Very low151 Ų151125.2 Ų125.266%0.65765%0.645SS**Hα-helixtrans-76.9-38.1177.5-102-177.2175179.30112.4E18 Q19 E20K16-E18 VanDerWaalsContact C-N 3.34Å; K16-E18 PolarHBondContact O-N 3.15Å; K16-Q19 PolarHBondContact O-N 3.1Å; K16-E20 PolarHBondContact O-N 3.38Å
17D48.6Very low42.6Very low103 Ų103123.8 Ų123.855%0.55164%0.641SS**Hα-helixtrans-70.6-28.7-179.9-76.2-5.5000112.6K21D17-K21 WeakPolarHBondContact O-CB 3.4Å; D17-K21 VanDerWaalsContact O-CG 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.21Å; D17-K21 PolarHBondContact O-N 3.03Å
18E48.7Very low42.8Very low140 Ų140126.7 Ų126.765%0.65465%0.647SS**Hα-helixtrans-76.8-33.2173.4-67.9-155.4156.400112.9K16 K21 F22K16-E18 VanDerWaalsContact C-N 3.34Å; K16-E18 PolarHBondContact O-N 3.15Å; E18-K21 PolarHBondContact O-N 3.17Å; E18-F22 PolarHBondContact O-N 3.37Å
19Q47.9Very low42.6Very low127 Ų127130.3 Ų130.359%0.59366%0.655SS**Hα-helixtrans-71.3-34.5173.8-81.3-169.21.100113.3D15 K16 F22 R23D15-Q19 PolarHBondContact O-N 3.24Å; K16-Q19 PolarHBondContact O-N 3.1Å; Q19-F22 PolarHBondContact O-N 3.33Å; Q19-R23 PolarHBondContact O-N 2.72Å; Q19-R23 VanDerWaalsContact O-N 3.09Å
20E53.7Low42.4Very low143 Ų143129.8 Ų129.867%0.66865%0.654SS**Hα-helixtrans-71.3-35.7172.9-80.7-169.9165.200112.3K16 F22 R23 G24K16-E20 PolarHBondContact O-N 3.38Å; E20-F22 VanDerWaalsContact C-N 3.32Å; E20-F22 PolarHBondContact O-N 2.92Å; E20-R23 PolarHBondContact O-N 3.01Å; E20-G24 PolarHBondContact O-N 3.41Å
21K50.1Low42Very low162 Ų162134.3 Ų134.370%0.70466%0.659SS**Hα-helixtrans-63.4-35.6171.2-76.9174.3-176.1172.60112.6D17 E18 A25D17-K21 WeakPolarHBondContact O-CB 3.4Å; D17-K21 VanDerWaalsContact O-CG 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.21Å; D17-K21 PolarHBondContact O-N 3.03Å; E18-K21 PolarHBondContact O-N 3.17Å; K21-A25 PolarHBondContact O-N 3.09Å
22F45.1Very low41.5Very low151 Ų151136.2 Ų136.266%0.66267%0.673SS**Hα-helixtrans-71.5-31.7173.9-113-83.5000113.5E18 Q19 E20E18-F22 PolarHBondContact O-N 3.37Å; Q19-F22 PolarHBondContact O-N 3.33Å; E20-F22 VanDerWaalsContact C-N 3.32Å; E20-F22 PolarHBondContact O-N 2.92Å
23R43.1Very low40.8Very low197 Ų197132.7 Ų132.774%0.74366%0.664SS**Hα-helixtrans-76.5-29.6174.5-74.6-179.1-178.9178.22.5113Q19 E20Q19-R23 PolarHBondContact O-N 2.72Å; Q19-R23 VanDerWaalsContact O-N 3.09Å; E20-R23 PolarHBondContact O-N 3.01Å
24G40.8Very low40.1Very low37 Ų37133.1 Ų133.138%0.38167%0.673SS.*Hα-helixtrans-73.6-23.2175.500000114.8E20E20-G24 PolarHBondContact O-N 3.41Å
25A40.6Very low39.3Very low61 Ų61136.8 Ų136.850%0.50469%0.687SS.*Hα-helixtrans-75.6-28179.100000113.4K21 A27K21-A25 PolarHBondContact O-N 3.09Å; A25-A27 VanDerWaalsContact C-N 3.34Å
26F37.8Very low38.7Very low178 Ų178141.2 Ų141.278%0.78170%0.7SS**THydrogen-bonded Turntrans-86.6-1.6175.3-80.7-82.9000114.2
27A39Very low37.7Very low83 Ų83142.3 Ų142.369%0.68671%0.708SS**THydrogen-bonded Turntrans-105.25.8178.500000113.4A25A25-A27 VanDerWaalsContact C-N 3.34Å
28K37.4Very low36.7Very low185 Ų185142.8 Ų142.880%0.80472%0.716SS**SBendtrans-1247.8-176.4-79.4-173176.3-178.50115.3
29E32.9Very low35.5Very low162 Ų162140.6 Ų140.676%0.75772%0.722SS**SBendtrans-105.1118.9169.9-73.4-172.6166.300110.2
30P34.1Very low34.4Very low119 Ų119142.5 Ų142.577%0.77374%0.736SS**  trans-78.3140-178.131.9-31.8000110.9D32P30-D32 PolarHBondContact O-N 2.71Å
31F28.8Very low32.9Very low176 Ų176143.5 Ų143.577%0.77274%0.744SS**  trans-56.4121.3168.5-79.7-98.9000111.6F33F31-F33 HydrophobicContact CB-CD2 4.39Å; F31-F33 AromaticContact CD1-CD2 3.71Å; F31-F33 HydrophobicContact CD1-CD2 3.71Å; F31-F33 AromaticContact CD1-CE2 3.65Å; F31-F33 HydrophobicContact CD1-CE2 3.65Å; F31-F33 HydrophobicContact CE1-CD2 4.48Å; F31-F33 AromaticContact CE1-CE2 3.97Å; F31-F33 HydrophobicContact CE1-CE2 3.97Å; F31-F33 HydrophobicContact CG-CD2 4.47Å
32D27.7Very low31.8Very low167 Ų167141 Ų14189%0.89375%0.745SS**  trans-98.483.2156.2-94.5-22.2000109.3P30P30-D32 PolarHBondContact O-N 2.71Å
33F25.8Very low31Very low141 Ų141141.5 Ų141.562%0.61875%0.749SS**  trans-79.4122.8154.5-96-89.8000107.9F31 L35F31-F33 HydrophobicContact CB-CD2 4.39Å; F31-F33 AromaticContact CD1-CD2 3.71Å; F31-F33 HydrophobicContact CD1-CD2 3.71Å; F31-F33 AromaticContact CD1-CE2 3.65Å; F31-F33 HydrophobicContact CD1-CE2 3.65Å; F31-F33 HydrophobicContact CE1-CD2 4.48Å; F31-F33 AromaticContact CE1-CE2 3.97Å; F31-F33 HydrophobicContact CE1-CE2 3.97Å; F31-F33 HydrophobicContact CG-CD2 4.47Å; F33-L35 HydrophobicContact CB-CD1 4.35Å; F33-L35 HydrophobicContact CB-CG 4.4Å; F33-L35 PolarHBondContact O-N 3.47Å
34P28Very low30Very low131 Ų131139.7 Ų139.785%0.85175%0.751SS**  trans-77.978.8164.130.8-29000109K36P34-K36 PolarHBondContact O-N 3.16Å
35L25.8Very low29.3Very low147 Ų147144.3 Ų144.377%0.7777%0.772SS**  trans-83.881.7163.6-86.5162.6000109.2F33F33-L35 HydrophobicContact CB-CD1 4.35Å; F33-L35 HydrophobicContact CB-CG 4.4Å; F33-L35 PolarHBondContact O-N 3.47Å
36K30.6Very low28.6Very low204 Ų204145.7 Ų145.789%0.88778%0.783SS**  trans-142.2100.6152.6-77.6-164.8178.7177.70111.1P34P34-K36 PolarHBondContact O-N 3.16Å
37H26Very low27.9Very low175 Ų175146.1 Ų146.181%0.8179%0.788SS**  trans-46.9175.7148.7-110.1-77.9000112.3
38P27.2Very low27.1Very low112 Ų112149.2 Ų149.273%0.72779%0.793SS**  cis-140.2158.9-5.636-17000114.7
39A23.6Very low26.4Very low94 Ų94147.8 Ų147.878%0.77779%0.794SS**SBendtrans-160.7126.8145.800000110.8
40L24Very low25.9Very low168 Ų168147.9 Ų147.988%0.8880%0.798SS**  trans84.269.2169.1-49.5174.4000116.8
41L23Very low25.4Very low163 Ų163146 Ų14685%0.85379%0.793SS**  trans-104.8140.5132-77.3167.2000107.2
42P26.3Very low25.1Very low111 Ų111144 Ų14472%0.72180%0.795SS**  trans-104117.8142.912.65.3000109.2
43E27.6Very low24.8Very low160 Ų160139.9 Ų139.975%0.74879%0.792SS**  trans67.6107.4136.3-60.3-178.8167.400118.9
44M22.3Very low24.7Very low160 Ų160138.2 Ų138.279%0.78880%0.798SS**  66.8121.5110-59-162.6-50.500112.9
45V26.3Very low24.4Very low133 Ų133139.9 Ų139.981%0.80680%0.799SS**  -163136.666.6168.30000110.2
46A26Very low24.2Very low91 Ų91142.6 Ų142.675%0.75281%0.805SS**  trans17.3138.515000000123.1D48A46-D48 PolarHBondContact O-N 3.47Å
47E23.1Very low23.9Very low186 Ų186141.8 Ų141.887%0.86980%0.804SS**  trans-54.1121.2158.6-61.8173152.200111.6
48D22.2Very low23.7Very low148 Ų148139.7 Ų139.779%0.79180%0.803SS**  167.7126.9125.4-93-23.8000110.5A46A46-D48 PolarHBondContact O-N 3.47Å
49N22.3Very low23.5Very low156 Ų156139.4 Ų139.483%0.83480%0.801SS**  trans118.4127.3161.1-61.9-48.1000117.7
50I24.3Very low23.6Very low163 Ų163140.5 Ų140.584%0.83680%0.8SS**  trans-34.4124.6172.6-59.5157.7000114.5
51A22.3Very low23.6Very low80 Ų80138.1 Ų138.166%0.66180%0.795SS**  trans-162.9109.9146.200000109
52T22.4Very low23.6Very low134 Ų134140 Ų14082%0.82280%0.799SS**  37.7112.191.2520000115.1
53G21.6Very low23.6Very low80 Ų80142.9 Ų142.983%0.82581%0.805SS**  trans85.4128.7166.800000113.6
54S23Very low23.3Very low107 Ų107144.5 Ų144.575%0.74881%0.813SS**  cis-150.4139.842.149.40000113.1
55L23.3Very low23.5Very low166 Ų166140.4 Ų140.487%0.86980%0.8SS**  trans-63.8129.6161-77.9132.6000109E57L55-E57 PolarHBondContact O-N 2.99Å
56F21.4Very low23.4Very low204 Ų204139 Ų13990%0.89580%0.796SS**  trans-77108.6157.2-83.8-86.9000107.9
57E22.9Very low23.3Very low186 Ų186138.3 Ų138.387%0.86979%0.786SS**PPolyproline II helixtrans-66.4126.6174-72179.4150.500110.7L55L55-E57 PolarHBondContact O-N 2.99Å
58V22.5Very low23.4Very low132 Ų132138.1 Ų138.180%0.878%0.779SS**PPolyproline II helixtrans-102.3125.5159.3179.30000105.9
59P23.4Very low23.5Very low105 Ų105134.8 Ų134.868%0.68277%0.772SS**PPolyproline II helixtrans-64.4144.3-174.425.1-32.3000111
60P26.5Very low23.7Very low117 Ų117133.9 Ų133.976%0.7677%0.766SS**PPolyproline II helixtrans-61.3141.3175.924.9-31.9000110.3
61P23.6Very low23.6Very low119 Ų119129.8 Ų129.877%0.77376%0.756SS**PPolyproline II helixtrans-62.3137.817924.6-32.1000111M63P61-M63 PolarHBondContact O-N 3.25Å
62E22.4Very low23.9Very low201 Ų201132.6 Ų132.694%0.93977%0.765SS**  trans-55.8106.1178.2-66179.116400110.9
63M26.3Very low23.9Very low172 Ų172136.3 Ų136.385%0.84777%0.77SS**  trans-88.5121.6163-79.9-169.4157.800108.5P61 S65P61-M63 PolarHBondContact O-N 3.25Å; M63-S65 PolarHBondContact O-N 3.27Å
64E22.1Very low24.1Very low194 Ų194135.3 Ų135.391%0.90776%0.759SS**  trans-60.3104.5163.4-76.2-172.9161.500108.4S66E64-S66 PolarHBondContact O-N 3.31Å; E64-S66 VanDerWaalsContact O-N 3.15Å
65S26.5Very low24.2Very low75 Ų75136.2 Ų136.252%0.52477%0.766SS.*  trans-70.1109.6176.284.90000108.7M63 S67 K122M63-S65 PolarHBondContact O-N 3.27Å; S65-S67 PolarHBondContact O-N 3.1Å; S65-K122 PolarHBondContact OG-NZ 3.46Å
66S23.4Very low24.4Very low103 Ų103136.3 Ų136.372%0.7277%0.766SS**  trans-71.697.1165.150.10000108.7E64E64-S66 PolarHBondContact O-N 3.31Å; E64-S66 VanDerWaalsContact O-N 3.15Å
67S24.6Very low24.6Very low77 Ų77131 Ų13154%0.53876%0.76SS.*  trans-85.5121.2170.548.60000110.3S65S65-S67 PolarHBondContact O-N 3.1Å
68Y24.8Very low25Very low181 Ų181129.6 Ų129.671%0.7176%0.757SS**  trans-111.2128.9163.6-73.7-82.3000109.6
69A24.2Very low25.1Very low79 Ų79131.8 Ų131.865%0.65376%0.759SS**  trans-92.3125166.900000108
70I25.4Very low25.4Very low137 Ų137134.3 Ų134.370%0.70377%0.767SS**  trans-102.6107.4169.7-59.9176.7000106.9T72I70-T72 PolarHBondContact O-N 3.43Å
71A22.9Very low25.4Very low76 Ų76131.5 Ų131.563%0.62875%0.754SS**  trans-73.1116.1169.100000109.1K73A71-K73 PolarHBondContact O-N 3.02Å
72T29Very low25.7Very low139 Ų139129 Ų12985%0.85374%0.742SS**  trans-70.994.5168.744.10000109.3I70 G74I70-T72 PolarHBondContact O-N 3.43Å; T72-G74 PolarHBondContact O-N 3.35Å
73K22.5Very low26Very low213 Ų213122.4 Ų122.493%0.92672%0.716SS**  trans-80.8101.4160.9-82-171.5177-179.10108.5A71A71-K73 PolarHBondContact O-N 3.02Å
74G25.3Very low26.2Very low58 Ų58117 Ų11760%0.59870%0.699SS**  trans159.497168.300000111.7T72 L76T72-G74 PolarHBondContact O-N 3.35Å; G74-L76 PolarHBondContact O-N 3.24Å; G74-L76 VanDerWaalsContact O-N 3.15Å
75S25.3Very low26.5Very low127 Ų127109.9 Ų109.989%0.88867%0.668SS**  trans-60109.4161.255.80000108.8
76L27.4Very low26.6Very low168 Ų168110.6 Ų110.688%0.8867%0.667SS**  trans-125.8130.6165.7-89159.3000108.1G74G74-L76 PolarHBondContact O-N 3.24Å; G74-L76 VanDerWaalsContact O-N 3.15Å
77A26.1Very low26.9Very low92 Ų92107.1 Ų107.176%0.7664%0.641SS**  trans-59136.2-162.300000112.9E79A77-E79 PolarHBondContact O-N 2.89Å
78L30.5Very low27Very low156 Ų156106 Ų10682%0.81764%0.636SS**SBendtrans-59.1111.2168.4-72.5138.9000109.4
79E25.2Very low27.1Very low178 Ų178102.6 Ų102.683%0.83263%0.625SS**SBendtrans176.2102.8147.1-97.1163-155.100106.5A77 A81A77-E79 PolarHBondContact O-N 2.89Å; E79-A81 PolarHBondContact O-N 3.1Å
80N29.6Very low27.3Very low159 Ų159105.3 Ų105.385%0.8563%0.629SS**SBendtrans71.920.1171.9-53.1-27.4000118.9A82N80-A82 PolarHBondContact O-N 3.1Å
81A27.5Very low27.3Very low58 Ų58109.2 Ų109.248%0.47963%0.634SS.*  trans-82.7106.5173.200000111.4E79 V83E79-A81 PolarHBondContact O-N 3.1Å; A81-V83 PolarHBondContact O-N 3.09Å
82A29.6Very low27.4Very low65 Ų65111 Ų11154%0.53763%0.629SS.*  trans-54.6109.1155.200000107.5N80 A84 V107N80-A82 PolarHBondContact O-N 3.1Å; A82-A84 PolarHBondContact O-N 3.22Å; A82-V107 HydrophobicContact CB-CG1 3.97Å
83V28.4Very low27.2Very low63 Ų63109.8 Ų109.838%0.38262%0.624SS.*EExtended strand (participates in β ladder)trans-69.7100.5179.5-1780000107.1A81 V85A81-V83 PolarHBondContact O-N 3.09Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V83-V85 HydrophobicContact CG1-CG2 3.83Å; V83-V85 PolarHBondContact O-N 3.43Å
84A29.7Very low27.2Very low60 Ų60106 Ų10650%0.49661%0.61SS.*EExtended strand (participates in β ladder)trans-71.389.7170.400000108.5A82 N86 T105A82-A84 PolarHBondContact O-N 3.22Å; A84-N86 PolarHBondContact O-N 3.25Å; A84-N86 VanDerWaalsContact O-N 3.17Å; A84-T105 HydrophobicContact CB-CG2 3.41Å; A84-T105 VanDerWaalsContact CB-CG2 3.41Å
85V29.1Very low27.1Very low43 Ų43105.2 Ų105.226%0.26160%0.601SS.*EExtended strand (participates in β ladder)trans-76.7104.4172.1-176.60000107.4V83 V87 A104 T105 C106 I108V83-V85 VanDerWaalsContact C-N 3.34Å; V83-V85 HydrophobicContact CG1-CG2 3.83Å; V83-V85 PolarHBondContact O-N 3.43Å; V85-V87 HydrophobicContact CG1-CG2 4.17Å; V85-V87 PolarHBondContact O-N 3.16Å; V85-V87 VanDerWaalsContact O-N 3.09Å; V85-A104 VanDerWaalsContact O-O 3.06Å; V85-T105 WeakPolarHBondContact O-CA 3.19Å; V85-C106 HydrophobicContact CB-CB 4.4Å; V85-C106 PolarHBondContact N-O 3.48Å; V85-C106 VanDerWaalsContact N-O 3.1Å; V85-C106 PolarHBondContact O-N 2.73Å; V85-C106 VanDerWaalsContact O-N 3.1Å; V85-I108 HydrophobicContact CG2-CD1 3.87Å; V85-I108 HydrophobicContact CG2-CG1 4.42Å
86N28.8Very low27.1Very low91 Ų91107.3 Ų107.349%0.48759%0.594SS.*EExtended strand (participates in β ladder)trans-73.995.9172.6-80.6-27.7000109.4A84 A88 T103 T105A84-N86 PolarHBondContact O-N 3.25Å; A84-N86 VanDerWaalsContact O-N 3.17Å; N86-A88 PolarHBondContact O-N 3.32Å; N86-T103 HydrophobicContact CB-CG2 3.78Å; N86-T105 PolarHBondContact OD1-OG1 3.19Å
87V28.6Very low26.8Very low29 Ų29105.2 Ų105.218%0.17659%0.589CS.*EExtended strand (participates in β ladder)trans-79.1102168.6-173.70000107.3V85 F89 T103 A104V85-V87 HydrophobicContact CG1-CG2 4.17Å; V85-V87 PolarHBondContact O-N 3.16Å; V85-V87 VanDerWaalsContact O-N 3.09Å; V87-F89 HydrophobicContact CG1-CE1 4.35Å; V87-F89 HydrophobicContact CG1-CZ 4.34Å; V87-T103 WeakPolarHBondContact O-CA 3.49Å; V87-A104 PolarHBondContact N-O 3.28Å; V87-A104 PolarHBondContact O-N 2.99Å; V87-A104 VanDerWaalsContact O-N 3.1Å
88A27Very low26.8Very low53 Ų53105.8 Ų105.844%0.43859%0.587SS.*EExtended strand (participates in β ladder)trans-78.9117167.800000108.4N86 D90 C101N86-A88 PolarHBondContact O-N 3.32Å; A88-D90 PolarHBondContact O-N 3.15Å; A88-C101 HydrophobicContact CB-CB 4.38Å
89F28.3Very low26.5Very low110 Ų110103.9 Ų103.948%0.48259%0.587SS.*  trans-77.2107170.4-62.1-81.4000109V87 R91 A104V87-F89 HydrophobicContact CG1-CE1 4.35Å; V87-F89 HydrophobicContact CG1-CZ 4.34Å; F89-R91 VanDerWaalsContact C-N 3.33Å; F89-R91 PolarHBondContact O-N 3.44Å; F89-R91 VanDerWaalsContact O-N 3.16Å; F89-A104 HydrophobicContact CE2-CB 3.6Å; F89-A104 HydrophobicContact CZ-CB 4Å
90D26.6Very low26.6Very low136 Ų136104.1 Ų104.173%0.72759%0.588SS**  trans-81.887.2163.8-152.6-0.7000107.9A88 H92A88-D90 PolarHBondContact O-N 3.15Å; D90-H92 PolarHBondContact O-N 3.37Å
91R25.8Very low26.4Very low219 Ų219100.7 Ų100.783%0.82658%0.576SS**  trans-77.399.9159.1-88.2-169.2174.6-177.1-0.1106.1F89F89-R91 VanDerWaalsContact C-N 3.33Å; F89-R91 PolarHBondContact O-N 3.44Å; F89-R91 VanDerWaalsContact O-N 3.16Å
92H25Very low26.5Very low113 Ų113106.7 Ų106.752%0.52359%0.591SS.*  trans-166.8119.9141-97.5-55.9000112.4D90 H94D90-H92 PolarHBondContact O-N 3.37Å; H92-H94 VanDerWaalsContact C-N 3.34Å; H92-H94 PolarHBondContact ND1-O 3.48Å; H92-H94 PolarHBondContact O-N 2.81Å
93P25.6Very low26.4Very low115 Ų115106.9 Ų106.975%0.74759%0.585SS**SBendtrans-70.8105.7132.530.1-19.8000105.6
94H22.5Very low26.5Very low134 Ų134104.7 Ų104.762%0.6257%0.574SS**SBendtrans73.4109.2170.8-55.5-68.2000118.8H92 P358H92-H94 VanDerWaalsContact C-N 3.34Å; H92-H94 PolarHBondContact ND1-O 3.48Å; H92-H94 PolarHBondContact O-N 2.81Å; H94-P358 HydrophobicContact CB-CB 3.91Å; H94-P358 HydrophobicContact CB-CG 3.63Å; H94-P358 WeakPolarHBondContact O-CB 3.42Å; H94-P358 WeakPolarHBondContact O-CG 3.46Å
95G23.4Very low26.5Very low40 Ų40104.6 Ų104.641%0.41257%0.567SS.*  trans86.47013000000117.8
96K23.6Very low26.5Very low171 Ų171104.2 Ų104.274%0.74357%0.566SS**  -171.6138.1123.2-101.7167.6-171.2-177.30111.8
97T22Very low26.6Very low125 Ų125105 Ų10577%0.76757%0.574SS**  trans-59.9135.3177.835.20000113.6
98S26.1Very low26.7Very low104 Ų104105.5 Ų105.573%0.72758%0.575SS**SBendtrans33.3107.3141.767.40000118.1
99S24Very low26.8Very low116 Ų116109.2 Ų109.281%0.81158%0.583SS**SBendtrans-177.4-1.5139.939.90000115.4
100Q28Very low27Very low183 Ų183107.7 Ų107.786%0.85558%0.583SS**  trans-141.563177-64.5-172.9-7.300111.6K102Q100-K102 PolarHBondContact O-N 3.33Å; Q100-K102 VanDerWaalsContact O-N 3.09Å
101C25.9Very low27.4Very low87 Ų87105.4 Ų105.459%0.58858%0.578SS**  trans-67106.6165.4-65.20000107.9A88 T103A88-C101 HydrophobicContact CB-CB 4.38Å; C101-T103 PolarHBondContact O-N 3.16Å
102K27.9Very low27.8Very low184 Ų18498.7 Ų98.780%0.856%0.558SS**  trans-76101.6159.2-73.9-172.5177.9-1750106.4Q100Q100-K102 PolarHBondContact O-N 3.33Å; Q100-K102 VanDerWaalsContact O-N 3.09Å
103T28.2Very low28.1Very low68 Ų6896 Ų9642%0.41755%0.55SS..EExtended strand (participates in β ladder)trans-75.3122.4174.540.70000109N86 V87 C101N86-T103 HydrophobicContact CB-CG2 3.78Å; V87-T103 WeakPolarHBondContact O-CA 3.49Å; C101-T103 PolarHBondContact O-N 3.16Å
104A29.5Very low28.4Very low18 Ų1895.3 Ų95.315%0.14955%0.553CS.*EExtended strand (participates in β ladder)trans-82.3124.3156.700000107V85 V87 F89V85-A104 VanDerWaalsContact O-O 3.06Å; V87-A104 PolarHBondContact N-O 3.28Å; V87-A104 PolarHBondContact O-N 2.99Å; V87-A104 VanDerWaalsContact O-N 3.1Å; F89-A104 HydrophobicContact CE2-CB 3.6Å; F89-A104 HydrophobicContact CZ-CB 4Å
105T30.2Very low28.9Very low57 Ų5796.3 Ų96.335%0.3556%0.563SS.*EExtended strand (participates in β ladder)trans-93.3107.8175.7-53.60000108.1A84 V85 N86A84-T105 HydrophobicContact CB-CG2 3.41Å; A84-T105 VanDerWaalsContact CB-CG2 3.41Å; V85-T105 WeakPolarHBondContact O-CA 3.19Å; N86-T105 PolarHBondContact OD1-OG1 3.19Å
106C30.5Very low29.3Very low36 Ų3697.1 Ų97.124%0.24356%0.56CS.*EExtended strand (participates in β ladder)trans-82.7129.7168.2-75.70000108.7V85V85-C106 HydrophobicContact CB-CB 4.4Å; V85-C106 PolarHBondContact N-O 3.48Å; V85-C106 VanDerWaalsContact N-O 3.1Å; V85-C106 PolarHBondContact O-N 2.73Å; V85-C106 VanDerWaalsContact O-N 3.1Å
107V30Very low29.4Very low107 Ų10793.8 Ų93.865%0.64856%0.558SS**EExtended strand (participates in β ladder)trans-95.7110171.6177.60000107.6A82A82-V107 HydrophobicContact CB-CG1 3.97Å
108I30.2Very low29.8Very low40 Ų4093.5 Ų93.521%0.20555%0.549CS..EExtended strand (participates in β ladder)trans-89.9129.1172.5-56.7175.2000107.9V85V85-I108 HydrophobicContact CG2-CD1 3.87Å; V85-I108 HydrophobicContact CG2-CG1 4.42Å
109H30.6Very low30Very low131 Ų13191.5 Ų91.561%0.60653%0.532SS*.  trans-70.9136.5178.8-152.3-94000110.1S111 D112H109-S111 PolarHBondContact ND1-OG 3Å; H109-S111 PolarHBondContact O-N 3.15Å; H109-D112 PolarHBondContact O-N 3.29Å; H109-D112 VanDerWaalsContact O-N 3.16Å
110T30.9Very low30.3Very low78 Ų7887.9 Ų87.948%0.47951%0.505SS..G310 helixtrans-63.3-14.6-171.341.80000114.9D112 V113T110-D112 PolarHBondContact O-N 2.69Å; T110-V113 PolarHBondContact O-N 2.93Å
111S35.5Very low30.3Very low88 Ų8881.2 Ų81.262%0.61548%0.478SS*.G310 helixtrans-66.1-22.2174.952.10000113.8H109H109-S111 PolarHBondContact ND1-OG 3Å; H109-S111 PolarHBondContact O-N 3.15Å
112D34.4Very low30.5Very low78 Ų7879.3 Ų79.342%0.41746%0.46SS..G310 helixtrans-102.10.6-176.8-60-24.2000112H109 T110 A114 D115 V116H109-D112 PolarHBondContact O-N 3.29Å; H109-D112 VanDerWaalsContact O-N 3.16Å; T110-D112 PolarHBondContact O-N 2.69Å; D112-A114 VanDerWaalsContact C-N 3.34Å; D112-A114 PolarHBondContact O-N 3.16Å; D112-D115 PolarHBondContact O-N 3.12Å; D112-V116 WeakPolarHBondContact O-CG2 3.37Å
113V31.6Very low30.5Very low56 Ų5673 Ų7334%0.33944%0.437SS..G310 helixtrans-75.1-20.5-169.6175.40000113.4T110 D115T110-V113 PolarHBondContact O-N 2.93Å; V113-D115 VanDerWaalsContact C-N 3.29Å; V113-D115 PolarHBondContact O-N 3.07Å
114A32.1Very low30.5Very low100 Ų10074.3 Ų74.383%0.82644%0.441SS*.G310 helixtrans-71.7-22.2178.700000113.5D112D112-A114 VanDerWaalsContact C-N 3.34Å; D112-A114 PolarHBondContact O-N 3.16Å
115D33.2Very low30.4Very low155 Ų15580.5 Ų80.583%0.82947%0.47SS*.G310 helixtrans-1118.5-178.4-77.9-31.2000113.6D112 V113 S117D112-D115 PolarHBondContact O-N 3.12Å; V113-D115 VanDerWaalsContact C-N 3.29Å; V113-D115 PolarHBondContact O-N 3.07Å; D115-S117 PolarHBondContact O-N 2.83Å
116V29.9Very low30.2Very low57 Ų5779.8 Ų79.835%0.34547%0.474SS..  trans-103.766.9-176.7-179.30000109.9D112 T119D112-V116 WeakPolarHBondContact O-CG2 3.37Å; V116-T119 HydrophobicContact CG1-CG2 3.75Å; V116-T119 WeakPolarHBondContact CG1-OG1 3.43Å
117S27.6Very low30Very low101 Ų10182.7 Ų82.771%0.70650%0.501SS*.SBendtrans-82.7117.216058.40000108.1D115D115-S117 PolarHBondContact O-N 2.83Å
118E29.9Very low29.8Very low120 Ų12084.5 Ų84.556%0.56151%0.507SS*.SBendtrans53.869.8179.9-63.8-175.6151.900115.2V120 N155E118-V120 PolarHBondContact O-N 3.37Å; E118-N155 PolarHBondContact OE2-ND2 3.26Å
119T30.7Very low29.5Very low62 Ų6287 Ų8738%0.3853%0.528SS..  trans-69100162.48.90000109.7V116 C121V116-T119 HydrophobicContact CG1-CG2 3.75Å; V116-T119 WeakPolarHBondContact CG1-OG1 3.43Å; T119-C121 PolarHBondContact O-N 3.04Å
120V28.8Very low29.1Very low39 Ų3987.3 Ų87.324%0.23654%0.539CS..EExtended strand (participates in β ladder)trans-77.196159.2-177.40000106.9E118 K122E118-V120 PolarHBondContact O-N 3.37Å; V120-K122 VanDerWaalsContact C-N 3.33Å; V120-K122 HydrophobicContact CG1-CG 4.06Å; V120-K122 PolarHBondContact O-N 3.5Å
121C28.4Very low28.7Very low44 Ų4493.7 Ų93.730%0.29756%0.555SS.*EExtended strand (participates in β ladder)trans-68.892.2168.1-68.60000108.9T119 T123T119-C121 PolarHBondContact O-N 3.04Å; C121-T123 PolarHBondContact O-N 2.88Å
122K29.5Very low28.3Very low47 Ų4797.6 Ų97.620%0.20457%0.569CS.*EExtended strand (participates in β ladder)trans-80.1107.6161.7-75.5-164.9177.7-1690107.3S65 V120 D124 I151S65-K122 PolarHBondContact OG-NZ 3.46Å; V120-K122 VanDerWaalsContact C-N 3.33Å; V120-K122 HydrophobicContact CG1-CG 4.06Å; V120-K122 PolarHBondContact O-N 3.5Å; K122-D124 PolarHBondContact O-N 3.16Å; K122-I151 PolarHBondContact O-N 3.38Å; K122-I151 VanDerWaalsContact O-N 3.14Å
123T28.5Very low27.7Very low52 Ų5297 Ų9732%0.31958%0.582SS.*EExtended strand (participates in β ladder)trans-89.692.9168.3-38.40000106.5C121 I125 V148C121-T123 PolarHBondContact O-N 2.88Å; T123-I125 PolarHBondContact O-N 3.42Å; T123-V148 HydrophobicContact CG2-CG1 4.08Å
124D27.6Very low27.3Very low94 Ų9498.8 Ų98.850%0.50360%0.597SS.*  trans-75.7111.3165.9-96.5-31.8000107.3K122 G126 I151K122-D124 PolarHBondContact O-N 3.16Å; D124-G126 PolarHBondContact O-N 3.2Å; D124-I151 HydrophobicContact CB-CD1 3.93Å; D124-I151 WeakPolarHBondContact OD2-CD1 3.47Å
125I28.3Very low26.9Very low148 Ų148101.8 Ų101.876%0.75959%0.592SS**  trans-7672.5164.4-55.1175.9000106.2T123 A127T123-I125 PolarHBondContact O-N 3.42Å; I125-A127 PolarHBondContact O-N 3.36Å; I125-A127 VanDerWaalsContact O-N 3.16Å
126G26.5Very low26.4Very low43 Ų4397.9 Ų97.944%0.44358%0.581SS.*  trans-69.9103.1166.100000107.9D124 N128D124-G126 PolarHBondContact O-N 3.2Å; G126-N128 PolarHBondContact O-N 2.98Å
127A26.1Very low26.1Very low96 Ų96107.1 Ų107.179%0.79361%0.609SS**  trans-71.967.3167.100000109.6I125 S129I125-A127 PolarHBondContact O-N 3.36Å; I125-A127 VanDerWaalsContact O-N 3.16Å; A127-S129 PolarHBondContact O-N 3.42Å
128N24.5Very low26Very low145 Ų145105.7 Ų105.778%0.77561%0.611SS**  trans-90.687.8170.7-77-8.9000108.3G126 V130G126-N128 PolarHBondContact O-N 2.98Å; N128-V130 PolarHBondContact O-N 3.26Å
129S24.6Very low25.7Very low93 Ų93105.5 Ų105.565%0.6562%0.618SS**  trans-92.594.9165.654.70000109.6A127A127-S129 PolarHBondContact O-N 3.42Å
130V23.2Very low25.5Very low138 Ų138109.9 Ų109.984%0.83663%0.633SS**  trans-75.2126.2156.7178.20000107.1N128N128-V130 PolarHBondContact O-N 3.26Å
131Y22.5Very low25.2Very low211 Ų211113.5 Ų113.583%0.82766%0.656SS**  trans-97.7133.5173.3-84.3-93.9000109.8
132D25.8Very low25.1Very low170 Ų170120.2 Ų120.291%0.90968%0.675SS**  trans-141.1144157-157.3-3.3000111.5
133G22.8Very low24.9Very low66 Ų66122.1 Ų122.168%0.6868%0.684SS**  trans-80-163.7-159.600000115.6
134S22.5Very low24.8Very low93 Ų93128.8 Ų128.865%0.6571%0.712SS**  cis-1661743.353.10000105.9
135F24.9Very low24.7Very low164 Ų164134.2 Ų134.272%0.71973%0.725SS**  trans167160.2133.9-107.4-95.6000115.9
136A22.7Very low24.5Very low72 Ų72134.6 Ų134.660%0.59573%0.728SS**  trans-64.6164.9-170.200000116.6G138A136-G138 PolarHBondContact O-N 3.14Å
137R23.7Very low24.5Very low252 Ų252140.7 Ų140.795%0.95174%0.739SS**THydrogen-bonded Turntrans-18.5113.7167.5-66175.2172.4-173.2-2.8114.7
138G24.8Very low24.6Very low71 Ų71139.2 Ų139.273%0.73272%0.72SS**THydrogen-bonded Turntrans144.8-53.4154.500000115.1A136A136-G138 PolarHBondContact O-N 3.14Å
139T23Very low24.7Very low115 Ų115133.3 Ų133.371%0.70669%0.693SS**  trans-176121.8-173.532.30000107.3
140H25.9Very low24.9Very low154 Ų154130.1 Ų130.171%0.71367%0.67SS**  trans-164.6136.1146-86.2-58000112.5
141T23.3Very low25.1Very low115 Ų115127.6 Ų127.671%0.70665%0.651SS**  trans-65.7145.5175420000113
142W25.9Very low25.3Very low186 Ų186120.4 Ų120.471%0.70563%0.631SS**  trans-112.9123.2176.7-60.164.3000109.2K270W142-K270 VanDerWaalsContact CH2-NZ 3.35Å; W142-K270 HydrophobicContact CZ2-CD 4.06Å
143Q25.7Very low25.5Very low86 Ų86118.5 Ų118.540%0.40261%0.614SS.*PPolyproline II helixtrans-100.3127.7173.2-75.3-178.6-19.600109.1M188 S190Q143-M188 HydrophobicContact CG-CE 3.68Å; Q143-M188 HydrophobicContact CG-SD 3.98Å; Q143-M188 PolarHBondContact NE2-SD 3.32Å; Q143-M188 VanDerWaalsContact NE2-SD 3.44Å; Q143-S190 PolarHBondContact NE2-OG 3.14Å
144H26.1Very low25.6Very low192 Ų192119.1 Ų119.189%0.88961%0.608SS**PPolyproline II helixtrans-84.3119.8163.2-74.7-81.6000108.2
145R25.5Very low25.7Very low208 Ų208120.7 Ų120.779%0.78561%0.609SS**PPolyproline II helixtrans-96.2120.6165-72.9-177.3173.8171.8-3.8108.4
146L25.5Very low25.7Very low156 Ų156117.1 Ų117.182%0.81760%0.601SS**  trans-90.9112.9168.5-131.4136.7000106.1V148L146-V148 HydrophobicContact CD2-CG2 4.12Å; L146-V148 PolarHBondContact O-N 3.34Å
147Y25.6Very low25.8Very low172 Ų172119.2 Ų119.268%0.67562%0.619SS**  trans-85.7104.5173.7-147.7-93.3000107.8G149 A168Y147-G149 PolarHBondContact O-N 3.47Å; Y147-A168 WeakPolarHBondContact OH-CB 3.42Å
148V27.4Very low25.9Very low64 Ų64110.2 Ų110.239%0.38859%0.594SS.*  trans-91.894.5165.1-1780000105.6T123 L146 T150T123-V148 HydrophobicContact CG2-CG1 4.08Å; L146-V148 HydrophobicContact CD2-CG2 4.12Å; L146-V148 PolarHBondContact O-N 3.34Å; V148-T150 PolarHBondContact O-N 2.99Å
149G26.7Very low25.8Very low22 Ų22115.5 Ų115.523%0.22761%0.605CS.*  trans-75.6111.1168.900000108.6Y147 I151Y147-G149 PolarHBondContact O-N 3.47Å; G149-I151 PolarHBondContact O-N 3.23Å
150T28.5Very low25.8Very low26 Ų26116.7 Ų116.716%0.1661%0.607CS.*EExtended strand (participates in β ladder)trans-82.2113.2167-31.90000106.8V148 C152V148-T150 PolarHBondContact O-N 2.99Å; T150-C152 PolarHBondContact O-N 3.29Å
151I27.5Very low25.7Very low84 Ų84115.6 Ų115.643%0.43161%0.611SS.*EExtended strand (participates in β ladder)trans-87.8100.6171.6-57.9178.5000106.7K122 D124 G149 K153K122-I151 PolarHBondContact O-N 3.38Å; K122-I151 VanDerWaalsContact O-N 3.14Å; D124-I151 HydrophobicContact CB-CD1 3.93Å; D124-I151 WeakPolarHBondContact OD2-CD1 3.47Å; G149-I151 PolarHBondContact O-N 3.23Å; I151-K153 PolarHBondContact O-N 3.25Å
152C28.5Very low25.9Very low60 Ų60113.9 Ų113.941%0.40560%0.603SS.*EExtended strand (participates in β ladder)trans-78.3108.6167.9-67.40000107.9T150T150-C152 PolarHBondContact O-N 3.29Å
153K28.2Very low26Very low131 Ų131111.4 Ų111.457%0.5761%0.608SS**EExtended strand (participates in β ladder)trans-86.2108.7170.8-151.8-179.6-173.8-170.60107.2I151I151-K153 PolarHBondContact O-N 3.25Å
154S24.8Very low26.1Very low78 Ų78114.1 Ų114.155%0.54562%0.621SS.*  trans-71133.6168.260.10000108.8T156S154-T156 VanDerWaalsContact C-N 3.26Å; S154-T156 PolarHBondContact O-N 3.36Å
155N24.8Very low26.1Very low127 Ų127109.5 Ų109.568%0.67961%0.611SS**  trans-82.176.8178-154.16.3000108.8E118E118-N155 PolarHBondContact OE2-ND2 3.26Å
156T24.6Very low26.1Very low88 Ų88105.9 Ų105.954%0.5461%0.607SS.*  trans-109.3129.5162.347.20000108.3S154 S158S154-T156 VanDerWaalsContact C-N 3.26Å; S154-T156 PolarHBondContact O-N 3.36Å; T156-S158 PolarHBondContact O-N 3.29Å
157A26Very low26.2Very low117 Ų117100.5 Ų100.597%0.96758%0.582SS**SBendtrans-65.146.3-178.300000114.4
158S24.7Very low26.3Very low63 Ų6394.9 Ų94.944%0.44157%0.571SS.*SBendtrans-136.4134.6176.158.40000109T156 L160T156-S158 PolarHBondContact O-N 3.29Å; S158-L160 PolarHBondContact O-N 3.2Å
159N23.4Very low26.4Very low181 Ų18198.7 Ų98.797%0.96858%0.582SS**  trans-67.737.9-179-78.7-29.7000113.9
160L23.6Very low26.4Very low141 Ų141105.2 Ų105.274%0.73861%0.607SS**  trans-108.6102-178.7-82.7151.6000109.2S158 S162S158-L160 PolarHBondContact O-N 3.2Å; L160-S162 PolarHBondContact O-N 2.99Å; L160-S162 VanDerWaalsContact O-N 3.1Å
161V24.6Very low26.4Very low130 Ų130106.7 Ų106.779%0.78862%0.618SS**  trans-69.198.7162.7178.50000106.7V163V161-V163 HydrophobicContact CG1-CG2 4.49Å
162S26.4Very low26.3Very low79 Ų79109.5 Ų109.555%0.55263%0.627SS**  trans-86.3113.9165.758.30000108.5L160 Q164L160-S162 PolarHBondContact O-N 2.99Å; L160-S162 VanDerWaalsContact O-N 3.1Å; S162-Q164 PolarHBondContact O-N 2.99Å; S162-Q164 VanDerWaalsContact O-N 3.09Å
163V27.8Very low26.3Very low134 Ų134111.5 Ų111.581%0.81264%0.637SS**  trans-74.993.5167.2-179.30000106.4V161 S165V161-V163 HydrophobicContact CG1-CG2 4.49Å; V163-S165 PolarHBondContact O-N 3.14Å
164Q28.3Very low26.2Very low143 Ų143110.4 Ų110.467%0.66864%0.643SS**  trans-75.9115.1168-81-172.2-21.900108.7S162 D166S162-Q164 PolarHBondContact O-N 2.99Å; S162-Q164 VanDerWaalsContact O-N 3.09Å; Q164-D166 PolarHBondContact O-N 2.87Å; Q164-D166 VanDerWaalsContact O-N 3.15Å
165S26.4Very low26.3Very low96 Ų96113.1 Ų113.167%0.67166%0.656SS**G310 helixtrans-60.5-16.917648.60000113.8V163V163-S165 PolarHBondContact O-N 3.14Å
166D25.3Very low26.3Very low132 Ų132113 Ų11371%0.70667%0.665SS**G310 helixtrans-96.94.8-165.1-59.6-8.6000113.6Q164 A168Q164-D166 PolarHBondContact O-N 2.87Å; Q164-D166 VanDerWaalsContact O-N 3.15Å; D166-A168 PolarHBondContact O-N 3.3Å
167C27.3Very low26.4Very low43 Ų43111 Ų11129%0.29166%0.662SS.*G310 helixtrans-84.710.8173.4-106.60000114.3K169C167-K169 PolarHBondContact O-N 2.95Å
168A28.2Very low26.3Very low54 Ų54111.1 Ų111.145%0.44665%0.654SS.*  trans-78.958.7169.200000111.1Y147 D166Y147-A168 WeakPolarHBondContact OH-CB 3.42Å; D166-A168 PolarHBondContact O-N 3.3Å
169K29.4Very low26.4Very low143 Ų143112.5 Ų112.562%0.62267%0.668SS**  trans-93.1117.8165-73.1-174-177.7172.80108.1C167 C171C167-K169 PolarHBondContact O-N 2.95Å; K169-C171 PolarHBondContact O-N 3.46Å; K169-C171 VanDerWaalsContact O-N 3.16Å
170E27.1Very low26.5Very low159 Ų159109.6 Ų109.674%0.74366%0.663SS**  trans-53.3115-179.4-66-179.815600110.7F172E170-F172 HydrophobicContact CB-CE2 4.36Å; E170-F172 PolarHBondContact O-N 2.85Å
171C27.5Very low26.5Very low58 Ų58107 Ų10739%0.39265%0.649SS.*  trans-75.4109.2170.3-74.30000109.2K169K169-C171 PolarHBondContact O-N 3.46Å; K169-C171 VanDerWaalsContact O-N 3.16Å
172F26.5Very low26.4Very low143 Ų143106.4 Ų106.463%0.62764%0.642SS**  trans-78.3124.9167.5-84.8-95.6000109.7E170 P174 V189E170-F172 HydrophobicContact CB-CE2 4.36Å; E170-F172 PolarHBondContact O-N 2.85Å; F172-P174 WeakPolarHBondContact O-CD 3.14Å; F172-V189 HydrophobicContact CE1-CG2 4.38Å
173V27.8Very low26.3Very low101 Ų101110.6 Ų110.661%0.61265%0.65SS**  trans-100.598.8170.7-178.20000108.2V175V173-V175 HydrophobicContact CG1-CG2 4.32Å; V173-V175 PolarHBondContact O-N 2.78Å
174P25.9Very low25.9Very low108 Ų108113.3 Ų113.370%0.70165%0.647SS**  trans-70.7117.8166.627.6-30.6000108.9F172F172-P174 WeakPolarHBondContact O-CD 3.14Å
175V27.2Very low25.6Very low135 Ų135114.3 Ų114.382%0.81865%0.652SS**  trans-89.4102.8171.7-177.90000107.8V173V173-V175 HydrophobicContact CG1-CG2 4.32Å; V173-V175 PolarHBondContact O-N 2.78Å
176S24.5Very low25.5Very low124 Ų124116.6 Ų116.687%0.86766%0.657SS**  trans-91.4111.717056.10000110.1
177G27.5Very low25.3Very low46 Ų46116.3 Ų116.347%0.47466%0.66SS.*  trans-137158.1173.400000111
178P23.7Very low25.1Very low121 Ų121119.5 Ų119.579%0.78667%0.671SS**  trans-68.2136.3-173.325.1-32.7000113.4S180P178-S180 VanDerWaalsContact C-N 3.31Å; P178-S180 PolarHBondContact O-N 2.99Å
179A26.1Very low24.8Very low91 Ų91121.6 Ų121.675%0.75268%0.678SS**SBendtrans-59.780.3177.100000114.1D181A179-D181 VanDerWaalsContact C-N 3.35Å; A179-D181 WeakPolarHBondContact CA-OD2 3.34Å; A179-D181 WeakPolarHBondContact CB-OD2 3.47Å
180S24.9Very low24.4Very low121 Ų121117.7 Ų117.785%0.84667%0.669SS**  trans-116.344.4133.247.70000108.1P178 N182P178-S180 VanDerWaalsContact C-N 3.31Å; P178-S180 PolarHBondContact O-N 2.99Å; S180-N182 PolarHBondContact O-N 3.08Å
181D23.6Very low24.1Very low86 Ų86113.4 Ų113.446%0.4667%0.668SS.*  trans-63.9100.6-177.9-74.3-33.8000111.1A179 F183A179-D181 VanDerWaalsContact C-N 3.35Å; A179-D181 WeakPolarHBondContact CA-OD2 3.34Å; A179-D181 WeakPolarHBondContact CB-OD2 3.47Å; D181-F183 HydrophobicContact CB-CB 4.36Å; D181-F183 HydrophobicContact CB-CD2 3.95Å; D181-F183 PolarHBondContact O-N 3.28Å; D181-F183 VanDerWaalsContact O-N 3.1Å
182N23.6Very low23.8Very low118 Ų118115.2 Ų115.263%0.63169%0.687SS**  trans-7784148.4-93.67.7000107.8S180 Y184 E229S180-N182 PolarHBondContact O-N 3.08Å; N182-Y184 PolarHBondContact O-N 3.26Å; N182-E229 WeakPolarHBondContact CB-OE1 2.83Å; N182-E229 PolarHBondContact ND2-OE1 3.01Å
183F23.1Very low23.6Very low166 Ų166115.1 Ų115.173%0.72870%0.697SS**  trans-82.774.2174.8-134.8-88.9000108.8D181D181-F183 HydrophobicContact CB-CB 4.36Å; D181-F183 HydrophobicContact CB-CD2 3.95Å; D181-F183 PolarHBondContact O-N 3.28Å; D181-F183 VanDerWaalsContact O-N 3.1Å
184Y20.5Very low23.3Very low191 Ų191114.6 Ų114.675%0.74970%0.704SS**  trans-143.1125.5171.4-74.3-76.1000112.8N182N182-Y184 PolarHBondContact O-N 3.26Å
185E21.5Very low23.1Very low165 Ų165121.5 Ų121.577%0.77172%0.716SS**SBendtrans7879.2153-64.8-178.1163.500119.3
186N24.3Very low22.8Very low144 Ų144119.7 Ų119.777%0.7771%0.71SS**  151.273.4111-76.7-47.8000111.3M188N186-M188 PolarHBondContact O-N 3.16Å
187V21.6Very low22.7Very low126 Ų126122.4 Ų122.476%0.76471%0.708SS**  trans-66.9101.3147.5175.70000106.6V189V187-V189 HydrophobicContact CG1-CB 4.05Å; V187-V189 HydrophobicContact CG1-CG2 3.37Å
188M22.3Very low22.5Very low109 Ų109124.8 Ų124.854%0.53772%0.724SS.*  trans-9384.8155-96.2-157.3-69.100108Q143 N186Q143-M188 HydrophobicContact CG-CE 3.68Å; Q143-M188 HydrophobicContact CG-SD 3.98Å; Q143-M188 PolarHBondContact NE2-SD 3.32Å; Q143-M188 VanDerWaalsContact NE2-SD 3.44Å; N186-M188 PolarHBondContact O-N 3.16Å
189V21.8Very low22.4Very low98 Ų98124.2 Ų124.259%0.59472%0.723SS**  trans-79.3119.7153.7168.20000106.4F172 V187F172-V189 HydrophobicContact CE1-CG2 4.38Å; V187-V189 HydrophobicContact CG1-CB 4.05Å; V187-V189 HydrophobicContact CG1-CG2 3.37Å
190S22.5Very low22.2Very low62 Ų62129 Ų12943%0.43473%0.729SS.*  trans-150.7117.1162.5670000107.3Q143Q143-S190 PolarHBondContact NE2-OG 3.14Å
191G20.7Very low22Very low69 Ų69130.4 Ų130.471%0.71173%0.733SS**  cis163.9124.23.500000107.6
192A20.7Very low21.8Very low96 Ų96130.8 Ų130.879%0.79374%0.742SS**  trans149106.5161.800000105.2
193V22.3Very low21.6Very low140 Ų140131.7 Ų131.785%0.84875%0.752SS**SBend-167.814467.6169.60000110
194A21.9Very low21.5Very low91 Ų91129.1 Ų129.175%0.75275%0.754SS**  trans56.5116161.400000122.3
195R20.9Very low21.6Very low252 Ų252128.3 Ų128.395%0.95176%0.758SS**  trans-87.6106.5157.9-80.3179.3171.4177.8-2.6109.9
196S21.2Very low21.5Very low98 Ų98129.3 Ų129.369%0.68576%0.762SS**  trans176.596.7153.353.70000105.9
197E23.1Very low21.3Very low180 Ų180127.7 Ų127.784%0.84176%0.762SS**  176.7124.291.6-84.9164.6178.300104.6
198A21.7Very low21.2Very low97 Ų97133.5 Ų133.580%0.80277%0.77SS**  29114112.300000113.4
199S21.8Very low21.2Very low109 Ų109137.3 Ų137.376%0.76278%0.783SS**  -172.1130.587.551.10000114.1
200Q21.6Very low21.1Very low190 Ų190142.3 Ų142.389%0.88880%0.798SS**  trans-8.4131.1146.6-66167.3-25.600118.1
201V20.8Very low21.1Very low151 Ų151147.5 Ų147.592%0.91582%0.815SS**  trans-144.6135.1139.2-174.60000109.7
202S19.9Very low21.1Very low95 Ų95151.9 Ų151.966%0.66482%0.821SS**  trans-123.8156.8-169.9560000112.4
203V20.4Very low21.1Very low136 Ų136152.2 Ų152.282%0.82482%0.815SS**  trans78.4138.3156-147.60000115
204S20.9Very low21.1Very low112 Ų112151.2 Ų151.278%0.78382%0.815SS**  -166152.352.858.50000116.3
205E21Very low21Very low175 Ų175152.4 Ų152.482%0.81881%0.813SS**  trans-70135.8171-64.317313400112.1
206H19.8Very low21.1Very low185 Ų185149.8 Ų149.886%0.85681%0.808SS**  trans163.5111148.7-83.5-2.5000106.7
207S21.1Very low21Very low111 Ų111157.1 Ų157.178%0.77682%0.821SS**  168.9142.669.848.30000111.2
208R19.6Very low21.1Very low247 Ų247154.3 Ų154.393%0.93282%0.816SS**  trans61.8107152.5-65.9-174.3178.9-171.10.3121.4
209K20.7Very low21.3Very low189 Ų189154.2 Ų154.282%0.82281%0.808SS**  trans-37.2133158.4-71.5173.5169.5-177.50115.5
210F20.4Very low21.6Very low203 Ų203156.6 Ų156.689%0.8981%0.805SS**  trans-130.8111.5143.9-101.3-89.2000108
211E21.7Very low21.9Very low171 Ų171150.5 Ų150.580%0.79979%0.793SS**  trans-89129.7166.9-79.4178166.400108.9
212L20.8Very low22.6Very low161 Ų161148.2 Ų148.284%0.84378%0.775SS**  trans-141.7150.8160.9-86.7171.7000109.6
213P21.3Very low23.3Very low103 Ų103153.8 Ų153.867%0.66979%0.787SS**  trans-97155-131.835.8-36000114.8V215P213-V215 PolarHBondContact O-N 3.39Å
214S22.4Very low24.2Very low119 Ų119149.5 Ų149.583%0.83276%0.763SS**  trans-56.991.8169.152.50000113.8
215V20.5Very low24.8Very low117 Ų117146.1 Ų146.171%0.70975%0.746SS**  trans-149.381.7162.4-1670000112P213P213-V215 PolarHBondContact O-N 3.39Å
216F22Very low25.5Very low197 Ų197146.9 Ų146.986%0.86474%0.741SS**  trans-14293.9148.8-86.7-79.5000108.9
217R20.2Very low26.3Very low251 Ų251139.7 Ų139.795%0.94771%0.708SS**  trans-86106.3161.6-75.4-176.2176.6-176.7-0107.4
218T25.2Very low27Very low121 Ų121138.9 Ų138.974%0.74271%0.708SS**  trans-87.6134.216038.30000108.8
219P25.6Very low27.9Very low96 Ų96131.5 Ų131.562%0.62368%0.684SS**SBendtrans-74.4144.8175.433.7-31.2000107.7
220F26.7Very low28.7Very low159 Ų159123.2 Ų123.270%0.69765%0.652SS**SBendtrans86.784.1176.6-41.8-70.6000116.9L222 K415F220-L222 PolarHBondContact O-N 2.94Å; F220-L222 VanDerWaalsContact O-N 3.15Å; F220-K415 VanDerWaalsContact CZ-NZ 3.32Å
221G28.2Very low29.4Very low62 Ų62117.1 Ų117.164%0.63965%0.647SS**  83.7-3.5122.400000120.7K223G221-K223 PolarHBondContact O-N 3.35Å
222L36.4Very low30.1Very low102 Ų102112.3 Ų112.353%0.53463%0.629SS.*  trans-94.269.7175-65.6174.5000111F220 F227F220-L222 PolarHBondContact O-N 2.94Å; F220-L222 VanDerWaalsContact O-N 3.15Å; L222-F227 HydrophobicContact CD1-CD1 4.23Å; L222-F227 HydrophobicContact CD1-CG 4.49Å; L222-F227 HydrophobicContact CD2-CB 4.4Å; L222-F227 HydrophobicContact CD2-CD1 4.1Å; L222-F227 HydrophobicContact CD2-CD2 3.6Å; L222-F227 HydrophobicContact CD2-CE1 4.23Å; L222-F227 HydrophobicContact CD2-CE2 3.78Å; L222-F227 HydrophobicContact CD2-CG 3.75Å; L222-F227 HydrophobicContact CD2-CZ 4.05Å
223K33.1Very low30.7Very low212 Ų212109.1 Ų109.192%0.92262%0.618SS**  trans-100.317.5172.3-77.4-166.1178.2-174.70113.4G221G221-K223 PolarHBondContact O-N 3.35Å
224S39.9Very low31.2Very low47 Ų47108.5 Ų108.533%0.32962%0.615SS.*  trans-101.8124.7174.3660000110.2R226 F227S224-R226 PolarHBondContact O-N 2.88Å; S224-F227 PolarHBondContact O-N 2.91Å
225G34.6Very low31.8Very low41 Ų41105.4 Ų105.442%0.42359%0.591SS.*Hα-helixtrans-49.6-24.2173.700000114F227 A228 E229G225-F227 PolarHBondContact O-N 3.06Å; G225-F227 VanDerWaalsContact O-N 3.12Å; G225-A228 WeakPolarHBondContact O-CB 3.05Å; G225-A228 PolarHBondContact O-N 3.15Å; G225-E229 PolarHBondContact O-N 2.9Å; G225-E229 VanDerWaalsContact O-N 3.16Å
226R35.4Very low32.4Very low190 Ų190101.6 Ų101.672%0.71757%0.57SS**Hα-helixtrans-56-25.4174.7-67.1-169.3174.8-171.7-2.5116.1S224 L239S224-R226 PolarHBondContact O-N 2.88Å; R226-L239 WeakPolarHBondContact O-CD1 3.41Å
227F36.7Very low33.2Very low34 Ų3496.9 Ų96.915%0.14955%0.554CS.*Hα-helixtrans-86.4-26.3175.8-105.7-92.9000112.9L222 S224 G225 E229 L239 Q243L222-F227 HydrophobicContact CD1-CD1 4.23Å; L222-F227 HydrophobicContact CD1-CG 4.49Å; L222-F227 HydrophobicContact CD2-CB 4.4Å; L222-F227 HydrophobicContact CD2-CD1 4.1Å; L222-F227 HydrophobicContact CD2-CD2 3.6Å; L222-F227 HydrophobicContact CD2-CE1 4.23Å; L222-F227 HydrophobicContact CD2-CE2 3.78Å; L222-F227 HydrophobicContact CD2-CG 3.75Å; L222-F227 HydrophobicContact CD2-CZ 4.05Å; S224-F227 PolarHBondContact O-N 2.91Å; G225-F227 PolarHBondContact O-N 3.06Å; G225-F227 VanDerWaalsContact O-N 3.12Å; F227-E229 VanDerWaalsContact C-N 3.29Å; F227-L239 HydrophobicContact CD2-CB 4.31Å; F227-L239 HydrophobicContact CE1-CB 4.05Å; F227-L239 HydrophobicContact CE2-CB 3.63Å; F227-L239 HydrophobicContact CZ-CB 3.53Å; F227-Q243 HydrophobicContact CE2-CG 4.22Å; F227-Q243 VanDerWaalsContact CE2-NE2 3.27Å
228A36Very low34.2Very low95 Ų9590.5 Ų90.579%0.78554%0.538SS*.Hα-helixtrans-74.4-25.3173.100000111.6G225 G230G225-A228 WeakPolarHBondContact O-CB 3.05Å; G225-A228 PolarHBondContact O-N 3.15Å; A228-G230 VanDerWaalsContact C-N 3.35Å
229E38.1Very low34.8Very low91 Ų9187.2 Ų87.243%0.42552%0.515SS..SBendtrans-82.4-7.7175.9-71.1160.9-169.300113.6N182 G225 F227 G231N182-E229 WeakPolarHBondContact CB-OE1 2.83Å; N182-E229 PolarHBondContact ND2-OE1 3.01Å; G225-E229 PolarHBondContact O-N 2.9Å; G225-E229 VanDerWaalsContact O-N 3.16Å; F227-E229 VanDerWaalsContact C-N 3.29Å; E229-G231 VanDerWaalsContact C-N 3.26Å; E229-G231 PolarHBondContact O-N 3.16Å
230G36.4Very low35.7Very low15 Ų1589 Ų8916%0.15551%0.511CS..  trans-70.977174.100000111.4A228 T232 S236A228-G230 VanDerWaalsContact C-N 3.35Å; G230-T232 PolarHBondContact O-N 3.15Å; G230-S236 PolarHBondContact O-OG 2.95Å
231G37Very low36.3Very low76 Ų7686.5 Ų86.578%0.78450%0.504SS*.  trans-62.80.2-171.200000116.3E229E229-G231 VanDerWaalsContact C-N 3.26Å; E229-G231 PolarHBondContact O-N 3.16Å
232T36Very low36.9Very low69 Ų6986.2 Ų86.242%0.42349%0.492SS..SBendtrans-141.7154.9176.961.80000112.9G230 C234 T235 S236G230-T232 PolarHBondContact O-N 3.15Å; T232-C234 PolarHBondContact O-N 3.04Å; T232-T235 PolarHBondContact N-OG1 3.29Å; T232-T235 PolarHBondContact O-N 3.33Å; T232-T235 VanDerWaalsContact O-N 3.08Å; T232-T235 PolarHBondContact O-OG1 3Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.47Å; T232-T235 PolarHBondContact OG1-N 3.09Å; T232-T235 PolarHBondContact OG1-OG1 3.33Å; T232-S236 PolarHBondContact O-N 3.24Å; T232-S236 PolarHBondContact O-OG 3.43Å
233P33.6Very low37.2Very low95 Ų9584 Ų8462%0.61748%0.479SS*.Hα-helixtrans-54.3-38.8172.9-25.734.1000112.9T235 S236 D237P233-T235 PolarHBondContact O-N 3.15Å; P233-S236 WeakPolarHBondContact O-CB 3.32Å; P233-S236 PolarHBondContact O-N 2.78Å; P233-D237 WeakPolarHBondContact O-CB 3.47Å; P233-D237 VanDerWaalsContact O-CG 3.28Å; P233-D237 PolarHBondContact O-N 3.37Å
234C31.6Very low37.4Very low89 Ų8977.4 Ų77.460%0.60145%0.454SS*.Hα-helixtrans-65.2-37.7176.9-62.20000113T232 L238T232-C234 PolarHBondContact O-N 3.04Å; C234-L238 WeakPolarHBondContact O-CB 3.32Å; C234-L238 VanDerWaalsContact O-CG 3.25Å; C234-L238 WeakPolarHBondContact O-CG 3.39Å; C234-L238 PolarHBondContact O-N 2.98Å
235T34.7Very low37.4Very low54 Ų5478 Ų7833%0.33146%0.458SS..Hα-helixtrans-73.1-35.8176.547.70000111.3T232 P233 L238 L239T232-T235 PolarHBondContact N-OG1 3.29Å; T232-T235 PolarHBondContact O-N 3.33Å; T232-T235 VanDerWaalsContact O-N 3.08Å; T232-T235 PolarHBondContact O-OG1 3Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.47Å; T232-T235 PolarHBondContact OG1-N 3.09Å; T232-T235 PolarHBondContact OG1-OG1 3.33Å; P233-T235 PolarHBondContact O-N 3.15Å; T235-L238 PolarHBondContact O-N 3.03Å; T235-L239 VanDerWaalsContact O-CB 3.31Å; T235-L239 WeakPolarHBondContact O-CB 3.48Å; T235-L239 WeakPolarHBondContact O-CD1 3.33Å; T235-L239 WeakPolarHBondContact O-CG 3.46Å; T235-L239 PolarHBondContact O-N 3.44Å
236S33.7Very low37.5Very low38 Ų3880.5 Ų80.527%0.26647%0.469SS..Hα-helixtrans-63-42.3171.9-600000112G230 T232 P233 L239 Y240G230-S236 PolarHBondContact O-OG 2.95Å; T232-S236 PolarHBondContact O-N 3.24Å; T232-S236 PolarHBondContact O-OG 3.43Å; P233-S236 WeakPolarHBondContact O-CB 3.32Å; P233-S236 PolarHBondContact O-N 2.78Å; S236-L239 PolarHBondContact O-N 2.93Å; S236-Y240 VanDerWaalsContact O-CB 3.26Å; S236-Y240 WeakPolarHBondContact O-CB 3.4Å; S236-Y240 PolarHBondContact O-N 3.38Å
237D38.5Very low37.6Very low97 Ų9780.5 Ų80.552%0.51947%0.469SS..Hα-helixtrans-69.5-39177.4-74.5-18.4000112.3P233 Y240 L241P233-D237 WeakPolarHBondContact O-CB 3.47Å; P233-D237 VanDerWaalsContact O-CG 3.28Å; P233-D237 PolarHBondContact O-N 3.37Å; D237-Y240 PolarHBondContact O-N 3Å; D237-L241 WeakPolarHBondContact O-CB 3.2Å; D237-L241 VanDerWaalsContact O-CG 3.25Å; D237-L241 WeakPolarHBondContact O-CG 3.31Å; D237-L241 PolarHBondContact O-N 2.96Å
238L40.3Very low37.4Very low117 Ų11782.4 Ų82.461%0.61348%0.48SS*.Hα-helixtrans-67.1-39.3174.1-76.4168.5000112.2C234 T235 Y240 S242C234-L238 WeakPolarHBondContact O-CB 3.32Å; C234-L238 VanDerWaalsContact O-CG 3.25Å; C234-L238 WeakPolarHBondContact O-CG 3.39Å; C234-L238 PolarHBondContact O-N 2.98Å; T235-L238 PolarHBondContact O-N 3.03Å; L238-Y240 VanDerWaalsContact C-N 3.31Å; L238-S242 VanDerWaalsContact O-CB 3.28Å; L238-S242 WeakPolarHBondContact O-CB 3.45Å; L238-S242 PolarHBondContact O-N 3.32Å; L238-S242 PolarHBondContact O-OG 3.46Å
239L39.4Very low37.4Very low52 Ų5281.1 Ų81.127%0.27247%0.47SS..Hα-helixtrans-66.3-36.3173.6-74.2168.3000111.2R226 F227 T235 S236 S242 Q243R226-L239 WeakPolarHBondContact O-CD1 3.41Å; F227-L239 HydrophobicContact CD2-CB 4.31Å; F227-L239 HydrophobicContact CE1-CB 4.05Å; F227-L239 HydrophobicContact CE2-CB 3.63Å; F227-L239 HydrophobicContact CZ-CB 3.53Å; T235-L239 VanDerWaalsContact O-CB 3.31Å; T235-L239 WeakPolarHBondContact O-CB 3.48Å; T235-L239 WeakPolarHBondContact O-CD1 3.33Å; T235-L239 WeakPolarHBondContact O-CG 3.46Å; T235-L239 PolarHBondContact O-N 3.44Å; S236-L239 PolarHBondContact O-N 2.93Å; L239-S242 VanDerWaalsContact CA-OG 3.32Å; L239-S242 WeakPolarHBondContact CA-OG 3.26Å; L239-S242 PolarHBondContact O-OG 3.34Å; L239-Q243 WeakPolarHBondContact O-CB 3.28Å; L239-Q243 WeakPolarHBondContact O-CG 3.38Å; L239-Q243 PolarHBondContact O-N 3.49Å
240Y43Very low37.1Very low135 Ų13580.9 Ų80.953%0.52947%0.469SS..Hα-helixtrans-67.4-48.1175.5-178.7-107.4000111.9S236 D237 L238 S242 Q243 L244S236-Y240 VanDerWaalsContact O-CB 3.26Å; S236-Y240 WeakPolarHBondContact O-CB 3.4Å; S236-Y240 PolarHBondContact O-N 3.38Å; D237-Y240 PolarHBondContact O-N 3Å; L238-Y240 VanDerWaalsContact C-N 3.31Å; Y240-S242 PolarHBondContact O-N 2.85Å; Y240-Q243 PolarHBondContact O-N 2.9Å; Y240-L244 HydrophobicContact CD1-CD1 3.78Å; Y240-L244 HydrophobicContact CE1-CD1 3.34Å; Y240-L244 HydrophobicContact CE1-CG 4.39Å; Y240-L244 HydrophobicContact CE2-CD1 4.31Å; Y240-L244 HydrophobicContact CG-CD1 4.42Å; Y240-L244 WeakPolarHBondContact O-CG 3.41Å; Y240-L244 PolarHBondContact O-N 3.46Å
241L40.2Very low37Very low105 Ų10586.3 Ų86.355%0.5549%0.49SS..Hα-helixtrans-65.3-36.1177.6-71.5169.4000112.6D237 S245D237-L241 WeakPolarHBondContact O-CB 3.2Å; D237-L241 VanDerWaalsContact O-CG 3.25Å; D237-L241 WeakPolarHBondContact O-CG 3.31Å; D237-L241 PolarHBondContact O-N 2.96Å; L241-S245 PolarHBondContact O-N 2.92Å
242S41Very low36.6Very low56 Ų5684.8 Ų84.839%0.39247%0.466SS..Hα-helixtrans-72.1-35.1175.258.60000112.9L238 L239 Y240 S245 S246L238-S242 VanDerWaalsContact O-CB 3.28Å; L238-S242 WeakPolarHBondContact O-CB 3.45Å; L238-S242 PolarHBondContact O-N 3.32Å; L238-S242 PolarHBondContact O-OG 3.46Å; L239-S242 VanDerWaalsContact CA-OG 3.32Å; L239-S242 WeakPolarHBondContact CA-OG 3.26Å; L239-S242 PolarHBondContact O-OG 3.34Å; Y240-S242 PolarHBondContact O-N 2.85Å; S242-S245 PolarHBondContact O-N 2.84Å; S242-S245 PolarHBondContact O-OG 3.11Å; S242-S245 VanDerWaalsContact O-OG 3.11Å; S242-S246 WeakPolarHBondContact O-CB 3.25Å; S242-S246 PolarHBondContact O-N 3.32Å; S242-S246 PolarHBondContact O-OG 3.46Å
243Q42.3Very low36.5Very low56 Ų5688.6 Ų88.626%0.26247%0.473SS..Hα-helixtrans-67.9-39.9172.4-78.2-170.5-5.700112F227 L239 Y240 S246 R247F227-Q243 HydrophobicContact CE2-CG 4.22Å; F227-Q243 VanDerWaalsContact CE2-NE2 3.27Å; L239-Q243 WeakPolarHBondContact O-CB 3.28Å; L239-Q243 WeakPolarHBondContact O-CG 3.38Å; L239-Q243 PolarHBondContact O-N 3.49Å; Y240-Q243 PolarHBondContact O-N 2.9Å; Q243-S246 WeakPolarHBondContact CA-OG 3.25Å; Q243-S246 PolarHBondContact O-N 2.95Å; Q243-S246 PolarHBondContact O-OG 3.38Å; Q243-R247 WeakPolarHBondContact O-CG 3.37Å; Q243-R247 PolarHBondContact O-N 2.99Å
244L37.5Very low36.4Very low74 Ų7492.6 Ų92.639%0.38748%0.476SS..Hα-helixtrans-61.3-45.3173.8-76.8169.9000111.7Y240 S246 R247 D248Y240-L244 HydrophobicContact CD1-CD1 3.78Å; Y240-L244 HydrophobicContact CE1-CD1 3.34Å; Y240-L244 HydrophobicContact CE1-CG 4.39Å; Y240-L244 HydrophobicContact CE2-CD1 4.31Å; Y240-L244 HydrophobicContact CG-CD1 4.42Å; Y240-L244 WeakPolarHBondContact O-CG 3.41Å; Y240-L244 PolarHBondContact O-N 3.46Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-S246 PolarHBondContact O-N 2.83Å; L244-R247 PolarHBondContact O-N 3.41Å; L244-D248 PolarHBondContact O-N 3.49Å
245S38.7Very low36.4Very low59 Ų5991 Ų9141%0.41347%0.468SS..Hα-helixtrans-69.5-27.7178.475.80000114L241 S242L241-S245 PolarHBondContact O-N 2.92Å; S242-S245 PolarHBondContact O-N 2.84Å; S242-S245 PolarHBondContact O-OG 3.11Å; S242-S245 VanDerWaalsContact O-OG 3.11Å
246S37.6Very low36.3Very low93 Ų9392 Ų9265%0.6547%0.469SS*.Hα-helixtrans-74.9-22.8176.573.30000114S242 Q243 L244S242-S246 WeakPolarHBondContact O-CB 3.25Å; S242-S246 PolarHBondContact O-N 3.32Å; S242-S246 PolarHBondContact O-OG 3.46Å; Q243-S246 WeakPolarHBondContact CA-OG 3.25Å; Q243-S246 PolarHBondContact O-N 2.95Å; Q243-S246 PolarHBondContact O-OG 3.38Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-S246 PolarHBondContact O-N 2.83Å
247R37.8Very low36.1Very low190 Ų19095 Ų9572%0.71749%0.49SS*.Hα-helixtrans-88.1-39.9-178.4-76.8-178177176.73.9112.7Q243 L244Q243-R247 WeakPolarHBondContact O-CG 3.37Å; Q243-R247 PolarHBondContact O-N 2.99Å; L244-R247 PolarHBondContact O-N 3.41Å
248D32.9Very low35.5Very low74 Ų7497.3 Ų97.340%0.39650%0.502SS..  trans-146.4113.1173.5-167.1-29.5000108.3L244 E250 E251 P252L244-D248 PolarHBondContact O-N 3.49Å; D248-E250 PolarHBondContact O-N 3.37Å; D248-E250 PolarHBondContact OD1-N 3.36Å; D248-E251 HydrophobicContact CB-CB 4Å; D248-E251 PolarHBondContact OD1-N 2.93Å; D248-P252 WeakPolarHBondContact O-CD 3.39Å
249A35.8Very low35Very low69 Ų6994.3 Ų94.357%0.5749%0.488SS*.SBendtrans-71.9-19.1-177.400000112.8
250E31.5Very low34.4Very low86 Ų8696.6 Ų96.640%0.40251%0.507SS..SBendtrans-93.6-26.2-175.9-80-65.4128.600113D248 R253 R254D248-E250 PolarHBondContact O-N 3.37Å; D248-E250 PolarHBondContact OD1-N 3.36Å; E250-R253 WeakPolarHBondContact O-CB 3.21Å; E250-R253 PolarHBondContact O-N 3.49Å; E250-R253 IonicContact OE1-CZ 3.96Å; E250-R253 IonicContact OE1-NH1 2.92Å; E250-R253 PolarHBondContact OE1-NH1 2.86Å; E250-R254 WeakPolarHBondContact O-CG 3.48Å; E250-R254 PolarHBondContact O-N 3.16Å
251E33.3Very low33.7Very low129 Ų12998.6 Ų98.660%0.60352%0.523SS*.Hα-helixtrans-67.9-41.4-177.5-157.1158.1-155.700114D248 R253 R254 A255D248-E251 HydrophobicContact CB-CB 4Å; D248-E251 PolarHBondContact OD1-N 2.93Å; E251-R253 VanDerWaalsContact C-N 3.31Å; E251-R253 PolarHBondContact O-N 2.72Å; E251-R254 PolarHBondContact O-N 3.39Å; E251-A255 PolarHBondContact O-N 2.76Å
252P29.3Very low33.4Very low43 Ų43101.2 Ų101.228%0.27953%0.53SS..Hα-helixtrans-64.4-33.7171.2-17.328.1000112.7D248 A255 Q256D248-P252 WeakPolarHBondContact O-CD 3.39Å; P252-A255 PolarHBondContact O-N 2.81Å; P252-Q256 WeakPolarHBondContact O-CG 3.23Å; P252-Q256 PolarHBondContact O-N 3.48Å
253R33.9Very low32.9Very low150 Ų150105.4 Ų105.457%0.56654%0.537SS*.Hα-helixtrans-66.7-38175.6-77.6-179.7170.5165.2-1.3111.6E250 E251 Q256E250-R253 WeakPolarHBondContact O-CB 3.21Å; E250-R253 PolarHBondContact O-N 3.49Å; E250-R253 IonicContact OE1-CZ 3.96Å; E250-R253 IonicContact OE1-NH1 2.92Å; E250-R253 PolarHBondContact OE1-NH1 2.86Å; E251-R253 VanDerWaalsContact C-N 3.31Å; E251-R253 PolarHBondContact O-N 2.72Å; R253-Q256 WeakPolarHBondContact O-CB 2.97Å; R253-Q256 PolarHBondContact O-N 2.98Å
254R32.4Very low32.4Very low179 Ų179105.8 Ų105.868%0.67554%0.543SS*.Hα-helixtrans-69.7-36.6173.6-71.4178.6-178.5-179.21.1112E250 E251 Q256 S257E250-R254 WeakPolarHBondContact O-CG 3.48Å; E250-R254 PolarHBondContact O-N 3.16Å; E251-R254 PolarHBondContact O-N 3.39Å; R254-Q256 PolarHBondContact O-N 2.95Å; R254-S257 WeakPolarHBondContact O-CB 3.28Å; R254-S257 PolarHBondContact O-N 2.62Å; R254-S257 VanDerWaalsContact O-N 3.09Å; R254-S257 PolarHBondContact O-OG 2.88Å
255A31.8Very low32.4Very low54 Ų54110 Ų11045%0.44656%0.555SS.*Hα-helixtrans-64.6-24.2175.200000113.6E251 P252 S257 L258E251-A255 PolarHBondContact O-N 2.76Å; P252-A255 PolarHBondContact O-N 2.81Å; A255-S257 PolarHBondContact O-N 2.86Å; A255-L258 PolarHBondContact O-N 3.21Å
256Q32.6Very low32.3Very low75 Ų75109.3 Ų109.335%0.3555%0.553SS.*G310 helixtrans-62.2-22.1172.1-68.1176.31600113.3P252 R253 R254 L258 A266P252-Q256 WeakPolarHBondContact O-CG 3.23Å; P252-Q256 PolarHBondContact O-N 3.48Å; R253-Q256 WeakPolarHBondContact O-CB 2.97Å; R253-Q256 PolarHBondContact O-N 2.98Å; R254-Q256 PolarHBondContact O-N 2.95Å; Q256-L258 PolarHBondContact O-N 2.98Å; Q256-A266 HydrophobicContact CG-CB 3.97Å; Q256-A266 PolarHBondContact NE2-O 3.38Å
257S28.7Very low32.6Very low101 Ų101106.4 Ų106.471%0.70653%0.531SS*.G310 helixtrans-72.5-11.7177.970.90000114.1R254 A255R254-S257 WeakPolarHBondContact O-CB 3.28Å; R254-S257 PolarHBondContact O-N 2.62Å; R254-S257 VanDerWaalsContact O-N 3.09Å; R254-S257 PolarHBondContact O-OG 2.88Å; A255-S257 PolarHBondContact O-N 2.86Å
258L26.1Very low32.5Very low146 Ų146102.6 Ų102.676%0.76453%0.533SS*.G310 helixtrans-100.110.3-175.6-74.5163.4000114A255 Q256A255-L258 PolarHBondContact O-N 3.21Å; Q256-L258 PolarHBondContact O-N 2.98Å
259V29.5Very low32.8Very low54 Ų54101.1 Ų101.133%0.32753%0.529SS..SBendtrans-104.4135.7-174.9179.30000110.1M261 R263 Y265V259-M261 PolarHBondContact O-N 3.26Å; V259-M261 VanDerWaalsContact O-N 3.11Å; V259-R263 WeakPolarHBondContact CG1-O 3.5Å; V259-Y265 HydrophobicContact CG1-CD2 3.59Å; V259-Y265 HydrophobicContact CG1-CE2 4.04Å
260P27.1Very low33Very low101 Ų101102.3 Ų102.366%0.65652%0.521SS*.  trans-54.3123.2175.421.3-31.1000110K262 R263P260-K262 PolarHBondContact O-N 3.15Å; P260-R263 PolarHBondContact O-N 3.48Å
261M27.1Very low33.3Very low176 Ų176105.4 Ų105.487%0.86754%0.535SS*.THydrogen-bonded Turntrans-49.6-0.3-172.1-108.6-176.6175.200117.3V259 R276V259-M261 PolarHBondContact O-N 3.26Å; V259-M261 VanDerWaalsContact O-N 3.11Å; M261-R276 PolarHBondContact O-NH1 3.27Å; M261-R276 VanDerWaalsContact O-NH1 3.09Å
262K34.2Very low33.6Very low160 Ų160104.2 Ų104.270%0.69653%0.53SS*.THydrogen-bonded Turntrans-90.5-17.6-178.4-72-173.3174.8-178.10114.6P260P260-K262 PolarHBondContact O-N 3.15Å
263R32Very low34Very low145 Ų145105.9 Ų105.955%0.54754%0.536SS..  trans-139.5117.3170.4-80.2-177175.5179.5-2.3110.5V259 P260 Y265V259-R263 WeakPolarHBondContact CG1-O 3.5Å; P260-R263 PolarHBondContact O-N 3.48Å; R263-Y265 HydrophobicContact CB-CD2 4Å; R263-Y265 HydrophobicContact CB-CE2 3.52Å; R263-Y265 WeakPolarHBondContact O-CD2 3.45Å; R263-Y265 PolarHBondContact O-N 3.39Å
264V30.9Very low34.2Very low63 Ų63102.7 Ų102.738%0.38253%0.53SS..  trans-79.5101.5170.4-178.50000106.8A266 P267V264-A266 VanDerWaalsContact C-N 3.26Å; V264-A266 PolarHBondContact O-N 3.09Å; V264-P267 HydrophobicContact CG1-CB 4.1Å
265Y36.5Very low34.5Very low163 Ų16396.8 Ų96.864%0.63952%0.519SS*.SBendtrans-78.1-8.3-177.5-76.9-86.2000114V259 R263V259-Y265 HydrophobicContact CG1-CD2 3.59Å; V259-Y265 HydrophobicContact CG1-CE2 4.04Å; R263-Y265 HydrophobicContact CB-CD2 4Å; R263-Y265 HydrophobicContact CB-CE2 3.52Å; R263-Y265 WeakPolarHBondContact O-CD2 3.45Å; R263-Y265 PolarHBondContact O-N 3.39Å
266A38.4Very low34.8Very low44 Ų44101 Ų10136%0.36452%0.524SS..SBendtrans-136.568.8173.500000110.6Q256 V264Q256-A266 HydrophobicContact CG-CB 3.97Å; Q256-A266 PolarHBondContact NE2-O 3.38Å; V264-A266 VanDerWaalsContact C-N 3.26Å; V264-A266 PolarHBondContact O-N 3.09Å
267P41.9Very low35Very low32 Ų32103.5 Ų103.521%0.20854%0.535CS..  trans-71.6140179.926.6-25.4000110V264 S269 Q272 L273V264-P267 HydrophobicContact CG1-CB 4.1Å; P267-S269 WeakPolarHBondContact CB-O 3.36Å; P267-S269 PolarHBondContact O-N 2.82Å; P267-S269 VanDerWaalsContact O-N 3.08Å; P267-Q272 HydrophobicContact CB-CB 3.81Å; P267-L273 HydrophobicContact CB-CB 4.38Å; P267-L273 HydrophobicContact CG-CB 3.57Å; P267-L273 HydrophobicContact CG-CD1 3.58Å; P267-L273 HydrophobicContact CG-CG 4.07Å
268C37.1Very low35Very low110 Ų110103.2 Ų103.274%0.74353%0.533SS*.SBendtrans-65.6-11.1177.5-61.80000112.6
269S38.6Very low35.1Very low44 Ų44102.4 Ų102.431%0.30853%0.529SS..SBendtrans-147.4148.4172.874.40000112.1P267 Q271 Q272 L273P267-S269 WeakPolarHBondContact CB-O 3.36Å; P267-S269 PolarHBondContact O-N 2.82Å; P267-S269 VanDerWaalsContact O-N 3.08Å; S269-Q271 PolarHBondContact O-N 3.1Å; S269-Q272 PolarHBondContact O-N 3.4Å; S269-Q272 PolarHBondContact OG-N 3.39Å; S269-L273 PolarHBondContact O-N 3.02Å
270K40.1Very low35.1Very low93 Ų93106.8 Ų106.840%0.40455%0.546SS..Hα-helixtrans-53.9-33.6171.6-176.4179172.6-177.60111.9W142 L273 L274W142-K270 VanDerWaalsContact CH2-NZ 3.35Å; W142-K270 HydrophobicContact CZ2-CD 4.06Å; K270-L273 WeakPolarHBondContact O-CB 3.46Å; K270-L273 PolarHBondContact O-N 3.44Å; K270-L274 HydrophobicContact CG-CD1 3.89Å; K270-L274 VanDerWaalsContact O-CG 3.29Å; K270-L274 WeakPolarHBondContact O-CG 3.32Å; K270-L274 PolarHBondContact O-N 2.75Å; K270-L274 VanDerWaalsContact O-N 3.13Å
271Q38.9Very low35.2Very low151 Ų151108.2 Ų108.271%0.70655%0.545SS*.Hα-helixtrans-65.9-36.1176.5-77.7172.6-3100113S269 L273 L274 A275S269-Q271 PolarHBondContact O-N 3.1Å; Q271-L273 VanDerWaalsContact C-N 3.35Å; Q271-L274 PolarHBondContact O-N 2.88Å; Q271-A275 WeakPolarHBondContact O-CB 3.42Å; Q271-A275 PolarHBondContact O-N 2.81Å
272Q39.2Very low35.2Very low105 Ų105108.1 Ų108.149%0.49154%0.542SS..Hα-helixtrans-69.6-32175.8-80.1177.2-2200112.8P267 S269P267-Q272 HydrophobicContact CB-CB 3.81Å; S269-Q272 PolarHBondContact O-N 3.4Å; S269-Q272 PolarHBondContact OG-N 3.39Å
273L38Very low34.8Very low77 Ų77103.8 Ų103.840%0.40353%0.532SS..Hα-helixtrans-64.6-45.1172.2-162.872.6000110.9P267 S269 K270 Q271P267-L273 HydrophobicContact CB-CB 4.38Å; P267-L273 HydrophobicContact CG-CB 3.57Å; P267-L273 HydrophobicContact CG-CD1 3.58Å; P267-L273 HydrophobicContact CG-CG 4.07Å; S269-L273 PolarHBondContact O-N 3.02Å; K270-L273 WeakPolarHBondContact O-CB 3.46Å; K270-L273 PolarHBondContact O-N 3.44Å; Q271-L273 VanDerWaalsContact C-N 3.35Å
274L36.9Very low34.5Very low84 Ų84101.5 Ų101.544%0.4453%0.53SS..Hα-helixtrans-80.4-37.4-173.8-65.6171.3000112.8K270 Q271 R276 Q277 S278K270-L274 HydrophobicContact CG-CD1 3.89Å; K270-L274 VanDerWaalsContact O-CG 3.29Å; K270-L274 WeakPolarHBondContact O-CG 3.32Å; K270-L274 PolarHBondContact O-N 2.75Å; K270-L274 VanDerWaalsContact O-N 3.13Å; Q271-L274 PolarHBondContact O-N 2.88Å; L274-R276 PolarHBondContact O-N 3Å; L274-Q277 WeakPolarHBondContact O-CB 3.33Å; L274-Q277 PolarHBondContact O-N 2.86Å; L274-S278 PolarHBondContact O-N 2.92Å
275A38.2Very low34.2Very low55 Ų55106.9 Ų106.946%0.45555%0.545SS..Hα-helixtrans-66.7-19.6179.400000113.6Q271 S278Q271-A275 WeakPolarHBondContact O-CB 3.42Å; Q271-A275 PolarHBondContact O-N 2.81Å; A275-S278 PolarHBondContact O-OG 3.41Å; A275-S278 VanDerWaalsContact O-OG 3.09Å
276R39.2Very low33.7Very low143 Ų143105.9 Ų105.954%0.5454%0.544SS..THydrogen-bonded Turntrans-94.3-5.3170.7-80.2-166.7172.7-1620.5114M261 L274 L279M261-R276 PolarHBondContact O-NH1 3.27Å; M261-R276 VanDerWaalsContact O-NH1 3.09Å; L274-R276 PolarHBondContact O-N 3Å; R276-L279 HydrophobicContact CG-CD1 4.43Å
277Q35.5Very low33Very low126 Ų126105.7 Ų105.759%0.58954%0.543SS*.THydrogen-bonded Turntrans-84.6-24.4165.9-71.4-177.7-13.300111.8L274L274-Q277 WeakPolarHBondContact O-CB 3.33Å; L274-Q277 PolarHBondContact O-N 2.86Å
278S29Very low32.3Very low96 Ų96109.1 Ų109.167%0.67156%0.563SS**SBendtrans-85.3-6.5176.259.80000114.9L274 A275 E280L274-S278 PolarHBondContact O-N 2.92Å; A275-S278 PolarHBondContact O-OG 3.41Å; A275-S278 VanDerWaalsContact O-OG 3.09Å; S278-E280 PolarHBondContact O-N 2.62Å; S278-E280 VanDerWaalsContact O-N 3.15Å
279L28.3Very low31.7Very low128 Ų128112.4 Ų112.467%0.6756%0.561SS**SBendtrans-79.591.7167.1-84.7160.5000108.5R276 M281R276-L279 HydrophobicContact CG-CD1 4.43Å; L279-M281 PolarHBondContact O-N 3.35Å
280E30.1Very low31Very low146 Ų146116.9 Ų116.968%0.68258%0.577SS**  trans2784.1163.8-68.1-174.5163.200115.7S278 H282S278-E280 PolarHBondContact O-N 2.62Å; S278-E280 VanDerWaalsContact O-N 3.15Å; E280-H282 PolarHBondContact O-N 3.09Å
281M29.4Very low30.3Very low131 Ų131119.5 Ų119.565%0.64560%0.595SS**THydrogen-bonded Turntrans-66.521.7157.8-114.8-165.5172.800112.9L279L279-M281 PolarHBondContact O-N 3.35Å
282H27.1Very low29.6Very low174 Ų174120.4 Ų120.481%0.80660%0.597SS**THydrogen-bonded Turntrans-120.2-5.6-171.5-80.8-32.4000116.7E280E280-H282 PolarHBondContact O-N 3.09Å
283S25.5Very low28.8Very low70 Ų70122.4 Ų122.449%0.4961%0.609SS.*SBendtrans-109.7-19.8178.664.30000115.7
284L25.3Very low28.1Very low96 Ų96127 Ų12750%0.50363%0.628SS.*Hα-helixtrans-101.8-23.2-177.5-85.7159.3000115.2K286 A287 V288L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 3.3Å; L284-A287 PolarHBondContact O-N 3.41Å; L284-V288 WeakPolarHBondContact O-CG2 3.16Å; L284-V288 PolarHBondContact O-N 3.07Å
285Y25.8Very low27.6Very low176 Ų176129.5 Ų129.569%0.6965%0.647SS**Hα-helixtrans-71.1-26.4175-119-92.3000112.2
286K25.7Very low26.9Very low142 Ų142134.5 Ų134.562%0.61766%0.661SS**Hα-helixtrans-78.9-33.9174.4-144.7174-176.4176.70112.4L284 Y289 Q290L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 3.3Å; K286-Y289 PolarHBondContact O-N 3.2Å; K286-Q290 VanDerWaalsContact O-CB 3.29Å; K286-Q290 WeakPolarHBondContact O-CB 3.18Å; K286-Q290 WeakPolarHBondContact O-CG 3.32Å; K286-Q290 PolarHBondContact O-N 3.44Å
287A24.2Very low26.2Very low41 Ų41131.4 Ų131.434%0.33967%0.665SS.*Hα-helixtrans-73.7-28.917900000114L284 N291L284-A287 PolarHBondContact O-N 3.41Å; A287-N291 PolarHBondContact O-N 3.21Å
288V25.4Very low25.6Very low103 Ų103132.7 Ų132.762%0.62468%0.677SS**Hα-helixtrans-79.9-20.8177.4179.60000112.1L284L284-V288 WeakPolarHBondContact O-CG2 3.16Å; L284-V288 PolarHBondContact O-N 3.07Å
289Y25Very low25.4Very low180 Ų180133.7 Ų133.771%0.70668%0.679SS**Hα-helixtrans-96.4-20.7172-88.9-88.7000114.4K286K286-Y289 PolarHBondContact O-N 3.2Å
290Q24.9Very low25.1Very low138 Ų138133.1 Ų133.165%0.64568%0.681SS**Hα-helixtrans-87.5-11.1175.4-77.4179.8-41.500114.7K286 K292K286-Q290 VanDerWaalsContact O-CB 3.29Å; K286-Q290 WeakPolarHBondContact O-CB 3.18Å; K286-Q290 WeakPolarHBondContact O-CG 3.32Å; K286-Q290 PolarHBondContact O-N 3.44Å; Q290-K292 VanDerWaalsContact C-N 3.33Å; Q290-K292 PolarHBondContact O-N 3.2Å
291N24.6Very low24.9Very low148 Ų148133.1 Ų133.179%0.79169%0.686SS**THydrogen-bonded Turntrans-90.621.6173-101.3-34.5000114.6A287A287-N291 PolarHBondContact O-N 3.21Å
292K24.7Very low24.6Very low170 Ų170136.7 Ų136.774%0.73970%0.701SS**THydrogen-bonded Turntrans-124.615.4174.7-82.9-164.7-177.9-176.80115.5Q290Q290-K292 VanDerWaalsContact C-N 3.33Å; Q290-K292 PolarHBondContact O-N 3.2Å
293I22.8Very low24.4Very low147 Ų147133 Ų13375%0.75470%0.695SS**SBendtrans-13059.2169.9-47.9176.7000109.4
294H22.9Very low24.4Very low173 Ų173135 Ų13580%0.80171%0.708SS**  trans-148.557.3152.8-116.449.9000108.1Q296H294-Q296 PolarHBondContact O-N 3.42Å
295V25.5Very low24.3Very low136 Ų136142.4 Ų142.482%0.82473%0.729SS**  trans-80.590.1148-1780000103.8A297V295-A297 PolarHBondContact O-N 3.47Å
296Q24.3Very low24.3Very low161 Ų161141 Ų14175%0.75273%0.732SS**  trans-46.6128.1156.9-110173.6-23.500106.8H294 D298H294-Q296 PolarHBondContact O-N 3.42Å; Q296-D298 PolarHBondContact O-N 3.11Å
297A24.3Very low24.1Very low77 Ų77137.1 Ų137.164%0.63673%0.733SS**  trans-50.4101.517100000109.7V295 T299V295-A297 PolarHBondContact O-N 3.47Å; A297-T299 HydrophobicContact CB-CG2 4.21Å; A297-T299 PolarHBondContact O-N 3.35Å
298D23.3Very low24Very low154 Ų154147.1 Ų147.182%0.82476%0.761SS**  trans-83.978.5144-98.9-23.2000106.7Q296 T300Q296-D298 PolarHBondContact O-N 3.11Å; D298-T300 VanDerWaalsContact C-N 3.32Å; D298-T300 PolarHBondContact O-N 2.92Å
299T23.4Very low24.1Very low117 Ų117151.2 Ų151.272%0.71877%0.774SS**  trans-48.796.1149.939.30000108.7A297A297-T299 HydrophobicContact CB-CG2 4.21Å; A297-T299 PolarHBondContact O-N 3.35Å
300T22.9Very low23.9Very low116 Ų116153.4 Ų153.471%0.71278%0.781SS**  trans-176.871.6155.230.10000110.5D298D298-T300 VanDerWaalsContact C-N 3.32Å; D298-T300 PolarHBondContact O-N 2.92Å
301N26.1Very low23.8Very low146 Ų146153.8 Ų153.878%0.78179%0.787SS**  trans160.980.1136.4-86.2-29.4000110.3S303N301-S303 PolarHBondContact O-N 3.15Å
302E23.7Very low23.7Very low206 Ų206154 Ų15496%0.96379%0.788SS**  trans-62.182.9153.7-66.1-178.6143.300109.4
303S22.9Very low23.5Very low97 Ų97152.9 Ų152.968%0.67880%0.796SS**  trans-170.758.1166.742.80000112.8N301N301-S303 PolarHBondContact O-N 3.15Å
304S24.2Very low23.6Very low110 Ų110151.1 Ų151.177%0.76979%0.792SS**  trans-148.862.3151.257.60000111.7I306S304-I306 PolarHBondContact O-N 3.1Å
305R24Very low23.6Very low253 Ų253146.8 Ų146.896%0.95579%0.786SS**  trans-72.994.3148-85.9-177172.5-178.7-1107.9
306I24.7Very low23.6Very low147 Ų147145 Ų14575%0.75478%0.775SS**  trans-136.9101.2157.9-59179.8000104.1S304S304-I306 PolarHBondContact O-N 3.1Å
307G22.5Very low23.6Very low60 Ų60141.5 Ų141.562%0.61976%0.764SS**  69.5110.699.700000108.2
308W22.5Very low23.6Very low250 Ų250148.1 Ų148.195%0.94777%0.773SS**  -155.1131.959.3-76.577.9000110.8
309Q26Very low23.7Very low189 Ų189142.6 Ų142.688%0.88375%0.749SS**  trans-111.5115.6162.4-167.2-176.116.300105.9
310R21.7Very low23.8Very low227 Ų227143.4 Ų143.486%0.85775%0.749SS**  trans169120.4149.5-101175.4176.9-174.9-0.7110.9
311N22.3Very low23.9Very low145 Ų145141.5 Ų141.578%0.77573%0.731SS**SBendtrans62.6128.8161-56.8-7.3000116.9
312D22.6Very low24Very low153 Ų153142.1 Ų142.182%0.81873%0.729SS**SBendtrans75.9103.8175.5-52-27.7000115.9V314D312-V314 PolarHBondContact O-N 3.47Å
313T21.1Very low24.2Very low147 Ų147135.5 Ų135.590%0.90271%0.705SS**  trans-51.199.3177.918.10000112.5A315T313-A315 PolarHBondContact O-N 3.41Å; T313-A315 VanDerWaalsContact O-N 3.15Å
314V23.9Very low24.6Very low110 Ų110135.1 Ų135.167%0.66770%0.701SS**  trans-71.2100.6158.6179.70000107.2D312 V316D312-V314 PolarHBondContact O-N 3.47Å; V314-V316 HydrophobicContact CG1-CG2 3.86Å; V314-V316 PolarHBondContact O-N 2.92Å
315A23.5Very low24.9Very low81 Ų81134.3 Ų134.367%0.66969%0.691SS**  trans-66.389.8164.200000108.1T313 V317T313-A315 PolarHBondContact O-N 3.41Å; T313-A315 VanDerWaalsContact O-N 3.15Å; A315-V317 PolarHBondContact O-N 2.77Å
316V25Very low25.1Very low99 Ų99124.1 Ų124.160%0.666%0.657SS**  trans-68.289.8164.4-178.80000105.9V314 R318V314-V316 HydrophobicContact CG1-CG2 3.86Å; V314-V316 PolarHBondContact O-N 2.92Å; V316-R318 HydrophobicContact CG1-CG 4.07Å; V316-R318 PolarHBondContact O-N 2.75Å
317V25.4Very low25.6Very low87 Ų87123.1 Ų123.153%0.52766%0.664SS.*  trans-67.485.1161.4-1760000105.4A315 A319A315-V317 PolarHBondContact O-N 2.77Å; V317-A319 HydrophobicContact CG1-CB 4.21Å; V317-A319 PolarHBondContact O-N 2.78Å
318R24.1Very low25.8Very low217 Ų217125.4 Ų125.482%0.81966%0.661SS**  trans-64.679.2152.8-90.7-175.2175.2177.6-1.4105.4V316 N320V316-R318 HydrophobicContact CG1-CG 4.07Å; V316-R318 PolarHBondContact O-N 2.75Å; R318-N320 PolarHBondContact O-N 3.34Å
319A25.7Very low26Very low38 Ų38124.1 Ų124.131%0.31466%0.657SS.*  trans-61.496.6152.700000104V317 F321V317-A319 HydrophobicContact CG1-CB 4.21Å; V317-A319 PolarHBondContact O-N 2.78Å; A319-F321 HydrophobicContact CB-CD2 3.54Å; A319-F321 HydrophobicContact CB-CE2 3.51Å; A319-F321 HydrophobicContact CB-CG 4.41Å; A319-F321 HydrophobicContact CB-CZ 4.37Å; A319-F321 PolarHBondContact O-N 3.07Å
320N24.4Very low26.1Very low134 Ų134120 Ų12072%0.71765%0.648SS**  trans-55.986.7147.4-75.8-24.9000104R318 E322R318-N320 PolarHBondContact O-N 3.34Å; N320-E322 PolarHBondContact O-N 3.44Å
321F26.3Very low26.4Very low76 Ų76111.1 Ų111.133%0.33362%0.622SS.*  trans-63.292.9163-86.5-85.2000104A319 S323 I406A319-F321 HydrophobicContact CB-CD2 3.54Å; A319-F321 HydrophobicContact CB-CE2 3.51Å; A319-F321 HydrophobicContact CB-CG 4.41Å; A319-F321 HydrophobicContact CB-CZ 4.37Å; A319-F321 PolarHBondContact O-N 3.07Å; F321-S323 PolarHBondContact O-N 3.27Å; F321-I406 HydrophobicContact CE1-CG2 4.22Å; F321-I406 HydrophobicContact CZ-CG2 4.47Å
322E28.1Very low26.7Very low159 Ų159106 Ų10674%0.74360%0.595SS**  trans-50.776.4135.1-67.7-178.4169.600106.1N320 P324 Y408N320-E322 PolarHBondContact O-N 3.44Å; E322-P324 VanDerWaalsContact O-CD 3.28Å; E322-P324 WeakPolarHBondContact O-CD 3.48Å; E322-Y408 PolarHBondContact O-OH 3.34Å
323S28Very low27Very low66 Ų66107.8 Ų107.846%0.46259%0.59SS.*  trans-58.2112.5148.1172.50000102.9F321 V325F321-S323 PolarHBondContact O-N 3.27Å; S323-V325 PolarHBondContact O-N 3.26Å
324P30.4Very low27.5Very low90 Ų90107.9 Ų107.958%0.58458%0.578SS**  trans-68.497.9178.328.7-28.9000104.6E322 P326E322-P324 VanDerWaalsContact O-CD 3.28Å; E322-P324 WeakPolarHBondContact O-CD 3.48Å; P324-P326 WeakPolarHBondContact O-CD 3.43Å
325V30.8Very low27.9Very low92 Ų92109.8 Ų109.856%0.55857%0.573SS**  trans-51.3114.8154.7176.50000103.4S323 S327 I332S323-V325 PolarHBondContact O-N 3.26Å; V325-S327 PolarHBondContact O-N 2.95Å; V325-I332 HydrophobicContact CG1-CD1 3.8Å; V325-I332 HydrophobicContact CG1-CG1 3.82Å
326P28.6Very low28.1Very low39 Ų39113.5 Ų113.525%0.25357%0.57SS.*  trans-55.4132.2-177.7-23.833.4000107.6P324 D328 A331 I332P324-P326 WeakPolarHBondContact O-CD 3.43Å; P326-D328 PolarHBondContact O-N 3.36Å; P326-A331 HydrophobicContact CB-CB 3.37Å; P326-A331 HydrophobicContact CG-CB 3.87Å; P326-I332 VanDerWaalsContact O-CD1 3.29Å; P326-I332 WeakPolarHBondContact O-CD1 3.45Å; P326-I332 WeakPolarHBondContact O-CG1 3.29Å
327S34Very low28.6Very low127 Ų127114.8 Ų114.889%0.88857%0.573SS**SBendtrans-64.1-12.1-178.751.90000112.9V325V325-S327 PolarHBondContact O-N 2.95Å
328D28.1Very low29.1Very low107 Ų107116.4 Ų116.457%0.57258%0.579SS**SBendtrans-94.5125.8-174.4-131.6-20.4000112.4P326 C330 A331 I332P326-D328 PolarHBondContact O-N 3.36Å; D328-C330 PolarHBondContact O-N 3.39Å; D328-C330 VanDerWaalsContact O-N 3.09Å; D328-A331 HydrophobicContact CB-CB 4.18Å; D328-A331 PolarHBondContact O-N 3.13Å; D328-I332 PolarHBondContact O-N 3.03Å
329R27.1Very low29.6Very low224 Ų224108.8 Ų108.885%0.84556%0.559SS**Hα-helixtrans-56.6-31.8-175.9-75.1-177.1176-176-0.8112.9R333R329-R333 PolarHBondContact O-N 3.34Å
330C27Very low29.8Very low103 Ų103112.5 Ų112.570%0.69658%0.58SS**Hα-helixtrans-73.6-35.8177.3-69.50000113D328 R333 K334D328-C330 PolarHBondContact O-N 3.39Å; D328-C330 VanDerWaalsContact O-N 3.09Å; C330-R333 PolarHBondContact O-N 3.18Å; C330-K334 PolarHBondContact O-N 3.08Å; C330-K334 VanDerWaalsContact O-N 3.07Å
331A29.2Very low30.4Very low39 Ų39117 Ų11732%0.32259%0.586SS.*Hα-helixtrans-74.9-33178.200000111.7P326 D328 K334 W335P326-A331 HydrophobicContact CB-CB 3.37Å; P326-A331 HydrophobicContact CG-CB 3.87Å; D328-A331 HydrophobicContact CB-CB 4.18Å; D328-A331 PolarHBondContact O-N 3.13Å; A331-K334 PolarHBondContact O-N 3.35Å; A331-W335 VanDerWaalsContact O-CB 3.32Å; A331-W335 WeakPolarHBondContact O-CB 3.1Å; A331-W335 PolarHBondContact O-N 3.07Å
332I28.3Very low30.9Very low38 Ų38119.5 Ų119.520%0.19560%0.598CS.*Hα-helixtrans-62.1-43.3168.3-62.4173.8000110.7V325 P326 D328 K334 W335 R336V325-I332 HydrophobicContact CG1-CD1 3.8Å; V325-I332 HydrophobicContact CG1-CG1 3.82Å; P326-I332 VanDerWaalsContact O-CD1 3.29Å; P326-I332 WeakPolarHBondContact O-CD1 3.45Å; P326-I332 WeakPolarHBondContact O-CG1 3.29Å; D328-I332 PolarHBondContact O-N 3.03Å; I332-K334 VanDerWaalsContact C-N 3.34Å; I332-K334 PolarHBondContact O-N 3.11Å; I332-W335 PolarHBondContact O-N 3.09Å; I332-R336 HydrophobicContact CG2-CG 4.36Å; I332-R336 WeakPolarHBondContact O-CB 3.29Å; I332-R336 WeakPolarHBondContact O-CG 3.11Å; I332-R336 PolarHBondContact O-N 3.35Å
333R28.6Very low31.1Very low190 Ų190120.1 Ų120.172%0.71761%0.606SS**Hα-helixtrans-63.5-39178.5-122.3180-176.1-178.71.4112.2R329 C330 N337R329-R333 PolarHBondContact O-N 3.34Å; C330-R333 PolarHBondContact O-N 3.18Å; R333-N337 PolarHBondContact O-N 3.27Å; R333-N337 VanDerWaalsContact O-N 3.11Å
334K31.5Very low31.5Very low149 Ų149121.2 Ų121.265%0.64861%0.607SS**Hα-helixtrans-70.9-44.2177.5-156.2174.5-176.6-179.70112C330 A331 I332 R336 N337 D338C330-K334 PolarHBondContact O-N 3.08Å; C330-K334 VanDerWaalsContact O-N 3.07Å; A331-K334 PolarHBondContact O-N 3.35Å; I332-K334 VanDerWaalsContact C-N 3.34Å; I332-K334 PolarHBondContact O-N 3.11Å; K334-R336 VanDerWaalsContact C-N 3.27Å; K334-R336 PolarHBondContact O-N 2.68Å; K334-N337 PolarHBondContact O-N 2.98Å; K334-N337 VanDerWaalsContact O-N 3.15Å; K334-D338 PolarHBondContact O-N 3.36Å; K334-D338 VanDerWaalsContact O-N 3.1Å
335W31.3Very low31.5Very low151 Ų151122 Ų12257%0.57261%0.612SS**Hα-helixtrans-59.7-37.2173.4-169.582.3000112.5A331 I332A331-W335 VanDerWaalsContact O-CB 3.32Å; A331-W335 WeakPolarHBondContact O-CB 3.1Å; A331-W335 PolarHBondContact O-N 3.07Å; I332-W335 PolarHBondContact O-N 3.09Å
336R28.9Very low31.5Very low159 Ų159124.4 Ų124.460%0.662%0.621SS**Hα-helixtrans-68-35.9174.3-76.5175-178.5-1701.9113.8I332 K334I332-R336 HydrophobicContact CG2-CG 4.36Å; I332-R336 WeakPolarHBondContact O-CB 3.29Å; I332-R336 WeakPolarHBondContact O-CG 3.11Å; I332-R336 PolarHBondContact O-N 3.35Å; K334-R336 VanDerWaalsContact C-N 3.27Å; K334-R336 PolarHBondContact O-N 2.68Å
337N34.4Very low31.6Very low126 Ų126128.8 Ų128.867%0.67464%0.639SS**Hα-helixtrans-77.2-28.6179.7-81.2-5.3000113R333 K334 S339R333-N337 PolarHBondContact O-N 3.27Å; R333-N337 VanDerWaalsContact O-N 3.11Å; K334-N337 PolarHBondContact O-N 2.98Å; K334-N337 VanDerWaalsContact O-N 3.15Å; N337-S339 VanDerWaalsContact C-N 3.29Å; N337-S339 PolarHBondContact O-N 3.05Å
338D35.6Very low31.5Very low121 Ų121129 Ų12965%0.64763%0.628SS**SBendtrans-81.2-5.8-177.4-69.3-19.8000113.5K334 P340K334-D338 PolarHBondContact O-N 3.36Å; K334-D338 VanDerWaalsContact O-N 3.1Å; D338-P340 VanDerWaalsContact C-CD 3.48Å
339S34.9Very low31.5Very low57 Ų57127.3 Ų127.340%0.39962%0.618SS.*  trans-127.770.9175.4-84.10000112.2N337 R341 F342N337-S339 VanDerWaalsContact C-N 3.29Å; N337-S339 PolarHBondContact O-N 3.05Å; S339-R341 PolarHBondContact O-N 3.01Å; S339-F342 PolarHBondContact O-N 3.21Å
340P30.8Very low31.7Very low115 Ų115120.2 Ų120.275%0.74760%0.601SS**THydrogen-bonded Turntrans-67.48-176.627-34.2000115D338D338-P340 VanDerWaalsContact C-CD 3.48Å
341R35.8Very low31.7Very low228 Ų228121 Ų12186%0.8659%0.591SS**THydrogen-bonded Turntrans-109.6-0.6-179.5-72.1-170.3177.4-169.4-1115.1S339S339-R341 PolarHBondContact O-N 3.01Å
342F36.9Very low31.7Very low129 Ų129123.2 Ų123.257%0.56660%0.6SS**  trans-12589.2-176.5-61.9-74.1000111.4S339 N344 I349S339-F342 PolarHBondContact O-N 3.21Å; F342-N344 VanDerWaalsContact C-N 3.27Å; F342-N344 PolarHBondContact O-N 3.2Å; F342-I349 HydrophobicContact CE1-CD1 4.18Å; F342-I349 HydrophobicContact CZ-CD1 4.4Å
343N33Very low31.8Very low173 Ų173127 Ų12793%0.92562%0.619SS**  trans-82.611.3-177.6-101.9-5.7000114.6
344N35.9Very low31.7Very low89 Ų89128.4 Ų128.448%0.47663%0.625SS.*  trans-118.5110.7-179.3-160-16000111.6F342 N346 Q347F342-N344 VanDerWaalsContact C-N 3.27Å; F342-N344 PolarHBondContact O-N 3.2Å; N344-N346 PolarHBondContact O-N 3.23Å; N344-Q347 HydrophobicContact CB-CB 4.32Å; N344-Q347 PolarHBondContact O-N 2.78Å
345P30.5Very low31.5Very low105 Ų105127.8 Ų127.868%0.68263%0.628SS**THydrogen-bonded Turntrans-66.7-7.4-17525.4-33.6000115.1
346N30.6Very low31.5Very low143 Ų143125.1 Ų125.177%0.76562%0.618SS**THydrogen-bonded Turntrans-113.16.4-175.5-69.6-19.9000114.5N344 I348N344-N346 PolarHBondContact O-N 3.23Å; N346-I348 PolarHBondContact O-N 3.35Å
347Q30.5Very low31.4Very low132 Ų132121.9 Ų121.962%0.61762%0.617SS**  trans-91.493.2-173.3-154.1168.38.100111.6N344N344-Q347 HydrophobicContact CB-CB 4.32Å; N344-Q347 PolarHBondContact O-N 2.78Å
348I31.8Very low31.2Very low130 Ų130119.4 Ų119.467%0.66761%0.608SS**  trans-76.4119.9166.3-59.8172.6000107.3N346 P350N346-I348 PolarHBondContact O-N 3.35Å; I348-P350 VanDerWaalsContact O-CD 3.23Å; I348-P350 WeakPolarHBondContact O-CD 3.46Å
349I29.4Very low30.8Very low72 Ų72116.8 Ų116.837%0.36961%0.609SS.*  trans-85.6108.9171.3-58.1173.1000107.3F342 Y351F342-I349 HydrophobicContact CE1-CD1 4.18Å; F342-I349 HydrophobicContact CZ-CD1 4.4Å; I349-Y351 HydrophobicContact CG2-CE2 4.3Å
350P30.5Very low30.7Very low75 Ų75120.6 Ų120.649%0.48762%0.621SS.*  trans-68.5138.417229-30.8000108.3I348 S371I348-P350 VanDerWaalsContact O-CD 3.23Å; I348-P350 WeakPolarHBondContact O-CD 3.46Å; P350-S371 PolarHBondContact O-OG 3.22Å
351Y28.2Very low30.7Very low121 Ų121118.7 Ų118.748%0.47561%0.61SS.*  trans-107.8126.4162.1-70.8-85.9000107.6I349I349-Y351 HydrophobicContact CG2-CE2 4.3Å
352V28.5Very low30.4Very low84 Ų84113.7 Ų113.751%0.50961%0.607SS.*  trans-92.8102.7171.9-178.20000108R354V352-R354 HydrophobicContact CG1-CG 4.35Å; V352-R354 PolarHBondContact O-N 2.96Å
353I29.9Very low30Very low118 Ų118118.5 Ų118.561%0.60562%0.621SS**  trans-81.5103.8167.2-58175.2000106.7L355I353-L355 HydrophobicContact CG2-CD2 4.14Å; I353-L355 HydrophobicContact CG2-CG 4.35Å; I353-L355 PolarHBondContact O-N 3.29Å; I353-L355 VanDerWaalsContact O-N 3.09Å
354R27.4Very low30Very low219 Ų219117 Ų11783%0.82661%0.609SS**  trans-72.498.7167.5-80.1-173.7174.8-176.8-1.4108.7V352V352-R354 HydrophobicContact CG1-CG 4.35Å; V352-R354 PolarHBondContact O-N 2.96Å
355L27.8Very low29.7Very low136 Ų136119.4 Ų119.471%0.71262%0.622SS**PPolyproline II helixtrans-70.4127.5164.9-65.4172000108I353I353-L355 HydrophobicContact CG2-CD2 4.14Å; I353-L355 HydrophobicContact CG2-CG 4.35Å; I353-L355 PolarHBondContact O-N 3.29Å; I353-L355 VanDerWaalsContact O-N 3.09Å
356R31.3Very low29.7Very low96 Ų96119.3 Ų119.336%0.36261%0.612SS.*PPolyproline II helixtrans-67.2145.5179.5-65.6-176.8-169.2174.23110Q364R356-Q364 PolarHBondContact NH1-O 3.37Å; R356-Q364 PolarHBondContact NH2-O 3.28Å
357P26.7Very low29.8Very low90 Ų90117 Ų11758%0.58460%0.603SS**PPolyproline II helixtrans-62.3144.5164.824.1-29.4000110.2G359P357-G359 PolarHBondContact O-N 3.28Å
358P29Very low29.9Very low75 Ų75115.4 Ų115.449%0.48760%0.602SS.*THydrogen-bonded Turntrans-62.1124.1-179.3-2437000111.3H94H94-P358 HydrophobicContact CB-CB 3.91Å; H94-P358 HydrophobicContact CB-CG 3.63Å; H94-P358 WeakPolarHBondContact O-CB 3.42Å; H94-P358 WeakPolarHBondContact O-CG 3.46Å
359G28.1Very low29.8Very low65 Ų65113.5 Ų113.567%0.6760%0.596SS**THydrogen-bonded Turntrans133-9.7171.700000117.8P357P357-G359 PolarHBondContact O-N 3.28Å
360Q31.9Very low30Very low138 Ų138114.5 Ų114.565%0.64561%0.608SS**  trans-92147179.6-71.2-170.6-4.800114.1
361S31.2Very low30.1Very low74 Ų74113.2 Ų113.252%0.51760%0.6SS.*  trans-64.4154.5-166.692.60000114.5R363S361-R363 PolarHBondContact O-N 3.09Å; S361-R363 VanDerWaalsContact O-N 3.16Å
362P29.8Very low30Very low123 Ų123109.9 Ų109.980%0.79960%0.603SS**THydrogen-bonded Turntrans-73.8-0.5-176.4-2.316.5000115.2
363R27.8Very low30Very low231 Ų231113.5 Ų113.587%0.87262%0.619SS**THydrogen-bonded Turntrans-99.412.3-166-89.8-170.2171.9-178.4-1.8116.5S361S361-R363 PolarHBondContact O-N 3.09Å; S361-R363 VanDerWaalsContact O-N 3.16Å
364Q32.6Very low29.8Very low142 Ų142117.8 Ų117.866%0.66464%0.639SS**SBendtrans-118.3128.2172.1-74.6179.4-20.700109.7R356R356-Q364 PolarHBondContact NH1-O 3.37Å; R356-Q364 PolarHBondContact NH2-O 3.28Å
365D31.1Very low29.6Very low138 Ų138109.8 Ų109.874%0.73863%0.625SS**PPolyproline II helixtrans-64.5153.3-172.4-70.4-50.6000113.4T367D365-T367 PolarHBondContact O-N 3.43Å
366H30.2Very low29.5Very low104 Ų104115.1 Ų115.148%0.48164%0.636SS.*PPolyproline II helixtrans-79.5117-179.9-68.4-99.6000110.4
367T31.9Very low29.1Very low95 Ų95115.8 Ų115.858%0.58366%0.655SS**PPolyproline II helixtrans-87.5118.3171.4-31.10000109.7D365 V369D365-T367 PolarHBondContact O-N 3.43Å; T367-V369 HydrophobicContact CG2-CG2 4.14Å
368V32.4Very low29Very low98 Ų98116 Ų11659%0.59466%0.659SS**  trans-96.3114.2167.9178.80000107.2
369V30.9Very low28.8Very low89 Ų89118.4 Ų118.454%0.53967%0.671SS.*  trans-103.6119.9176.5-172.70000108.2T367 S371T367-V369 HydrophobicContact CG2-CG2 4.14Å; V369-S371 PolarHBondContact O-N 3.47Å
370P33.2Very low28.8Very low94 Ų94122.7 Ų122.761%0.6168%0.678SS**  trans-67.3118.3171.2-3.716.3000109.1G372P370-G372 VanDerWaalsContact C-N 3.26Å; P370-G372 PolarHBondContact O-N 3.29Å
371S32.3Very low28.5Very low48 Ų48119.8 Ų119.834%0.33667%0.671SS.*  trans-79.482.9166.139.90000109.1P350 V369P350-S371 PolarHBondContact O-OG 3.22Å; V369-S371 PolarHBondContact O-N 3.47Å
372G26.7Very low28.2Very low51 Ų51120.5 Ų120.553%0.52667%0.674SS.*  trans-163.173.3179.400000111P370P370-G372 VanDerWaalsContact C-N 3.26Å; P370-G372 PolarHBondContact O-N 3.29Å
373D27.1Very low28.2Very low160 Ų160120.1 Ų120.186%0.85667%0.669SS**  trans-163.480.5145.6-99.7-22.7000109.4G375D373-G375 PolarHBondContact O-N 3.03Å
374M27Very low28.1Very low208 Ų208116.8 Ų116.8100%1.02566%0.664SS**  trans-81.676.9155.9-73.7-137.7-78.600107.4
375G23.4Very low27.8Very low51 Ų51116.7 Ų116.753%0.52666%0.663SS.*SBendtrans-163.172-174.400000112.4D373D373-G375 PolarHBondContact O-N 3.03Å
376R24Very low27.7Very low248 Ų248115.7 Ų115.794%0.93666%0.657SS**SBendtrans56.5120.2158-62.1-179.9175.6-166.6-2.1117.1
377S23.4Very low27.5Very low109 Ų109117.4 Ų117.476%0.76267%0.669SS**  trans81110.9158.2-163.10000117.9
378S25Very low27.1Very low95 Ų95116.1 Ų116.166%0.66467%0.674SS**  trans66.4117.913668.50000119.9
379V25.1Very low27Very low125 Ų125116 Ų11676%0.75867%0.673SS**  trans74.197.7155-1680000114.9
380L27.4Very low26.8Very low155 Ų155121.1 Ų121.181%0.81269%0.691SS**PPolyproline II helixtrans-55.8123.9152.4-74.4161.2000107.1
381P26.6Very low26.7Very low77 Ų77127.5 Ų127.550%0.570%0.703SS.*PPolyproline II helixtrans-62.5137.8174.125.2-29.8000108.1E385P381-E385 WeakPolarHBondContact CB-OE2 3.42Å
382P24.9Very low26.5Very low89 Ų89136.4 Ų136.458%0.57873%0.73SS**PPolyproline II helixtrans-55.6149.4176.622.7-30.5000109.8E384 E385P382-E384 PolarHBondContact O-N 3.09Å; P382-E385 PolarHBondContact O-N 3.35Å
383V28.8Very low26.8Very low115 Ų115138.5 Ų138.570%0.69773%0.728SS**THydrogen-bonded Turntrans-49.3-5.1-172171.20000115.5
384E26.1Very low27.1Very low161 Ų161134 Ų13475%0.75271%0.709SS**THydrogen-bonded Turntrans-92.7-18.4-174.1-65.4177.5161.900114.2P382 L386P382-E384 PolarHBondContact O-N 3.09Å; E384-L386 PolarHBondContact O-N 3.15Å
385E27.1Very low27.4Very low141 Ų141130.2 Ų130.266%0.65969%0.689SS**THydrogen-bonded Turntrans-82-10.5-177.1-79.5-172.8157.900115.4P381 P382P381-E385 WeakPolarHBondContact CB-OE2 3.42Å; P382-E385 PolarHBondContact O-N 3.35Å
386L28.6Very low27.8Very low116 Ų116132.3 Ų132.361%0.60769%0.693SS**THydrogen-bonded Turntrans-92.8-6.4174.7-80.1163.9000113.8E384 G388E384-L386 PolarHBondContact O-N 3.15Å; L386-G388 VanDerWaalsContact C-N 3.28Å
387I26Very low28.1Very low141 Ų141124.8 Ų124.872%0.72367%0.67SS**THydrogen-bonded Turntrans-83-7.8179.4-63.3173000111.5
388G23.7Very low28.4Very low67 Ų67124.1 Ų124.169%0.69165%0.651SS**THydrogen-bonded Turntrans-104.10.3-176.300000117.2L386L386-G388 VanDerWaalsContact C-N 3.28Å
389T29.7Very low28.7Very low95 Ų95127.2 Ų127.258%0.58365%0.648SS**  trans-109.1113.3178.5560000111.2R391T389-R391 PolarHBondContact O-N 2.92Å
390E27.3Very low28.9Very low197 Ų197123 Ų12392%0.92163%0.627SS**  trans-63.543.2177.9-61.5-177135.500114.4R392E390-R392 VanDerWaalsContact C-N 3.29Å; E390-R392 PolarHBondContact O-N 3.3Å
391R30.3Very low29.2Very low228 Ų228119.9 Ų119.986%0.8662%0.623SS**  trans-9174168.4-72.9-170.3175.3-164.90.5108.8T389 L393T389-R391 PolarHBondContact O-N 2.92Å; R391-L393 PolarHBondContact O-N 2.92Å
392R28.6Very low29.4Very low236 Ų236124 Ų12489%0.89163%0.629SS**  trans-47.1111.5165.6-73.4-178.3176.1-175-0.4108.2E390 S394E390-R392 VanDerWaalsContact C-N 3.29Å; E390-R392 PolarHBondContact O-N 3.3Å; R392-S394 PolarHBondContact O-N 3.47Å; R392-S394 VanDerWaalsContact O-N 3.16Å
393L32.5Very low29.5Very low94 Ų94122 Ų12249%0.49262%0.617SS.*  trans-52125.1155.1-80.9165.7000105.7R391 E395 M397R391-L393 PolarHBondContact O-N 2.92Å; L393-E395 PolarHBondContact O-N 3.28Å; L393-M397 HydrophobicContact CB-CB 4.43Å; L393-M397 HydrophobicContact CD2-CB 4.1Å; L393-M397 HydrophobicContact CD2-CE 3.77Å; L393-M397 HydrophobicContact CD2-SD 3.81Å
394S34.6Very low29.5Very low65 Ų65122.5 Ų122.546%0.45562%0.622SS.*  trans-52138175.665.60000108.3R392 P396 M397 Y398R392-S394 PolarHBondContact O-N 3.47Å; R392-S394 VanDerWaalsContact O-N 3.16Å; S394-P396 WeakPolarHBondContact O-CD 3.29Å; S394-M397 PolarHBondContact O-N 3.4Å; S394-Y398 PolarHBondContact O-N 3.45Å
395E32.6Very low29.5Very low129 Ų129123.3 Ų123.360%0.60362%0.62SS**Hα-helixtrans-45.4-34-179-161-177.6158.500114.3L393 Y398 R399L393-E395 PolarHBondContact O-N 3.28Å; E395-Y398 PolarHBondContact O-N 2.89Å; E395-R399 WeakPolarHBondContact O-CG 3.3Å; E395-R399 PolarHBondContact O-N 3.28Å; E395-R399 VanDerWaalsContact O-N 3.15Å; E395-R399 IonicContact OE1-CZ 3.59Å; E395-R399 IonicContact OE1-NE 3.71Å; E395-R399 IonicContact OE1-NH2 2.72Å; E395-R399 PolarHBondContact OE1-NH2 3.09Å
396P30.7Very low29.5Very low95 Ų95122 Ų12262%0.61762%0.616SS**Hα-helixtrans-61.7-39171.9-2435.3000115S394 R399 A400S394-P396 WeakPolarHBondContact O-CD 3.29Å; P396-R399 PolarHBondContact O-N 3.33Å; P396-A400 PolarHBondContact O-N 2.84Å
397M30.2Very low29.3Very low90 Ų90120.5 Ų120.544%0.44361%0.612SS.*Hα-helixtrans-70.4-35.7178.9-72.4-174.87700111.9L393 S394 R399 A400 A401L393-M397 HydrophobicContact CB-CB 4.43Å; L393-M397 HydrophobicContact CD2-CB 4.1Å; L393-M397 HydrophobicContact CD2-CE 3.77Å; L393-M397 HydrophobicContact CD2-SD 3.81Å; S394-M397 PolarHBondContact O-N 3.4Å; M397-R399 VanDerWaalsContact C-N 3.3Å; M397-R399 PolarHBondContact O-N 3.46Å; M397-A400 PolarHBondContact O-N 3.49Å; M397-A401 PolarHBondContact O-N 3.06Å; M397-A401 VanDerWaalsContact O-N 3.14Å
398Y31.1Very low29.4Very low95 Ų95121.3 Ų121.337%0.37361%0.607SS.*Hα-helixtrans-66.8-33.3174.6-163.6-91.6000111.8S394 E395S394-Y398 PolarHBondContact O-N 3.45Å; E395-Y398 PolarHBondContact O-N 2.89Å
399R30.3Very low29.5Very low160 Ų160121.8 Ų121.860%0.60460%0.604SS**Hα-helixtrans-71.8-38.9172.8-70.5-178.7-168.5-166.94.5112.6E395 P396 M397 A401 R402E395-R399 WeakPolarHBondContact O-CG 3.3Å; E395-R399 PolarHBondContact O-N 3.28Å; E395-R399 VanDerWaalsContact O-N 3.15Å; E395-R399 IonicContact OE1-CZ 3.59Å; E395-R399 IonicContact OE1-NE 3.71Å; E395-R399 IonicContact OE1-NH2 2.72Å; E395-R399 PolarHBondContact OE1-NH2 3.09Å; P396-R399 PolarHBondContact O-N 3.33Å; M397-R399 VanDerWaalsContact C-N 3.3Å; M397-R399 PolarHBondContact O-N 3.46Å; R399-A401 VanDerWaalsContact C-N 3.35Å; R399-A401 PolarHBondContact O-N 3.06Å; R399-R402 PolarHBondContact O-N 3.46Å
400A29.6Very low29.4Very low38 Ų38123.1 Ų123.131%0.31461%0.608SS.*Hα-helixtrans-64.4-37.3178.400000112.7P396 M397 R402 S403P396-A400 PolarHBondContact O-N 2.84Å; M397-A400 PolarHBondContact O-N 3.49Å; A400-R402 PolarHBondContact O-N 3.23Å; A400-S403 WeakPolarHBondContact O-CB 3.49Å; A400-S403 PolarHBondContact O-N 3.44Å
401A33Very low29.6Very low88 Ų88123.6 Ų123.673%0.72760%0.602SS**THydrogen-bonded Turntrans-71.1-12.8177.700000114.5M397 R399M397-A401 PolarHBondContact O-N 3.06Å; M397-A401 VanDerWaalsContact O-N 3.14Å; R399-A401 VanDerWaalsContact C-N 3.35Å; R399-A401 PolarHBondContact O-N 3.06Å
402R32.1Very low29.7Very low165 Ų165116 Ų11662%0.62358%0.584SS**THydrogen-bonded Turntrans-93.6-2.6174.1-76.6-170.4171.3-167.90.2113.6R399 A400R399-R402 PolarHBondContact O-N 3.46Å; A400-R402 PolarHBondContact O-N 3.23Å
403S27.2Very low29.7Very low46 Ų46108.7 Ų108.732%0.32258%0.582SS.*  trans-83.9129.5174.5176.20000110.1A400 Y405A400-S403 WeakPolarHBondContact O-CB 3.49Å; A400-S403 PolarHBondContact O-N 3.44Å; S403-Y405 PolarHBondContact O-N 3.49Å; S403-Y405 VanDerWaalsContact O-N 3.16Å; S403-Y405 PolarHBondContact OG-N 3.17Å; S403-Y405 VanDerWaalsContact OG-N 3.15Å; S403-Y405 PolarHBondContact OG-O 3.5Å; S403-Y405 VanDerWaalsContact OG-O 3.06Å
404P28.6Very low29.3Very low125 Ų125112.7 Ų112.781%0.81260%0.595SS**SBendtrans-67.8-6.1170.728.1-32.3000112.8
405Y25.5Very low29Very low179 Ų179117.6 Ų117.670%0.70261%0.608SS**SBendtrans-98.6124.4170.4-60.5-83.1000109.4S403 V407S403-Y405 PolarHBondContact O-N 3.49Å; S403-Y405 VanDerWaalsContact O-N 3.16Å; S403-Y405 PolarHBondContact OG-N 3.17Å; S403-Y405 VanDerWaalsContact OG-N 3.15Å; S403-Y405 PolarHBondContact OG-O 3.5Å; S403-Y405 VanDerWaalsContact OG-O 3.06Å; Y405-V407 PolarHBondContact O-N 2.92Å
406I27.6Very low28.7Very low113 Ų113120.5 Ų120.558%0.57964%0.641SS**  trans-56.8101.7168-62.7169.7000107.3F321 Y408F321-I406 HydrophobicContact CE1-CG2 4.22Å; F321-I406 HydrophobicContact CZ-CG2 4.47Å; I406-Y408 PolarHBondContact O-N 3.44Å
407V24.2Very low28.6Very low84 Ų84121.8 Ų121.851%0.50964%0.642SS.*  trans-80.2111.2172.3-178.70000107Y405 A409Y405-V407 PolarHBondContact O-N 2.92Å; V407-A409 VanDerWaalsContact C-N 3.29Å; V407-A409 PolarHBondContact O-N 3.35Å
408Y27.4Very low28.6Very low159 Ų159123.5 Ų123.562%0.62465%0.653SS**  trans-65.892.4163.3-79.6-89.1000108.5E322 I406E322-Y408 PolarHBondContact O-OH 3.34Å; I406-Y408 PolarHBondContact O-N 3.44Å
409A26Very low28.4Very low76 Ų76125.1 Ų125.163%0.62867%0.668SS**  trans-88.9116.7165.500000108.5V407V407-A409 VanDerWaalsContact C-N 3.29Å; V407-A409 PolarHBondContact O-N 3.35Å
410N28Very low28.3Very low124 Ų124123 Ų12366%0.66367%0.672SS**  trans-67.6135.3166.2-170.1-4.7000108.6S412N410-S412 PolarHBondContact O-N 2.91Å
411Y31.6Very low28.2Very low207 Ų207128.3 Ų128.381%0.81270%0.695SS**THydrogen-bonded Turntrans-63.83.4-174.7-106.4-89.9000115
412S32.6Very low27.9Very low69 Ų69131 Ų13148%0.48369%0.692SS.*THydrogen-bonded Turntrans-90-9.6-173.468.50000115.5N410 K414N410-S412 PolarHBondContact O-N 2.91Å; S412-K414 PolarHBondContact O-N 3.32Å
413G28.2Very low27.6Very low81 Ų81128.6 Ų128.684%0.83570%0.697SS**  trans58.810179.900000115.1
414K25Very low27.6Very low178 Ų178134.9 Ų134.977%0.77473%0.726SS**SBendtrans-108130174.7-70.7-175.1179.1-179.10108.3S412S412-K414 PolarHBondContact O-N 3.32Å
415K27.1Very low27.6Very low168 Ų168135.8 Ų135.873%0.7372%0.719SS**  trans-53133.1-176.8-66.9175.1179.7168.60111.3F220F220-K415 VanDerWaalsContact CZ-NZ 3.32Å
416C27.6Very low27.8Very low191 Ų191131.8 Ų131.8100%1.29172%0.721SS**  trans-77.50148.9-760000108.8

Retrieved 416 of 416 residues in 111.5 ms (Link to these results)