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Isoform D of Reticulon-4 AlphaSync

Canonical isoform description: Required to induce the formation and stabilization of endoplasmic reticulum (ER) tubules. They regulate membrane morphogenesis in the ER by promoting tubular ER production. They influence nuclear envelope expansion, nuclear pore complex formation and proper localization of inner nuclear membrane proteins. However each isoform have specific functions mainly depending on their tissue expression specificities. Developmental neurite growth regulatory factor with a role as a negative regulator of axon-axon adhesion and growth, and as a facilitator of neurite branching. Regulates neurite fasciculation, branching and extension in the developing nervous system1. Involved in down-regulation of growth, stabilization of wiring and restriction of plasticity in the adult CNS (By similarity). Regulates the radial migration of cortical neurons via an RTN4R-LINGO1 containing receptor complex2. Acts as a negative regulator of central nervous system angiogenesis. Inhibits spreading, migration and sprouting of primary brain microvascular endothelial cells (MVECs). Also induces the retraction of MVECs lamellipodia and filopodia in a ROCK pathway-dependent manner3. Mainly function in endothelial cells and vascular smooth muscle cells, is also involved in immune system regulation (Probable). Modulator of vascular remodeling, promotes the migration of endothelial cells but inhibits the migration of vascular smooth muscle cells4. Regulates endothelial sphingolipid biosynthesis with direct effects on vascular function and blood pressure. Inhibits serine palmitoyltransferase, SPTLC1, the rate-limiting enzyme of the novo sphingolipid biosynthetic pathway, thereby controlling production of endothelial sphingosine-1-phosphate (S1P)5. Required to promote macrophage homing and functions such as cytokine/chemokine gene expression involved in angiogenesis, arteriogenesis and tissue repair6. Mediates ICAM1 induced transendothelial migration of leukocytes such as monocytes and neutrophils and acute inflammation7. Necessary for immune responses triggered by nucleic acid sensing TLRs, such as TLR9, is required for proper TLR9 location to endolysosomes8. Also involved in immune response to LPS9. Plays a role in liver regeneration through the modulation of hepatocytes proliferation10. Reduces the anti-apoptotic activity of Bcl-xl and Bcl-2. This is likely consecutive to their change in subcellular location, from the mitochondria to the endoplasmic reticulum, after binding and sequestration. With isoform C, inhibits BACE1 activity and amyloid precursor protein processing (By similarity). Regulates cardiomyocyte apoptosis upon hypoxic conditions11. With isoform B, inhibits BACE1 activity and amyloid precursor protein processing (By similarity).

AlphaFold DB , UniProt , Accession Q99P72-3 (canonical: Q99P72), Species MOUSE (Mus musculus, Mouse), Gene Rtn4, Length 1,046 aa.

Structure Viewer
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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
1M45.4Very low44.2Very low236 Ų236124 Ų124100%1.16380%0.804SS**  0138.10169.6167.2169.300108.1
2A38.2Very low43.9Very low77 Ų77120.6 Ų120.664%0.63681%0.808SS**  trans27.5147.4146.100000121.7
3P46.5Very low43.6Very low122 Ų122117.6 Ų117.679%0.79281%0.811SS**  -128.8-94.6-66.524.1-2.4000118
4P50.7Low43.5Very low94 Ų94116.4 Ų116.461%0.6181%0.813SS**  -145.4-159.3-124.346.1-24.5000117
5L43.6Very low43.3Very low155 Ų155115.4 Ų115.481%0.81281%0.814SS**  trans67.1129.9156.6-64.7166.6000116.4
6A45.1Very low43.1Very low91 Ų91114.1 Ų114.175%0.75280%0.804SS**  cis83.997.627.700000117
7G43.5Very low42.8Very low90 Ų90118.4 Ų118.493%0.92881%0.809SS**  86.1154.2125.100000120.7
8G44.7Very low42.6Very low86 Ų86116.1 Ų116.189%0.88780%0.799SS**  trans153.6126158.200000118.2
9G44.4Very low42.2Very low69 Ų69122.4 Ų122.471%0.71180%0.804SS**  trans113.5117.4160.700000114.9
10Q41.2Very low42Very low163 Ų163122.1 Ų122.176%0.76280%0.799SS**  75.4140.653.5-63.6-17431.800113.5
11K42.4Very low42Very low181 Ų181121.5 Ų121.579%0.78780%0.795SS**  cis-169.2156.911.6-129.5168.7-173.8151.30113.4
12G40.9Very low41.7Very low83 Ų83116 Ų11686%0.85678%0.78SS**  trans81.5156.9158.300000116.9
13G40.9Very low41.6Very low82 Ų82119.6 Ų119.685%0.84579%0.787SS**  cis122.7146.7100000112.8
14A41Very low41.1Very low101 Ų101123.8 Ų123.884%0.83579%0.793SS**  cis-169.9166.9-8.600000111.5
15A40.8Very low40.6Very low101 Ų101124.5 Ų124.584%0.83580%0.796SS**  trans67.2168.6166.700000117.7
16S40.6Very low40.3Very low94 Ų94120.4 Ų120.466%0.65779%0.791SS**  cis-159.6149.38.851.50000114
17E37.7Very low40.2Very low188 Ų188122.4 Ų122.488%0.87979%0.794SS**  trans63.8161.3148.9-68.5-179.9136.300121.7
18A39Very low39.9Very low76 Ų76123.2 Ų123.263%0.62879%0.785SS**  cis-171.7150.4-29.600000113.1
19W35.2Very low39.5Very low236 Ų236122 Ų12289%0.89477%0.772SS**  trans68.9138.8161.1-73.838.4000119.3
20V38.5Very low39.1Very low117 Ų117123.6 Ų123.671%0.70977%0.773SS**  cis104.3138.524.6160.50000112.7
21P41.7Very low38.7Very low109 Ų109121.4 Ų121.471%0.70877%0.771SS**  cis-135.8179.6-26.238-19.6000115
22S39.3Very low38.1Very low122 Ų122117.9 Ų117.985%0.85377%0.768SS**  173.7143.1127.3-81.10000116.5
23L35.1Very low37.7Very low152 Ų152120.1 Ų120.180%0.79677%0.765SS**  trans-61.4147.3-175.8-62.5150.7000117.4V25L23-V25 HydrophobicContact CD2-CG2 4.45Å
24F35.9Very low37.4Very low209 Ų209119.4 Ų119.492%0.91775%0.751SS**  -153.3165.3114.3-134-99.1000111.8
25V41.3Very low36.9Very low109 Ų109119.7 Ų119.766%0.66175%0.754SS**  trans-133.7144.8-155.7171.30000114.3L23 V27L23-V25 HydrophobicContact CD2-CG2 4.45Å; V25-V27 HydrophobicContact CG1-CG2 3.68Å
26G37.7Very low36.6Very low70 Ų70123.9 Ų123.972%0.72275%0.753SS**  trans173.689.2164.800000111.2
27V42.3Very low36.1Very low133 Ų133125.1 Ų125.181%0.80676%0.762SS**  67.3126.870.4176.90000111.6V25V25-V27 HydrophobicContact CG1-CG2 3.68Å
28S36.9Very low36Very low106 Ų106124.1 Ų124.174%0.74176%0.762SS**  cis-170.2159.6-11.7-176.30000106.6
29G37.8Very low35.9Very low60 Ų60126.6 Ų126.662%0.61977%0.769SS**  cis-150.1174.27.100000111.4
30S35.4Very low36Very low103 Ų103120.9 Ų120.972%0.7276%0.762SS**  82.6128.256.3-56.40000112.6
31T32.5Very low35.8Very low117 Ų117123 Ų12372%0.71877%0.768SS**  cis-170.9150.5112.60000111.2
32C29.1Very low35.5Very low108 Ų108123.8 Ų123.873%0.7377%0.772SS**  trans68158.4142.8-660000118.5
33T32.2Very low35.5Very low129 Ų129123 Ų12379%0.79177%0.774SS**  cis-162173.4-5.210.70000111.8
34A35.8Very low35.5Very low67 Ų67127.8 Ų127.855%0.55478%0.781SS**  trans83.586.7143.800000119.6K36A34-K36 HydrophobicContact CB-CG 4.24Å
35A30.5Very low35.6Very low108 Ų108123.2 Ų123.289%0.89378%0.775SS**  trans-62.6141.4132.900000109.6
36K34.8Very low35.4Very low188 Ų188122.1 Ų122.182%0.81777%0.773SS**  trans-139.690.6175.3-80.8-176.5179.6178.30112.3A34A34-K36 HydrophobicContact CB-CG 4.24Å
37S30.2Very low35.4Very low121 Ų121129.2 Ų129.285%0.84678%0.778SS**  trans-90.5110.9141.1178.20000107
38L34.3Very low35.2Very low167 Ų167130.3 Ų130.387%0.87478%0.778SS**  trans-155.8134.3159.6-146.172000114.1
39V38Very low35.1Very low128 Ų128130.8 Ų130.878%0.77678%0.781SS**  trans-61.5155.2173.5164.80000111.8
40P37.7Very low34.8Very low116 Ų116133 Ų13375%0.75379%0.794SS**  trans-92.4164.7-156.136.5-37.2000115.6
41I33.4Very low35.1Very low162 Ų162132.9 Ų132.983%0.83180%0.799SS**  trans-136.5128.6168.8-59.5-178.9000109.9
42P36.5Very low35.3Very low124 Ų124137.2 Ų137.281%0.80580%0.802SS**  trans-89.7155.3174.835.5-34.3000113
43A37.9Very low35.7Very low107 Ų107137.4 Ų137.488%0.88480%0.796SS**  trans-128.815317400000112
44R34.8Very low36Very low251 Ų251138.6 Ų138.695%0.94779%0.793SS**  trans-149.4121-155.9178.7-165.7-172.7-155.57.3113.4
45S38.9Very low36.1Very low113 Ų113141 Ų14179%0.7980%0.801SS**  trans-171.7139.7163.4-1760000109.1
46S37.5Very low36.4Very low87 Ų87143 Ų14361%0.60880%0.796SS**  cis-157153.8-12.646.80000108
47R37.2Very low36.3Very low219 Ų219143.8 Ų143.883%0.82680%0.799SS**  -169.9149.184.6-99173.5-92.3-138.9-3.8113.9
48L37.8Very low36.7Very low156 Ų156142.7 Ų142.782%0.81780%0.797SS**  trans58.1110154.7-86.568.1000121.1
49S34.6Very low36.9Very low116 Ų116142.6 Ų142.681%0.81180%0.797SS**  71.185.5118.4-167.80000119.8
50A31.4Very low37Very low107 Ų107142.1 Ų142.188%0.88480%0.796SS**  trans-124.3132.314900000109.8
51A41.7Very low37.1Very low99 Ų99141.1 Ų141.182%0.81880%0.798SS**  trans-161.9142.2-179.600000108.8
52R37.1Very low37.4Very low208 Ų208138 Ų13879%0.78580%0.797SS**  cis-168.2156.6-14.1-162.9-161156.9118.7-0.3106.8
53N37.9Very low37.6Very low112 Ų112137.4 Ų137.460%0.59980%0.795SS**  trans69.7159171.7-41.1-33.2000113.7
54E38.1Very low38Very low155 Ų155141.1 Ų141.172%0.72479%0.794SS**  cis-166.6172-33.4-112.8157.9172.600108.7
55T38.8Very low38.5Very low118 Ų118133.7 Ų133.772%0.72478%0.779SS**  trans60.3121.6155.247.80000122
56L35.7Very low38.9Very low150 Ų150134.8 Ų134.879%0.78578%0.78SS**  trans76.5121.9131.2-65.6168.8000122
57F32.8Very low39.3Very low203 Ų203138 Ų13889%0.8979%0.789SS**  trans-3.7120.2136.4-69.2-99.3000117.9
58A38.1Very low39.5Very low98 Ų98133 Ų13381%0.8179%0.785SS**  -177.7139.4126.500000113.1
59L39.7Very low39.3Very low166 Ų166130.7 Ų130.787%0.86978%0.782SS**  trans-79.6155149.9-64.6172.6000107.3
60P40Very low39.3Very low117 Ų117130.5 Ų130.576%0.7678%0.78SS**  -161.8169.555.244.5-22.7000120.8
61A38.4Very low39.8Very low96 Ų96130 Ų13079%0.79378%0.776SS**  trans60.5169.3135.400000124.5
62A40.2Very low39.6Very low97 Ų97132.2 Ų132.280%0.80277%0.77SS**  trans77131.3170.400000116.9
63S41.2Very low39.8Very low111 Ų111130.5 Ų130.578%0.77677%0.768SS**  cis-148.1136.3-5-47.10000108.2
64E45.8Very low39.9Very low184 Ų184131.3 Ų131.386%0.8677%0.771SS**  80.3163.478.6-117.4-149.2118.900114.7
65P45.2Very low40.4Very low95 Ų95131.5 Ų131.562%0.61777%0.774SS**  -130.7-167.3-111.942.9-25.1000115
66V46.8Very low40.4Very low137 Ų137132.4 Ų132.483%0.8377%0.774SS**  trans175.1151.9135.4147.80000112.3
67I46.2Very low40.5Very low154 Ų154132.4 Ų132.479%0.7977%0.774SS**  trans-143.9131.7-168.8-64164.9000106.9
68P41.8Very low40.6Very low114 Ų114130.9 Ų130.974%0.7477%0.767SS**  -161.2146.284.340.8-18.4000121.2
69S32.9Very low40.7Very low107 Ų107133.6 Ų133.675%0.74876%0.763SS**  55.6137.2124.9-144.20000125.5
70S36.2Very low40.6Very low112 Ų112134.3 Ų134.378%0.78376%0.762SS**  trans86.7155.6138.2-68.40000123.4
71A40.9Very low40.5Very low97 Ų97134 Ų13480%0.80276%0.76SS**  trans77.4147.8167.900000118.6
72E38.8Very low40.4Very low145 Ų145132.2 Ų132.268%0.67875%0.751SS**  cis178139.3-32.3163.7173153.100107.9
73K39.6Very low39.9Very low172 Ų172134.5 Ų134.575%0.74875%0.749SS**  trans59.4171169.7-78175179.2121.90115.6
74I41Very low39.6Very low129 Ų129135 Ų13566%0.66275%0.748SS**  cis-136.1160.4-13.57.8157.1000105
75M47.9Very low38.9Very low160 Ų160132.7 Ų132.779%0.78875%0.746SS**  cis-128.8172.617.1-57.1176.7-167.800108.3
76D38.8Very low38.3Very low136 Ų136132.9 Ų132.973%0.72775%0.75SS**  cis61.2133.840.4-80.5-55.1000115.2
77L38.7Very low37.7Very low150 Ų150131.7 Ų131.779%0.78575%0.748SS**  cis172.8167.2-30.4-124.4169.4000105.2
78K35.5Very low37Very low171 Ų171127.5 Ų127.574%0.74374%0.742SS**  trans68.2154.8173.8-75.2-179.6148.7-1480116.4
79E39.5Very low36.5Very low156 Ų156130.1 Ų130.173%0.72975%0.745SS**  cis-130.5-173.38.8-144.8144.2-139.300113.6
80Q36.7Very low36.4Very low181 Ų181133 Ų13385%0.84675%0.746SS**  trans-112.8-147.6-158.4-153.8-156.16.300112.8
81P38.7Very low36.5Very low111 Ų111133.7 Ų133.772%0.72174%0.741SS**  -114.2164.4-127.240.4-24.4000116.9
82G36.1Very low36Very low57 Ų57137.9 Ų137.959%0.58874%0.742SS**  trans179.1118.6165.200000108.3
83N29.6Very low36Very low145 Ų145136 Ų13678%0.77574%0.742SS**  81141.462.590.5-37.9000114.3
84T34.4Very low35.6Very low122 Ų122132.9 Ų132.975%0.74874%0.742SS**  trans60.9126.7179.155.50000116.8
85V32.6Very low35.5Very low136 Ų136133.1 Ų133.182%0.82475%0.749SS**  cis109.8134.825.5163.10000112.2
86S32.6Very low34.8Very low99 Ų99132.3 Ų132.369%0.69275%0.747SS**  trans84.4135.6163.7-165.90000119.5
87S33.6Very low34.4Very low112 Ų112135.2 Ų135.278%0.78375%0.754SS**  trans55.8134.8148.151.90000119.6
88G31.1Very low34.2Very low66 Ų66136.9 Ų136.968%0.6876%0.758SS**  cis138.617210.600000110.2
89Q30.7Very low34.2Very low169 Ų169134.3 Ų134.379%0.7976%0.756SS**  trans62.1120.8-165.9-87.7176.4-101.200112.5
90E31.6Very low34.2Very low167 Ų167131.7 Ų131.778%0.7876%0.761SS**  58.896.554.3-52.9-178.1129.300112.2
91D37.9Very low34.5Very low126 Ų126127.4 Ų127.467%0.67476%0.757SS**  -176.8117.2116.4-94.7-20.8000113.8
92F31.3Very low34.4Very low186 Ų186127.7 Ų127.782%0.81676%0.761SS**  trans63160.6142.7-70.5-63.8000120.8
93P38.6Very low34.5Very low106 Ų106132.6 Ų132.669%0.68877%0.773SS**  trans-132.7-158.4-132.945.6-28.9000114
94S31.2Very low34.8Very low106 Ų106131.1 Ų131.174%0.74177%0.771SS**  trans100.2123.3166.7-40.40000115.1
95V38Very low34.8Very low134 Ų134130 Ų13081%0.81277%0.769SS**  -178.7153.9104.7151.70000109.6
96L34.2Very low34.9Very low143 Ų143130.7 Ų130.775%0.74977%0.767SS**  trans-26.1138.7-177-75.681.6000118.3
97F30.6Very low34.9Very low197 Ų197131.1 Ų131.186%0.86477%0.77SS**  61.5111.368.3-95.5-82.8000114.9
98E34.3Very low35.1Very low185 Ų185131.1 Ų131.186%0.86477%0.767SS**  -164167.6122.6-128.2-171.3105.200113.9
99T34.5Very low35.2Very low117 Ų117135.3 Ų135.372%0.71877%0.773SS**  trans74.876.8159.7-37.30000121.4
100A41Very low35.1Very low100 Ų100132 Ų13283%0.82677%0.769SS**  80.3155.9123.500000124.5
101A42.7Very low35.1Very low92 Ų92129.8 Ų129.876%0.7677%0.767SS**  trans92.760.3159.100000122.2
102S36.3Very low34.8Very low116 Ų116130.1 Ų130.181%0.81177%0.773SS**  64.378.5125.6-500000122.8
103L37.6Very low34.8Very low161 Ų161126.6 Ų126.684%0.84377%0.771SS**  18.5159.2108.4-67.3176.8000121.5
104P37Very low34.5Very low113 Ų113131.1 Ų131.173%0.73478%0.781SS**  cis-139.2168.7-7.233.7-11.7000118.6
105S34Very low34.7Very low99 Ų99136.4 Ų136.469%0.69279%0.79SS**  trans-69177156.946.10000114.6
106L34.6Very low34.6Very low151 Ų151136.7 Ų136.779%0.79178%0.783SS**  cis-172.4138-10.9-105.3164.4000108.7
107S31.7Very low34.6Very low108 Ų108135.3 Ų135.376%0.75577%0.772SS**  trans46.9-169.8151.2-46.10000120
108P39.4Very low34.9Very low111 Ų111128.1 Ų128.172%0.72175%0.754SS**  cis-127.9-178-28.240.9-24.8000115.5
109L31.9Very low35.1Very low154 Ų154127.3 Ų127.381%0.80674%0.744SS**  trans63.8104146.8-81.2163.3000124.4
110S28.7Very low35.2Very low100 Ų100129 Ų12970%0.69975%0.748SS**  75.8149.9126.983.70000124.2
111T32.5Very low35.1Very low120 Ų120126.7 Ų126.774%0.73673%0.734SS**  trans86.595.4147.2-46.10000120.8
112V31.1Very low34.8Very low133 Ų133129.1 Ų129.181%0.80673%0.734SS**  trans38114.7132.1-171.40000119.6
113S31.4Very low34.8Very low112 Ų112130.8 Ų130.878%0.78373%0.733SS**  -179.5168.897.5-155.20000114.3
114F31.6Very low34.4Very low202 Ų202128.5 Ų128.589%0.88673%0.731SS**  trans-74.5144.3176.8-74.2-119.6000113.3
115K36.5Very low34.2Very low216 Ų216126.7 Ų126.794%0.93973%0.725SS**  -162.9169.6119.4-145.4160.6-178.6175.90112.6
116E35.3Very low34.2Very low140 Ų140128.5 Ų128.565%0.65473%0.732SS**  trans-125.5175.6-167.7-149-162.7130.900112
117H34.7Very low34.1Very low114 Ų114125.8 Ų125.853%0.52873%0.731SS.*  trans98.9137.3157.4-66.25.6000122.9A339H117-A339 CarbonylContact C-O 3.37Å; H117-A339 VanDerWaalsContact CA-N 3.34Å; H117-A339 HydrophobicContact CB-CB 4.29Å; H117-A339 VanDerWaalsContact CE1-CB 3.43Å; H117-A339 WeakPolarHBondContact CE1-CB 3.48Å; H117-A339 VanDerWaalsContact ND1-CB 3.3Å; H117-A339 WeakPolarHBondContact ND1-CB 3.25Å
118G35.8Very low33.9Very low47 Ų47125.2 Ų125.249%0.48573%0.727SS.*  trans160.935.8168.800000122.5T338 A339G118-T338 CarbonylContact C-O 3.48Å; G118-A339 CarbonylContact C-O 3.58Å; G118-A339 VanDerWaalsContact C-O 3.22Å; G118-A339 WeakPolarHBondContact CA-O 3.31Å; G118-A339 PolarHBondContact N-O 2.63Å
119Y38.6Very low33.7Very low168 Ų168125.7 Ų125.766%0.65973%0.728SS**  trans-60.7146.6-170-127.6-98000116.9T338 A339Y119-T338 WeakPolarHBondContact CA-O 3.46Å; Y119-T338 VanDerWaalsContact CB-O 3.27Å; Y119-T338 WeakPolarHBondContact CB-O 3.35Å; Y119-T338 WeakPolarHBondContact CD2-O 3.42Å; Y119-T338 VanDerWaalsContact N-C 3.3Å; Y119-T338 PolarHBondContact N-O 2.82Å; Y119-A339 HydrophobicContact CD2-CB 4.32Å; Y119-A339 PolarHBondContact N-O 3.32Å
120L36.4Very low33.5Very low153 Ų153126.9 Ų126.980%0.80173%0.73SS**  trans172.1149.6135-127.1125.9000111.5
121G39.7Very low33.8Very low51 Ų51125.1 Ų125.153%0.52673%0.727SS.*  cis159.4163.4-10.800000112.9
122N37.4Very low33.7Very low143 Ų143125.8 Ų125.877%0.76573%0.732SS**  trans71.6153.5165.9-60.4-22.8000120.6
123L34.5Very low34.1Very low150 Ų150126 Ų12679%0.78573%0.726SS**  cis-175.9149.5-40.9-119.8176.4000111.1
124S30.1Very low34.2Very low114 Ų114128.1 Ų128.180%0.79772%0.724SS**  trans69.9162.4158.1-123.60000117.6
125A32.4Very low34.2Very low75 Ų75126.5 Ų126.562%0.6272%0.719SS**  cis-160.1165.94.300000114.3
126V33.4Very low33.9Very low136 Ų136121.8 Ų121.882%0.82471%0.709SS**  trans73.4110.4139.6169.50000121.6
127A32.7Very low34.1Very low94 Ų94122.3 Ų122.378%0.77772%0.715SS**  trans60162.8130.500000122.4
128S28.2Very low34.1Very low97 Ų97122.7 Ų122.768%0.67872%0.721SS**  cis-177.8-176.8-30.3-1690000107.9
129T34.4Very low33.8Very low120 Ų120129.4 Ų129.474%0.73674%0.74SS**  trans64.5157.916153.50000118.6
130E29.3Very low33.7Very low180 Ų180125.8 Ų125.884%0.84174%0.744SS**  cis-173.7162.3-27.3-175.8169.2144.500108.2
131G34Very low33.5Very low63 Ų63123.6 Ų123.665%0.64974%0.742SS**  trans106.7112.6170.800000113.4
132T30Very low33Very low134 Ų134131.7 Ų131.782%0.82276%0.757SS**  cis85.9158.142.7-52.30000112.5
133I39.2Very low32.7Very low136 Ų136131.3 Ų131.370%0.69775%0.751SS**  trans90.193.8-177.6-58.9175000111.4
134E33.7Very low32.5Very low158 Ų158131.8 Ų131.874%0.73875%0.753SS**  88.4148.784.8-82.4166.5-15800112
135E32.9Very low32.9Very low168 Ų168131.6 Ų131.679%0.78575%0.749SS**  cis-153.3165.8-14.3-135.8176.8178.600112
136T28.6Very low32.9Very low116 Ų116135.5 Ų135.571%0.71276%0.755SS**  trans-48.5136166.4-53.40000114.1
137L39.2Very low32.8Very low152 Ų152138.9 Ų138.980%0.79675%0.752SS**  trans-155.6110.3146.2-106-177.7000113.2
138N35.5Very low33.1Very low122 Ų122139 Ų13965%0.65275%0.753SS**  trans33.2121.4139.9-54.58.1000119
139E29.6Very low33.5Very low188 Ų188139.9 Ų139.988%0.87976%0.755SS**  68.292.968-169175.2-175.300114.6
140A35.8Very low33.7Very low91 Ų91141.5 Ų141.575%0.75276%0.759SS**  trans-161102.5154.500000107.7
141S32.4Very low34.1Very low108 Ų108137.7 Ų137.776%0.75575%0.75SS**  82.280.371.470.70000116.1
142R29.1Very low33.9Very low221 Ų221144.7 Ų144.783%0.83476%0.763SS**  68.4152.4129.6-134.5-175.9-157.9-108.48.6121.1
143E31.4Very low34.4Very low135 Ų135144.5 Ų144.563%0.63176%0.761SS**  trans88.9135.3161.2-54.1-66.8130.300120.7
144L30Very low34.1Very low159 Ų159145.8 Ų145.883%0.83277%0.769SS**  trans85.6124.5148.1-131.2132.4000121.5
145P38.2Very low34Very low111 Ų111149.5 Ų149.572%0.72178%0.777SS**  trans-116.3152.5178.340.2-30.9000115.3
146E34Very low34.1Very low157 Ų157151.1 Ų151.173%0.73478%0.784SS**  trans-167.8139.9142.2-119.2-159.710400115
147R30.5Very low34.1Very low206 Ų206150.9 Ų150.978%0.77779%0.787SS**  trans61.993.9130.1-162.2-162.6-153.4117.8-5.6122.7
148A38.9Very low33.9Very low96 Ų96147.7 Ų147.779%0.79378%0.783SS**  trans-179109.2132.800000108.8
149T36.7Very low33.8Very low117 Ų117149.7 Ų149.772%0.71879%0.789SS**  67.19057.6-48.40000115
150N38.7Very low34.1Very low154 Ų154150.7 Ų150.782%0.82479%0.79SS**  -163.5155.7117.2-97.3-36.4000111.3
151P38.6Very low34.1Very low100 Ų100150.3 Ų150.365%0.64978%0.782SS**  trans-124.9147-156.838.9-23.8000116.2
152F29.6Very low34Very low209 Ų209151 Ų15192%0.91778%0.782SS**  trans-139.8168.5153.6-84.4-87.2000108.5
153V38.8Very low34.3Very low130 Ų130148.4 Ų148.479%0.78878%0.783SS**  trans68.576.7-177.2-164.90000115
154N33.9Very low34.4Very low163 Ų163147.9 Ų147.987%0.87278%0.781SS**  trans175.2103.2130.7-103.7-69.1000111.5
155R31.7Very low34.8Very low236 Ų236151.6 Ų151.689%0.89179%0.786SS**  trans18093.3149.4-176.4176.3-174.9175.80.5110.6
156E35.4Very low34.5Very low203 Ų203150.1 Ų150.195%0.94978%0.778SS**  trans-15382.6154.9-131.7163-12000111.4
157S28.8Very low34.7Very low110 Ų110150.6 Ų150.677%0.76978%0.78SS**  trans-149.5155.115651.80000107.3
158A33.6Very low34.9Very low86 Ų86148.8 Ų148.871%0.71178%0.782SS**SBendtrans78.7123.1-166.300000116.4
159E34.9Very low34.6Very low164 Ų164147.4 Ų147.477%0.76678%0.778SS**  trans67.486.2140.6-62170.414500119.9
160F34.5Very low34.5Very low209 Ų209146.7 Ų146.792%0.91778%0.778SS**  -118.9118.4103.6-85.6-97.8000107.3
161S36.1Very low34Very low82 Ų82144.4 Ų144.457%0.57377%0.773SS**  71.285.658.5-55.60000110.4
162V31.4Very low33.6Very low124 Ų124148.1 Ų148.175%0.75278%0.78SS**  76.8102.880.6172.50000111.7E164V162-E164 HydrophobicContact CG1-CB 4.29Å
163L34Very low33.9Very low166 Ų166144.8 Ų144.887%0.86977%0.772SS**  trans-16466.7156.8-128.1169.6000105.3
164E33.1Very low33.8Very low123 Ų123141.5 Ų141.558%0.57576%0.764SS**  5986.781.4-166.4171.4-161.900111.9V162 S166V162-E164 HydrophobicContact CG1-CB 4.29Å; E164-S166 WeakPolarHBondContact CG-OG 3.3Å; E164-S166 VanDerWaalsContact OE1-CB 3.3Å; E164-S166 WeakPolarHBondContact OE1-CB 3.44Å; E164-S166 PolarHBondContact OE1-OG 2.67Å
165Y38.2Very low33.8Very low238 Ų238138.9 Ų138.993%0.93376%0.759SS**  trans-103.679136.8-99-89.4000107.7
166S33.1Very low34.2Very low80 Ų80134 Ų13456%0.55976%0.757SS**  trans-65.9127152.5-69.90000107.5E164E164-S166 WeakPolarHBondContact CG-OG 3.3Å; E164-S166 VanDerWaalsContact OE1-CB 3.3Å; E164-S166 WeakPolarHBondContact OE1-CB 3.44Å; E164-S166 PolarHBondContact OE1-OG 2.67Å
167E38.6Very low34Very low167 Ų167133.6 Ų133.678%0.7875%0.752SS**  -147.5161.5120.2-157.8150.9-16600111.4
168M33.8Very low34.3Very low167 Ų167131.7 Ų131.782%0.82375%0.75SS**  trans-58.4155.9-170.2-55.6163.1-139.400112.8
169G33.6Very low34.1Very low68 Ų68136.7 Ų136.770%0.70176%0.759SS**  cis126.9-166.510.200000110.8
170S33Very low34.1Very low102 Ų102134.6 Ų134.671%0.71376%0.762SS**  trans65.8120.6-168-154.40000113.1
171S29.1Very low34.1Very low105 Ų105129.2 Ų129.273%0.73476%0.756SS**  cis69.1156.638.1-490000114.8
172F30.2Very low33.8Very low178 Ų178133.9 Ų133.978%0.78177%0.771SS**  trans75.7132.8-166.6-74-126.1000113.1
173N35.2Very low34Very low140 Ų140134.5 Ų134.575%0.74977%0.769SS**  cis-149.5148.7-12.6-113.3-8.1000107.1
174G38.5Very low34.1Very low61 Ų61132.1 Ų132.163%0.62976%0.761SS**  119.7113.864.300000106.8
175S33Very low34.3Very low108 Ų108133.8 Ų133.876%0.75577%0.769SS**  59.5122.6100.3-155.20000113.5K177S175-K177 PolarHBondContact OG-N 2.64Å
176P39.9Very low34.1Very low132 Ų132128.3 Ų128.386%0.85776%0.756SS**  -124.1121.578.78.312.3000113.8
177K30.9Very low34.3Very low196 Ų196129.7 Ų129.785%0.85276%0.761SS**  trans-87129.9166.3172.3-175.1177.3-179.50110.5S175S175-K177 PolarHBondContact OG-N 2.64Å
178G36.6Very low34.1Very low70 Ų70129.1 Ų129.172%0.72276%0.756SS**  trans89.9133148.600000117.4
179E29.1Very low34.3Very low191 Ų191128.3 Ų128.389%0.89375%0.75SS**  trans-61.2137.9153.6-57.1162.197.400109.8
180S34.1Very low34.2Very low120 Ų120132 Ų13284%0.83975%0.75SS**  trans-173.3112.3133.8-84.80000112.5
181A34.1Very low34.5Very low95 Ų95134 Ų13479%0.78576%0.757SS**  trans19.1109.7145.200000120.4
182M30.9Very low34.9Very low180 Ų180135 Ų13589%0.88775%0.753SS**  84145116.8-149.3178.1-16500120.4
183L34.8Very low35.4Very low138 Ų138131.1 Ų131.172%0.72374%0.743SS**  trans88.679.5151.3-140.3143.8000119.8
184V37.3Very low35.4Very low115 Ų115134 Ų13470%0.69774%0.744SS**  65.6115.6112.1170.60000119.6
185E35.8Very low35.4Very low158 Ų158135.8 Ų135.874%0.73875%0.747SS**  trans97119.1134.2-170.6169.7171.900122.3
186N34.8Very low35.8Very low123 Ų123138.3 Ų138.366%0.65874%0.744SS**  trans69.2154.1151.8-81.9-33.7000119.9
187T36.6Very low35.8Very low109 Ų109136.3 Ų136.367%0.66973%0.726SS**  cis-155154.88.4-2.90000112.3
188K35.2Very low36.2Very low156 Ų156133.8 Ų133.868%0.67872%0.715SS**  trans67.5125.7146-69.3-170.1103164.10119.5
189E36.9Very low36.5Very low149 Ų149138 Ų13870%0.69672%0.716SS**  71.7143.979.7-66.1167.8-143.500112.9
190E33.3Very low36.9Very low147 Ų147135.4 Ų135.469%0.68771%0.708SS**  cis-148.1164.517.3-153.9-178.9151.100112.1
191V38.8Very low37.2Very low143 Ų143136.5 Ų136.587%0.86770%0.704SS**  trans-128.9132174172.40000110.9
192I37.1Very low37.3Very low127 Ų127138.1 Ų138.165%0.65170%0.704SS**  trans-143.5136.1-173.6-79.5178.6000109
193V41Very low37.2Very low95 Ų95134.3 Ų134.358%0.57669%0.694SS**  cis-169.4153.6-12.469.30000111.8
194R34.4Very low37Very low202 Ų202133.1 Ų133.176%0.76270%0.697SS**  trans69.4152.3156.3-123.2160.7-79.7161.3-2116.8
195S39.4Very low36.9Very low98 Ų98132.2 Ų132.269%0.68570%0.701SS**  cis-145.6140.918.2-44.20000110.7
196K40.2Very low36.8Very low160 Ų160129 Ų12970%0.69670%0.701SS**  59.5141.495.1-59.1-159.6118.3-131.20115.8
197D40.3Very low36.6Very low91 Ų91130.5 Ų130.549%0.48771%0.709SS.*  cis-158.3125.24.1-118.610.6000110.8
198K40.7Very low36.6Very low143 Ų143132.9 Ų132.962%0.62271%0.712SS**  trans56.3-168.6143.7-37.6167.2-176.5176.70119.4
199E41Very low36.4Very low159 Ų159131.8 Ų131.874%0.74371%0.714SS**  cis-125.9132.6-12.3-79.3-175.9179.400107.4
200D39.3Very low36.5Very low136 Ų136129.8 Ų129.873%0.72771%0.714SS**  cis-146.7-121.5-8.5-151.156000110.5
201L40Very low36.3Very low143 Ų143130.3 Ų130.375%0.74972%0.716SS**  cis-157.3-147.3-2.1-140.4175.8000109.4
202V36.5Very low36.1Very low129 Ų129130.6 Ų130.678%0.78271%0.708SS**  trans-56.6128.3-178.2161.40000114.2
203C28.2Very low35.9Very low100 Ų100129.5 Ų129.568%0.67671%0.711SS**  cis89.11043.7-137.20000119.7
204S31.2Very low35.8Very low113 Ų113130.1 Ų130.179%0.7972%0.718SS**  trans58.3123.6140.668.20000124.1
205A35.3Very low35.7Very low95 Ų95125 Ų12579%0.78572%0.719SS**  trans-152.1129136.800000107.2
206A32.1Very low35.2Very low90 Ų90126 Ų12674%0.74472%0.72SS**  71.2132.356.400000112.8
207L31.4Very low34.7Very low155 Ų155124.8 Ų124.881%0.81272%0.721SS**  cis-165.4174.40.1-114.7172.6000110
208H36.3Very low34.2Very low159 Ų159126 Ų12674%0.73673%0.732SS**  trans70.7127.3165.2-93.6-134000118.3
209N30.4Very low33.7Very low134 Ų134127.3 Ų127.372%0.71774%0.737SS**  94.215464.7-123.717.9000111.2
210P39.5Very low33.2Very low107 Ų107125.7 Ų125.770%0.69574%0.738SS**  trans-125.1-154.9-132.239.4-19.4000112.9
211Q30.2Very low32.9Very low157 Ų157124.9 Ų124.973%0.73474%0.738SS**  trans88.3138.5163.9-164.9171.6-9.700117.2
212E33.7Very low32.9Very low150 Ų150125.4 Ų125.470%0.70173%0.734SS**  trans6286.9156.6-81.3162.7-151.400122.3
213S33Very low32.7Very low103 Ų103125.8 Ų125.872%0.7273%0.727SS**  72.7-17811075.60000118.4
214P39.6Very low33Very low109 Ų109128.7 Ų128.771%0.70874%0.736SS**  -130.8174.6-76.839.7-24.1000113.5
215A30.9Very low33.4Very low95 Ų95126.1 Ų126.179%0.78573%0.728SS**  trans63.8170.917500000113.3
216T28.7Very low33.5Very low118 Ų118128.6 Ų128.672%0.72473%0.733SS**  cis-140.71217.6-31.90000106.3
217L30.5Very low33.8Very low135 Ų135132.1 Ų132.171%0.70774%0.736SS**  30.610599.1-159.6-167.5000113.5K219L217-K219 HydrophobicContact CD2-CG 4.18Å
218T30.2Very low33.9Very low116 Ų116128.9 Ų128.971%0.71273%0.726SS**  trans-171.9110.9153.3-87.40000106.5
219K30.5Very low34.1Very low170 Ų170127.1 Ų127.174%0.73973%0.729SS**  71.8148.376.5-73.7176.7-178.7178.60111.3L217L217-K219 HydrophobicContact CD2-CG 4.18Å
220V30.8Very low34.3Very low125 Ų125128 Ų12876%0.75873%0.729SS**  cis-163.5-158.8-2.61240000106.1
221V32Very low34.2Very low119 Ų119130.5 Ų130.572%0.72173%0.729SS**  trans90.4120.8164.9-176.70000113.5
222K39.3Very low34.6Very low155 Ų155128.6 Ų128.667%0.67473%0.728SS**  cis-155.9154.2-4.7-110.4-177.3-174.5-107.10109.2
223E32.1Very low35Very low136 Ų136128.3 Ų128.364%0.63673%0.728SS**  46.4122.685.9-52.3174.8165.800112.1
224D36.5Very low35.3Very low161 Ų161128.2 Ų128.286%0.86172%0.72SS**  cis-146.2168.29.7-75-55000109.4
225G38.9Very low35.3Very low60 Ų60130.6 Ų130.662%0.61973%0.725SS**  cis158175.1-0.500000110.6
226V36.6Very low35.6Very low147 Ų147133.5 Ų133.589%0.89172%0.72SS**  trans69.5134.7170.3-1760000114.8
227M39.4Very low36Very low164 Ų164133.8 Ų133.881%0.80872%0.717SS**  cis-135.1163.614.4-166.153.117100113.2
228S32.4Very low36.3Very low87 Ų87135.3 Ų135.361%0.60872%0.72SS**  trans-72.5172.8178.655.80000115.3
229P41.2Very low36.6Very low121 Ų121138.3 Ų138.379%0.78673%0.729SS**  trans-94.1-177.1-16740.4-37000113.7
230E34.9Very low36.7Very low153 Ų153139.2 Ų139.272%0.71573%0.732SS**  trans177.1146.1132.2-171.9165.412900114
231K36.2Very low36.9Very low160 Ų160141.6 Ų141.670%0.69674%0.738SS**  trans74.5116.9153.3-93.4168.3-172.4146.40125.4
232T38.9Very low37Very low116 Ų116140.6 Ų140.671%0.71274%0.736SS**  48.3144.5121.1570000122.4
233M42.3Very low36.8Very low145 Ų145139.6 Ų139.671%0.71474%0.742SS**  cis-158.7176.4-4.3-137.2167.615800112.4
234D39.2Very low36.9Very low101 Ų101139.5 Ų139.554%0.5475%0.751SS.*  trans-37.7162.4173.1-51.5-50.5000116.9F236D234-F236 HydrophobicContact CB-CD2 4.36Å
235I39Very low36.8Very low159 Ų159136.4 Ų136.482%0.81575%0.748SS**  -150.3118.556.8-73.6153.9000108.1
236F38.8Very low36.9Very low156 Ų156139.3 Ų139.368%0.68476%0.756SS**  53136.988.7-80.7-111.9000113.9D234D234-F236 HydrophobicContact CB-CD2 4.36Å
237N36.8Very low37Very low124 Ų124139.2 Ų139.266%0.66376%0.755SS**  cis-154.1163.328.4-148.5-2.2000113.3
238E35.9Very low36.8Very low166 Ų166141.4 Ų141.478%0.77675%0.754SS**  trans58.6128141.6-154.4156.4-154.900120.9
239M36.5Very low37.2Very low180 Ų180144.3 Ų144.389%0.88776%0.758SS**  cis-135.6153.20.1-166.3178.5-174.600110.2
240K33.1Very low37.2Very low188 Ų188147.9 Ų147.982%0.81776%0.764SS**  trans-150.2169-169.7-163.1174.9-178.3179.30110.9
241M34.4Very low37.5Very low176 Ų176150.9 Ų150.987%0.86777%0.77SS**  trans79.4146.2-178.6-56.3151.654.700113.6
242S34.7Very low38.1Very low98 Ų98148 Ų14869%0.68578%0.777SS**  cis-155.9136.5-10.537.80000107.5
243V34.2Very low38.5Very low134 Ų134148 Ų14881%0.81277%0.772SS**  70.711860.4177.10000113.4
244V35.7Very low38.2Very low134 Ų134150.8 Ų150.881%0.81278%0.781SS**  trans87.4105.3163.71700000120.8
245A34.5Very low38.6Very low96 Ų96154.7 Ų154.779%0.79379%0.793SS**  trans71.8152.8134.800000123.9
246P39.4Very low38.5Very low121 Ų121152.6 Ų152.679%0.78679%0.79SS**  trans-124.2148.1-17240.6-24.9000116.3
247V39.1Very low38.4Very low144 Ų144155.1 Ų155.187%0.87380%0.801SS**  trans-145.5130.8167.1-179.50000113.1
248R35.7Very low38.5Very low211 Ų211157.2 Ų157.280%0.79681%0.806SS**  trans9.4155.3149.3-157.9174.7-71.7-75.97.3122.8
249E40.5Very low38.7Very low148 Ų148156.7 Ų156.769%0.69280%0.804SS**  trans-65.8159.9171.7-39.399.311800115.7
250E41.4Very low38.8Very low195 Ų195152.1 Ų152.191%0.91180%0.795SS**  trans-141144.5145.9-170.7165.3-156.500110
251Y41.6Very low39.2Very low216 Ų216152.2 Ų152.285%0.84779%0.791SS**  trans-91.6152-178.6-98.7-111.9000112.1
252A47.8Very low39.2Very low100 Ų100153.3 Ų153.383%0.82679%0.794SS**  trans-138.5122.4160.100000110.6
253D47.5Very low39.2Very low115 Ų115153.6 Ų153.662%0.61579%0.791SS**  trans-104.4129.4-172.9166.637.1000111.8
254F37.1Very low39.4Very low205 Ų205156.8 Ų156.890%0.89979%0.794SS**  trans-145.9145.2162.5-78.7-67.4000112.7
255K47.1Very low39.3Very low182 Ų182157 Ų15779%0.79179%0.79SS**  trans-94.7160.6-159.9-81.5179.1177.2175.10116.3
256P37.5Very low39.5Very low115 Ų115159.2 Ų159.275%0.74779%0.794SS**  trans-89.4168.1-176.837.4-38.2000114.5
257F36.2Very low39.2Very low209 Ų209163.5 Ų163.592%0.91780%0.796SS**  trans-155.9162.1160.1-132.7-88.4000112.9
258E39.4Very low38.9Very low168 Ų168165.8 Ų165.879%0.78580%0.797SS**  trans-110.2153.4-162.7-62.5176.5110.900116.9
259Q38.2Very low38.8Very low155 Ų155159.2 Ų159.272%0.72480%0.795SS**  trans40.4125.4136.9-166.2177.856.700122.5
260A40.6Very low38.6Very low85 Ų85157.5 Ų157.570%0.70280%0.8SS**  trans-154.5145.4138.900000110.2
261W39.5Very low38.3Very low190 Ų190159.1 Ų159.172%0.7280%0.798SS**  trans-139.1131.7-176.4-161.7-68.5000109.6
262E35.5Very low37.8Very low199 Ų199156 Ų15693%0.9380%0.795SS**  trans-151.8150.2164.7-144171.1-14400112.2
263V35.4Very low37.2Very low103 Ų103157.4 Ų157.462%0.62479%0.794SS**  trans-104.2143.5-165.4170.90000111.4
264K38.3Very low36.6Very low202 Ų202159 Ų15988%0.87880%0.801SS**  trans-154.3115.4153.5-136.7164-169.7164.50113.8
265D32.9Very low36.3Very low137 Ų137154.4 Ų154.473%0.73380%0.801SS**  trans-64.9147.5169.8-50.8-89.7000111.7
266T38.1Very low35.8Very low144 Ų144149.6 Ų149.688%0.88380%0.795SS**  trans-147.2141.2151.8-640000108.7
267Y32.8Very low35.6Very low211 Ų211155.9 Ų155.983%0.82780%0.804SS**  trans-93.6176.9-166.2-120.5-113.7000112.9
268E33.1Very low35.2Very low191 Ų191150 Ų15089%0.89380%0.795SS**  trans71.6151.9162.1-67.9-174.8134.600120
269G34Very low34.8Very low73 Ų73149.1 Ų149.175%0.75380%0.795SS**  trans118.859.3158.300000118.6
270S37.3Very low34.6Very low113 Ų113150.4 Ų150.479%0.7980%0.803SS**  trans148.484.7139.2-81.60000114.8
271R34.9Very low34.2Very low229 Ų229154.1 Ų154.186%0.86481%0.806SS**SBend-93.7174.7129.4-77-171.5171.4104.71.3108.5
272D30.4Very low33.6Very low150 Ų150149.6 Ų149.680%0.80280%0.804SS**  trans70.844.9163.3-51.8-22.8000119.2
273V36.3Very low33.5Very low130 Ų130148.7 Ų148.779%0.78880%0.797SS**SBendtrans-133.759.8157.1-1620000113.1
274L33.1Very low33.5Very low148 Ų148148.3 Ų148.378%0.77579%0.794SS**  trans-164.428.2144.5-113.6168.6000115.9A276L274-A276 PolarHBondContact O-N 2.96Å
275A31.4Very low33.4Very low109 Ų109145.4 Ų145.490%0.90179%0.788SS**  trans-72.250.1164.300000111.7
276A36.5Very low33.5Very low81 Ų81146.4 Ų146.467%0.66979%0.786SS**  trans-146.427.3-162.600000115.1L274L274-A276 PolarHBondContact O-N 2.96Å
277R32.8Very low33.3Very low246 Ų246149.2 Ų149.293%0.92879%0.786SS**  trans-125.847.8157.7-154.6-175179.6-174.6-0.5113
278A29.2Very low33.2Very low87 Ų87144.3 Ų144.372%0.71978%0.781SS**  trans-74.4164.1155.300000110.6
279N30.5Very low32.9Very low148 Ų148144 Ų14479%0.79178%0.777SS**  trans73.452.9153.9-153.217.6000119.2
280M33Very low32.7Very low182 Ų182148.6 Ų148.690%0.89778%0.779SS**  trans-147133138.6-97.9-176.6171.800107.9
281E33Very low32.3Very low163 Ų163150.2 Ų150.276%0.76278%0.779SS**  cis-138141.6-1.1-179.5162.1116.100111.4
282S27.8Very low32.3Very low96 Ų96143.8 Ų143.867%0.67177%0.769SS**  trans-104.5103.9-17961.10000112.6
283K32.7Very low32.2Very low179 Ų179144 Ų14478%0.77877%0.77SS**  trans-163.8128.5159.8-103.8144.5-175.1176.50109
284V34.8Very low31.9Very low95 Ų95144.4 Ų144.458%0.57676%0.763SS**  65.9124.385.8174.50000110.5K286V284-K286 HydrophobicContact CG1-CD 4.44Å
285D37.3Very low31.8Very low141 Ų141144 Ų14475%0.75476%0.757SS**  cis-107.3153.615.8-77.3-70.4000113.4
286K33.5Very low31.8Very low159 Ų159147.8 Ų147.869%0.69175%0.753SS**  cis83.3123.936.4-72179.7176.6165.50115.8V284V284-K286 HydrophobicContact CG1-CD 4.44Å
287K35.1Very low31.8Very low202 Ų202147.7 Ų147.788%0.87876%0.761SS**  trans70.2154.7165.8-64.4-173.6174.7-167.90116.2
288C31.1Very low31.8Very low108 Ų108145.1 Ų145.173%0.7376%0.759SS**  cis-127.7137.1-0.2-1420000112.3
289F26.8Very low32.2Very low184 Ų184144.3 Ų144.381%0.80776%0.758SS**  trans-80153.3153.8-124.7-103.7000107.9
290E30.1Very low32.7Very low170 Ų170145.5 Ų145.579%0.79476%0.756SS**  trans67162.8156.8-108.3160.5132.700120.6
291D28.2Very low33.1Very low148 Ų148143.2 Ų143.279%0.79175%0.748SS**  trans81.6135.7158.6-127.3-26.4000121.1
292S34.2Very low33.6Very low93 Ų93139.8 Ų139.865%0.6574%0.742SS**  trans62.9132.8165.6-640000119.9
293L28.2Very low34.2Very low155 Ų155143.8 Ų143.881%0.81275%0.75SS**  cis83.4137.334.3-168.9121.6000113.3
294E31.5Very low34.7Very low138 Ų138140.2 Ų140.265%0.64575%0.748SS**  trans72.3113.6174.3-68.6-75.879.900119.7
295Q29.4Very low34.8Very low139 Ų139145 Ų14565%0.6576%0.756SS**  28.3137.8129.6-51.2175.340.900120.1
296K32.9Very low34.9Very low189 Ų189145.7 Ų145.782%0.82276%0.759SS**  160.5105.884-166.1160.1-174.1163.50115.3
297G34.8Very low35.4Very low80 Ų80143.9 Ų143.983%0.82575%0.753SS**  trans80158.9162.300000115.8
298H33.5Very low35.5Very low192 Ų192141.5 Ų141.589%0.88975%0.75SS**  cis-155.7119.10.9-175.9-57.6000108.7
299G38.7Very low35.8Very low69 Ų69140.5 Ų140.571%0.71175%0.75SS**  trans-157-24.4-166.200000121.2
300K39.7Very low36.3Very low173 Ų173137.3 Ų137.375%0.75275%0.75SS**  trans69.8116.9-171.9-63.8-168.8168.1-167.70114.4
301D41.4Very low36.3Very low134 Ų134138.4 Ų138.472%0.71775%0.753SS**  105.6121.674.6-70.5-13.7000106.8
302S43.7Very low36.9Very low92 Ų92136.7 Ų136.764%0.64375%0.749SS**  cis-159.5151.3-1.5-76.80000111.8
303E41.4Very low37Very low179 Ų179144 Ų14484%0.83676%0.763SS**  trans59164.6150.9-67.5168.287.200120.2
304S42.3Very low37.3Very low104 Ų104142.6 Ų142.673%0.72776%0.761SS**  cis-167.9167-42.2720000106.8
305R37.9Very low37.5Very low197 Ų197141.3 Ų141.374%0.74376%0.764SS**  cis-152.9163.35.6-168.9176.5178.7133.24.7109.3E307R305-E307 IonicContact CZ-OE1 3.35Å; R305-E307 IonicContact NE-OE1 2.86Å; R305-E307 PolarHBondContact NE-OE1 2.71Å; R305-E307 IonicContact NH2-OE1 2.92Å; R305-E307 PolarHBondContact NH2-OE1 3.38Å
306N39.7Very low37.6Very low155 Ų155143.7 Ų143.783%0.82978%0.775SS**  trans-91.2-126.4179.5-50.7-13.7000111.8
307E42.5Very low37.7Very low121 Ų121142.6 Ų142.657%0.56578%0.778SS**  trans72.1127-171.5-32.8-59.4175.600113.7R305R305-E307 IonicContact CZ-OE1 3.35Å; R305-E307 IonicContact NE-OE1 2.86Å; R305-E307 PolarHBondContact NE-OE1 2.71Å; R305-E307 IonicContact NH2-OE1 2.92Å; R305-E307 PolarHBondContact NH2-OE1 3.38Å
308N38.1Very low37.8Very low151 Ų151145.1 Ų145.181%0.80778%0.777SS**  cis-157.9-166.1-16.6-142.5-76000110.3
309A37.6Very low38.1Very low88 Ų88145.1 Ų145.173%0.72777%0.774SS**  trans-125170.4-165.900000116.6
310S36.9Very low37.9Very low116 Ų116149 Ų14981%0.81178%0.779SS**  166.9148.2129.6-169.60000115.2
311F29.1Very low37.8Very low194 Ų194143.8 Ų143.885%0.85177%0.773SS**  trans-92.7-165.8165.7-71.8-103000110.8
312P41.7Very low37.5Very low111 Ų111142.7 Ų142.772%0.72178%0.776SS**  -133.9153.9-7539.8-24.5000115
313R35.3Very low37.1Very low247 Ų247148.2 Ų148.293%0.93278%0.783SS**  trans-173.9150.7147.1-113.8167.2177.3167.2-1.4115.1
314T35Very low36.9Very low125 Ų125143.5 Ų143.577%0.76778%0.775SS**  trans-57.3157.216542.80000113.2
315P37.1Very low36.6Very low111 Ų111147.6 Ų147.672%0.72178%0.776SS**  cis-143165.14042.1-23.9000119.6
316E31.3Very low36.7Very low189 Ų189146.4 Ų146.488%0.88378%0.782SS**  trans56.6149.2151.5-70.5-173.6142.500123.1
317L34Very low36.5Very low167 Ų167145.2 Ų145.287%0.87478%0.781SS**  trans86.3149.3165.2-150.966.5000118.5
318V36.5Very low36.1Very low132 Ų132144.8 Ų144.880%0.879%0.79SS**  trans82.796.5171.2-166.60000117.8
319K39.7Very low36Very low193 Ų193144.5 Ų144.584%0.83979%0.788SS**  trans-59.1163.9154.4-83.5-174174.5-171.70112.4
320D34.6Very low35.8Very low151 Ų151145 Ų14581%0.80779%0.787SS**  cis-166.3152.9-16.1-177.7-0.7000106.3
321G37.1Very low35.6Very low62 Ų62148.3 Ų148.364%0.63979%0.787SS**  trans-132.8-2-150.900000119.5
322S36.2Very low35.8Very low111 Ų111143.5 Ų143.578%0.77678%0.777SS**  trans69.3152.2166.682.70000121.4
323R34.4Very low35.2Very low209 Ų209143.6 Ų143.679%0.78978%0.78SS**  trans73.197.7153.8-171.2-177.3-76.4-163.4-4.4120.1Y325R323-Y325 HydrophobicContact CG-CD1 4.39Å; R323-Y325 HydrophobicContact CG-CE1 3.78Å
324A38.3Very low35.1Very low80 Ų80135.9 Ų135.966%0.66177%0.77SS**  trans-161.276.7143.200000113.2
325Y35.3Very low35.1Very low189 Ų189135.8 Ų135.874%0.74177%0.769SS**  trans5.6117.6153.520.8-103.3000120.7R323R323-Y325 HydrophobicContact CG-CD1 4.39Å; R323-Y325 HydrophobicContact CG-CE1 3.78Å
326I39.7Very low34.9Very low173 Ų173138.8 Ų138.889%0.88777%0.774SS**  trans-136.7149.6145.6-57.5-179.7000106.4
327T36Very low35Very low129 Ų129134.2 Ų134.279%0.79176%0.762SS**  trans-147.3120.8-176.8-580000112.3
328C33.4Very low34.9Very low113 Ų113128.8 Ų128.876%0.76474%0.736SS**  trans-154.4133.8160.4-90.60000109.9
329D35.9Very low35Very low144 Ų144123.6 Ų123.677%0.7771%0.707SS**  trans58.7130.3140.5-56.6-10.6000124.6
330S33.7Very low34.9Very low99 Ų99117.3 Ų117.369%0.69269%0.691SS**  118.1124.2119.5-88.10000122.1
331F33.5Very low35.2Very low185 Ų185116 Ų11681%0.81168%0.684SS**  trans67.3112.3142.5-76.9-69.3000124.3
332S32.3Very low35.3Very low93 Ų93120 Ų12065%0.6569%0.69SS**  51.9115.1129.166.40000122.7
333S30.5Very low35.4Very low113 Ų113122.4 Ų122.479%0.7969%0.686SS**  trans53.7120.4133.166.90000121.4
334A33.8Very low35.7Very low86 Ų86117.9 Ų117.971%0.71168%0.684SS**  139.5134.4112.900000114.7
335T34Very low35.5Very low122 Ų122119.3 Ų119.375%0.74868%0.684SS**  trans64.8119.5157.220.40000120.6
336E32.5Very low35.5Very low175 Ų175117 Ų11782%0.81868%0.684SS**  trans63108.3135.6-76.7-177.7124.300121.7
337S32.8Very low35.3Very low93 Ų93115.8 Ų115.865%0.6567%0.674SS**  88.6104.3112.7-145.10000118.6
338T33Very low35.2Very low52 Ų52115.5 Ų115.532%0.31967%0.668SS.*  93.8101.1111.8-65.40000116.9G118 Y119G118-T338 CarbonylContact C-O 3.48Å; Y119-T338 WeakPolarHBondContact CA-O 3.46Å; Y119-T338 VanDerWaalsContact CB-O 3.27Å; Y119-T338 WeakPolarHBondContact CB-O 3.35Å; Y119-T338 WeakPolarHBondContact CD2-O 3.42Å; Y119-T338 VanDerWaalsContact N-C 3.3Å; Y119-T338 PolarHBondContact N-O 2.82Å
339A37.5Very low35.4Very low23 Ų23117.3 Ų117.319%0.1967%0.665CS.*  trans-101.4-174.6-179.500000120.3H117 G118 Y119H117-A339 CarbonylContact C-O 3.37Å; H117-A339 VanDerWaalsContact CA-N 3.34Å; H117-A339 HydrophobicContact CB-CB 4.29Å; H117-A339 VanDerWaalsContact CE1-CB 3.43Å; H117-A339 WeakPolarHBondContact CE1-CB 3.48Å; H117-A339 VanDerWaalsContact ND1-CB 3.3Å; H117-A339 WeakPolarHBondContact ND1-CB 3.25Å; G118-A339 CarbonylContact C-O 3.58Å; G118-A339 VanDerWaalsContact C-O 3.22Å; G118-A339 WeakPolarHBondContact CA-O 3.31Å; G118-A339 PolarHBondContact N-O 2.63Å; Y119-A339 HydrophobicContact CD2-CB 4.32Å; Y119-A339 PolarHBondContact N-O 3.32Å
340A39.4Very low35.3Very low61 Ų61116.1 Ų116.150%0.50466%0.663SS.*  trans-160.2148.6177.500000110.8
341N40.2Very low35.4Very low123 Ų123115.6 Ų115.666%0.65866%0.659SS**  cis-165.8-161.8-9.9-131.7-40.9000108.9
342I39.8Very low35.3Very low148 Ų148115.1 Ų115.176%0.75966%0.66SS**  trans90.1102.6161.8-50.2170.2000114.1
343F38.2Very low35.5Very low161 Ų161116 Ų11671%0.70666%0.657SS**  74.9148.255.1-71-69.1000113.7
344P39.9Very low35.9Very low114 Ų114118.9 Ų118.974%0.7466%0.655SS**  cis-132.6146.533.143.8-26.4000117.3
345V33.3Very low36.5Very low110 Ų110119.7 Ų119.767%0.66765%0.652SS**  71.2120.9101-1780000113.5
346L36.8Very low37.1Very low139 Ų139119.8 Ų119.873%0.72865%0.647SS**  175.4149.288.4-164.883.6000107.1
347E35.9Very low37.3Very low149 Ų149121.4 Ų121.470%0.69666%0.655SS**  cis-150.8153.5-23.4-98.9165.4171.200105.5
348D32.3Very low37.9Very low123 Ų123125.9 Ų125.966%0.65866%0.663SS**  56.9127.579.8-115.7-25.3000114
349H39.2Very low38.6Very low151 Ų151131.1 Ų131.170%0.69968%0.681SS**  cis-151.1164.542.6-83.7-50.3000117.5
350T33.8Very low38.9Very low118 Ų118138.1 Ų138.172%0.72471%0.714SS**  trans-18.7163.1149.130.40000119.8
351S35.8Very low39.3Very low89 Ų89143.5 Ų143.562%0.62273%0.729SS**  cis-169.4174.13.440.30000111.5
352E31.5Very low39.6Very low174 Ų174144 Ų14481%0.81373%0.727SS**  trans46.2130.5142.9-78.8-179.694.400121.1
353N35.2Very low40Very low112 Ų112148.3 Ų148.360%0.59973%0.734SS**  cis-169.6179.225.361116.3000111.4
354K39.3Very low40.1Very low173 Ų173150.6 Ų150.675%0.75274%0.743SS**  trans92.1142.2151.1-116.1-179.6-150.560.60120.7
355T45.7Very low39.9Very low103 Ų103148.5 Ų148.563%0.63274%0.736SS**  trans87.296144.3-62.40000117.5
356D46.5Very low40.2Very low124 Ų124152.1 Ų152.166%0.66375%0.745SS**  trans77.574.3136.9-53.29.2000117.7K358D356-K358 PolarHBondContact O-N 3.49Å
357E38.2Very low40.1Very low209 Ų209151.5 Ų151.598%0.97774%0.741SS**  24.337.495.9-151.6176.7175.800118.3
358K45.1Very low40Very low188 Ų188151.9 Ų151.982%0.81775%0.747SS**  trans-151.629.2179.6-149.1-173178.4-179.90114.7D356D356-K358 PolarHBondContact O-N 3.49Å
359K46.9Very low39.9Very low161 Ų161151.4 Ų151.470%0.775%0.748SS**SBendtrans-147.113.5-177-135.8171.4-175.2167.30117.7E362K359-E362 WeakPolarHBondContact CE-OE2 3.3Å; K359-E362 VanDerWaalsContact CG-OE2 3.23Å; K359-E362 WeakPolarHBondContact CG-OE2 3.35Å
360I44.1Very low39.4Very low171 Ų171151 Ų15188%0.87775%0.746SS**SBendtrans-105.7-16.8178.6-69.5176.5000112.2
361E48.6Very low39.2Very low174 Ų174153.2 Ų153.281%0.81375%0.746SS**SBendtrans-86-12.1172.2-63.7-178.2122.100113.5R363E361-R363 VanDerWaalsContact C-N 3.31Å; E361-R363 PolarHBondContact O-N 2.9Å; E361-R363 VanDerWaalsContact O-N 3.16Å
362E46.1Very low39.1Very low132 Ų132155.1 Ų155.162%0.61775%0.754SS**THydrogen-bonded Turntrans-74.3-5.3-166.4-149.4-168.4158.800115.7K359K359-E362 WeakPolarHBondContact CE-OE2 3.3Å; K359-E362 VanDerWaalsContact CG-OE2 3.23Å; K359-E362 WeakPolarHBondContact CG-OE2 3.35Å
363R48.2Very low38.9Very low240 Ų240151.8 Ų151.891%0.90675%0.75SS**THydrogen-bonded Turntrans-139.98.9-174.7-77.1-161.4174.4-157.3-3117.6E361E361-R363 VanDerWaalsContact C-N 3.31Å; E361-R363 PolarHBondContact O-N 2.9Å; E361-R363 VanDerWaalsContact O-N 3.16Å
364K39.3Very low38.7Very low208 Ų208151.7 Ų151.790%0.90476%0.756SS**THydrogen-bonded Turntrans-136.40175.4-72.7-167.2175.1-175.70115.8
365A35.2Very low38.1Very low71 Ų71152.4 Ų152.459%0.58776%0.759SS**  trans-144.774.1-179.400000113.4
366Q40Very low37.3Very low185 Ų185154.1 Ų154.186%0.86477%0.769SS**  trans-129.782.5151.6-158.9163.326.600106.4
367I35.1Very low36.6Very low126 Ų126152.9 Ų152.965%0.64677%0.771SS**  70.59494-66.8163.7000107.7T369I367-T369 WeakPolarHBondContact CG2-O 3.41Å
368I33.9Very low36.6Very low158 Ų158150.7 Ų150.781%0.8177%0.765SS**  49.191.859.3-54.3-179000111.1
369T30.2Very low36.2Very low113 Ų113146.8 Ų146.869%0.69376%0.759SS**  trans71.2136.7168.9-47.40000111.7I367I367-T369 WeakPolarHBondContact CG2-O 3.41Å
370E29.4Very low35.5Very low141 Ų141148.9 Ų148.966%0.65977%0.769SS**  cis-157.6157.636.5-154.2177.5155.800112.6
371K29.3Very low34.9Very low166 Ų166147.2 Ų147.272%0.72276%0.761SS**  trans45.4123.7149.5-84.1169.8-165.1153.80122.8
372T32.4Very low34.1Very low128 Ų128145.2 Ų145.279%0.78576%0.76SS**  87.1122.4126.7-54.40000120.5
373S27.7Very low33.6Very low104 Ų104142.4 Ų142.473%0.72776%0.759SS**  trans-39.9158.3162.1-1280000114.8
374P31.8Very low33.1Very low111 Ų111138 Ų13872%0.72175%0.752SS**  cis-147.5177.831.942.9-22.7000118.7
375K26.4Very low32.9Very low188 Ų188135.6 Ų135.682%0.81774%0.744SS**  trans23.5135.4150.1-75.9-178.4171.1177.20120.8
376T28.6Very low32.9Very low138 Ų138138 Ų13885%0.84775%0.747SS**  trans67.2152156.429.50000116.6
377S32.6Very low32.8Very low99 Ų99133.7 Ų133.769%0.69274%0.738SS**  cis-156.7162.8-0.440.70000111.7
378N38.4Very low32.8Very low162 Ų162136.4 Ų136.487%0.86675%0.747SS**  trans-57.3141.9174.2-56.3-22.5000113.4
379P36Very low32.8Very low107 Ų107132.2 Ų132.270%0.69574%0.736SS**  trans-128.885.6172.237.9-23000115.2
380F32.5Very low33Very low205 Ų205133.6 Ų133.690%0.89974%0.74SS**  trans-173.1101.7150.9-125.3-98000105.8
381L31.9Very low33.1Very low136 Ų136136 Ų13671%0.71274%0.744SS**  cis61.8132.643.9-48178.6000111.6
382V32.2Very low33.4Very low132 Ų132133.2 Ų133.280%0.874%0.741SS**  cis-159.2150.8-2.1111.40000105.6
383A34.6Very low33.5Very low72 Ų72131.7 Ų131.760%0.59573%0.732SS**  -175.8172.663.100000112.5
384I37.6Very low34Very low148 Ų148132.3 Ų132.376%0.75973%0.731SS**  trans6998.5152.7-67.9165.2000114.8
385H34.6Very low34.4Very low157 Ų157132.6 Ų132.673%0.72773%0.727SS**  76.713889.3-90.5-115.6000112.7
386D36Very low34.9Very low121 Ų121129.7 Ų129.765%0.64772%0.72SS**  cis-157.3165.17.9-143.8-13.5000113
387S36.9Very low35.3Very low96 Ų96130.1 Ų130.167%0.67172%0.716SS**  trans56.8166.2150.367.80000120.4
388E35.5Very low35.2Very low182 Ų182130.1 Ų130.185%0.8572%0.716SS**  cis175.7140.9-32.2-179.2-179.416600105.1
389A34.3Very low34.9Very low70 Ų70131.3 Ų131.358%0.57971%0.713SS**  cis-160.5-161.1-27.500000105.7
390D34.2Very low34.7Very low143 Ų143132 Ų13277%0.76572%0.715SS**  trans60.3136.7139.2-81.122.7000121.8
391Y31.7Very low34.6Very low190 Ų190126.7 Ų126.775%0.74570%0.7SS**  cis-167.8173.1-11.5-162.4-158.1000109.9
392V35.1Very low34.5Very low108 Ų108129 Ų12966%0.65571%0.708SS**  trans73.1145.4147.3139.30000118.2
393T34.1Very low34.4Very low97 Ų97126.5 Ų126.560%0.59570%0.7SS**  cis178.5-170.1-28-96.80000104.9
394T38.2Very low34.2Very low116 Ų116129.6 Ų129.671%0.71271%0.711SS**  trans86.5130.9168.573.90000114.3
395D41.7Very low34.1Very low118 Ų118128.8 Ų128.863%0.63171%0.713SS**  cis-161.7150.81.9-125.415.1000115.6
396N37.1Very low34.1Very low127 Ų127124.9 Ų124.968%0.67971%0.708SS**  trans64.6151.5150.7-58.1-37.8000119.1
397L37.1Very low33.8Very low147 Ų147125.6 Ų125.677%0.7772%0.717SS**  cis-156.9129.2-4.5-15065.2000105.8
398S28.9Very low34Very low98 Ų98129.6 Ų129.669%0.68573%0.727SS**  cis73.396.749.2-1680000116.3
399K32.3Very low34.1Very low187 Ų187125.7 Ų125.781%0.81372%0.718SS**  162.3141.1129.3-96.7-170.1169.8-175.50116.6
400V33.1Very low34.1Very low121 Ų121131.5 Ų131.573%0.73373%0.733SS**  trans68.8144.7134.8168.20000119.4
401T29.2Very low33.9Very low95 Ų95128.2 Ų128.258%0.58373%0.732SS**  cis-176.9147.1-20-82.90000108.1
402E29.9Very low34.2Very low185 Ų185127.4 Ų127.486%0.86474%0.74SS**  trans61.7161.7164.3-75.3166.3144.100118
403A30.4Very low35Very low78 Ų78128.5 Ų128.565%0.64575%0.747SS**  cis-169.8156-29.700000112.2
404V31.1Very low35.5Very low137 Ų137129.7 Ų129.783%0.8376%0.757SS**  trans71.4148.5148.3164.40000118.9
405V35.8Very low35.4Very low131 Ų131131.4 Ų131.479%0.79476%0.761SS**  trans67133.3-174.2-157.90000115
406A34.6Very low35.3Very low75 Ų75132.7 Ų132.762%0.6277%0.768SS**  cis139.9129-25.300000112
407T29.3Very low35.8Very low136 Ų136133.1 Ų133.183%0.83477%0.774SS**  trans67.1148.6155.853.30000122.6
408M39.9Very low35.9Very low180 Ų180133.2 Ų133.289%0.88777%0.771SS**  trans89.4149.6158.2-88.6-153.6137.600119.9
409P39.2Very low36.8Very low101 Ų101136.3 Ų136.366%0.65677%0.774SS**  -142.6-150-11645-23.4000114.6
410E33.3Very low37.4Very low192 Ų192131.6 Ų131.690%0.89777%0.77SS**  trans-53.4149.4172-63149.7103.400114.4
411G31.1Very low37.5Very low73 Ų73131 Ų13175%0.75377%0.771SS**  trans-171.3138.7169.700000111.2
412L37.1Very low38.2Very low173 Ų173134.6 Ų134.691%0.90678%0.781SS**  trans-75.4156.1179.4-87.371.7000112
413T51.3Low38.4Very low132 Ų132131.9 Ų131.981%0.8178%0.782SS**SBendtrans-68.1158.5158.646.90000111.4
414P44.9Very low38.7Very low121 Ų121135.4 Ų135.479%0.78679%0.786SS**  cis-132.4161.2-46.937.3-23.4000111.8
415D37.4Very low39.1Very low152 Ų152137.2 Ų137.281%0.81379%0.789SS**  trans-148.1159.5172.4-169.227.5000113.7
416L39Very low39.2Very low146 Ų146135.9 Ų135.976%0.76478%0.778SS**  trans80.165.4154.2-148.176000120.8
417V46.1Very low39.2Very low135 Ų135141.4 Ų141.482%0.81879%0.791SS**  -162.3136.8129.3-99.10000108.8
418Q40.9Very low39.6Very low150 Ų150138.9 Ų138.970%0.70178%0.784SS**SBendcis-158.9152.42.2176.7168.7-47.500110.6
419E46.6Very low39.5Very low162 Ų162137 Ų13776%0.75778%0.783SS**  trans56108.3169.6-75.7165.111600117.2
420A46.1Very low39.2Very low88 Ų88135.3 Ų135.373%0.72778%0.783SS**  89.9145.756.400000113.7
421C34.7Very low39.3Very low109 Ų109132.3 Ų132.374%0.73678%0.779SS**  trans66.7131-172.3-57.90000114.8
422E43.3Very low39.6Very low170 Ų170137.4 Ų137.479%0.79478%0.78SS**  cis-159.6131.6-10.2-132.2150.6-124.400110
423S35.2Very low39.6Very low129 Ų129136.3 Ų136.390%0.90277%0.773SS**  trans-137.662.6173.868.60000110.1
424E36.4Very low39Very low152 Ų152134.1 Ų134.171%0.7177%0.769SS**  trans-110.2139.2177.5-143.3168.7120.700111.2N426E424-N426 WeakPolarHBondContact CG-OD1 3.31Å; E424-N426 PolarHBondContact OE1-ND2 3.1Å
425L38.8Very low38.5Very low174 Ų174138.1 Ų138.191%0.91177%0.769SS**  trans-122.978.6-170.6-165.1174.7000108.3
426N38.2Very low38.6Very low104 Ų104137.7 Ų137.756%0.55676%0.763SS**  trans-154.992.1-176.647.3-5.7000113.1E424E424-N426 WeakPolarHBondContact CG-OD1 3.31Å; E424-N426 PolarHBondContact OE1-ND2 3.1Å
427E34.4Very low38.4Very low191 Ų191136.1 Ų136.189%0.89376%0.759SS**  12135.2128.5-165.6171.2-173.500120
428A37.2Very low38.2Very low83 Ų83136.7 Ų136.769%0.68675%0.751SS**  trans87.9126.6160.800000120.3
429T37.5Very low38Very low140 Ų140134.5 Ų134.586%0.85975%0.747SS**  trans6197.3158.1-36.50000116.2
430G33.1Very low37.7Very low65 Ų65133 Ų13367%0.6774%0.744SS**  cis91.7107.822.600000112.5
431T36.7Very low37.1Very low130 Ų130135.1 Ų135.180%0.79874%0.743SS**  trans177.8134.4157.4-79.40000111.5
432K36.7Very low37.4Very low180 Ų180135.7 Ų135.778%0.78374%0.743SS**  trans61.7125.7170-75.5178170.8-176.40117.7
433I37.6Very low37Very low150 Ų150135.7 Ų135.777%0.76974%0.743SS**  cis97.9142.438.9-70.6163.3000112.5
434A39.1Very low37.2Very low86 Ų86135.7 Ų135.771%0.71174%0.737SS**  trans84112.2-169.300000112.1
435Y33.3Very low37.2Very low204 Ų204133.2 Ų133.280%0.874%0.737SS**  cis63.19421.4-56.3-77.4000116.5
436E40.7Very low37.1Very low144 Ų144132.8 Ų132.867%0.67373%0.73SS**  trans-151.3130.6133.3-76-166.7150.500105.5K438E436-K438 WeakPolarHBondContact OE1-CE 3.26Å; E436-K438 IonicContact OE1-NZ 2.67Å; E436-K438 PolarHBondContact OE1-NZ 2.93Å; E436-K438 IonicContact OE2-NZ 2.63Å; E436-K438 PolarHBondContact OE2-NZ 3.49Å
437T33.5Very low37Very low112 Ų112132.2 Ų132.269%0.68774%0.74SS**  cis6076.39-45.50000113.9V439T437-V439 HydrophobicContact CG2-CG2 4.26Å
438K41.8Very low37Very low148 Ų148129.5 Ų129.564%0.64373%0.73SS**  trans-12074155.4-78.9-160.9162.793.60110.4E436E436-K438 WeakPolarHBondContact OE1-CE 3.26Å; E436-K438 IonicContact OE1-NZ 2.67Å; E436-K438 PolarHBondContact OE1-NZ 2.93Å; E436-K438 IonicContact OE2-NZ 2.63Å; E436-K438 PolarHBondContact OE2-NZ 3.49Å
439V37.5Very low36.8Very low103 Ų103132.2 Ų132.262%0.62473%0.728SS**  trans-80.8113.5148.6-80.90000106.8T437T437-V439 HydrophobicContact CG2-CG2 4.26Å
440D39.6Very low36.5Very low130 Ų130132.9 Ų132.970%0.69572%0.722SS**  trans-148.989.4-177.6-165.313000105.7
441L34.3Very low36.5Very low134 Ų134134.8 Ų134.870%0.70273%0.725SS**  cis77.533.445.8-151.770.3000114.8
442V41.2Very low36.3Very low120 Ų120135.6 Ų135.673%0.72772%0.723SS**  trans-128.2100.7155.8-174.30000107
443Q34.1Very low36Very low171 Ų171137.2 Ų137.280%0.79973%0.725SS**  79.376.563.1-167.3-167.6-3.600114.3
444T39.5Very low36Very low129 Ų129134.7 Ų134.779%0.79172%0.719SS**  trans-161.6111.6140.735.90000106.4
445S35.6Very low35.6Very low99 Ų99136.8 Ų136.869%0.69272%0.723SS**  cis78.1138.347.780.60000114.4
446E38.6Very low35.6Very low166 Ų166131 Ų13178%0.77672%0.717SS**  trans73.1106.2176.7-142.7158.8-166.700113.5
447A34.4Very low35.4Very low91 Ų91132.2 Ų132.275%0.75272%0.723SS**  cis80.5165.331.400000115
448I35.2Very low35.5Very low134 Ų134133.7 Ų133.769%0.68773%0.726SS**  trans75.3116179.4-56.7169000112.5
449Q33.3Very low34.9Very low140 Ų140132 Ų13265%0.65473%0.731SS**  cis92.3132.938.2-177.4-176.6-5.600113.2
450E31.4Very low35Very low155 Ų155132.4 Ų132.472%0.72474%0.736SS**  trans67165.6160.2-81.8163.8-149.400121.7
451S32.4Very low34.4Very low105 Ų105131.3 Ų131.373%0.73474%0.739SS**  trans68124.7176.366.70000116.8
452I32.8Very low34.3Very low146 Ų146133.3 Ų133.375%0.74974%0.742SS**  cis78.894.339.3-56.1171.7000112.3
453Y30.2Very low33.9Very low214 Ų214134.3 Ų134.384%0.83974%0.739SS**  trans67.7169158.6-77.9-116.1000116.1
454P37.3Very low33.7Very low98 Ų98134.6 Ų134.664%0.63674%0.74SS**  -142.7-172.4-54.542.4-26.3000113.9
455T31.1Very low33.3Very low129 Ų129132.5 Ų132.579%0.79174%0.736SS**  trans77.1130.9144.2-63.50000120.1
456A34.2Very low33.2Very low83 Ų83137 Ų13769%0.68675%0.746SS**  trans68.8143.2160.200000117.4
457Q35.9Very low33.2Very low169 Ų169133.3 Ų133.379%0.7974%0.744SS**  cis-153.6149.9-9.4-123.6178.2-14.200110.6
458L35.7Very low33.7Very low144 Ų144134.4 Ų134.475%0.75474%0.742SS**  trans48.4100.8146.6-69.1164.3000119.3
459C28.9Very low34.3Very low112 Ų112134.3 Ų134.376%0.75775%0.749SS**  -24.7155.8123.8-570000114.1
460P38.6Very low34.4Very low111 Ų111132.1 Ų132.172%0.72175%0.75SS**  cis-155.7170.245.445.1-25.2000119.7
461S28.4Very low35.1Very low108 Ų108130.7 Ų130.776%0.75575%0.754SS**  trans58.6159.5135.5-67.70000123.1
462F32.6Very low35.7Very low175 Ų175132.1 Ų132.177%0.76876%0.758SS**  trans69.8130.1173.7-86.7-128.9000113.9
463E31.9Very low36.4Very low142 Ų142132 Ų13266%0.66476%0.758SS**  cis96.7131.442.2-171.8170.9136.300110.7
464E29.6Very low37.4Very low176 Ų176127.4 Ų127.482%0.82275%0.754SS**  trans63.3129.1177.1-77-165.4102.500122.2
465A32Very low37.7Very low85 Ų85128.1 Ų128.170%0.70275%0.753SS**  76.6160.812700000123.7
466E33.7Very low38.2Very low194 Ų194130 Ų13091%0.90776%0.757SS**  trans63.8150.2167.8-71.6-168.986.400119.4
467A38.2Very low38.9Very low88 Ų88130.9 Ų130.973%0.72775%0.753SS**  cis-132.5164.54.500000113
468T43.8Very low39.5Very low115 Ų115131 Ų13171%0.70676%0.755SS**  trans-86-174-178.257.80000113.3
469P47.8Very low40.1Very low131 Ų131131.1 Ų131.185%0.85175%0.752SS**  -134.4141.996.736.5-26.4000114.7
470S36.6Very low40.9Very low95 Ų95130.1 Ų130.166%0.66475%0.752SS**  trans-106.1160.5179.9-52.60000113.5
471P44.5Very low40.9Very low125 Ų125130.9 Ų130.981%0.81276%0.757SS**  -140.2153.9124.936.7-24.6000112.5
472V45.9Very low41.1Very low135 Ų135133 Ų13382%0.81876%0.759SS**  cis-158.7169.9-13.799.10000108.5
473L47.6Very low41Very low143 Ų143131.6 Ų131.675%0.74976%0.76SS**  trans-119.8156.7173.9-136.878.6000111.5D475L473-D475 HydrophobicContact CD2-CB 4.2Å
474P51.5Low41.2Very low117 Ų117130.2 Ų130.276%0.7677%0.765SS**  -134.2143.292.135-22.3000112.6
475D43.8Very low41.5Very low113 Ų113129.7 Ų129.760%0.60477%0.767SS**  71.193.557.5-176.530000113.9L473L473-D475 HydrophobicContact CD2-CB 4.2Å
476I41.3Very low41.7Very low170 Ų170132.5 Ų132.587%0.87277%0.77SS**  trans-143.1117.1139.3-44.9177.7000108.3
477V48.9Very low41.9Very low101 Ų101129.1 Ų129.161%0.61277%0.765SS**  trans-78.2150.3169.7174.50000110.9E479V477-E479 HydrophobicContact CG1-CG 4.23Å
478M48.7Very low41.6Very low170 Ų170129.3 Ų129.384%0.83776%0.761SS**  trans-176.7100.1144-92.8-84.9-75.900107.3
479E48.1Very low41Very low148 Ų148130.5 Ų130.569%0.69277%0.768SS**  68.6111.785.6-69.6-67.3172.700113.6V477V477-E479 HydrophobicContact CG1-CG 4.23Å
480A46.1Very low40.4Very low90 Ų90127.8 Ų127.874%0.74476%0.764SS**  trans-80.6147.6159.300000108.9
481P38.2Very low40.2Very low128 Ų128127.9 Ų127.983%0.83177%0.77SS**  -145.9172.5121.435.4-20.1000115
482L33.1Very low39.8Very low151 Ų151127.5 Ų127.579%0.79177%0.77SS**  trans-78.5164.1176-61.9167.2000113.1
483N30.9Very low39.2Very low147 Ų147127.5 Ų127.579%0.78677%0.77SS**  trans89.9153.8150.3-56.9-44.7000121
484S35.6Very low38.7Very low112 Ų112124.7 Ų124.778%0.78377%0.768SS**  trans81.388.3162.865.40000120.7
485L34.6Very low38Very low166 Ų166127.3 Ų127.387%0.86977%0.77SS**  68.1137.2109.1-158.867.3000121.7
486L37.2Very low37.6Very low144 Ų144127.5 Ų127.575%0.75478%0.778SS**  trans-32.1147.8162.6-103.968.3000116.1
487P37.3Very low36.9Very low123 Ų123124.2 Ų124.280%0.79977%0.769SS**  -132.5153.467.623.9-3.3000114.4
488S31.9Very low36.2Very low92 Ų92124.2 Ų124.264%0.64378%0.78SS**  cis82.8105.547.6-174.40000115.2
489T32.4Very low35.6Very low140 Ų140121.6 Ų121.686%0.85978%0.778SS**  trans79.7119.9138.5-48.70000121.9
490G34.8Very low35.2Very low74 Ų74120.4 Ų120.476%0.76378%0.784SS**  trans113.9150.6142.600000116.1
491A32.9Very low34.4Very low96 Ų96123.1 Ų123.179%0.79379%0.785SS**  cis-171.6-175.4-13.200000108.4
492S34Very low34.5Very low117 Ų117126.2 Ų126.282%0.81879%0.788SS**  trans69.7151171.8-94.60000116.3
493V35Very low34.7Very low135 Ų135124.1 Ų124.182%0.81878%0.782SS**  cis-171.4154.2-14.7107.90000106
494A36.2Very low34.8Very low85 Ų85122.3 Ų122.370%0.70278%0.778SS**  cis-153.4170.8-3.600000111.2
495Q37.2Very low35Very low172 Ų172122.1 Ų122.180%0.80478%0.777SS**  trans-62.6159.2160.4-93.7-150.4-2100112.9
496P35Very low35Very low117 Ų117119.3 Ų119.376%0.7677%0.768SS**  -149.8151.678.140-20.4000119.5
497S26.9Very low34.6Very low100 Ų100117.9 Ų117.970%0.69977%0.765SS**  trans33.1142.5131.7-48.90000124.3
498A34.1Very low34.3Very low101 Ų101116.3 Ų116.384%0.83576%0.757SS**  trans89.7137.2142.100000120.3
499S35.8Very low34.3Very low115 Ų115120.4 Ų120.480%0.80476%0.76SS**  trans-80.9157.1174.6-35.90000112.6
500P40.8Very low34.1Very low123 Ų123120 Ų12080%0.79975%0.752SS**  -120.6147.1115.2-0.821.5000110.7
501L29.3Very low34Very low148 Ų148120.1 Ų120.178%0.77575%0.753SS**  cis94.372.834-167.984.1000114.2V503L501-V503 HydrophobicContact CD1-CG2 3.56Å; L501-V503 HydrophobicContact CG-CG2 3.9Å
502E40.3Very low34Very low192 Ų192121.8 Ų121.890%0.89775%0.748SS**  trans-148.8112.6139.9-102.2178.2143.200105.5
503V35.8Very low34Very low108 Ų108124.9 Ų124.966%0.65575%0.746SS**  cis77.5121.733.6-171.10000112.1L501L501-V503 HydrophobicContact CD1-CG2 3.56Å; L501-V503 HydrophobicContact CG-CG2 3.9Å
504P33.7Very low34.1Very low109 Ų109124.5 Ų124.571%0.70874%0.739SS**  cis-130.4167.2-5.443-28.1000115.8
505S38.9Very low34Very low108 Ų108128 Ų12876%0.75574%0.741SS**  trans-60155.1148.660.20000110.7
506P35Very low33.9Very low106 Ų106123.7 Ų123.769%0.68873%0.728SS**  -156-172.388.136.8-15000115.4
507V29.4Very low34Very low115 Ų115125.8 Ų125.870%0.69773%0.727SS**  trans63.1105.9166.2-121.70000114.8Y509V507-Y509 HydrophobicContact CG1-CD2 3.91Å
508S30.1Very low34.1Very low89 Ų89128.2 Ų128.262%0.62273%0.732SS**  cis67.8162.434-158.30000114.2
509Y31.9Very low34.2Very low179 Ų179128.6 Ų128.670%0.70273%0.726SS**  trans70.3113.6176.5-60.6-73000113.3V507V507-Y509 HydrophobicContact CG1-CD2 3.91Å
510D28.7Very low34.4Very low132 Ų132128.6 Ų128.671%0.70672%0.724SS**  57.7105.779.9-69-52.7000110.7
511G32.2Very low34.6Very low76 Ų76127.9 Ų127.978%0.78472%0.719SS**  cis175.2-112.54.100000109.8
512I33.7Very low34.7Very low131 Ų131130.6 Ų130.667%0.67272%0.721SS**  cis-162140.710.3-125.8166.9000106.5
513K34Very low34.5Very low181 Ų181129.7 Ų129.779%0.78772%0.716SS**  trans65.2156.5167.8-72.2-178.3169.3-167.50115.7
514L37.4Very low34.6Very low127 Ų127133.4 Ų133.467%0.66573%0.727SS**  cis-155.3135-13.7-95.4155.9000101.4
515E33.9Very low34.7Very low158 Ų158132.5 Ų132.574%0.73873%0.728SS**  cis40.788.738.9-147.4-85.5115.500109.7
516P34.2Very low34.7Very low82 Ų82136.6 Ų136.653%0.53274%0.738SS.*  -146.9174.485.742.4-27.6000115.9
517E36.9Very low34.8Very low162 Ų162136 Ų13676%0.75774%0.736SS**  trans62.6116.8155.6-72.3158.996.200117.3
518N29.5Very low35Very low150 Ų150137.3 Ų137.380%0.80274%0.744SS**  67.5146.155.5-71.6-56.8000114.1
519P37.4Very low35.1Very low109 Ų109137.3 Ų137.371%0.70875%0.75SS**  trans-126.9-138.8-142.739.1-17.6000108.9
520P38.5Very low35.3Very low115 Ų115136.5 Ų136.575%0.74776%0.757SS**  cis-104.8-96.9-37.615.13.7000114.4
521P45Very low35.5Very low109 Ų109139 Ų13971%0.70876%0.761SS**  -123.2160.8-122.838.4-23.3000114.8
522Y31.7Very low35.2Very low205 Ų205141.3 Ų141.380%0.80476%0.76SS**  -159.8135124.359.8-86.7000112.2
523E36.8Very low35.1Very low173 Ų173139.8 Ų139.881%0.80876%0.761SS**  trans38.5124.5130.1-64.9158.9-141.600121.9
524E36.9Very low35.1Very low186 Ų186139 Ų13987%0.86977%0.766SS**  trans85.5113.1137.1-157.6158.3-129.600120.9
525A35.9Very low34.8Very low90 Ų90137.8 Ų137.874%0.74477%0.768SS**  trans53.4106150.100000120.7
526M40.2Very low34.7Very low194 Ų194138.5 Ų138.596%0.95677%0.768SS**  -152.2160122.4-118.6-175-167.700115.9
527S36.5Very low34.5Very low94 Ų94139.9 Ų139.966%0.65777%0.768SS**  trans-71.1144.1-171.750.40000117.2
528V33.9Very low34.2Very low142 Ų142140.7 Ų140.786%0.86177%0.772SS**  29.6110.6125.8-173.80000118.2
529A32.3Very low34.4Very low89 Ų89138.5 Ų138.574%0.73676%0.758SS**  trans-166.515914300000111.8
530L35.1Very low34.3Very low162 Ų162142.3 Ų142.385%0.84876%0.764SS**  trans70.7102.9-179.7-62154000114.4
531K33Very low34Very low184 Ų184144.7 Ų144.780%0.877%0.765SS**  81.710653.1-69.6-169.4171.9-1740115
532T27.2Very low33.5Very low124 Ų124144.4 Ų144.476%0.76176%0.763SS**  14.4142.9118.152.70000118.2
533S30.9Very low33.3Very low99 Ų99142.6 Ų142.669%0.69276%0.762SS**  cis179.2160.61.443.50000109
534D33.6Very low32.9Very low166 Ų166139 Ų13989%0.88876%0.756SS**  trans-157.6163.4137.6-106.4-35000112.1
535S31.7Very low32.7Very low101 Ų101138.6 Ų138.671%0.70675%0.752SS**  trans-158.5144.7-172.263.90000113.3
536K31.8Very low32.4Very low172 Ų172140.9 Ų140.975%0.74875%0.752SS**  trans69.2170.9162.8-121.4179.3166.7-1380112
537E30.2Very low31.8Very low111 Ų111136.3 Ų136.352%0.51975%0.745SS.*  cis-161.9143.81.4-172.9148.5-149.500111.1I539E537-I539 VanDerWaalsContact CD-CD1 3.46Å; E537-I539 HydrophobicContact CG-CD1 3.6Å; E537-I539 HydrophobicContact CG-CG1 3.73Å; E537-I539 WeakPolarHBondContact OE1-CD1 3.38Å
538E31.1Very low31.7Very low180 Ų180136.4 Ų136.484%0.84175%0.751SS**  trans-164.5128.7135.1-109.9-178.4124.400107.5
539I33.8Very low31.7Very low103 Ų103134.5 Ų134.553%0.52875%0.75SS.*  cis70.6123.641.7-61.9-179.6000109.7E537E537-I539 VanDerWaalsContact CD-CD1 3.46Å; E537-I539 HydrophobicContact CG-CD1 3.6Å; E537-I539 HydrophobicContact CG-CG1 3.73Å; E537-I539 WeakPolarHBondContact OE1-CD1 3.38Å
540K34.6Very low31.9Very low189 Ų189139.5 Ų139.582%0.82276%0.758SS**  -159.8158.654.2-145.2151-167.2168.30116.4
541E31.9Very low31.7Very low166 Ų166141.3 Ų141.378%0.77676%0.762SS**  trans-61.3175.7153.6-107.9-179.3118.600112.5
542P35.3Very low32Very low103 Ų103137.3 Ų137.367%0.66976%0.764SS**  cis-150173.339.143-21.5000120
543E27Very low32.7Very low167 Ų167140.4 Ų140.478%0.7877%0.77SS**  trans36127.7139.3-60.7171.3151.100121.7
544S28.1Very low33.5Very low98 Ų98140.2 Ų140.269%0.68577%0.774SS**  156.3157.995.360.50000117.1
545F32.6Very low34.1Very low176 Ų176137.5 Ų137.577%0.77277%0.766SS**  trans63.3113.4154.8-61.1-55.6000124.8
546N29.4Very low34.8Very low139 Ų139142.8 Ų142.874%0.74377%0.772SS**  63.2109.7120.5-60.9-3.5000124
547A28.6Very low35.2Very low98 Ų98142.4 Ų142.481%0.8178%0.776SS**  73.4168114.900000121.8
548A34.3Very low35.9Very low96 Ų96141 Ų14179%0.79378%0.779SS**  trans63.7108.9-17000000113.8
549A33.6Very low37.2Very low101 Ų101141.1 Ų141.184%0.83578%0.783SS**  cis7892.137.700000114.8
550Q35.4Very low38Very low195 Ų195140.7 Ų140.791%0.91180%0.795SS**  trans-153.7132.4145.7-116.6172.65.900109.4
551E32.6Very low38.3Very low199 Ų199136.6 Ų136.693%0.9379%0.789SS**  trans-84.1142168.5-64176.2124.800108.8
552A39Very low39.1Very low101 Ų101135.6 Ų135.684%0.83579%0.789SS**  trans-143.3142.4173.600000110
553E41.4Very low39.9Very low188 Ų188138.8 Ų138.888%0.87980%0.8SS**  trans-87.8134.2-157.6-56.5165116.900114.1
554A46.5Very low40.8Very low96 Ų96138.1 Ų138.179%0.79380%0.8SS**  trans62.1-176.1153.400000116.2
555P46.5Very low41.4Very low109 Ų109143.4 Ų143.471%0.70881%0.81SS**  cis-127162.9-12.227.5-6000116
556Y46.9Very low42Very low211 Ų211144.1 Ų144.183%0.82782%0.816SS**  trans58.6120145-83.1-119.5000122.2S558Y556-S558 PolarHBondContact O-N 2.93Å
557I41.5Very low42.6Very low164 Ų164144.2 Ų144.284%0.84182%0.822SS**  8.8106.6127.1-61.4163.7000116
558S42.9Very low43.2Very low82 Ų82148.5 Ų148.557%0.57382%0.822SS**  trans-1553.4155.7-159.60000115.6Y556 A560Y556-S558 PolarHBondContact O-N 2.93Å; S558-A560 PolarHBondContact O-N 3.48Å; S558-A560 VanDerWaalsContact O-N 3.09Å
559I59.4Low43.4Very low183 Ų183151.4 Ų151.494%0.93882%0.824SS**THydrogen-bonded Turntrans-77.47-171.5-84.1172.7000114.6
560A49.8Very low43.7Very low94 Ų94151.4 Ų151.478%0.77782%0.818SS**THydrogen-bonded Turntrans-117.915.5-170.600000115.7S558S558-A560 PolarHBondContact O-N 3.48Å; S558-A560 VanDerWaalsContact O-N 3.09Å
561C42.1Very low43.8Very low102 Ų102147.9 Ų147.969%0.68981%0.81SS**SBendtrans-133.1-15.4-174.6-73.90000117.2L563C561-L563 VanDerWaalsContact C-N 3.29Å; C561-L563 PolarHBondContact O-N 3.29Å
562D48.2Very low44Very low146 Ų146146.8 Ų146.878%0.78181%0.805SS**THydrogen-bonded Turntrans-86.534.9-167.2-68.8-14.6000115.8
563L51.7Low44.1Very low170 Ų170147.1 Ų147.189%0.8980%0.798SS**THydrogen-bonded Turntrans-120.72.5175.9-80.9172.7000114.9C561C561-L563 VanDerWaalsContact C-N 3.29Å; C561-L563 PolarHBondContact O-N 3.29Å
564I46.5Very low43.6Very low152 Ų152143.1 Ų143.178%0.77979%0.791SS**SBendtrans-143.160-174.6-38178.2000113.8
565K40.7Very low43.3Very low209 Ų209143.8 Ų143.891%0.90979%0.787SS**  trans-169.933.1154.2-115.7170.2-176178.20122.8
566E45.6Very low42.6Very low191 Ų191146.1 Ų146.189%0.89379%0.788SS**  trans-131.2137.2156.1-63.8-161.115700108.9
567T41.2Very low42.1Very low142 Ų142144.8 Ų144.887%0.87179%0.787SS**  cis-131.6171.121.7-60.30000111.9
568K41.5Very low41.9Very low187 Ų187141.7 Ų141.781%0.81378%0.78SS**  trans-90.6146.4-171.5-67.8-175.1179.8178.80116
569L39.2Very low41.6Very low158 Ų158143.8 Ų143.883%0.82779%0.785SS**  trans57.7119.9141.8-94.180.1000122.2
570S39.3Very low40.8Very low101 Ų101144.6 Ų144.671%0.70678%0.777SS**  92.8116.1125.5-131.10000122.2
571T38.2Very low40.3Very low121 Ų121145 Ų14574%0.74277%0.774SS**  trans79.9112.2136.1-49.30000120.7
572E37.2Very low40.2Very low176 Ų176147.1 Ų147.182%0.82277%0.774SS**  trans5.8162.4134.9-89.1-174.888.900122.9
573P39.2Very low39.8Very low108 Ų108147 Ų14770%0.70177%0.772SS**  cis-134.8-1762.930.2-6.5000116.9
574S31.5Very low39.2Very low104 Ų104142 Ų14273%0.72776%0.755SS**  trans-62.5-177.817060.50000117
575P39.5Very low38.9Very low109 Ų109143.1 Ų143.171%0.70875%0.754SS**  cis-136.7-151.4-35.631.7-7.8000112.6
576E32.5Very low38.7Very low158 Ų158141 Ų14174%0.73875%0.745SS**  trans87.3161.8163.5-54.4-158.3134.200119.8
577F37Very low38.4Very low184 Ų184138 Ų13881%0.80773%0.731SS**  trans67.9141.8179.1-49.7-78.1000118.4
578S36.4Very low38.1Very low98 Ų98138.9 Ų138.969%0.68572%0.723SS**  168.5140.2-56.457.60000110.3
579N37.6Very low37.8Very low126 Ų126134.6 Ų134.667%0.67472%0.717SS**  trans88.1157.2147.4-141.4-13.6000120.9
580Y41.8Very low37.6Very low200 Ų200133.4 Ų133.478%0.78472%0.716SS**  trans72120.6179.6-56.2-78.4000116.6
581S40.3Very low37.6Very low102 Ų102133.9 Ų133.971%0.71372%0.716SS**  cis77.414923.4-153.70000115.4
582E40.1Very low37.4Very low147 Ų147135.2 Ų135.269%0.68772%0.719SS**  cis-107.1-127.5-5.6-153.7-148.112000110.3A584E582-A584 PolarHBondContact OE1-N 2.89Å
583I39.3Very low37.1Very low145 Ų145134.9 Ų134.974%0.74472%0.717SS**  cis-143.6127.90.2-22.9173.4000112.1
584A39.6Very low36.9Very low63 Ų63135.2 Ų135.252%0.52172%0.721SS.*  trans48.2154.7148.600000123.1E582E582-A584 PolarHBondContact OE1-N 2.89Å
585K39.4Very low37Very low176 Ų176138.6 Ų138.677%0.76573%0.725SS**  cis-165.3158.4-16.8-94.5158.3-164.2165.50104.7
586F37Very low36.9Very low164 Ų164140 Ų14072%0.71973%0.726SS**  -158.7142.751.4-122.7-98.7000110
587E38.5Very low37.4Very low129 Ų129138 Ų13860%0.60372%0.724SS**  trans27.3145.3138.6-57.9-163.1145.300121.9
588K35.5Very low37.7Very low161 Ų161136.2 Ų136.270%0.772%0.723SS**  cis-168.8175.111.3-115.1165.6-173.6146.80107.4
589S34.3Very low38Very low96 Ų96138 Ų13867%0.67173%0.725SS**  cis-164.9144.1-0.242.60000111.4
590V35.2Very low38.4Very low134 Ų134136.9 Ų136.981%0.81273%0.727SS**  trans54110.7144.7-176.40000120
591P39.1Very low38.4Very low111 Ų111132 Ų13272%0.72172%0.722SS**  trans-96.6172.6153.239.7-32.6000112.1
592D35Very low38.6Very low148 Ų148132.7 Ų132.779%0.79172%0.724SS**  trans-170.6167.4140.7-108.7-22.5000115.7
593H30Very low38.7Very low169 Ų169134.4 Ų134.478%0.78273%0.732SS**  trans-57.9152.1-168-63.9-94.7000120.7
594C34.6Very low38.9Very low116 Ų116132.9 Ų132.978%0.78473%0.734SS**  171.5126.6120.5-81.80000108.8
595E35.1Very low39Very low174 Ų174139.1 Ų139.181%0.81375%0.753SS**  94.4155.459.1-155.3-179.3-146.300113
596L37Very low39.3Very low140 Ų140136.3 Ų136.373%0.73375%0.753SS**  trans78.1120.1-175.1-92.373.7000116.1
597V43.3Very low39.9Very low114 Ų114135.7 Ų135.769%0.69176%0.762SS**  84.2126.578.3150.60000110.6
598D43.6Very low40.2Very low148 Ų148136.7 Ų136.779%0.79177%0.771SS**  cis-142.9-175.823.6-82.2-56.3000110.5
599D42.9Very low40.7Very low134 Ų134135.7 Ų135.772%0.71777%0.773SS**  cis-174.3162.6-40.3-175.325.4000108.3
600S45.6Very low41.4Very low104 Ų104140 Ų14073%0.72778%0.78SS**  trans65.9150.2172.6-64.60000119.4
601S42.1Very low41.7Very low98 Ų98139.2 Ų139.269%0.68578%0.781SS**  cis-168.1144.4-27.5-170.40000110.3
602P43.3Very low42Very low115 Ų115141.5 Ų141.575%0.74779%0.787SS**  trans-120.1136.8172.837.6-25.5000115.3
603E41.4Very low42.3Very low183 Ų183141.3 Ų141.386%0.85579%0.786SS**  trans-136138.9165.7-70.5174.990.500108.8
604S44Very low43Very low113 Ų113138.2 Ų138.279%0.7978%0.783SS**  cis100.485.922.4-64.80000114.4
605E43.1Very low43.4Very low194 Ų194140.1 Ų140.191%0.90778%0.784SS**  trans-150.3131.5156-156.1167.5-138.900111.7
606P44.5Very low43.7Very low118 Ų118137.1 Ų137.177%0.76678%0.779SS**  trans-114.1156.7-178.239.9-32000114.3
607V50.2Low43.6Very low150 Ų150138.9 Ų138.991%0.90978%0.784SS**  trans-139.9133.7164.5-175.30000110.5
608D45.3Very low43.5Very low151 Ų151139.8 Ų139.881%0.80779%0.789SS**  trans-88.5-176.6-178.5-108.7-52.9000113.6
609L46.2Very low43.2Very low140 Ų140137.5 Ų137.573%0.73378%0.783SS**  trans85.2123175.4-50.2167.6000114.3
610F47.5Very low42.8Very low185 Ų185139.6 Ų139.681%0.81179%0.788SS**  cis-128.3153.711.6-77.1-95.3000113.1
611S41.4Very low42.4Very low119 Ų119139.7 Ų139.783%0.83279%0.785SS**  trans-143.4125161.3-70.60000109.2
612D46.2Very low42Very low158 Ų158142.1 Ų142.185%0.84579%0.785SS**  trans-161.8105165-99.3-37.4000102.7
613D41.8Very low41.8Very low145 Ų145144.2 Ų144.278%0.77579%0.785SS**  cis85.2156.447.9-157.813.7000113
614S43.8Very low41.5Very low103 Ų103144.1 Ų144.172%0.7278%0.784SS**  trans82.385.2-179.3-53.70000119.7
615I43Very low41.2Very low157 Ų157142.2 Ų142.281%0.80578%0.776SS**  -30.3174.3128.818.8170.8000116.1
616P41.9Very low40.9Very low110 Ų110139.1 Ų139.171%0.71477%0.77SS**  cis-139.5-174.3-11.537-15.2000116.5
617E33.6Very low40.4Very low178 Ų178141.9 Ų141.983%0.83277%0.774SS**  trans8.5129.6142.3-171.8179.2-172.600122.4
618V41.5Very low39.9Very low132 Ų132142.7 Ų142.780%0.877%0.773SS**  trans174.4151136.9142.40000112.4
619P38.7Very low39.4Very low101 Ų101142.7 Ų142.766%0.65677%0.77SS**  trans-112.1165-18041.4-34.9000116.7
620Q34.8Very low39Very low177 Ų177144.2 Ų144.283%0.82777%0.77SS**  trans70.6155.6173-48-176.27.800114.6
621T35.6Very low38.5Very low107 Ų107144.5 Ų144.566%0.65677%0.774SS**  cis-156.9155.719.2-28.40000112
622Q33.9Very low38.1Very low148 Ų148143.2 Ų143.269%0.69277%0.765SS**  trans47.7148.4148.9-92.2163.8-82.300124.7
623E39Very low37.7Very low160 Ų160143.5 Ų143.575%0.74877%0.766SS**  trans69149.5153.1-75.2141.9-145.900118.8
624E35.8Very low37.4Very low180 Ų180142 Ų14284%0.84176%0.762SS**  cis-144.2148.410.3-143.5-171.4156.200114.2
625A37.2Very low37Very low74 Ų74145.6 Ų145.661%0.61277%0.768SS**  trans34.1124146.400000125.1
626V37.4Very low36.6Very low129 Ų129143.5 Ų143.578%0.78276%0.762SS**  62.8111.1126.4-176.80000119.8
627M33.4Very low36.2Very low175 Ų175144 Ų14486%0.86277%0.768SS**  -162139.495.1-157.3161.8-69.100113.2
628L39.2Very low36.1Very low167 Ų167144.1 Ų144.187%0.87477%0.769SS**  trans-98.5155.1176.8-74.9162.1000111.4
629M35.8Very low35.4Very low152 Ų152144.2 Ų144.275%0.74977%0.77SS**  166.1127.3108.9176.8170-87.800113.8
630K37.1Very low35.1Very low171 Ų171145.3 Ų145.374%0.74377%0.774SS**  trans66154.6162.6-75.1169.8-177179.60116.1
631E37.4Very low35.1Very low192 Ų192143.1 Ų143.190%0.89777%0.773SS**  cis-119165.121.1-153.1161.2118.400114.4
632S32.8Very low34.9Very low92 Ų92145.6 Ų145.664%0.64378%0.777SS**  trans-162.4135.9-165.258.10000113.5
633L37.5Very low34.9Very low163 Ų163146.1 Ų146.185%0.85378%0.779SS**  trans153.9143.1158.9-90.2168.6000108.7
634T35.7Very low34.6Very low114 Ų114146.3 Ų146.370%0.69978%0.778SS**  cis-147.4157.5-5.4-33.30000109.9
635E35.1Very low34.4Very low178 Ų178145.4 Ų145.483%0.83277%0.773SS**  trans-73.8-171.8161.8-54.2156.9103.600110.1
636V36.4Very low34.2Very low113 Ų113149.7 Ų149.769%0.68578%0.778SS**  -148.5146.361.2169.50000111.4E638V636-E638 HydrophobicContact CG1-CG 3.91Å
637S31.6Very low33.8Very low120 Ų120149.2 Ų149.284%0.83977%0.767SS**  trans-127.2144.5155.9-68.90000108.3
638E32Very low33.7Very low182 Ų182150.6 Ų150.685%0.8576%0.763SS**  trans-126.8104.2175.1-73.6-162.2144.500112.3V636V636-E638 HydrophobicContact CG1-CG 3.91Å
639T27.5Very low33.3Very low134 Ų134148.8 Ų148.882%0.82275%0.753SS**  trans-147.8146.9149.657.90000109.7
640V33Very low33.1Very low124 Ų124146.7 Ų146.775%0.75275%0.754SS**  trans63.7101.2165.8-167.10000118.9
641T33.5Very low32.9Very low130 Ų130142.7 Ų142.780%0.79875%0.752SS**  -178.2120.6120.422.40000107.4
642Q32.7Very low32.6Very low159 Ų159138.7 Ų138.774%0.74375%0.746SS**  78.1125.554.8-154.7-152.682.900114.4
643H32.8Very low32.9Very low159 Ų159139.6 Ų139.674%0.73675%0.749SS**  trans70.4141.4170.2-103.9-83.7000115.6
644K32.8Very low32.6Very low165 Ų165137.6 Ų137.672%0.71774%0.736SS**  cis-168.813322.6-179.4173.8179.91770112.6
645H31.6Very low32.6Very low160 Ų160139.9 Ų139.974%0.74174%0.738SS**  trans63.4160.5164.6-93.9-94.4000117.3
646K33.3Very low32.7Very low164 Ų164138 Ų13871%0.71374%0.738SS**  cis-144.1112.83.7-173163.1-176.9179.80108.9
647E29.3Very low32.6Very low120 Ų120135.9 Ų135.956%0.56174%0.74SS**  72.7137105.7-156-153.4147.800116.8
648R30.1Very low33Very low203 Ų203139.9 Ų139.977%0.76674%0.742SS**  trans74.1140.7165.7-80.9161.5-178-89.6-8.6119.8
649L32.4Very low33.5Very low130 Ų130136 Ų13668%0.68173%0.733SS**  cis-173.8131.4-33.7-123.7177.7000110.4
650S30.3Very low33.7Very low108 Ų108139.2 Ų139.276%0.75573%0.731SS**  trans59.5164.2150.467.60000119.4
651A32.9Very low33.7Very low86 Ų86140 Ų14071%0.71173%0.731SS**  cis-147.3136.42.600000113.1
652S31.7Very low33.6Very low109 Ų109141.7 Ų141.776%0.76273%0.729SS**  4.7167.2113.4-68.80000121.2
653P37.9Very low33.8Very low111 Ų111138 Ų13872%0.72172%0.721SS**  cis-147-147.2-29.840.2-18.2000113.4
654Q31.3Very low34Very low121 Ų121139.8 Ų139.857%0.56573%0.727SS**  trans86.4122.3168.5-49.8-157.4-84.800116.5
655E35.9Very low34.4Very low162 Ų162139.6 Ų139.676%0.75773%0.729SS**  cis98.6150.823.2-165.9177.6-155.900114.4
656V38.5Very low34.8Very low137 Ų137138 Ų13883%0.8373%0.732SS**  trans78.6130.3-178.4-167.10000113.4
657G34.2Very low34.8Very low69 Ų69135.3 Ų135.371%0.71173%0.726SS**  cis-157.9177.34.500000114.7
658K38.5Very low35.2Very low204 Ų204136.5 Ų136.589%0.88774%0.735SS**  trans-96.8179.6-170.7-52.1173.4-175.4173.80111.2
659P42.5Very low35.5Very low101 Ų101133.6 Ų133.666%0.65673%0.73SS**  -134.2-149.6-6241.3-24.3000110.9
660Y31.7Very low35.9Very low202 Ų202133.7 Ų133.779%0.79273%0.73SS**  trans100.2130.7165.7-68.5-73.5000119.4
661L34.8Very low36.2Very low141 Ų141135.2 Ų135.274%0.73874%0.735SS**  trans51.9106.5150.5-64.4178.2000120.4
662E31.2Very low36.3Very low165 Ų165139.4 Ų139.477%0.77174%0.737SS**  81.3147.4112-163.1163.9-157.600119.3
663S35.1Very low36.5Very low82 Ų82141.4 Ų141.457%0.57374%0.739SS**  trans62.8112.7172660000118.1
664F37.1Very low36.4Very low195 Ų195140.5 Ų140.586%0.85574%0.741SS**  165137.4100-85.3-64.3000112.3
665Q42.2Very low36.6Very low162 Ų162139.6 Ų139.676%0.75775%0.754SS**  trans-76.5151164.5-80-170.9-13.600111.4N667Q665-N667 PolarHBondContact OE1-ND2 3.4Å
666P39.9Very low36.5Very low125 Ų125137.6 Ų137.681%0.81276%0.758SS**  trans-101157.8138.3-12.531000112.3
667N33.5Very low36.1Very low109 Ų109138 Ų13858%0.58376%0.755SS**  trans-118.2-174.1-178.8-101.6-101.2000111Q665Q665-N667 PolarHBondContact OE1-ND2 3.4Å
668L36.9Very low36.2Very low145 Ų145143.8 Ų143.876%0.75976%0.764SS**  trans82.1142.2161.9-62.9113.8000118.4
669H37.6Very low36.3Very low142 Ų142141.6 Ų141.666%0.65776%0.76SS**  cis-167.8149-27.9-118-164.7000111.1
670I40.3Very low36.1Very low132 Ų132142 Ų14268%0.67776%0.763SS**  trans32.4122.8137.8-52.2175.2000119
671T36.6Very low36.1Very low139 Ų139138 Ų13885%0.85376%0.76SS**  -167164112.8-65.20000109.9
672K35.8Very low36.1Very low175 Ų175138.1 Ų138.176%0.76176%0.76SS**  trans-148.1153.6-160.9-178.8-172.4-176.3-176.50109.3
673D35.4Very low36.3Very low150 Ų150135.5 Ų135.580%0.80276%0.756SS**  trans172168.9136-87.3-15.1000115.5
674A35.8Very low36.4Very low92 Ų92140.2 Ų140.276%0.7677%0.766SS**  trans2.6132.4175.700000120.9
675A35.1Very low36.5Very low103 Ų103139.2 Ų139.285%0.85176%0.761SS**  cis86.1114.43500000116.7
676S33.5Very low36.1Very low119 Ų119138.3 Ų138.383%0.83276%0.757SS**  trans-164.4166.5148.9-163.20000110.9
677N31Very low35.7Very low145 Ų145136.4 Ų136.478%0.77574%0.743SS**  trans-99.1162.4-176.9-49.4-55.9000112.4
678E35.6Very low36Very low191 Ų191138.6 Ų138.689%0.89375%0.754SS**  176.5157108.1-94.7171.1-158.600112.6
679I40.7Very low35.7Very low158 Ų158134.9 Ų134.981%0.8174%0.739SS**  trans-126.5159.4179.3-21.1175.2000107.6
680P37.7Very low35.3Very low110 Ų110133.5 Ų133.571%0.71474%0.737SS**  -154.1151.792.539.6-20.9000117.6
681T32.7Very low34.7Very low119 Ų119135.1 Ų135.173%0.7374%0.741SS**  trans19.6146.8143.164.20000122.2
682L33.6Very low34.2Very low142 Ų142134.5 Ų134.574%0.74373%0.73SS**  175.896.696.4-174.6109.4000115
683T35.6Very low34.2Very low110 Ų110133.1 Ų133.168%0.67573%0.726SS**  trans63.8159.5154.468.10000118.1
684K37.9Very low34.1Very low182 Ų182134.9 Ų134.979%0.79173%0.73SS**  cis-156.5146.717.8-141.1148.9-171.5173.10111.9
685K39.6Very low33.7Very low173 Ų173136.9 Ų136.975%0.75272%0.721SS**  trans68.792147.9-145.2168.6-169.1-165.10117
686E32.9Very low33.5Very low144 Ų144137.4 Ų137.467%0.67371%0.71SS**  88.1102.471.9176.5-176.2-147.700112.4
687T31.9Very low33.4Very low84 Ų84138.2 Ų138.252%0.51571%0.71SS.*  67.5130.6119.5-43.70000116.2
688I39.6Very low33.6Very low156 Ų156136.3 Ų136.380%0.871%0.714SS**  -139.2146.266.8-74.9159.8000114.3
689S29.9Very low33.4Very low66 Ų66130.6 Ų130.646%0.46269%0.689SS.*  trans-13.8142156.9-49.40000118.3
690L29.7Very low33.1Very low114 Ų114132 Ų13260%0.59769%0.686SS**  61.311562.5-86.7172000115.2
691Q28.4Very low32.9Very low166 Ų166132 Ų13278%0.77669%0.688SS**  trans62.4178.8149.6-78.3-167.8-93.500119.1
692M26.8Very low33.3Very low125 Ų125134.7 Ų134.762%0.61670%0.698SS**  trans71.5102.9159.2-104.246.6-155.900117.5E694M692-E694 VanDerWaalsContact C-N 3.28Å; M692-E694 PolarHBondContact O-N 2.87Å
693E35Very low33.4Very low146 Ų146133 Ų13368%0.68269%0.69SS**  44.146.989.3-155.5179.3135.800116.8F695E693-F695 HydrophobicContact CG-CD2 4.33Å
694E33.1Very low33.4Very low187 Ų187134.2 Ų134.287%0.87469%0.692SS**  trans-117.7106.4143.2-75.5-170.7129.800106.6M692M692-E694 VanDerWaalsContact C-N 3.28Å; M692-E694 PolarHBondContact O-N 2.87Å
695F28Very low33.5Very low134 Ų134133.1 Ų133.159%0.58869%0.694SS**  cis71.5112.733-138.4-26.6000111E693E693-F695 HydrophobicContact CG-CD2 4.33Å
696N31.1Very low33.3Very low114 Ų114131.1 Ų131.161%0.6169%0.691SS**  trans75.3150.6173.3-47.1-81.4000119.4E940N696-E940 WeakPolarHBondContact CA-OE1 3.44Å; N696-E940 PolarHBondContact N-OE1 3.06Å
697T30.6Very low33.3Very low136 Ų136128.7 Ų128.783%0.83469%0.69SS**  trans84.147.4156.8-26.20000119.4
698A34.4Very low33.5Very low105 Ų105130 Ų13087%0.86870%0.703SS**SBendtrans-134.624.2150.600000113.1
699I33.2Very low33.6Very low72 Ų72132.7 Ų132.737%0.36971%0.709SS.*SBendtrans-123.2144.9167.7-57.8179.3000106K944I699-K944 HydrophobicContact CD1-CD 4.01Å
700Y32.8Very low33.9Very low188 Ų188137.8 Ų137.874%0.73773%0.725SS**  trans73.794.1-169.3-69.6-84.6000116.8
701S34.2Very low34.3Very low109 Ų109137.4 Ų137.476%0.76272%0.724SS**  -165.398.5127-81.70000109.7
702N40.8Very low34.6Very low175 Ų175137.1 Ų137.194%0.93672%0.72SS**  trans179.963.6155.4-91.9-29.2000106.5
703D36.1Very low35.1Very low107 Ų107138 Ų13857%0.57273%0.725SS**  trans-81.7-179.2-179.6-71.2-77.8000112.2
704D35.3Very low35.1Very low136 Ų136138.5 Ų138.573%0.72772%0.724SS**  trans63.391.9171.6-70.7-21.9000117.7
705L39.2Very low35.1Very low158 Ų158137.2 Ų137.283%0.82772%0.718SS**  -164.898.185.1-96.9168.8000114.1
706L37.2Very low35.6Very low132 Ų132136.9 Ų136.969%0.69173%0.732SS**  trans43.1106.6134.6-62.9-179.5000119.3
707S31.7Very low35.6Very low92 Ų92139.7 Ų139.764%0.64374%0.742SS**  8293.294.5810000114.5
708S36.5Very low35.9Very low113 Ų113139.9 Ų139.979%0.7974%0.743SS**  70.511184.174.90000116.1
709K41.4Very low35.8Very low212 Ų212143.3 Ų143.392%0.92274%0.739SS**  -158.3140.4118-134.8170.9-177.2173.10113.4
710E36.1Very low36.2Very low172 Ų172146 Ų14680%0.80476%0.763SS**  trans-107.8145.4171.9173.1-176.1146.100108
711D37.9Very low36.4Very low107 Ų107144.2 Ų144.257%0.57277%0.767SS**  179141.8124.2-137.4-23.3000113.2
712K35.7Very low36.6Very low159 Ų159144.2 Ų144.269%0.69177%0.767SS**  trans55.4144143.4-92.1168.8-153.683.60120.7
713M36.1Very low36.6Very low145 Ų145141 Ų14171%0.71476%0.758SS**  cis-170.6151.116.6-173.2157.6174.500112.5
714K36.8Very low37Very low156 Ų156141.2 Ų141.268%0.67877%0.766SS**  trans63.5115155.2-84.1-170.4168.9-165.80123.2
715E32.2Very low37.2Very low160 Ų160141.8 Ų141.875%0.74877%0.767SS**  37.3108.2111.1-58.1172.2145.900119.4
716S38.7Very low37.2Very low126 Ų126142.7 Ų142.788%0.88177%0.767SS**  -155.3140.9128.1-36.40000110.1
717E31.2Very low37.4Very low173 Ų173143.4 Ų143.481%0.80877%0.77SS**  trans-87.9136.3174.3-59.3163.697.200111
718T37.5Very low38.1Very low140 Ų140146.1 Ų146.186%0.85978%0.776SS**  trans-154.8134.5146.4-37.20000111.1
719F30.7Very low38.3Very low178 Ų178147.2 Ų147.278%0.78177%0.773SS**  trans-81.2152.5175-66.1-112.3000111.4
720S41.6Very low38.3Very low127 Ų127145.8 Ų145.889%0.88877%0.769SS**  -174152.7128.5-81.10000112.6
721D36.8Very low38.4Very low152 Ų152146.7 Ų146.781%0.81377%0.771SS**  trans-104.9177.2-170-103.8-55.8000114.2
722S39.2Very low38.5Very low109 Ų109146 Ų14676%0.76277%0.773SS**  trans77.9143161.1-53.90000118.3
723S41.9Very low38.4Very low107 Ų107143.5 Ų143.575%0.74877%0.771SS**  cis-162.1159-11.6-94.30000111.3
724P42.5Very low38.3Very low112 Ų112144.8 Ų144.873%0.72777%0.772SS**  trans-99.2-160.8178.440.8-36.3000113.8
725I40.7Very low38.2Very low148 Ų148143 Ų14376%0.75978%0.775SS**  trans93.2138.3-176.8-55.5159.3000111.2
726E39.8Very low38.2Very low177 Ų177140.7 Ų140.783%0.82778%0.776SS**  cis-139.5-179.519.6-149.4138.2-136.300115.6
727I40.6Very low38.2Very low147 Ų147138.4 Ų138.475%0.75476%0.764SS**  trans-90.6161.1-173.7-65.3150.7000112.2
728I45.4Very low38.3Very low149 Ų149138.4 Ų138.476%0.76476%0.762SS**  trans172.4135.6137.3-88.7153.2000111.9
729D42.1Very low38.3Very low135 Ų135137.3 Ų137.372%0.72275%0.751SS**  trans18.8158154.9-58.8-48.7000123.6
730E42Very low38.5Very low182 Ų182135.7 Ų135.785%0.8575%0.75SS**  cis-148.3-168.413.7-143.4-180124.600113.6
731F36.2Very low38.4Very low191 Ų191133.6 Ų133.684%0.83874%0.736SS**  trans-110.3-153-159.8-93.3-77.1000114.6
732P41.3Very low38.8Very low94 Ų94131.5 Ų131.561%0.6173%0.73SS**  -141.8-165.4-104.542-18.5000118.5
733T33.2Very low38.7Very low106 Ų106135.3 Ų135.365%0.6573%0.733SS**  trans71.8162.1157.8290000117.8
734F33.6Very low38.3Very low171 Ų171137.6 Ų137.675%0.7573%0.732SS**  cis-154.4148.735.4-77.2-87.9000115.6
735V35.4Very low38Very low120 Ų120141.7 Ų141.773%0.72773%0.734SS**  trans63.3118.4131.1173.10000120.7
736S32.3Very low37.8Very low110 Ų110139.8 Ų139.877%0.76973%0.73SS**  82.215172.9126.60000115.5
737A37.7Very low37.6Very low78 Ų78137.5 Ų137.565%0.64572%0.723SS**  cis-176.8178.2-1100000111.2
738K32.8Very low37.5Very low174 Ų174136.6 Ų136.676%0.75772%0.719SS**  trans68145.6160.2-62.2-171.468.352.20117
739D37.9Very low36.9Very low116 Ų116137 Ų13762%0.6272%0.718SS**  cis-145.7-161.6-10.2-83.8-23.5000106.8
740D35.6Very low36.6Very low145 Ų145136.1 Ų136.178%0.77572%0.717SS**  cis-158.7-172.415.7-168.739.8000113.8
741S39.4Very low36.2Very low83 Ų83131.6 Ų131.658%0.5871%0.706SS**  trans-56.2170.1-17266.90000123
742P44.5Very low35.9Very low107 Ų107129.5 Ų129.570%0.69570%0.703SS**  trans-127.2-173.6-166.344.6-29.4000116.2
743K38Very low35.7Very low190 Ų190133.6 Ų133.683%0.82671%0.711SS**  trans177.7157.2159.3-99.6154.8175.7177.40111.3
744E33.7Very low35.8Very low155 Ų155133 Ų13372%0.72471%0.711SS**  cis-170.7139.1-19.4163.1169.5-166.400110.8
745Y35.2Very low35.8Very low197 Ų197132.4 Ų132.477%0.77371%0.711SS**  trans45125158.6-110-122.1000124.6
746T36.2Very low35.9Very low108 Ų108133.4 Ų133.466%0.66371%0.711SS**  trans61.2161.2139.2550000119.8
747D37Very low36.2Very low130 Ų130132.7 Ų132.770%0.69571%0.712SS**  cis-155171.319.2-151.3-1.6000114
748L38.7Very low36Very low128 Ų128135.8 Ų135.867%0.6772%0.717SS**  trans54.7125.8152.2-114.873.5000123.6
749E31.9Very low36.3Very low158 Ų158133 Ų13374%0.73871%0.714SS**  trans58.2124.1132.7-84.5-168.275.300124.8
750V36.3Very low36.2Very low115 Ų115135.7 Ų135.770%0.69772%0.723SS**  90.9131125.1164.80000122
751S33.3Very low36.2Very low88 Ų88134.6 Ų134.662%0.61573%0.727SS**  trans69.9112.7157-830000121.4
752N29.1Very low36Very low147 Ų147134 Ų13479%0.78673%0.734SS**  40.9118.6107.3-58.4-63.5000117.3
753K37.2Very low35.6Very low180 Ų180132.8 Ų132.878%0.78373%0.733SS**  148137.987.8-158.6-163.9173.1-173.80111.6
754S35.3Very low35.4Very low93 Ų93131.3 Ų131.365%0.6573%0.734SS**  trans62.4157.7148.847.80000120
755E34.2Very low35.5Very low159 Ų159129.2 Ų129.274%0.74374%0.737SS**  cis179.5172.8-24.2-166.2-172.512900106.9
756I37.4Very low35.2Very low141 Ų141127.8 Ų127.872%0.72374%0.742SS**  trans60.9117.9162.9-14.8176.8000119
757A39.6Very low35.1Very low95 Ų95128.1 Ų128.179%0.78575%0.746SS**  133.4150.1113.600000115.7
758N32.9Very low34.5Very low143 Ų143127.7 Ų127.777%0.76575%0.751SS**  cis-173166.1-31.2-169.211.5000107.9
759V39.2Very low34.1Very low114 Ų114125.4 Ų125.469%0.69175%0.746SS**  trans74.9146.1161.4-171.40000117.5
760Q35.7Very low34.1Very low174 Ų174125.2 Ų125.281%0.81375%0.745SS**  cis-176.5161.2-38.7-165164.413.800108.5
761S35.8Very low33.9Very low121 Ų121127.1 Ų127.185%0.84675%0.75SS**  trans74.8140169.2-154.60000114.4
762G34.5Very low34Very low72 Ų72128.5 Ų128.574%0.74276%0.757SS**  cis140.9152.87.500000108.7
763A35.6Very low34.3Very low81 Ų81127.3 Ų127.367%0.66976%0.759SS**  cis-159.1-171.8-1.400000109
764N35.4Very low34.2Very low159 Ų159125.8 Ų125.885%0.8576%0.76SS**  trans75.3145.8172.9-34-37.1000115.7
765S35.5Very low34.2Very low110 Ų110127.3 Ų127.377%0.76976%0.76SS**  cis-170.3138.2-29.445.80000110.2
766L28.8Very low34.3Very low168 Ų168124.7 Ų124.788%0.8876%0.759SS**  trans-76.6-174.8163.8-61.2164000110.1
767P33Very low34.1Very low115 Ų115126.5 Ų126.575%0.74776%0.762SS**  cis-135.6176-727.8-3.4000116.2
768C26.1Very low34.1Very low121 Ų121131.3 Ų131.382%0.81877%0.765SS**  trans31.9154.7134.3-153.70000125
769S30Very low34.1Very low79 Ų79131.3 Ų131.355%0.55277%0.765SS**  trans109.1125.1142.6-860000121.9
770E31.5Very low33.9Very low154 Ų154132.1 Ų132.172%0.7277%0.771SS**  trans75.9118.3135.2-68.6162.7-117.900119.1
771L31Very low34Very low155 Ų155134.4 Ų134.481%0.81277%0.774SS**  74.2157.284-74179.5000114.1
772P36.9Very low34Very low117 Ų117134.3 Ų134.376%0.7677%0.77SS**  cis-124.8-168.2-9.532.8-11.6000113.5
773C34Very low33.9Very low122 Ų122138.8 Ų138.882%0.82477%0.769SS**  trans-69.7160.2175.2-47.20000113.9
774D36.3Very low33.6Very low148 Ų148139.7 Ų139.779%0.79176%0.763SS**  trans-151.9157148.2-141.9-8.7000115.8
775L34.1Very low33.3Very low125 Ų125140.3 Ų140.365%0.65476%0.76SS**  trans-17.4147171.8-71.9159.5000119.7F777L775-F777 HydrophobicContact CD2-CD2 4.19Å; L775-F777 HydrophobicContact CD2-CE2 3.72Å
776S36.3Very low33Very low105 Ų105139 Ų13973%0.73476%0.757SS**  -176.4155.454.433.50000116.6
777F34.5Very low33.2Very low179 Ų179139.3 Ų139.379%0.78575%0.753SS**  trans-6.5155.2150.7-58.1-88.2000120.4L775L775-F777 HydrophobicContact CD2-CD2 4.19Å; L775-F777 HydrophobicContact CD2-CE2 3.72Å
778K38.9Very low33.1Very low196 Ų196139.8 Ų139.885%0.85275%0.753SS**  -174148.954.2-166.3171.8-178.7177.10116.4
779N32.2Very low33.3Very low142 Ų142138.8 Ų138.876%0.75975%0.748SS**  trans-22.1151.8165.8-71.211.5000119.3
780T36.8Very low33.3Very low132 Ų132141.3 Ų141.381%0.8176%0.755SS**  -170139.278.8-64.90000114.8
781Y36.6Very low33.5Very low222 Ų222141.4 Ų141.487%0.87176%0.756SS**  trans-89.3152.3168.7-86.4-92.7000111.9
782P36.7Very low33.3Very low119 Ų119143 Ų14377%0.77376%0.756SS**  -150.9-178.7100.838.5-21.7000114.6
783K31.1Very low33.3Very low166 Ų166142.8 Ų142.872%0.72276%0.758SS**  cis-176159-42.7-157.5-174169.6-77.70107.2
784D30.6Very low33Very low100 Ų100146 Ų14654%0.53576%0.758SS.*  trans74.1117.4156.4-63.4-29000123.8
785E28.6Very low32.6Very low171 Ų171143.3 Ų143.380%0.79975%0.75SS**  67.8112.4119.9-61-174.8169.400124
786A29.5Very low32.5Very low84 Ų84147.8 Ų147.869%0.69476%0.758SS**  81.2161.8120.100000122.3
787H33.1Very low32.2Very low174 Ų174147.1 Ų147.181%0.80675%0.754SS**  trans67.8122.3-175.2-64.9-90.6000115.5
788V30.8Very low32Very low124 Ų124143.8 Ų143.875%0.75275%0.753SS**  cis84.7134.140.8177.60000112.4
789S30.3Very low31.9Very low100 Ų100140.8 Ų140.870%0.69975%0.751SS**  trans72.5144.5-178-76.70000115.2
790D29.8Very low31.8Very low133 Ų133138.6 Ų138.671%0.71175%0.746SS**  cis-157178.5-9.4-130.7-54.7000113.4
791E34.8Very low32.1Very low155 Ų155142 Ų14272%0.72475%0.75SS**  trans62.9127.4149.9-80.9-164.390.400122.4
792F27.6Very low32.2Very low189 Ų189137.5 Ų137.583%0.82975%0.745SS**  32.6131.6115.6-81.8-106.2000118.1
793S36Very low32.2Very low112 Ų112136.6 Ų136.678%0.78374%0.739SS**  cis-171.6166.938.241.70000113.9
794K29.5Very low32.5Very low191 Ų191135.4 Ų135.483%0.8374%0.74SS**  trans-93.8153170.9-171.8-171.2179171.40110.2
795S27.9Very low32.9Very low90 Ų90138.4 Ų138.463%0.62976%0.756SS**  trans97.9136.3148.6-20.70000120.8
796R31.6Very low33.1Very low219 Ų219137.2 Ų137.283%0.82675%0.754SS**  89.479.1123.9-164.2172.1-75.7163.8-3.7120.8
797S29.2Very low33.5Very low92 Ų92139.4 Ų139.464%0.64376%0.761SS**  66143.211276.70000123.8
798S31.5Very low33.3Very low109 Ų109137.2 Ų137.276%0.76276%0.755SS**  trans73.3151.5151.1-48.70000115.4
799V35.1Very low33.6Very low133 Ų133137.8 Ų137.881%0.80676%0.759SS**  cis-155141.538.2164.40000111.8
800S31.7Very low33.7Very low96 Ų96137.6 Ų137.667%0.67176%0.758SS**  trans47.2121.1151-161.80000122.2
801K43Very low33.7Very low202 Ų202135.8 Ų135.888%0.87876%0.761SS**  -158146101.5-108.8169.3-176.5173.50114.9
802V37.2Very low33.3Very low128 Ų128135.4 Ų135.478%0.77676%0.763SS**  trans-136.9163.3-175.6161.80000105
803P36.7Very low33.4Very low100 Ų100134.1 Ų134.165%0.64976%0.76SS**  cis-124-172.6-0.823.21.1000114
804L37.8Very low33.2Very low141 Ų141133.8 Ų133.874%0.73876%0.757SS**  163.3123.7108.5-82.9172.1000115.3
805L38.4Very low33.4Very low164 Ų164133 Ų13386%0.85976%0.756SS**  trans69.1143.3141.7-61.7172.3000122.7
806L34.4Very low33.7Very low145 Ų145134.6 Ų134.676%0.75976%0.757SS**  trans-76.8167.2174.5-148.773.6000111N808L806-N808 HydrophobicContact CD2-CB 3.78Å
807P36.6Very low33.9Very low131 Ų131131.4 Ų131.485%0.85175%0.751SS**  -136.5137104.236.9-27.5000114.8
808N29.1Very low34.2Very low127 Ų127133.9 Ų133.968%0.67975%0.754SS**  trans-100.5134.3155.2168.61000105.9L806L806-N808 HydrophobicContact CD2-CB 3.78Å
809V37.7Very low34.6Very low136 Ų136131.7 Ų131.782%0.82475%0.749SS**  trans-166.3144.5144.71330000111.9
810S31.1Very low34.7Very low97 Ų97131.8 Ų131.868%0.67875%0.745SS**  trans-51.7145.2-178.6-41.90000118.9
811A30.2Very low34.8Very low95 Ų95133.9 Ų133.979%0.78575%0.748SS**  74.5150.912600000123.5
812L27Very low34.7Very low147 Ų147130.5 Ų130.577%0.7774%0.743SS**  trans107.5116.4135.4-152.868.1000119.8
813E29.4Very low34.6Very low161 Ų161133.6 Ų133.675%0.75275%0.747SS**  trans67.6155.1146.2-77.2179.2130.600125.8
814S31.6Very low34.8Very low105 Ų105134.6 Ų134.673%0.73475%0.753SS**  trans77.7115.1160.562.20000118
815Q33.7Very low34.5Very low174 Ų174136.8 Ų136.881%0.81376%0.757SS**  66.113479.8-85.7-168.997.600112.3
816I35.6Very low34.2Very low124 Ų124134.7 Ų134.764%0.63675%0.75SS**  cis-162.9138.441-123147.4000108.1
817E34.6Very low34.1Very low153 Ų153135.1 Ų135.172%0.71575%0.752SS**  64.7149.6111.2-111.5-178.9174.500117.3
818M36.3Very low34Very low143 Ų143134.1 Ų134.170%0.70474%0.744SS**  cis-161.2139.512.9-175.4-176.5-84.900113.7
819G39.3Very low34.4Very low64 Ų64135.2 Ų135.266%0.6674%0.743SS**  trans80161.6148.600000121.2
820N36.9Very low34.3Very low134 Ų134135.9 Ų135.972%0.71774%0.737SS**  cis-163.4122.9-8.7-103.3-15.9000115.9
821I34.4Very low34.4Very low141 Ų141135.5 Ų135.572%0.72374%0.74SS**  trans62.9149.6130.1-43.1167000122.5
822V41.6Very low34.7Very low130 Ų130138.8 Ų138.879%0.78874%0.739SS**  trans88128.1165.8-167.70000114.9
823K34.6Very low35.1Very low194 Ų194138.4 Ų138.484%0.84373%0.733SS**  cis137.8152.5-3.8-93.2-169.3173.7-179.90109
824P41.2Very low35.5Very low121 Ų121138.6 Ų138.679%0.78673%0.732SS**  trans-112.2-173.9-153.843.1-36.5000115.2
825K31.8Very low35.6Very low187 Ų187141.2 Ų141.281%0.81374%0.736SS**  trans157.2121134.6175.4165.4-177.4176.60117.9
826V30.7Very low35.9Very low120 Ų120137.8 Ų137.873%0.72773%0.729SS**  trans61.3137.9142.7170.20000119.2
827L33.4Very low35.8Very low153 Ų153136.6 Ų136.680%0.80173%0.732SS**  -168.7174.877.2-160.1123.5000114.8
828T33.6Very low35.9Very low111 Ų111136.2 Ų136.268%0.68174%0.735SS**  trans-107.9164.5-166.249.50000116.3
829K38.7Very low36.1Very low150 Ų150135.4 Ų135.465%0.65274%0.738SS**  trans154.5125131-88.7179164.6-77.30113.5
830E34.5Very low36.4Very low150 Ų150139.7 Ų139.770%0.70174%0.741SS**  79.5121.3107-71.8167-179.100114.7
831A34.3Very low36.7Very low89 Ų89142.1 Ų142.174%0.73675%0.745SS**  84.3150.67500000112.2
832E35.2Very low37.3Very low163 Ų163143.9 Ų143.976%0.76275%0.75SS**  cis-163.1168.722.9-146.2-178.281.600111.2
833E35.8Very low37.2Very low139 Ų139144.9 Ų144.965%0.6575%0.751SS**  trans61.4143.2152.6-78.1-155.7146.200122.6
834K36.7Very low37.7Very low166 Ų166146.4 Ų146.472%0.72275%0.752SS**  cis-143.7166.1-4.6-60.6-166.6-168.7-88.50112.9
835L35.3Very low38.3Very low159 Ų159144.4 Ų144.483%0.83274%0.741SS**  trans-68.8-178.4162-11768.2000113.4
836P40.2Very low39.2Very low103 Ų103141.9 Ų141.967%0.66974%0.735SS**  cis-138.1-173.7-15.738.1-18.8000116.2
837S32Very low40.2Very low98 Ų98140.4 Ų140.469%0.68573%0.726SS**  trans116.3123.7133.471.60000121.8
838D36.7Very low41.3Very low145 Ų145136.6 Ų136.678%0.77572%0.717SS**  trans91.2133.8140.1-61.3-4.8000125.5
839T42.2Very low42.2Very low126 Ų126136.2 Ų136.277%0.77372%0.715SS**  trans72.796.2156.346.10000122.3
840E45.4Very low42.8Very low154 Ų154133.6 Ų133.672%0.7271%0.707SS**  trans17132.7130.9-39.2174.5110.200121.7
841K42.8Very low43.6Very low186 Ų186129.4 Ų129.481%0.80969%0.694SS**  145.899.9121.5-81.4154.5-170.3161.30113.7
842E47.7Very low44.4Very low177 Ų177127.6 Ų127.683%0.82768%0.68SS**  trans-155.386.3144.7-158.3174.3169.800111.8
843D38.2Very low45.3Very low152 Ų152124.4 Ų124.481%0.81367%0.665SS**  trans-139.988.5173.9-171.59.2000110.2
844R46.3Very low46.2Very low226 Ų226122.5 Ų122.585%0.85366%0.658SS**SBendtrans-163.1-21.1175.3-153.5158.1177.5137.2-2.7115.8
845S53.5Low47.3Very low79 Ų79119.9 Ų119.955%0.55265%0.652SS**SBendtrans-90.8-30.4-163.3-51.50000115.6
846L49.4Very low48.8Very low134 Ų134118.6 Ų118.670%0.70264%0.64SS**Hα-helixtrans-82.3-30.3-171.8-64.3176.4000113.6A848 V849 L850L846-A848 VanDerWaalsContact C-N 3.31Å; L846-A848 PolarHBondContact O-N 3.3Å; L846-V849 PolarHBondContact O-N 3.34Å; L846-L850 HydrophobicContact CB-CD1 4.4Å; L846-L850 WeakPolarHBondContact O-CB 3.26Å; L846-L850 WeakPolarHBondContact O-CG 3.35Å; L846-L850 PolarHBondContact O-N 3.44Å; L846-L850 VanDerWaalsContact O-N 3.12Å
847T52.6Low50.3Low88 Ų88117 Ų11754%0.5463%0.629SS.*Hα-helixtrans-63.6-32.8-171.4-330000113.2S851T847-S851 WeakPolarHBondContact O-CB 3.15Å; T847-S851 PolarHBondContact O-N 2.97Å; T847-S851 PolarHBondContact O-OG 3.43Å
848A55.3Low52.3Low73 Ų73115.6 Ų115.660%0.60362%0.619SS**Hα-helixtrans-72.2-43.5-178.200000113L846 S851L846-A848 VanDerWaalsContact C-N 3.31Å; L846-A848 PolarHBondContact O-N 3.3Å; A848-S851 PolarHBondContact O-N 3.45Å
849V53.9Low54.1Low104 Ų104113.1 Ų113.163%0.6361%0.608SS**Hα-helixtrans-72.6-42.2178.9-177.90000110.4L846 S851 A852 E853L846-V849 PolarHBondContact O-N 3.34Å; V849-S851 VanDerWaalsContact C-N 3.27Å; V849-S851 PolarHBondContact O-N 2.85Å; V849-A852 PolarHBondContact O-N 2.79Å; V849-A852 VanDerWaalsContact O-N 3.12Å; V849-E853 PolarHBondContact O-N 2.76Å
850L50.4Low55.8Low95 Ų95110.7 Ų110.750%0.49759%0.593SS.*Hα-helixtrans-60.4-36.7174.2-69.8175.7000111.7L846 A852 E853 L854L846-L850 HydrophobicContact CB-CD1 4.4Å; L846-L850 WeakPolarHBondContact O-CB 3.26Å; L846-L850 WeakPolarHBondContact O-CG 3.35Å; L846-L850 PolarHBondContact O-N 3.44Å; L846-L850 VanDerWaalsContact O-N 3.12Å; L850-A852 VanDerWaalsContact C-N 3.28Å; L850-A852 PolarHBondContact O-N 3.22Å; L850-E853 PolarHBondContact O-N 3.34Å; L850-L854 HydrophobicContact CB-CD1 4.08Å; L850-L854 WeakPolarHBondContact O-CB 3.48Å; L850-L854 WeakPolarHBondContact O-CG 3.47Å; L850-L854 PolarHBondContact O-N 2.86Å
851S51.2Low57.4Low61 Ų61105.9 Ų105.943%0.42757%0.572SS.*Hα-helixtrans-59.2-36175.2-63.40000113.1T847 A848 V849 N855T847-S851 WeakPolarHBondContact O-CB 3.15Å; T847-S851 PolarHBondContact O-N 2.97Å; T847-S851 PolarHBondContact O-OG 3.43Å; A848-S851 PolarHBondContact O-N 3.45Å; V849-S851 VanDerWaalsContact C-N 3.27Å; V849-S851 PolarHBondContact O-N 2.85Å; S851-N855 VanDerWaalsContact O-CB 3.3Å; S851-N855 WeakPolarHBondContact O-CB 3.31Å; S851-N855 PolarHBondContact O-N 3.36Å; S851-N855 PolarHBondContact O-ND2 2.92Å; S851-N855 VanDerWaalsContact O-ND2 3.15Å; S851-N855 PolarHBondContact O-OD1 2.86Å
852A51.4Low59Low52 Ų5298.4 Ų98.443%0.4354%0.541SS..Hα-helixtrans-74.3-39.2179.800000113.2V849 L850V849-A852 PolarHBondContact O-N 2.79Å; V849-A852 VanDerWaalsContact O-N 3.12Å; L850-A852 VanDerWaalsContact C-N 3.28Å; L850-A852 PolarHBondContact O-N 3.22Å
853E54Low60.4Low96 Ų9691.5 Ų91.545%0.44951%0.51SS..Hα-helixtrans-81.1-38.3179.4-70.7-59.6107.400112.9V849 L850 N855 K856 T857V849-E853 PolarHBondContact O-N 2.76Å; L850-E853 PolarHBondContact O-N 3.34Å; E853-N855 VanDerWaalsContact C-N 3.28Å; E853-N855 PolarHBondContact O-N 2.85Å; E853-K856 PolarHBondContact O-N 3.33Å; E853-K856 WeakPolarHBondContact OE1-CE 3.47Å; E853-K856 IonicContact OE1-NZ 2.65Å; E853-K856 PolarHBondContact OE1-NZ 2.85Å; E853-T857 PolarHBondContact O-N 2.86Å; E853-T857 VanDerWaalsContact O-N 3.1Å; E853-T857 PolarHBondContact O-OG1 3.27Å
854L54.6Low62.1Low99 Ų9990 Ų9052%0.51849%0.493SS..Hα-helixtrans-65.6-31.5174.2-67.2174.5000111.5L850 T857 S858L850-L854 HydrophobicContact CB-CD1 4.08Å; L850-L854 WeakPolarHBondContact O-CB 3.48Å; L850-L854 WeakPolarHBondContact O-CG 3.47Å; L850-L854 PolarHBondContact O-N 2.86Å; L854-T857 WeakPolarHBondContact CA-OG1 3.29Å; L854-T857 PolarHBondContact O-OG1 2.95Å; L854-S858 WeakPolarHBondContact O-CA 3.11Å; L854-S858 WeakPolarHBondContact O-CB 3.08Å; L854-S858 PolarHBondContact O-N 2.68Å
855N60.2Low63.7Low111 Ų11182.7 Ų82.759%0.59447%0.466SS*.Hα-helixtrans-64.7-39.7173.5-78.7-11.4000112.5S851 E853 V859S851-N855 VanDerWaalsContact O-CB 3.3Å; S851-N855 WeakPolarHBondContact O-CB 3.31Å; S851-N855 PolarHBondContact O-N 3.36Å; S851-N855 PolarHBondContact O-ND2 2.92Å; S851-N855 VanDerWaalsContact O-ND2 3.15Å; S851-N855 PolarHBondContact O-OD1 2.86Å; E853-N855 VanDerWaalsContact C-N 3.28Å; E853-N855 PolarHBondContact O-N 2.85Å; N855-V859 VanDerWaalsContact O-CB 3.31Å; N855-V859 WeakPolarHBondContact O-CB 3.44Å; N855-V859 WeakPolarHBondContact O-CG2 3.43Å; N855-V859 PolarHBondContact O-N 3.46Å; N855-V859 VanDerWaalsContact O-N 3.12Å
856K67.1Low64.8Low132 Ų13287.9 Ų87.957%0.57447%0.474SS*.Hα-helixtrans-66.6-53177.1-62.2170.5-170.7169.90111E853 V859 V860E853-K856 PolarHBondContact O-N 3.33Å; E853-K856 WeakPolarHBondContact OE1-CE 3.47Å; E853-K856 IonicContact OE1-NZ 2.65Å; E853-K856 PolarHBondContact OE1-NZ 2.85Å; K856-V859 PolarHBondContact O-N 2.83Å; K856-V860 WeakPolarHBondContact O-CG2 3.33Å; K856-V860 PolarHBondContact O-N 2.8Å; K856-V860 VanDerWaalsContact O-N 3.1Å
857T72Confident66.3Low70 Ų7086.8 Ų86.843%0.42947%0.468SS..Hα-helixtrans-65.6-46.6-177.8460000111.4E853 L854 V859 V860 D861E853-T857 PolarHBondContact O-N 2.86Å; E853-T857 VanDerWaalsContact O-N 3.1Å; E853-T857 PolarHBondContact O-OG1 3.27Å; L854-T857 WeakPolarHBondContact CA-OG1 3.29Å; L854-T857 PolarHBondContact O-OG1 2.95Å; T857-V859 VanDerWaalsContact C-N 3.33Å; T857-V859 PolarHBondContact O-N 2.93Å; T857-V860 PolarHBondContact O-N 3.4Å; T857-V860 VanDerWaalsContact O-N 3.14Å; T857-D861 WeakPolarHBondContact O-CB 3.28Å; T857-D861 VanDerWaalsContact O-CG 3.27Å; T857-D861 PolarHBondContact O-N 2.81Å
858S73.1Confident67.5Low68 Ų6888 Ų8848%0.47647%0.47SS..Hα-helixtrans-63-34.3177-175.40000113.2L854 L862L854-S858 WeakPolarHBondContact O-CA 3.11Å; L854-S858 WeakPolarHBondContact O-CB 3.08Å; L854-S858 PolarHBondContact O-N 2.68Å; S858-L862 VanDerWaalsContact O-CB 3.24Å; S858-L862 WeakPolarHBondContact O-CB 3.29Å; S858-L862 PolarHBondContact O-N 2.81Å
859V74.6Confident68.8Low93 Ų9393.5 Ų93.556%0.56448%0.481SS*.Hα-helixtrans-70.6-37174.9167.60000111.2N855 K856 T857 L862 L863N855-V859 VanDerWaalsContact O-CB 3.31Å; N855-V859 WeakPolarHBondContact O-CB 3.44Å; N855-V859 WeakPolarHBondContact O-CG2 3.43Å; N855-V859 PolarHBondContact O-N 3.46Å; N855-V859 VanDerWaalsContact O-N 3.12Å; K856-V859 PolarHBondContact O-N 2.83Å; T857-V859 VanDerWaalsContact C-N 3.33Å; T857-V859 PolarHBondContact O-N 2.93Å; V859-L862 WeakPolarHBondContact O-CB 3.15Å; V859-L862 PolarHBondContact O-N 3.47Å; V859-L863 WeakPolarHBondContact O-CB 3.41Å; V859-L863 PolarHBondContact O-N 3.39Å
860V78Confident69.9Low75 Ų7595.5 Ų95.546%0.45548%0.481SS..Hα-helixtrans-66-45.7172.8172.10000110.9K856 T857 L862 L863 Y864K856-V860 WeakPolarHBondContact O-CG2 3.33Å; K856-V860 PolarHBondContact O-N 2.8Å; K856-V860 VanDerWaalsContact O-N 3.1Å; T857-V860 PolarHBondContact O-N 3.4Å; T857-V860 VanDerWaalsContact O-N 3.14Å; V860-L862 VanDerWaalsContact C-N 3.25Å; V860-L862 PolarHBondContact O-N 3.44Å; V860-L863 WeakPolarHBondContact O-CA 3.42Å; V860-L863 WeakPolarHBondContact O-CB 3.28Å; V860-L863 PolarHBondContact O-N 3.49Å; V860-Y864 HydrophobicContact CG1-CD2 3.74Å; V860-Y864 HydrophobicContact CG1-CE2 3.93Å; V860-Y864 WeakPolarHBondContact O-CD2 3.5Å; V860-Y864 PolarHBondContact O-N 3.45Å
861D79.3Confident71.4Confident52 Ų5291.1 Ų91.128%0.27846%0.458SS..Hα-helixtrans-63.2-32.7176.4-67.3-26000112.2T857 L863 W865 R866T857-D861 WeakPolarHBondContact O-CB 3.28Å; T857-D861 VanDerWaalsContact O-CG 3.27Å; T857-D861 PolarHBondContact O-N 2.81Å; D861-L863 VanDerWaalsContact C-N 3.33Å; D861-W865 PolarHBondContact O-N 3.08Å; D861-R866 PolarHBondContact O-N 3.03Å; D861-R866 WeakPolarHBondContact OD1-CD 3.26Å; D861-R866 IonicContact OD1-CZ 3.76Å; D861-R866 IonicContact OD1-NE 2.68Å; D861-R866 IonicContact OD1-NH1 3.46Å; D861-R866 PolarHBondContact OD1-NH1 3.35Å
862L76.7Confident72.8Confident29 Ų2989.4 Ų89.415%0.15245%0.45CS..Hα-helixtrans-64-38.4170.9-156.784.8000111.8S858 V859 V860 T871 V874 F1003S858-L862 VanDerWaalsContact O-CB 3.24Å; S858-L862 WeakPolarHBondContact O-CB 3.29Å; S858-L862 PolarHBondContact O-N 2.81Å; V859-L862 WeakPolarHBondContact O-CB 3.15Å; V859-L862 PolarHBondContact O-N 3.47Å; V860-L862 VanDerWaalsContact C-N 3.25Å; V860-L862 PolarHBondContact O-N 3.44Å; L862-T871 HydrophobicContact CD1-CG2 4.12Å; L862-T871 HydrophobicContact CG-CG2 4.33Å; L862-T871 WeakPolarHBondContact O-CB 3.1Å; L862-T871 WeakPolarHBondContact O-CG2 3.48Å; L862-V874 HydrophobicContact CD1-CB 4.01Å; L862-V874 HydrophobicContact CD1-CG2 4.02Å; L862-V874 HydrophobicContact CD2-CB 3.98Å; L862-V874 HydrophobicContact CD2-CG1 3.69Å; L862-V874 HydrophobicContact CG-CB 4.47Å; L862-F1003 HydrophobicContact CD2-CE1 3.77Å; L862-F1003 HydrophobicContact CD2-CZ 3.79Å; L862-F1003 HydrophobicContact CG-CE1 3.99Å
863L76.4Confident74.2Confident33 Ų3391.6 Ų91.617%0.17346%0.458CS..Hα-helixtrans-79.4-32.8-176.5-147.276.2000113.5V859 V860 D861 W865 L1002 F1003 P1006V859-L863 WeakPolarHBondContact O-CB 3.41Å; V859-L863 PolarHBondContact O-N 3.39Å; V860-L863 WeakPolarHBondContact O-CA 3.42Å; V860-L863 WeakPolarHBondContact O-CB 3.28Å; V860-L863 PolarHBondContact O-N 3.49Å; D861-L863 VanDerWaalsContact C-N 3.33Å; L863-W865 VanDerWaalsContact C-N 3.28Å; L863-L1002 HydrophobicContact CD1-CD1 4.42Å; L863-L1002 HydrophobicContact CD1-CG 3.87Å; L863-L1002 WeakPolarHBondContact CD1-O 3.15Å; L863-L1002 HydrophobicContact CD2-CD1 4.04Å; L863-L1002 HydrophobicContact CD2-CG 4.4Å; L863-L1002 WeakPolarHBondContact CD2-O 3.43Å; L863-L1002 WeakPolarHBondContact CG-O 3.19Å; L863-F1003 HydrophobicContact CD1-CB 4.49Å; L863-F1003 HydrophobicContact CD1-CD1 3.83Å; L863-F1003 HydrophobicContact CD1-CD2 3.87Å; L863-F1003 HydrophobicContact CD1-CE1 3.95Å; L863-F1003 HydrophobicContact CD1-CE2 4Å; L863-F1003 HydrophobicContact CD1-CG 3.8Å; L863-F1003 HydrophobicContact CD1-CZ 4.04Å; L863-P1006 HydrophobicContact CD2-CG 3.87Å; L863-P1006 HydrophobicContact CG-CG 4.05Å
864Y74.3Confident75.3Confident119 Ų11990.4 Ų90.447%0.46746%0.457SS..THydrogen-bonded Turntrans-85.77.1172.9-79.9-87.3000113.4V860 R866 P1006V860-Y864 HydrophobicContact CG1-CD2 3.74Å; V860-Y864 HydrophobicContact CG1-CE2 3.93Å; V860-Y864 WeakPolarHBondContact O-CD2 3.5Å; V860-Y864 PolarHBondContact O-N 3.45Å; Y864-R866 PolarHBondContact O-N 3.05Å; Y864-R866 VanDerWaalsContact O-N 3.12Å; Y864-P1006 HydrophobicContact CD1-CB 4.01Å; Y864-P1006 HydrophobicContact CE1-CB 3.89Å; Y864-P1006 HydrophobicContact CE2-CB 4.46Å; Y864-P1006 HydrophobicContact CG-CB 4.36Å
865W78.6Confident76.5Confident74 Ų7487.1 Ų87.128%0.2844%0.438SS..THydrogen-bonded Turntrans56.826.6175.6-74.666.9000115.6D861 L863 D867 I868 T871 F875 F1003 V1007D861-W865 PolarHBondContact O-N 3.08Å; L863-W865 VanDerWaalsContact C-N 3.28Å; W865-D867 VanDerWaalsContact C-N 3.33Å; W865-D867 PolarHBondContact O-N 2.88Å; W865-I868 HydrophobicContact CE3-CG2 4.17Å; W865-I868 HydrophobicContact CZ3-CG2 4.29Å; W865-I868 WeakPolarHBondContact O-CG1 3.34Å; W865-I868 PolarHBondContact O-N 3.44Å; W865-T871 VanDerWaalsContact CE3-OG1 3.3Å; W865-F875 HydrophobicContact CH2-CD1 4.1Å; W865-F875 HydrophobicContact CZ2-CB 4.49Å; W865-F875 AromaticContact CZ2-CD1 3.7Å; W865-F875 HydrophobicContact CZ2-CD1 3.7Å; W865-F875 HydrophobicContact CZ2-CE1 4.19Å; W865-F875 HydrophobicContact CZ2-CG 4.22Å; W865-F1003 PolarHBondContact NE1-O 2.88Å; W865-V1007 HydrophobicContact CB-CG2 4.05Å; W865-V1007 HydrophobicContact CG-CG2 3.76Å
866R78.3Confident77.4Confident188 Ų18883.4 Ų83.471%0.70943%0.426SS*.THydrogen-bonded Turntrans-55.7-46.2-177.8-78178168.6-179.6-8.5112.3D861 Y864D861-R866 PolarHBondContact O-N 3.03Å; D861-R866 WeakPolarHBondContact OD1-CD 3.26Å; D861-R866 IonicContact OD1-CZ 3.76Å; D861-R866 IonicContact OD1-NE 2.68Å; D861-R866 IonicContact OD1-NH1 3.46Å; D861-R866 PolarHBondContact OD1-NH1 3.35Å; Y864-R866 PolarHBondContact O-N 3.05Å; Y864-R866 VanDerWaalsContact O-N 3.12Å
867D79.5Confident77.8Confident111 Ų11179.8 Ų79.859%0.59442%0.421SS*.THydrogen-bonded Turntrans-102.576.6171.9-90.1-46.3000111.1W865 K869 K870 T871W865-D867 VanDerWaalsContact C-N 3.33Å; W865-D867 PolarHBondContact O-N 2.88Å; D867-K869 PolarHBondContact O-N 2.69Å; D867-K870 HydrophobicContact CB-CB 3.9Å; D867-K870 HydrophobicContact CB-CG 3.97Å; D867-K870 CarbonylContact O-C 3.6Å; D867-K870 WeakPolarHBondContact O-CA 3.29Å; D867-K870 PolarHBondContact O-N 3.35Å; D867-T871 VanDerWaalsContact O-CG2 3.26Å; D867-T871 WeakPolarHBondContact O-CG2 3.43Å; D867-T871 PolarHBondContact O-N 3.4Å; D867-T871 PolarHBondContact O-OG1 2.81Å
868I79.4Confident78.1Confident112 Ų11278.3 Ų78.357%0.57441%0.414SS*.Hα-helixtrans-44.3-36.4-178.4-58.5173.6000113.2W865 T871 G872W865-I868 HydrophobicContact CE3-CG2 4.17Å; W865-I868 HydrophobicContact CZ3-CG2 4.29Å; W865-I868 WeakPolarHBondContact O-CG1 3.34Å; W865-I868 PolarHBondContact O-N 3.44Å; I868-T871 WeakPolarHBondContact CA-OG1 3.32Å; I868-G872 WeakPolarHBondContact O-CA 3.23Å; I868-G872 PolarHBondContact O-N 2.78Å
869K80.9Confident78.4Confident190 Ų19077.1 Ų77.183%0.82640%0.402SS*.Hα-helixtrans-69-27.5177.9-64.7178.7-179.8175.40114.4D867 V873D867-K869 PolarHBondContact O-N 2.69Å; K869-V873 VanDerWaalsContact O-CG2 3.26Å; K869-V873 WeakPolarHBondContact O-CG2 3.3Å
870K77.8Confident78.5Confident146 Ų14679.2 Ų79.264%0.63540%0.403SS*.Hα-helixtrans-94.8-48.6176.7-62.5-75.5-171.2164.80110.3D867 G872 V873 V874D867-K870 HydrophobicContact CB-CB 3.9Å; D867-K870 HydrophobicContact CB-CG 3.97Å; D867-K870 CarbonylContact O-C 3.6Å; D867-K870 WeakPolarHBondContact O-CA 3.29Å; D867-K870 PolarHBondContact O-N 3.35Å; K870-G872 PolarHBondContact O-N 3.39Å; K870-V873 PolarHBondContact O-N 2.67Å; K870-V874 PolarHBondContact O-N 2.95Å
871T82.1Confident78.3Confident2 Ų281.4 Ų81.41%0.01241%0.412CS..Hα-helixtrans-61.9-46.5-178.7730000110.8L862 W865 D867 I868 V873 V874 F875L862-T871 HydrophobicContact CD1-CG2 4.12Å; L862-T871 HydrophobicContact CG-CG2 4.33Å; L862-T871 WeakPolarHBondContact O-CB 3.1Å; L862-T871 WeakPolarHBondContact O-CG2 3.48Å; W865-T871 VanDerWaalsContact CE3-OG1 3.3Å; D867-T871 VanDerWaalsContact O-CG2 3.26Å; D867-T871 WeakPolarHBondContact O-CG2 3.43Å; D867-T871 PolarHBondContact O-N 3.4Å; D867-T871 PolarHBondContact O-OG1 2.81Å; I868-T871 WeakPolarHBondContact CA-OG1 3.32Å; T871-V873 VanDerWaalsContact C-N 3.28Å; T871-V873 PolarHBondContact O-N 3.05Å; T871-V874 PolarHBondContact O-N 2.99Å; T871-F875 WeakPolarHBondContact O-CB 3.14Å; T871-F875 PolarHBondContact O-N 3.31Å
872G80.1Confident77.9Confident25 Ų2580.3 Ų80.326%0.25841%0.406SS..Hα-helixtrans-63.9-28.8176.900000113.8I868 K870 G876I868-G872 WeakPolarHBondContact O-CA 3.23Å; I868-G872 PolarHBondContact O-N 2.78Å; K870-G872 PolarHBondContact O-N 3.39Å; G872-G876 VanDerWaalsContact O-CA 3.27Å; G872-G876 WeakPolarHBondContact O-CA 3.26Å; G872-G876 PolarHBondContact O-N 3.31Å
873V80.6Confident77.4Confident98 Ų9882.7 Ų82.759%0.59442%0.419SS*.Hα-helixtrans-77.2-42.9174.9170.20000111.4K869 K870 T871 A877K869-V873 VanDerWaalsContact O-CG2 3.26Å; K869-V873 WeakPolarHBondContact O-CG2 3.3Å; K870-V873 PolarHBondContact O-N 2.67Å; T871-V873 VanDerWaalsContact C-N 3.28Å; T871-V873 PolarHBondContact O-N 3.05Å; V873-A877 WeakPolarHBondContact O-CB 3.47Å; V873-A877 PolarHBondContact O-N 3.39Å
874V78.5Confident76.9Confident71 Ų7183.1 Ų83.143%0.4342%0.424SS..Hα-helixtrans-73.5-43.1178.8-178.20000111.4L862 K870 T871 A877 S878L862-V874 HydrophobicContact CD1-CB 4.01Å; L862-V874 HydrophobicContact CD1-CG2 4.02Å; L862-V874 HydrophobicContact CD2-CB 3.98Å; L862-V874 HydrophobicContact CD2-CG1 3.69Å; L862-V874 HydrophobicContact CG-CB 4.47Å; K870-V874 PolarHBondContact O-N 2.95Å; T871-V874 PolarHBondContact O-N 2.99Å; V874-A877 PolarHBondContact O-N 3.21Å; V874-S878 WeakPolarHBondContact O-CB 3.25Å; V874-S878 PolarHBondContact O-N 3.06Å
875F79.5Confident76.4Confident30 Ų3082.1 Ų82.113%0.13243%0.427CS..Hα-helixtrans-61.3-46.7171.2176.8-112.1000110.5W865 T871 A877 S878 L879 L999 I1000 F1003W865-F875 HydrophobicContact CH2-CD1 4.1Å; W865-F875 HydrophobicContact CZ2-CB 4.49Å; W865-F875 AromaticContact CZ2-CD1 3.7Å; W865-F875 HydrophobicContact CZ2-CD1 3.7Å; W865-F875 HydrophobicContact CZ2-CE1 4.19Å; W865-F875 HydrophobicContact CZ2-CG 4.22Å; T871-F875 WeakPolarHBondContact O-CB 3.14Å; T871-F875 PolarHBondContact O-N 3.31Å; F875-A877 PolarHBondContact O-N 2.92Å; F875-S878 PolarHBondContact O-N 3.15Å; F875-L879 HydrophobicContact CE1-CD2 3.98Å; F875-L879 HydrophobicContact CZ-CD2 3.95Å; F875-L879 WeakPolarHBondContact O-CB 3.22Å; F875-L879 PolarHBondContact O-N 2.79Å; F875-L999 HydrophobicContact CE2-CG 4.41Å; F875-I1000 HydrophobicContact CZ-CG1 4.18Å; F875-F1003 HydrophobicContact CB-CD1 4.04Å; F875-F1003 HydrophobicContact CB-CE1 4.14Å; F875-F1003 HydrophobicContact CB-CG 4.45Å; F875-F1003 HydrophobicContact CD2-CB 3.58Å; F875-F1003 AromaticContact CD2-CD1 3.84Å; F875-F1003 HydrophobicContact CD2-CD1 3.84Å; F875-F1003 AromaticContact CD2-CD2 3.58Å; F875-F1003 HydrophobicContact CD2-CD2 3.58Å; F875-F1003 HydrophobicContact CD2-CE1 4.4Å; F875-F1003 HydrophobicContact CD2-CE2 4.18Å; F875-F1003 AromaticContact CD2-CG 3.38Å; F875-F1003 HydrophobicContact CD2-CG 3.38Å; F875-F1003 HydrophobicContact CE2-CB 3.59Å; F875-F1003 HydrophobicContact CE2-CD2 4.02Å; F875-F1003 AromaticContact CE2-CG 3.88Å; F875-F1003 HydrophobicContact CE2-CG 3.88Å; F875-F1003 HydrophobicContact CG-CB 4.34Å; F875-F1003 HydrophobicContact CG-CD1 4.19Å; F875-F1003 HydrophobicContact CG-CG 4.15Å; F875-F1003 HydrophobicContact CZ-CB 4.36Å
876G77.7Confident75.7Confident33 Ų3379.7 Ų79.734%0.3442%0.42SS..Hα-helixtrans-60.2-43.2176.800000113.2G872 F880G872-G876 VanDerWaalsContact O-CA 3.27Å; G872-G876 WeakPolarHBondContact O-CA 3.26Å; G872-G876 PolarHBondContact O-N 3.31Å; G876-F880 WeakPolarHBondContact O-CA 3.49Å; G876-F880 WeakPolarHBondContact O-CB 3.41Å; G876-F880 PolarHBondContact O-N 3.15Å
877A75.9Confident74.8Confident57 Ų5775.9 Ų75.947%0.47142%0.417SS..Hα-helixtrans-72-39.117800000112.8V873 V874 F875 F880 L881V873-A877 WeakPolarHBondContact O-CB 3.47Å; V873-A877 PolarHBondContact O-N 3.39Å; V874-A877 PolarHBondContact O-N 3.21Å; F875-A877 PolarHBondContact O-N 2.92Å; A877-F880 PolarHBondContact O-N 3.19Å; A877-L881 VanDerWaalsContact O-CB 3.3Å; A877-L881 WeakPolarHBondContact O-CB 3.41Å; A877-L881 PolarHBondContact O-N 2.94Å
878S79.5Confident73.6Confident39 Ų3977.4 Ų77.427%0.27342%0.419SS..Hα-helixtrans-67.4-46.1175.2-174.80000111.2V874 F875 F880 L881 L882 L999V874-S878 WeakPolarHBondContact O-CB 3.25Å; V874-S878 PolarHBondContact O-N 3.06Å; F875-S878 PolarHBondContact O-N 3.15Å; S878-F880 VanDerWaalsContact C-N 3.34Å; S878-F880 PolarHBondContact O-N 3.43Å; S878-L881 PolarHBondContact O-N 3.03Å; S878-L882 WeakPolarHBondContact O-CD1 3.44Å; S878-L882 PolarHBondContact O-N 3.09Å; S878-L999 WeakPolarHBondContact OG-CD2 3.41Å
879L78.7Confident72.8Confident42 Ų4272.9 Ų72.922%0.2240%0.397CS..Hα-helixtrans-63.3-39.4173.4-176.862.9000111.2F875 L883 I996 L999 I1000F875-L879 HydrophobicContact CE1-CD2 3.98Å; F875-L879 HydrophobicContact CZ-CD2 3.95Å; F875-L879 WeakPolarHBondContact O-CB 3.22Å; F875-L879 PolarHBondContact O-N 2.79Å; L879-L883 WeakPolarHBondContact O-CA 3.11Å; L879-L883 WeakPolarHBondContact O-CB 3.35Å; L879-L883 PolarHBondContact O-N 2.73Å; L879-I996 HydrophobicContact CD1-CG2 3.92Å; L879-L999 HydrophobicContact CB-CD2 4.41Å; L879-I1000 HydrophobicContact CD1-CD1 4.23Å; L879-I1000 HydrophobicContact CD1-CG1 4.08Å
880F77.1Confident71.7Confident137 Ų13767.6 Ų67.660%0.60138%0.377SS*.Hα-helixtrans-67.4-35174.4179.7-96000112.4G876 A877 S878 S884G876-F880 WeakPolarHBondContact O-CA 3.49Å; G876-F880 WeakPolarHBondContact O-CB 3.41Å; G876-F880 PolarHBondContact O-N 3.15Å; A877-F880 PolarHBondContact O-N 3.19Å; S878-F880 VanDerWaalsContact C-N 3.34Å; S878-F880 PolarHBondContact O-N 3.43Å; F880-S884 WeakPolarHBondContact O-CB 3.42Å; F880-S884 PolarHBondContact O-N 2.96Å; F880-S884 PolarHBondContact O-OG 2.79Å
881L73.7Confident70.9Confident121 Ų12163 Ų6363%0.63436%0.361SS*.Hα-helixtrans-68.1-45.9174.7-179.562.8000111.2A877 S878 S884 L885A877-L881 VanDerWaalsContact O-CB 3.3Å; A877-L881 WeakPolarHBondContact O-CB 3.41Å; A877-L881 PolarHBondContact O-N 2.94Å; S878-L881 PolarHBondContact O-N 3.03Å; L881-S884 PolarHBondContact O-N 3.43Å; L881-L885 PolarHBondContact O-N 3.44Å
882L70.7Confident70.1Confident29 Ų2963.7 Ų63.715%0.15237%0.366CS..Hα-helixtrans-64.6-45.3173.7-91.769.6000111.4S878 S884 L885 T886 L995 I996 L999S878-L882 WeakPolarHBondContact O-CD1 3.44Å; S878-L882 PolarHBondContact O-N 3.09Å; L882-S884 VanDerWaalsContact C-N 3.31Å; L882-S884 PolarHBondContact O-N 3.07Å; L882-L885 CarbonylContact O-C 3.45Å; L882-L885 WeakPolarHBondContact O-CA 3.42Å; L882-L885 WeakPolarHBondContact O-CB 3.44Å; L882-L885 PolarHBondContact O-N 3.36Å; L882-T886 WeakPolarHBondContact O-CG2 3.11Å; L882-T886 PolarHBondContact O-N 2.68Å; L882-L995 HydrophobicContact CD2-CD2 3.93Å; L882-L995 HydrophobicContact CD2-CG 3.81Å; L882-L995 HydrophobicContact CG-CD2 4.35Å; L882-I996 HydrophobicContact CB-CG1 4.48Å; L882-L999 HydrophobicContact CD1-CD2 4.47Å; L882-L999 HydrophobicContact CD2-CB 4.27Å; L882-L999 HydrophobicContact CD2-CD2 3.91Å
883L66.4Low69.3Low80 Ų8065.8 Ų65.842%0.41937%0.374SS..Hα-helixtrans-62.4-39.6177.2-174.869.1000110.6L879 L885 T886 V887L879-L883 WeakPolarHBondContact O-CA 3.11Å; L879-L883 WeakPolarHBondContact O-CB 3.35Å; L879-L883 PolarHBondContact O-N 2.73Å; L883-L885 VanDerWaalsContact C-N 3.34Å; L883-L885 PolarHBondContact O-N 2.84Å; L883-T886 WeakPolarHBondContact CA-OG1 3.42Å; L883-T886 CarbonylContact O-C 3.51Å; L883-T886 PolarHBondContact O-N 2.73Å; L883-T886 PolarHBondContact O-OG1 3.22Å; L883-V887 HydrophobicContact CD1-CG2 3.89Å; L883-V887 HydrophobicContact CG-CG2 4.05Å; L883-V887 WeakPolarHBondContact O-CB 3.42Å; L883-V887 WeakPolarHBondContact O-CG2 3.48Å; L883-V887 PolarHBondContact O-N 3.04Å
884S65.6Low68.6Low42 Ų4264.7 Ų64.729%0.29437%0.367SS..Hα-helixtrans-60.1-44170.6-64.30000110.8F880 L881 L882 T886 V887 F888F880-S884 WeakPolarHBondContact O-CB 3.42Å; F880-S884 PolarHBondContact O-N 2.96Å; F880-S884 PolarHBondContact O-OG 2.79Å; L881-S884 PolarHBondContact O-N 3.43Å; L882-S884 VanDerWaalsContact C-N 3.31Å; L882-S884 PolarHBondContact O-N 3.07Å; S884-T886 PolarHBondContact O-N 3.14Å; S884-V887 PolarHBondContact O-N 3.14Å; S884-F888 VanDerWaalsContact O-CA 3.26Å; S884-F888 WeakPolarHBondContact O-CA 3.43Å; S884-F888 WeakPolarHBondContact O-CB 3.49Å; S884-F888 PolarHBondContact O-N 2.8Å
885L63.2Low68.2Low98 Ų9861.3 Ų61.351%0.51335%0.347SS..Hα-helixtrans-65.9-16.6175.2-157.268.4000113.7L881 L882 L883 L992L881-L885 PolarHBondContact O-N 3.44Å; L882-L885 CarbonylContact O-C 3.45Å; L882-L885 WeakPolarHBondContact O-CA 3.42Å; L882-L885 WeakPolarHBondContact O-CB 3.44Å; L882-L885 PolarHBondContact O-N 3.36Å; L883-L885 VanDerWaalsContact C-N 3.34Å; L883-L885 PolarHBondContact O-N 2.84Å; L885-L992 HydrophobicContact CB-CD2 4.47Å; L885-L992 HydrophobicContact CG-CD2 4.36Å; L885-L992 WeakPolarHBondContact O-CD2 3.15Å
886T65.2Low67.6Low22 Ų2266.3 Ų66.314%0.13537%0.366CS..Hα-helixtrans-95.6-40.9176.473.40000113.3L882 L883 S884 F989 L992 I996L882-T886 WeakPolarHBondContact O-CG2 3.11Å; L882-T886 PolarHBondContact O-N 2.68Å; L883-T886 WeakPolarHBondContact CA-OG1 3.42Å; L883-T886 CarbonylContact O-C 3.51Å; L883-T886 PolarHBondContact O-N 2.73Å; L883-T886 PolarHBondContact O-OG1 3.22Å; S884-T886 PolarHBondContact O-N 3.14Å; T886-F989 WeakPolarHBondContact O-CE1 3.08Å; T886-L992 HydrophobicContact CG2-CB 4.2Å; T886-L992 HydrophobicContact CG2-CD2 3.46Å; T886-L992 VanDerWaalsContact CG2-CD2 3.46Å; T886-L992 HydrophobicContact CG2-CG 3.54Å; T886-I996 HydrophobicContact CG2-CD1 3.4Å; T886-I996 VanDerWaalsContact CG2-CD1 3.4Å; T886-I996 HydrophobicContact CG2-CG1 4.07Å
887V58.9Low67.5Low109 Ų10969.3 Ų69.366%0.66137%0.374SS*.Hα-helixtrans-86.4-44-176.2174.60000110.3L883 S884 S889L883-V887 HydrophobicContact CD1-CG2 3.89Å; L883-V887 HydrophobicContact CG-CG2 4.05Å; L883-V887 WeakPolarHBondContact O-CB 3.42Å; L883-V887 WeakPolarHBondContact O-CG2 3.48Å; L883-V887 PolarHBondContact O-N 3.04Å; S884-V887 PolarHBondContact O-N 3.14Å; V887-S889 PolarHBondContact O-N 2.78Å
888F54.7Low67.2Low142 Ų14267.2 Ų67.262%0.62336%0.356SS*.SBendtrans-76.879.8163.7-160.1-126.8000107.5S884 I890S884-F888 VanDerWaalsContact O-CA 3.26Å; S884-F888 WeakPolarHBondContact O-CA 3.43Å; S884-F888 WeakPolarHBondContact O-CB 3.49Å; S884-F888 PolarHBondContact O-N 2.8Å; F888-I890 HydrophobicContact CD1-CD1 3.61Å; F888-I890 HydrophobicContact CD1-CG1 3.38Å; F888-I890 HydrophobicContact CE1-CD1 3.75Å; F888-I890 HydrophobicContact CE1-CG1 3.55Å; F888-I890 HydrophobicContact CG-CG1 4.21Å; F888-I890 HydrophobicContact CZ-CG1 4.48Å; F888-I890 PolarHBondContact O-N 3.23Å
889S60.9Low66.9Low18 Ų1867.5 Ų67.513%0.12635%0.354CS..  trans-69.456-176.7-1660000111.6V887 V891 S892 V893 F989V887-S889 PolarHBondContact O-N 2.78Å; S889-V891 PolarHBondContact O-N 3.41Å; S889-V891 VanDerWaalsContact O-N 3.08Å; S889-S892 WeakPolarHBondContact CB-OG 3.19Å; S889-S892 PolarHBondContact O-N 3.45Å; S889-S892 PolarHBondContact O-OG 2.92Å; S889-S892 PolarHBondContact OG-OG 2.73Å; S889-V893 WeakPolarHBondContact O-CB 3.34Å; S889-V893 WeakPolarHBondContact O-CG2 3.37Å; S889-V893 PolarHBondContact O-N 3.26Å; S889-F989 WeakPolarHBondContact OG-CE2 3.26Å; S889-F989 WeakPolarHBondContact OG-CZ 3.15Å
890I59.5Low66.6Low78 Ų7868.1 Ų68.140%0.437%0.365SS..Hα-helixtrans-48.8-39.3177.2-64.5178000109.9F888 S892 T894F888-I890 HydrophobicContact CD1-CD1 3.61Å; F888-I890 HydrophobicContact CD1-CG1 3.38Å; F888-I890 HydrophobicContact CE1-CD1 3.75Å; F888-I890 HydrophobicContact CE1-CG1 3.55Å; F888-I890 HydrophobicContact CG-CG1 4.21Å; F888-I890 HydrophobicContact CZ-CG1 4.48Å; F888-I890 PolarHBondContact O-N 3.23Å; I890-S892 PolarHBondContact O-N 2.96Å; I890-T894 VanDerWaalsContact CG2-OG1 3.25Å; I890-T894 WeakPolarHBondContact CG2-OG1 3.45Å; I890-T894 WeakPolarHBondContact O-CA 3.34Å; I890-T894 WeakPolarHBondContact O-CB 3.16Å; I890-T894 PolarHBondContact O-N 3.13Å; I890-T894 PolarHBondContact O-OG1 3.36Å
891V60.9Low66.3Low50 Ų5066.2 Ų66.230%0.30336%0.361SS..Hα-helixtrans-51.7-53.2175.21730000112S889 A895 F982S889-V891 PolarHBondContact O-N 3.41Å; S889-V891 VanDerWaalsContact O-N 3.08Å; V891-A895 VanDerWaalsContact O-CB 3.32Å; V891-A895 WeakPolarHBondContact O-CB 3.49Å; V891-A895 PolarHBondContact O-N 2.9Å; V891-F982 HydrophobicContact CB-CE1 4.19Å; V891-F982 HydrophobicContact CG1-CD1 3.91Å; V891-F982 HydrophobicContact CG1-CE1 3.59Å; V891-F982 HydrophobicContact CG1-CZ 3.96Å; V891-F982 WeakPolarHBondContact O-CD1 3.32Å
892S65.3Low66.2Low17 Ų1760.6 Ų60.612%0.11933%0.332CS..Hα-helixtrans-81.1-42.5178.872.70000112.5S889 I890 T894 A895 Y896S889-S892 WeakPolarHBondContact CB-OG 3.19Å; S889-S892 PolarHBondContact O-N 3.45Å; S889-S892 PolarHBondContact O-OG 2.92Å; S889-S892 PolarHBondContact OG-OG 2.73Å; I890-S892 PolarHBondContact O-N 2.96Å; S892-T894 PolarHBondContact O-N 2.74Å; S892-A895 CarbonylContact O-C 3.4Å; S892-A895 WeakPolarHBondContact O-CA 3.37Å; S892-A895 WeakPolarHBondContact O-CB 3.46Å; S892-A895 PolarHBondContact O-N 3.47Å; S892-A895 VanDerWaalsContact O-N 3.13Å; S892-Y896 WeakPolarHBondContact O-CD2 3.39Å; S892-Y896 PolarHBondContact O-N 3.12Å
893V62.6Low66.3Low68 Ų6862.5 Ų62.541%0.41235%0.347SS..Hα-helixtrans-66-38.9-176.7174.60000111.3S889 Y896 I897S889-V893 WeakPolarHBondContact O-CB 3.34Å; S889-V893 WeakPolarHBondContact O-CG2 3.37Å; S889-V893 PolarHBondContact O-N 3.26Å; V893-Y896 PolarHBondContact O-N 2.75Å; V893-I897 HydrophobicContact CG1-CD1 3.88Å; V893-I897 WeakPolarHBondContact O-CB 3.41Å; V893-I897 WeakPolarHBondContact O-CG1 3.26Å; V893-I897 PolarHBondContact O-N 2.8Å
894T66.2Low66.6Low75 Ų7563.3 Ų63.346%0.4636%0.355SS..Hα-helixtrans-71.9-34.8173.4-49.40000110.8I890 S892 A898I890-T894 VanDerWaalsContact CG2-OG1 3.25Å; I890-T894 WeakPolarHBondContact CG2-OG1 3.45Å; I890-T894 WeakPolarHBondContact O-CA 3.34Å; I890-T894 WeakPolarHBondContact O-CB 3.16Å; I890-T894 PolarHBondContact O-N 3.13Å; I890-T894 PolarHBondContact O-OG1 3.36Å; S892-T894 PolarHBondContact O-N 2.74Å; T894-A898 WeakPolarHBondContact O-CB 3.38Å; T894-A898 PolarHBondContact O-N 3.46Å
895A70.2Confident66.8Low1 Ų162.5 Ų62.51%0.00835%0.348CS..Hα-helixtrans-65.3-37.2170.900000112.3V891 S892 L899 M979 F982V891-A895 VanDerWaalsContact O-CB 3.32Å; V891-A895 WeakPolarHBondContact O-CB 3.49Å; V891-A895 PolarHBondContact O-N 2.9Å; S892-A895 CarbonylContact O-C 3.4Å; S892-A895 WeakPolarHBondContact O-CA 3.37Å; S892-A895 WeakPolarHBondContact O-CB 3.46Å; S892-A895 PolarHBondContact O-N 3.47Å; S892-A895 VanDerWaalsContact O-N 3.13Å; A895-L899 VanDerWaalsContact O-CB 3.23Å; A895-L899 WeakPolarHBondContact O-CB 3Å; A895-L899 WeakPolarHBondContact O-CD1 3.4Å; A895-L899 WeakPolarHBondContact O-CG 3.4Å; A895-L899 PolarHBondContact O-N 3.2Å; A895-M979 HydrophobicContact CB-SD 3.98Å; A895-F982 HydrophobicContact CB-CD1 4.16Å
896Y67.6Low67.2Low135 Ų13559.4 Ų59.453%0.52933%0.332SS..Hα-helixtrans-72.1-39.7175.1-74.9-57.9000112.3S892 V893 L899 A900 T983S892-Y896 WeakPolarHBondContact O-CD2 3.39Å; S892-Y896 PolarHBondContact O-N 3.12Å; V893-Y896 PolarHBondContact O-N 2.75Å; Y896-L899 PolarHBondContact O-N 3.2Å; Y896-A900 VanDerWaalsContact O-CB 3.26Å; Y896-A900 WeakPolarHBondContact O-CB 3.4Å; Y896-A900 PolarHBondContact O-N 2.72Å; Y896-T983 HydrophobicContact CE1-CG2 3.89Å; Y896-T983 HydrophobicContact CE2-CG2 4.21Å; Y896-T983 VanDerWaalsContact OH-CG2 3.26Å; Y896-T983 WeakPolarHBondContact OH-CG2 3.4Å
897I75.2Confident67.7Low96 Ų9661.4 Ų61.449%0.49235%0.347SS..Hα-helixtrans-64.1-42.8171.8-69.5164.7000110V893 A900 L901V893-I897 HydrophobicContact CG1-CD1 3.88Å; V893-I897 WeakPolarHBondContact O-CB 3.41Å; V893-I897 WeakPolarHBondContact O-CG1 3.26Å; V893-I897 PolarHBondContact O-N 2.8Å; I897-A900 PolarHBondContact O-N 3.04Å; I897-L901 HydrophobicContact CG2-CD1 3.98Å; I897-L901 HydrophobicContact CG2-CG 4.47Å; I897-L901 WeakPolarHBondContact O-CB 3.27Å; I897-L901 VanDerWaalsContact O-CG 3.29Å; I897-L901 WeakPolarHBondContact O-CG 3.38Å; I897-L901 PolarHBondContact O-N 3.29Å
898A68.7Low68.3Low12 Ų1260.5 Ų60.510%0.09933%0.334CS..Hα-helixtrans-63-46.7173.700000111.4T894 A900 L901 L902 F964 M979T894-A898 WeakPolarHBondContact O-CB 3.38Å; T894-A898 PolarHBondContact O-N 3.46Å; A898-A900 VanDerWaalsContact C-N 3.3Å; A898-A900 PolarHBondContact O-N 2.98Å; A898-L901 PolarHBondContact O-N 2.84Å; A898-L902 WeakPolarHBondContact O-CB 3.07Å; A898-L902 PolarHBondContact O-N 2.79Å; A898-F964 HydrophobicContact CB-CZ 3.92Å; A898-F964 WeakPolarHBondContact O-CE1 3.25Å; A898-M979 HydrophobicContact CB-SD 4.16Å
899L73.1Confident69.1Low45 Ų4554.8 Ų54.824%0.23631%0.309CS..Hα-helixtrans-62.7-35.8175.8-77.3166.6000112A895 Y896 S903 M979A895-L899 VanDerWaalsContact O-CB 3.23Å; A895-L899 WeakPolarHBondContact O-CB 3Å; A895-L899 WeakPolarHBondContact O-CD1 3.4Å; A895-L899 WeakPolarHBondContact O-CG 3.4Å; A895-L899 PolarHBondContact O-N 3.2Å; Y896-L899 PolarHBondContact O-N 3.2Å; L899-S903 WeakPolarHBondContact O-CB 3.46Å; L899-S903 PolarHBondContact O-N 2.8Å; L899-M979 HydrophobicContact CD1-CB 4.17Å; L899-M979 HydrophobicContact CD2-CB 3.81Å; L899-M979 HydrophobicContact CG-CB 3.8Å
900A72.4Confident69.7Low55 Ų5558.3 Ų58.346%0.45533%0.325SS..Hα-helixtrans-68-48.6174.700000111.7Y896 I897 A898 L902 S903 V904Y896-A900 VanDerWaalsContact O-CB 3.26Å; Y896-A900 WeakPolarHBondContact O-CB 3.4Å; Y896-A900 PolarHBondContact O-N 2.72Å; I897-A900 PolarHBondContact O-N 3.04Å; A898-A900 VanDerWaalsContact C-N 3.3Å; A898-A900 PolarHBondContact O-N 2.98Å; A900-L902 VanDerWaalsContact C-N 3.32Å; A900-L902 PolarHBondContact O-N 3.4Å; A900-S903 PolarHBondContact O-N 3.3Å; A900-V904 WeakPolarHBondContact O-CB 3.11Å; A900-V904 VanDerWaalsContact O-CG2 3.31Å; A900-V904 WeakPolarHBondContact O-CG2 3.08Å; A900-V904 PolarHBondContact O-N 3.46Å
901L71Confident70.5Confident98 Ų9861.8 Ų61.851%0.51333%0.334SS..Hα-helixtrans-62.5-38.6175.5-70.4171.6000112I897 A898 T905 F964I897-L901 HydrophobicContact CG2-CD1 3.98Å; I897-L901 HydrophobicContact CG2-CG 4.47Å; I897-L901 WeakPolarHBondContact O-CB 3.27Å; I897-L901 VanDerWaalsContact O-CG 3.29Å; I897-L901 WeakPolarHBondContact O-CG 3.38Å; I897-L901 PolarHBondContact O-N 3.29Å; A898-L901 PolarHBondContact O-N 2.84Å; L901-T905 VanDerWaalsContact O-CB 3.32Å; L901-T905 WeakPolarHBondContact O-CB 3.48Å; L901-T905 PolarHBondContact O-N 2.97Å; L901-T905 PolarHBondContact O-OG1 3.32Å; L901-F964 HydrophobicContact CB-CD1 4.38Å; L901-F964 HydrophobicContact CB-CE1 3.8Å; L901-F964 HydrophobicContact CB-CZ 4.43Å
902L71.5Confident71Confident3 Ų363.7 Ų63.72%0.01634%0.339CS..Hα-helixtrans-67.1-45.6175.8-169.769000110.5A898 A900 T905 I906 F964 F975 A976A898-L902 WeakPolarHBondContact O-CB 3.07Å; A898-L902 PolarHBondContact O-N 2.79Å; A900-L902 VanDerWaalsContact C-N 3.32Å; A900-L902 PolarHBondContact O-N 3.4Å; L902-T905 PolarHBondContact O-N 3.24Å; L902-I906 HydrophobicContact CD1-CD1 4.15Å; L902-I906 HydrophobicContact CD2-CD1 4.45Å; L902-I906 HydrophobicContact CG-CD1 3.8Å; L902-I906 HydrophobicContact CG-CG1 4.47Å; L902-I906 VanDerWaalsContact O-CB 3.28Å; L902-I906 WeakPolarHBondContact O-CB 3.01Å; L902-I906 VanDerWaalsContact O-CG1 3.25Å; L902-I906 WeakPolarHBondContact O-CG1 3.29Å; L902-I906 PolarHBondContact O-N 3.24Å; L902-F964 HydrophobicContact CB-CD1 4.08Å; L902-F964 HydrophobicContact CB-CE1 3.86Å; L902-F964 HydrophobicContact CD1-CD1 3.86Å; L902-F964 HydrophobicContact CD1-CE1 4.3Å; L902-F975 HydrophobicContact CD1-CD1 4.28Å; L902-F975 HydrophobicContact CD2-CD1 3.95Å; L902-A976 HydrophobicContact CD2-CB 3.81Å
903S73.9Confident71.4Confident69 Ų6964.3 Ų64.348%0.48335%0.348SS..Hα-helixtrans-62.3-45176.6-178.90000111.9L899 A900 S907L899-S903 WeakPolarHBondContact O-CB 3.46Å; L899-S903 PolarHBondContact O-N 2.8Å; A900-S903 PolarHBondContact O-N 3.3Å; S903-S907 WeakPolarHBondContact O-CB 3.36Å; S903-S907 PolarHBondContact O-N 3.48Å; S903-S907 PolarHBondContact O-OG 2.87Å
904V72.2Confident72Confident97 Ų9764.6 Ų64.659%0.58835%0.349SS*.Hα-helixtrans-62.5-44.7174.9169.30000110.9A900 S907 F908A900-V904 WeakPolarHBondContact O-CB 3.11Å; A900-V904 VanDerWaalsContact O-CG2 3.31Å; A900-V904 WeakPolarHBondContact O-CG2 3.08Å; A900-V904 PolarHBondContact O-N 3.46Å; V904-S907 PolarHBondContact O-N 3.32Å; V904-F908 WeakPolarHBondContact O-CB 3.34Å; V904-F908 PolarHBondContact O-N 3.25Å
905T69.1Low72.4Confident24 Ų2463.7 Ų63.715%0.14734%0.341CS..Hα-helixtrans-68.6-44.2-179.1-51.10000111.6L901 L902 F908 R909 F927 F964L901-T905 VanDerWaalsContact O-CB 3.32Å; L901-T905 WeakPolarHBondContact O-CB 3.48Å; L901-T905 PolarHBondContact O-N 2.97Å; L901-T905 PolarHBondContact O-OG1 3.32Å; L902-T905 PolarHBondContact O-N 3.24Å; T905-F908 PolarHBondContact O-N 3Å; T905-R909 HydrophobicContact CG2-CG 4.49Å; T905-R909 VanDerWaalsContact O-CB 3.29Å; T905-R909 WeakPolarHBondContact O-CB 3.15Å; T905-R909 WeakPolarHBondContact O-CG 3.42Å; T905-R909 PolarHBondContact O-N 2.86Å; T905-F927 HydrophobicContact CG2-CE1 4.42Å; T905-F927 HydrophobicContact CG2-CE2 4.21Å; T905-F927 HydrophobicContact CG2-CZ 3.96Å; T905-F964 WeakPolarHBondContact CG2-O 3.26Å
906I71.9Confident72.2Confident33 Ų3366 Ų6617%0.16935%0.352CS..Hα-helixtrans-62.6-42.8173.8-70.5173.6000110.7L902 R909 I910 V966 L969L902-I906 HydrophobicContact CD1-CD1 4.15Å; L902-I906 HydrophobicContact CD2-CD1 4.45Å; L902-I906 HydrophobicContact CG-CD1 3.8Å; L902-I906 HydrophobicContact CG-CG1 4.47Å; L902-I906 VanDerWaalsContact O-CB 3.28Å; L902-I906 WeakPolarHBondContact O-CB 3.01Å; L902-I906 VanDerWaalsContact O-CG1 3.25Å; L902-I906 WeakPolarHBondContact O-CG1 3.29Å; L902-I906 PolarHBondContact O-N 3.24Å; I906-R909 WeakPolarHBondContact O-CB 3.36Å; I906-R909 PolarHBondContact O-N 3.41Å; I906-I910 HydrophobicContact CG2-CD1 3.63Å; I906-I910 HydrophobicContact CG2-CG1 4.29Å; I906-I910 WeakPolarHBondContact O-CB 3.39Å; I906-I910 VanDerWaalsContact O-CG1 3.29Å; I906-I910 WeakPolarHBondContact O-CG1 3.36Å; I906-I910 PolarHBondContact O-N 3.4Å; I906-V966 HydrophobicContact CG1-CG2 4.04Å; I906-L969 HydrophobicContact CG2-CD1 4.49Å
907S75.2Confident72.4Confident64 Ų6463.3 Ų63.345%0.44836%0.357SS..Hα-helixtrans-64.6-43.3179.2-61.20000111.8S903 V904 I910 Y911S903-S907 WeakPolarHBondContact O-CB 3.36Å; S903-S907 PolarHBondContact O-N 3.48Å; S903-S907 PolarHBondContact O-OG 2.87Å; V904-S907 PolarHBondContact O-N 3.32Å; S907-I910 PolarHBondContact O-N 3.38Å; S907-Y911 VanDerWaalsContact O-CB 3.26Å; S907-Y911 WeakPolarHBondContact O-CB 3.43Å; S907-Y911 PolarHBondContact O-N 2.83Å
908F72.1Confident72.2Confident91 Ų9164.6 Ų64.640%0.39936%0.364SS..Hα-helixtrans-67.3-37.8174.3-172.3-76.7000111.8V904 T905 Y911 K912 F927V904-F908 WeakPolarHBondContact O-CB 3.34Å; V904-F908 PolarHBondContact O-N 3.25Å; T905-F908 PolarHBondContact O-N 3Å; F908-Y911 PolarHBondContact O-N 3.41Å; F908-K912 HydrophobicContact CD1-CG 3.9Å; F908-K912 HydrophobicContact CE1-CD 4.44Å; F908-K912 HydrophobicContact CE1-CG 3.59Å; F908-K912 HydrophobicContact CZ-CG 4.25Å; F908-K912 WeakPolarHBondContact O-CB 3.48Å; F908-K912 PolarHBondContact O-N 2.74Å; F908-F927 HydrophobicContact CB-CE2 4.32Å; F908-F927 HydrophobicContact CB-CZ 3.94Å; F908-F927 HydrophobicContact CD1-CD2 4.24Å; F908-F927 HydrophobicContact CD1-CE1 4.25Å; F908-F927 AromaticContact CD1-CE2 3.27Å; F908-F927 HydrophobicContact CD1-CE2 3.27Å; F908-F927 AromaticContact CD1-CZ 3.27Å; F908-F927 HydrophobicContact CD1-CZ 3.27Å; F908-F927 HydrophobicContact CE1-CD2 4.41Å; F908-F927 HydrophobicContact CE1-CE1 4.42Å; F908-F927 AromaticContact CE1-CE2 3.81Å; F908-F927 HydrophobicContact CE1-CE2 3.81Å; F908-F927 AromaticContact CE1-CZ 3.81Å; F908-F927 HydrophobicContact CE1-CZ 3.81Å; F908-F927 HydrophobicContact CG-CE2 4.11Å; F908-F927 AromaticContact CG-CZ 3.75Å; F908-F927 HydrophobicContact CG-CZ 3.75Å
909R71.7Confident71.7Confident21 Ų2170.4 Ų70.48%0.07939%0.389CS..Hα-helixtrans-59.5-48.7173.1-78.1-80.3177.6-178.5-2.6111.7T905 I906 G913 H925 P926 F927 L965 V966T905-R909 HydrophobicContact CG2-CG 4.49Å; T905-R909 VanDerWaalsContact O-CB 3.29Å; T905-R909 WeakPolarHBondContact O-CB 3.15Å; T905-R909 WeakPolarHBondContact O-CG 3.42Å; T905-R909 PolarHBondContact O-N 2.86Å; I906-R909 WeakPolarHBondContact O-CB 3.36Å; I906-R909 PolarHBondContact O-N 3.41Å; R909-G913 PolarHBondContact O-N 2.88Å; R909-H925 VanDerWaalsContact CZ-CE1 3.41Å; R909-H925 PolarHBondContact NH1-CD2 3.1Å; R909-H925 PolarHBondContact NH1-CE1 2.79Å; R909-H925 PolarHBondContact NH1-ND1 3.42Å; R909-H925 PolarHBondContact NH1-NE2 2.66Å; R909-H925 VanDerWaalsContact NH1-NE2 3.15Å; R909-H925 PolarHBondContact NH2-CE1 3.43Å; R909-H925 PolarHBondContact NH2-ND1 3.03Å; R909-P926 VanDerWaalsContact NH1-CD 3.3Å; R909-F927 HydrophobicContact CG-CD2 4.33Å; R909-F927 HydrophobicContact CG-CE2 3.87Å; R909-F927 VanDerWaalsContact NE-CD2 3.31Å; R909-L965 PolarHBondContact NE-O 2.81Å; R909-L965 PolarHBondContact NH2-O 3.32Å; R909-V966 HydrophobicContact CG-CB 3.79Å; R909-V966 HydrophobicContact CG-CG1 4.17Å; R909-V966 HydrophobicContact CG-CG2 3.9Å
910I74.5Confident71Confident92 Ų9277.4 Ų77.447%0.47242%0.417SS..Hα-helixtrans-65-45.5177.3-67.7168.6000110I906 S907 G913 V914I906-I910 HydrophobicContact CG2-CD1 3.63Å; I906-I910 HydrophobicContact CG2-CG1 4.29Å; I906-I910 WeakPolarHBondContact O-CB 3.39Å; I906-I910 VanDerWaalsContact O-CG1 3.29Å; I906-I910 WeakPolarHBondContact O-CG1 3.36Å; I906-I910 PolarHBondContact O-N 3.4Å; S907-I910 PolarHBondContact O-N 3.38Å; I910-G913 PolarHBondContact O-N 3.28Å; I910-V914 HydrophobicContact CG2-CG2 4.17Å; I910-V914 WeakPolarHBondContact O-CB 3.3Å; I910-V914 VanDerWaalsContact O-CG2 3.3Å; I910-V914 WeakPolarHBondContact O-CG2 3.48Å; I910-V914 PolarHBondContact O-N 2.84Å
911Y76.2Confident70Confident152 Ų15277.1 Ų77.160%0.59641%0.412SS*.Hα-helixtrans-57.4-52.2177177.2-107.4000111.9S907 F908 G913 V914 I915S907-Y911 VanDerWaalsContact O-CB 3.26Å; S907-Y911 WeakPolarHBondContact O-CB 3.43Å; S907-Y911 PolarHBondContact O-N 2.83Å; F908-Y911 PolarHBondContact O-N 3.41Å; Y911-G913 VanDerWaalsContact C-N 3.35Å; Y911-G913 PolarHBondContact O-N 3.49Å; Y911-V914 PolarHBondContact O-N 2.79Å; Y911-I915 HydrophobicContact CD2-CG1 4.48Å; Y911-I915 HydrophobicContact CE1-CG1 4.44Å; Y911-I915 HydrophobicContact CE2-CD1 4.37Å; Y911-I915 HydrophobicContact CE2-CG1 4.16Å; Y911-I915 VanDerWaalsContact O-CG1 3.31Å; Y911-I915 WeakPolarHBondContact O-CG1 3.17Å; Y911-I915 PolarHBondContact O-N 2.89Å
912K69.8Low69.1Low90 Ų9080.7 Ų80.739%0.39143%0.432SS..Hα-helixtrans-59.5-43174.5-83.7-79.2-169.8171.30112.2F908 I915 Q916 P926F908-K912 HydrophobicContact CD1-CG 3.9Å; F908-K912 HydrophobicContact CE1-CD 4.44Å; F908-K912 HydrophobicContact CE1-CG 3.59Å; F908-K912 HydrophobicContact CZ-CG 4.25Å; F908-K912 WeakPolarHBondContact O-CB 3.48Å; F908-K912 PolarHBondContact O-N 2.74Å; K912-I915 PolarHBondContact O-N 2.71Å; K912-Q916 WeakPolarHBondContact O-CB 3.31Å; K912-Q916 VanDerWaalsContact O-CG 3.26Å; K912-Q916 WeakPolarHBondContact O-CG 3.24Å; K912-Q916 PolarHBondContact O-N 3.03Å; K912-Q916 PolarHBondContact O-OE1 3.38Å; K912-P926 HydrophobicContact CB-CB 3.77Å; K912-P926 HydrophobicContact CB-CG 3.69Å; K912-P926 HydrophobicContact CD-CB 4.04Å; K912-P926 HydrophobicContact CG-CB 3.76Å; K912-P926 HydrophobicContact CG-CG 4.23Å
913G73.5Confident68.2Low30 Ų3087.7 Ų87.731%0.30946%0.464SS..Hα-helixtrans-63.7-38.6178.200000113.7R909 I910 Y911 A917R909-G913 PolarHBondContact O-N 2.88Å; I910-G913 PolarHBondContact O-N 3.28Å; Y911-G913 VanDerWaalsContact C-N 3.35Å; Y911-G913 PolarHBondContact O-N 3.49Å; G913-A917 VanDerWaalsContact O-CB 3.31Å; G913-A917 WeakPolarHBondContact O-CB 3.23Å; G913-A917 PolarHBondContact O-N 2.85Å
914V75.9Confident67.4Low74 Ų7486.8 Ų86.845%0.44847%0.466SS..Hα-helixtrans-69-43.4174.7168.50000110.7I910 Y911 A917 I918I910-V914 HydrophobicContact CG2-CG2 4.17Å; I910-V914 WeakPolarHBondContact O-CB 3.3Å; I910-V914 VanDerWaalsContact O-CG2 3.3Å; I910-V914 WeakPolarHBondContact O-CG2 3.48Å; I910-V914 PolarHBondContact O-N 2.84Å; Y911-V914 PolarHBondContact O-N 2.79Å; V914-A917 PolarHBondContact O-N 2.96Å; V914-I918 HydrophobicContact CG1-CD1 3.73Å; V914-I918 HydrophobicContact CG1-CG1 4.49Å; V914-I918 WeakPolarHBondContact O-CB 3.5Å; V914-I918 VanDerWaalsContact O-CG1 3.25Å; V914-I918 WeakPolarHBondContact O-CG1 3.03Å; V914-I918 PolarHBondContact O-N 3.08Å
915I74.4Confident66.5Low55 Ų5585.2 Ų85.228%0.28245%0.452SS..Hα-helixtrans-63.5-42.9174.7-63.9-64.1000111Y911 K912 A917 I918 Q919Y911-I915 HydrophobicContact CD2-CG1 4.48Å; Y911-I915 HydrophobicContact CE1-CG1 4.44Å; Y911-I915 HydrophobicContact CE2-CD1 4.37Å; Y911-I915 HydrophobicContact CE2-CG1 4.16Å; Y911-I915 VanDerWaalsContact O-CG1 3.31Å; Y911-I915 WeakPolarHBondContact O-CG1 3.17Å; Y911-I915 PolarHBondContact O-N 2.89Å; K912-I915 PolarHBondContact O-N 2.71Å; I915-A917 PolarHBondContact O-N 3.47Å; I915-I918 PolarHBondContact O-N 3.26Å; I915-Q919 HydrophobicContact CG2-CG 4.37Å; I915-Q919 WeakPolarHBondContact O-CB 3.48Å; I915-Q919 WeakPolarHBondContact O-CG 3.46Å; I915-Q919 PolarHBondContact O-N 2.83Å
916Q67.2Low65.8Low50 Ų5085.8 Ų85.823%0.23446%0.456CS..Hα-helixtrans-58.3-45.8172.8-78163.5-34.200111.6K912 I918 Q919 K920 E923 G924K912-Q916 WeakPolarHBondContact O-CB 3.31Å; K912-Q916 VanDerWaalsContact O-CG 3.26Å; K912-Q916 WeakPolarHBondContact O-CG 3.24Å; K912-Q916 PolarHBondContact O-N 3.03Å; K912-Q916 PolarHBondContact O-OE1 3.38Å; Q916-I918 PolarHBondContact O-N 3.2Å; Q916-Q919 PolarHBondContact O-N 2.88Å; Q916-K920 PolarHBondContact O-N 3.35Å; Q916-E923 PolarHBondContact NE2-O 3.15Å; Q916-G924 PolarHBondContact NE2-O 3.32Å
917A70.4Confident64.9Low78 Ų7886.1 Ų86.165%0.64546%0.457SS*.Hα-helixtrans-64.9-37.1178.500000113.1G913 V914 I915G913-A917 VanDerWaalsContact O-CB 3.31Å; G913-A917 WeakPolarHBondContact O-CB 3.23Å; G913-A917 PolarHBondContact O-N 2.85Å; V914-A917 PolarHBondContact O-N 2.96Å; I915-A917 PolarHBondContact O-N 3.47Å
918I70.9Confident63.9Low124 Ų12490.5 Ų90.564%0.63646%0.464SS*.Hα-helixtrans-71.3-41.7176.4-69.5165.9000111.2V914 I915 Q916V914-I918 HydrophobicContact CG1-CD1 3.73Å; V914-I918 HydrophobicContact CG1-CG1 4.49Å; V914-I918 WeakPolarHBondContact O-CB 3.5Å; V914-I918 VanDerWaalsContact O-CG1 3.25Å; V914-I918 WeakPolarHBondContact O-CG1 3.03Å; V914-I918 PolarHBondContact O-N 3.08Å; I915-I918 PolarHBondContact O-N 3.26Å; Q916-I918 PolarHBondContact O-N 3.2Å
919Q59.4Low63.2Low133 Ų13389.8 Ų89.862%0.62148%0.475SS*.Hα-helixtrans-89.4-10.3-173-66.3-176.5-18.300114.3I915 Q916 S921I915-Q919 HydrophobicContact CG2-CG 4.37Å; I915-Q919 WeakPolarHBondContact O-CB 3.48Å; I915-Q919 WeakPolarHBondContact O-CG 3.46Å; I915-Q919 PolarHBondContact O-N 2.83Å; Q916-Q919 PolarHBondContact O-N 2.88Å; Q919-S921 PolarHBondContact O-N 3.45Å; Q919-S921 VanDerWaalsContact O-N 3.1Å
920K58.4Low62.2Low192 Ų19297.6 Ų97.684%0.83551%0.506SS*.THydrogen-bonded Turntrans53.523.4-175.6-63.2-172.1176.3-177.50114.3Q916 D922Q916-K920 PolarHBondContact O-N 3.35Å; K920-D922 PolarHBondContact O-N 2.82Å
921S51.6Low61Low50 Ų5094.7 Ų94.735%0.3549%0.491SS..  trans-83.2111.7-179.953.20000110.2Q919 E923Q919-S921 PolarHBondContact O-N 3.45Å; Q919-S921 VanDerWaalsContact O-N 3.1Å; S921-E923 PolarHBondContact O-N 2.91Å
922D50.6Low59.9Low172 Ų17293.1 Ų93.192%0.9249%0.489SS*.  trans-75.457.6180-16826.1000112K920K920-D922 PolarHBondContact O-N 2.82Å
923E53.3Low58.7Low150 Ų15092.6 Ų92.670%0.70150%0.496SS*.  trans-112.8128.9-178.9-16162.9-109.500109.3Q916 S921Q916-E923 PolarHBondContact NE2-O 3.15Å; S921-E923 PolarHBondContact O-N 2.91Å
924G57.7Low57.6Low51 Ų5197.6 Ų97.653%0.52651%0.512SS..  trans-70.5-176-152.600000118.6Q916 P926Q916-G924 PolarHBondContact NE2-O 3.32Å; G924-P926 WeakPolarHBondContact O-CD 3.47Å; G924-P926 VanDerWaalsContact O-N 3.11Å
925H53.7Low56.3Low63 Ų6399.9 Ų99.929%0.29253%0.525SS..  trans-40.2108.5-178.9-169.1-101000113.1R909 F927 R928 V966 D967R909-H925 VanDerWaalsContact CZ-CE1 3.41Å; R909-H925 PolarHBondContact NH1-CD2 3.1Å; R909-H925 PolarHBondContact NH1-CE1 2.79Å; R909-H925 PolarHBondContact NH1-ND1 3.42Å; R909-H925 PolarHBondContact NH1-NE2 2.66Å; R909-H925 VanDerWaalsContact NH1-NE2 3.15Å; R909-H925 PolarHBondContact NH2-CE1 3.43Å; R909-H925 PolarHBondContact NH2-ND1 3.03Å; H925-F927 PolarHBondContact O-N 2.69Å; H925-R928 HydrophobicContact CB-CB 4.4Å; H925-R928 WeakPolarHBondContact O-CB 3.08Å; H925-R928 PolarHBondContact O-N 2.76Å; H925-V966 PolarHBondContact NE2-O 3.09Å; H925-D967 IonicContact CE1-OD1 2.94Å; H925-D967 PolarHBondContact CE1-OD1 3.44Å; H925-D967 IonicContact ND1-OD1 3.95Å; H925-D967 IonicContact NE2-OD1 3.21Å; H925-D967 PolarHBondContact NE2-OD1 3.28Å
926P53.8Low55Low36 Ų36100.4 Ų100.423%0.23454%0.538CS..THydrogen-bonded Turntrans-69.87.5-155.422.4-36.2000118.6R909 K912 G924R909-P926 VanDerWaalsContact NH1-CD 3.3Å; K912-P926 HydrophobicContact CB-CB 3.77Å; K912-P926 HydrophobicContact CB-CG 3.69Å; K912-P926 HydrophobicContact CD-CB 4.04Å; K912-P926 HydrophobicContact CG-CB 3.76Å; K912-P926 HydrophobicContact CG-CG 4.23Å; G924-P926 WeakPolarHBondContact O-CD 3.47Å; G924-P926 VanDerWaalsContact O-N 3.11Å
927F53.8Low54.2Low40 Ų40101.4 Ų101.418%0.17554%0.544CS..THydrogen-bonded Turntrans-131.915.1167-61.8-112.9000113.2T905 F908 R909 H925 A929 Y930 L931 L965T905-F927 HydrophobicContact CG2-CE1 4.42Å; T905-F927 HydrophobicContact CG2-CE2 4.21Å; T905-F927 HydrophobicContact CG2-CZ 3.96Å; F908-F927 HydrophobicContact CB-CE2 4.32Å; F908-F927 HydrophobicContact CB-CZ 3.94Å; F908-F927 HydrophobicContact CD1-CD2 4.24Å; F908-F927 HydrophobicContact CD1-CE1 4.25Å; F908-F927 AromaticContact CD1-CE2 3.27Å; F908-F927 HydrophobicContact CD1-CE2 3.27Å; F908-F927 AromaticContact CD1-CZ 3.27Å; F908-F927 HydrophobicContact CD1-CZ 3.27Å; F908-F927 HydrophobicContact CE1-CD2 4.41Å; F908-F927 HydrophobicContact CE1-CE1 4.42Å; F908-F927 AromaticContact CE1-CE2 3.81Å; F908-F927 HydrophobicContact CE1-CE2 3.81Å; F908-F927 AromaticContact CE1-CZ 3.81Å; F908-F927 HydrophobicContact CE1-CZ 3.81Å; F908-F927 HydrophobicContact CG-CE2 4.11Å; F908-F927 AromaticContact CG-CZ 3.75Å; F908-F927 HydrophobicContact CG-CZ 3.75Å; R909-F927 HydrophobicContact CG-CD2 4.33Å; R909-F927 HydrophobicContact CG-CE2 3.87Å; R909-F927 VanDerWaalsContact NE-CD2 3.31Å; H925-F927 PolarHBondContact O-N 2.69Å; F927-A929 VanDerWaalsContact C-N 3.26Å; F927-A929 PolarHBondContact O-N 3.17Å; F927-A929 VanDerWaalsContact O-N 3.08Å; F927-Y930 CarbonylContact O-C 3.59Å; F927-Y930 WeakPolarHBondContact O-CA 3.38Å; F927-Y930 WeakPolarHBondContact O-CB 3.41Å; F927-Y930 PolarHBondContact O-N 3.23Å; F927-L931 PolarHBondContact O-N 3.26Å; F927-L965 HydrophobicContact CB-CD2 3.41Å; F927-L965 VanDerWaalsContact CB-CD2 3.41Å; F927-L965 HydrophobicContact CD1-CD2 3.95Å; F927-L965 HydrophobicContact CG-CD2 3.83Å
928R53.8Low53.4Low156 Ų156100.5 Ų100.559%0.58953%0.533SS*.Hα-helixtrans-51.7-41.1-171.2-167.4173.5-178.2161.38.6114H925 Y930 L931 E932H925-R928 HydrophobicContact CB-CB 4.4Å; H925-R928 WeakPolarHBondContact O-CB 3.08Å; H925-R928 PolarHBondContact O-N 2.76Å; R928-Y930 PolarHBondContact O-N 3.07Å; R928-L931 WeakPolarHBondContact O-CA 3.37Å; R928-L931 WeakPolarHBondContact O-CB 3.42Å; R928-L931 PolarHBondContact O-N 2.77Å; R928-E932 VanDerWaalsContact CG-OE1 3.28Å; R928-E932 WeakPolarHBondContact CG-OE1 3.49Å; R928-E932 IonicContact NE-OE1 3.05Å; R928-E932 PolarHBondContact NE-OE1 2.95Å; R928-E932 WeakPolarHBondContact O-CG 3.44Å; R928-E932 PolarHBondContact O-N 3.49Å; R928-E932 VanDerWaalsContact O-N 3.14Å
929A56.1Low52.7Low77 Ų77101.3 Ų101.364%0.63653%0.534SS*.Hα-helixtrans-63.3-37.4173.300000114.1F927 L931 E932 S933F927-A929 VanDerWaalsContact C-N 3.26Å; F927-A929 PolarHBondContact O-N 3.17Å; F927-A929 VanDerWaalsContact O-N 3.08Å; A929-L931 VanDerWaalsContact C-N 3.26Å; A929-L931 PolarHBondContact O-N 2.84Å; A929-E932 PolarHBondContact O-N 3.46Å; A929-S933 PolarHBondContact O-N 3.46Å
930Y50.5Low52.5Low185 Ų18598.6 Ų98.673%0.72552%0.521SS*.Hα-helixtrans-77.4-9.8172-90-87.7000113.2F927 R928 R961F927-Y930 CarbonylContact O-C 3.59Å; F927-Y930 WeakPolarHBondContact O-CA 3.38Å; F927-Y930 WeakPolarHBondContact O-CB 3.41Å; F927-Y930 PolarHBondContact O-N 3.23Å; R928-Y930 PolarHBondContact O-N 3.07Å; Y930-R961 PolarHBondContact O-NH2 2.84Å
931L50.2Low52.2Low30 Ų3094.5 Ų94.516%0.15751%0.508CS..Hα-helixtrans-85.1-26171.3-123.6170.9000112.4F927 R928 A929 R961 L965 D967F927-L931 PolarHBondContact O-N 3.26Å; R928-L931 WeakPolarHBondContact O-CA 3.37Å; R928-L931 WeakPolarHBondContact O-CB 3.42Å; R928-L931 PolarHBondContact O-N 2.77Å; A929-L931 VanDerWaalsContact C-N 3.26Å; A929-L931 PolarHBondContact O-N 2.84Å; L931-R961 VanDerWaalsContact C-CZ 3.47Å; L931-R961 VanDerWaalsContact C-NH2 3.3Å; L931-R961 PolarHBondContact O-NE 3.21Å; L931-R961 VanDerWaalsContact O-NE 3.14Å; L931-R961 PolarHBondContact O-NH1 3.12Å; L931-R961 PolarHBondContact O-NH2 3.27Å; L931-L965 HydrophobicContact CD1-CB 3.99Å; L931-L965 HydrophobicContact CD2-CB 4.04Å; L931-L965 HydrophobicContact CD2-CD1 4.09Å; L931-L965 HydrophobicContact CG-CB 3.66Å; L931-L965 HydrophobicContact CG-CD1 3.93Å; L931-L965 HydrophobicContact CG-CD2 4.17Å; L931-L965 HydrophobicContact CG-CG 4.11Å; L931-D967 WeakPolarHBondContact CD1-OD2 3.13Å
932E53.7Low52.2Low120 Ų12092.9 Ų92.956%0.56150%0.496SS*.Hα-helixtrans-98.6-20.4-172.4-70.3165.4-178.800112.7R928 A929 E934R928-E932 VanDerWaalsContact CG-OE1 3.28Å; R928-E932 WeakPolarHBondContact CG-OE1 3.49Å; R928-E932 IonicContact NE-OE1 3.05Å; R928-E932 PolarHBondContact NE-OE1 2.95Å; R928-E932 WeakPolarHBondContact O-CG 3.44Å; R928-E932 PolarHBondContact O-N 3.49Å; R928-E932 VanDerWaalsContact O-N 3.14Å; A929-E932 PolarHBondContact O-N 3.46Å; E932-E934 PolarHBondContact O-N 3.04Å
933S44.9Very low52.5Low78 Ų7891.5 Ų91.555%0.54548%0.484SS..SBendtrans-70.693.8176.2177.90000113A929 V935 R961A929-S933 PolarHBondContact O-N 3.46Å; S933-V935 PolarHBondContact O-N 2.94Å; S933-R961 VanDerWaalsContact O-CZ 3.25Å; S933-R961 PolarHBondContact O-NH1 3.2Å; S933-R961 PolarHBondContact O-NH2 3.39Å
934E49.1Very low52.8Low136 Ų13690.6 Ų90.664%0.63648%0.478SS*.  trans-63.3128.8-178.4-69.2-169127.700113.8E932 K958E932-E934 PolarHBondContact O-N 3.04Å; E934-K958 IonicContact OE1-NZ 3.62Å
935V48.8Very low52.8Low121 Ų12196.3 Ų96.373%0.73349%0.485SS*.  trans-103.963156.8-171.70000107.2S933 I937S933-V935 PolarHBondContact O-N 2.94Å; V935-I937 PolarHBondContact O-N 3.49Å
936A47.9Very low53.1Low66 Ų6696.7 Ų96.755%0.54550%0.495SS..PPolyproline II helixtrans-70.4120.6167.400000107.7S938A936-S938 PolarHBondContact O-N 3.44Å
937I50.4Low53.4Low71 Ų7199.7 Ų99.736%0.36451%0.509SS..PPolyproline II helixtrans-66.7123.6176.5-63.5175.4000107.7V935 V942 L950 I957V935-I937 PolarHBondContact O-N 3.49Å; I937-V942 WeakPolarHBondContact O-CG2 3.46Å; I937-L950 HydrophobicContact CG2-CD2 4.28Å; I937-I957 HydrophobicContact CD1-CD1 4.27Å
938S52Low53.6Low59 Ų59101.6 Ų101.641%0.41353%0.527SS..PPolyproline II helixtrans-49.5138.8-168.51800000113.5A936 E940 L941 V942A936-S938 PolarHBondContact O-N 3.44Å; S938-E940 PolarHBondContact O-N 2.79Å; S938-E940 VanDerWaalsContact O-N 3.09Å; S938-L941 PolarHBondContact O-N 2.79Å; S938-V942 PolarHBondContact O-N 2.7Å
939E56.2Low53.9Low141 Ų14196.5 Ų96.566%0.65952%0.518SS*.Hα-helixtrans-57.6-26.7-178.6-162.6166.4-17000112.5L941 V942 Q943E939-L941 PolarHBondContact O-N 2.96Å; E939-V942 WeakPolarHBondContact O-CB 3.48Å; E939-V942 PolarHBondContact O-N 3.3Å; E939-V942 VanDerWaalsContact O-N 3.13Å; E939-Q943 WeakPolarHBondContact O-CB 3.47Å; E939-Q943 PolarHBondContact O-N 3.42Å
940E55.3Low54.2Low76 Ų7694.1 Ų94.136%0.35550%0.495SS..Hα-helixtrans-60.6-26.9175.4-60.6178.5143.100113.8N696 S938N696-E940 WeakPolarHBondContact CA-OE1 3.44Å; N696-E940 PolarHBondContact N-OE1 3.06Å; S938-E940 PolarHBondContact O-N 2.79Å; S938-E940 VanDerWaalsContact O-N 3.09Å
941L53.1Low55.1Low106 Ų10687.1 Ų87.156%0.55548%0.479SS*.Hα-helixtrans-93.8-33.5171.9-78161.6000112.1S938 E939 Y945S938-L941 PolarHBondContact O-N 2.79Å; E939-L941 PolarHBondContact O-N 2.96Å; L941-Y945 PolarHBondContact O-N 2.69Å
942V51.9Low55.7Low16 Ų1692 Ų9210%0.09750%0.501CS..Hα-helixtrans-56.9-49176174.40000111.2I937 S938 E939 K944 Y945 L950I937-V942 WeakPolarHBondContact O-CG2 3.46Å; S938-V942 PolarHBondContact O-N 2.7Å; E939-V942 WeakPolarHBondContact O-CB 3.48Å; E939-V942 PolarHBondContact O-N 3.3Å; E939-V942 VanDerWaalsContact O-N 3.13Å; V942-K944 VanDerWaalsContact C-N 3.28Å; V942-K944 PolarHBondContact O-N 3.35Å; V942-Y945 CarbonylContact O-C 3.57Å; V942-Y945 PolarHBondContact O-N 3.01Å; V942-Y945 VanDerWaalsContact O-N 3.09Å; V942-L950 HydrophobicContact CB-CB 4.25Å; V942-L950 HydrophobicContact CB-CD2 4.31Å; V942-L950 HydrophobicContact CG1-CB 3.87Å; V942-L950 HydrophobicContact CG2-CB 4.05Å; V942-L950 HydrophobicContact CG2-CD2 3.66Å; V942-L950 HydrophobicContact CG2-CG 4.44Å
943Q56.2Low56Low143 Ų14389.7 Ų89.767%0.66849%0.494SS*.THydrogen-bonded Turntrans-70-23.9-169-155.2172.321.900113.2E939E939-Q943 WeakPolarHBondContact O-CB 3.47Å; E939-Q943 PolarHBondContact O-N 3.42Å
944K60.7Low57.2Low132 Ų13288.2 Ų88.257%0.57448%0.48SS*.THydrogen-bonded Turntrans-77-35.1170.7-95.1-176.1172.5173.30113.4I699 V942I699-K944 HydrophobicContact CD1-CD 4.01Å; V942-K944 VanDerWaalsContact C-N 3.28Å; V942-K944 PolarHBondContact O-N 3.35Å
945Y57.4Low57.9Low171 Ų17184.4 Ų84.467%0.67147%0.469SS*.SBendtrans-106.746.8-173.4-81.1-81.4000113L941 V942 L950L941-Y945 PolarHBondContact O-N 2.69Å; V942-Y945 CarbonylContact O-C 3.57Å; V942-Y945 PolarHBondContact O-N 3.01Å; V942-Y945 VanDerWaalsContact O-N 3.09Å; Y945-L950 WeakPolarHBondContact O-CD1 3.27Å
946S58.7Low58.4Low71 Ų7182 Ų8250%0.49746%0.455SS..  trans58111.7173.5-173.20000115S948 A949 L950S946-S948 PolarHBondContact O-N 2.88Å; S946-A949 PolarHBondContact O-N 3Å; S946-L950 PolarHBondContact O-N 2.83Å
947N60.6Low59.3Low99 Ų9982.4 Ų82.453%0.52945%0.447SS..Hα-helixtrans-52-29.6-178.6-66-20.4000114.3G951N947-G951 WeakPolarHBondContact O-CA 3.46Å; N947-G951 PolarHBondContact O-N 3.09Å
948S59Low60.2Low80 Ų8085.6 Ų85.656%0.55946%0.458SS*.Hα-helixtrans-68.4-45.7172.6-58.60000112.4S946 G951 H952S946-S948 PolarHBondContact O-N 2.88Å; S948-G951 PolarHBondContact O-N 3.23Å; S948-H952 PolarHBondContact O-CD2 3.13Å; S948-H952 PolarHBondContact O-N 2.99Å
949A58.5Low60.8Low48 Ų4887.3 Ų87.340%0.39746%0.459SS..Hα-helixtrans-65.4-50.1-176.400000111.6S946 H952 V953S946-A949 PolarHBondContact O-N 3Å; A949-H952 PolarHBondContact O-N 3.31Å; A949-V953 WeakPolarHBondContact O-CG2 3.3Å; A949-V953 PolarHBondContact O-N 3.46Å
950L64.3Low61.3Low28 Ų2883.7 Ų83.715%0.14744%0.444CS..Hα-helixtrans-75.7-21.4175.2-89.195.9000113.9I937 V942 Y945 S946 V953 N954I937-L950 HydrophobicContact CG2-CD2 4.28Å; V942-L950 HydrophobicContact CB-CB 4.25Å; V942-L950 HydrophobicContact CB-CD2 4.31Å; V942-L950 HydrophobicContact CG1-CB 3.87Å; V942-L950 HydrophobicContact CG2-CB 4.05Å; V942-L950 HydrophobicContact CG2-CD2 3.66Å; V942-L950 HydrophobicContact CG2-CG 4.44Å; Y945-L950 WeakPolarHBondContact O-CD1 3.27Å; S946-L950 PolarHBondContact O-N 2.83Å; L950-V953 PolarHBondContact O-N 3.45Å; L950-N954 VanDerWaalsContact O-CB 3.23Å; L950-N954 WeakPolarHBondContact O-CB 3.49Å; L950-N954 PolarHBondContact O-N 2.79Å; L950-N954 PolarHBondContact O-ND2 3.32Å
951G68.9Low61.9Low38 Ų3882.9 Ų82.939%0.39244%0.438SS..Hα-helixtrans-59.5-46.4165.300000111.9N947 S948 S955N947-G951 WeakPolarHBondContact O-CA 3.46Å; N947-G951 PolarHBondContact O-N 3.09Å; S948-G951 PolarHBondContact O-N 3.23Å; G951-S955 WeakPolarHBondContact O-CB 3.05Å; G951-S955 PolarHBondContact O-N 3.47Å
952H63.1Low62.7Low133 Ų13383 Ų8362%0.61643%0.431SS*.Hα-helixtrans-66-47.3173.9-64.6-49.5000112.3S948 A949 N954 S955 T956S948-H952 PolarHBondContact O-CD2 3.13Å; S948-H952 PolarHBondContact O-N 2.99Å; A949-H952 PolarHBondContact O-N 3.31Å; H952-N954 PolarHBondContact O-N 2.96Å; H952-S955 PolarHBondContact O-N 2.85Å; H952-T956 PolarHBondContact O-N 2.92Å; H952-T956 PolarHBondContact O-OG1 3.49Å; H952-T956 VanDerWaalsContact O-OG1 3.04Å
953V59.8Low63.4Low71 Ų7183.7 Ų83.743%0.4343%0.434SS..Hα-helixtrans-61.1-45.6179.3171.30000111.9A949 L950 S955 T956 I957A949-V953 WeakPolarHBondContact O-CG2 3.3Å; A949-V953 PolarHBondContact O-N 3.46Å; L950-V953 PolarHBondContact O-N 3.45Å; V953-S955 VanDerWaalsContact C-N 3.34Å; V953-S955 PolarHBondContact O-N 3.48Å; V953-T956 PolarHBondContact O-N 2.83Å; V953-I957 HydrophobicContact CG1-CD1 3.7Å; V953-I957 HydrophobicContact CG1-CG1 4.35Å; V953-I957 VanDerWaalsContact O-CG1 3.31Å; V953-I957 WeakPolarHBondContact O-CG1 3.08Å; V953-I957 PolarHBondContact O-N 3.04Å
954N69.7Low63.6Low46 Ų4678.6 Ų78.625%0.24641%0.409CS..Hα-helixtrans-66.2-35.3177.5-75.5-23.3000111.9L950 H952 K958L950-N954 VanDerWaalsContact O-CB 3.23Å; L950-N954 WeakPolarHBondContact O-CB 3.49Å; L950-N954 PolarHBondContact O-N 2.79Å; L950-N954 PolarHBondContact O-ND2 3.32Å; H952-N954 PolarHBondContact O-N 2.96Å; N954-K958 VanDerWaalsContact O-CB 3.24Å; N954-K958 WeakPolarHBondContact O-CB 3.41Å; N954-K958 PolarHBondContact O-N 3.48Å
955S63.4Low63.5Low57 Ų5773.3 Ų73.340%0.39939%0.387SS..Hα-helixtrans-63.5-46.8171.4-161.80000111.4G951 H952 V953 I957 K958 E959G951-S955 WeakPolarHBondContact O-CB 3.05Å; G951-S955 PolarHBondContact O-N 3.47Å; H952-S955 PolarHBondContact O-N 2.85Å; V953-S955 VanDerWaalsContact C-N 3.34Å; V953-S955 PolarHBondContact O-N 3.48Å; S955-I957 PolarHBondContact O-N 2.86Å; S955-K958 WeakPolarHBondContact O-CB 3.34Å; S955-K958 PolarHBondContact O-N 2.75Å; S955-E959 WeakPolarHBondContact O-CB 3.31Å; S955-E959 WeakPolarHBondContact O-CG 3.4Å; S955-E959 PolarHBondContact O-N 2.78Å
956T59.9Low63.5Low71 Ų7165.8 Ų65.844%0.43636%0.359SS..Hα-helixtrans-62.5-40.8177.3-58.90000111.9H952 V953 E959 L960H952-T956 PolarHBondContact O-N 2.92Å; H952-T956 PolarHBondContact O-OG1 3.49Å; H952-T956 VanDerWaalsContact O-OG1 3.04Å; V953-T956 PolarHBondContact O-N 2.83Å; T956-E959 PolarHBondContact O-N 2.91Å; T956-L960 HydrophobicContact CG2-CD1 4Å; T956-L960 WeakPolarHBondContact O-CB 3.24Å; T956-L960 WeakPolarHBondContact O-CD1 3.43Å; T956-L960 PolarHBondContact O-N 2.75Å
957I66.5Low63.5Low74 Ų7466.2 Ų66.238%0.37936%0.356SS..Hα-helixtrans-64.4-40.9174.2-69.6168.5000110.7I937 V953 S955 E959 L960 R961I937-I957 HydrophobicContact CD1-CD1 4.27Å; V953-I957 HydrophobicContact CG1-CD1 3.7Å; V953-I957 HydrophobicContact CG1-CG1 4.35Å; V953-I957 VanDerWaalsContact O-CG1 3.31Å; V953-I957 WeakPolarHBondContact O-CG1 3.08Å; V953-I957 PolarHBondContact O-N 3.04Å; S955-I957 PolarHBondContact O-N 2.86Å; I957-E959 VanDerWaalsContact C-N 3.35Å; I957-L960 PolarHBondContact O-N 2.97Å; I957-R961 VanDerWaalsContact O-CB 3.27Å; I957-R961 WeakPolarHBondContact O-CB 3.43Å; I957-R961 PolarHBondContact O-N 3.36Å
958K69.8Low63.6Low137 Ų13764.9 Ų64.960%0.59635%0.349SS*.Hα-helixtrans-66.6-34.8177.2-169.8163.8-172.6150.50112.5E934 N954 S955 R962E934-K958 IonicContact OE1-NZ 3.62Å; N954-K958 VanDerWaalsContact O-CB 3.24Å; N954-K958 WeakPolarHBondContact O-CB 3.41Å; N954-K958 PolarHBondContact O-N 3.48Å; S955-K958 WeakPolarHBondContact O-CB 3.34Å; S955-K958 PolarHBondContact O-N 2.75Å; K958-R962 PolarHBondContact O-N 3.09Å; K958-R962 VanDerWaalsContact O-N 3.15Å
959E64.4Low63.8Low95 Ų9565.7 Ų65.744%0.44435%0.347SS..Hα-helixtrans-71.6-50.2172.7-74.4166.9-179.700111.8S955 T956 I957 R961 R962 L963S955-E959 WeakPolarHBondContact O-CB 3.31Å; S955-E959 WeakPolarHBondContact O-CG 3.4Å; S955-E959 PolarHBondContact O-N 2.78Å; T956-E959 PolarHBondContact O-N 2.91Å; I957-E959 VanDerWaalsContact C-N 3.35Å; E959-R961 PolarHBondContact O-N 3.41Å; E959-R962 WeakPolarHBondContact O-CB 3.4Å; E959-R962 PolarHBondContact O-N 3.23Å; E959-L963 WeakPolarHBondContact O-CD1 3.19Å; E959-L963 PolarHBondContact O-N 3.24Å
960L66.4Low64Low65 Ų6568 Ų6834%0.3436%0.355SS..Hα-helixtrans-52-45172-100.563.3000110.4T956 I957 R962 L963 F964 F975T956-L960 HydrophobicContact CG2-CD1 4Å; T956-L960 WeakPolarHBondContact O-CB 3.24Å; T956-L960 WeakPolarHBondContact O-CD1 3.43Å; T956-L960 PolarHBondContact O-N 2.75Å; I957-L960 PolarHBondContact O-N 2.97Å; L960-R962 PolarHBondContact O-N 3.31Å; L960-L963 PolarHBondContact O-N 2.87Å; L960-F964 HydrophobicContact CB-CD2 4.25Å; L960-F964 HydrophobicContact CB-CE2 4.27Å; L960-F964 HydrophobicContact CD2-CE2 4.36Å; L960-F964 HydrophobicContact CG-CE2 4.26Å; L960-F964 WeakPolarHBondContact O-CB 3.44Å; L960-F964 WeakPolarHBondContact O-CD2 3.46Å; L960-F964 PolarHBondContact O-N 2.97Å; L960-F975 HydrophobicContact CG-CZ 4.39Å
961R67.2Low64Low60 Ų6068.1 Ų68.123%0.22636%0.356CS..Hα-helixtrans-55.2-49.8175.2-171.8-175.3-167.6165.714.6112Y930 L931 S933 I957 E959 L963 F964 L965Y930-R961 PolarHBondContact O-NH2 2.84Å; L931-R961 VanDerWaalsContact C-CZ 3.47Å; L931-R961 VanDerWaalsContact C-NH2 3.3Å; L931-R961 PolarHBondContact O-NE 3.21Å; L931-R961 VanDerWaalsContact O-NE 3.14Å; L931-R961 PolarHBondContact O-NH1 3.12Å; L931-R961 PolarHBondContact O-NH2 3.27Å; S933-R961 VanDerWaalsContact O-CZ 3.25Å; S933-R961 PolarHBondContact O-NH1 3.2Å; S933-R961 PolarHBondContact O-NH2 3.39Å; I957-R961 VanDerWaalsContact O-CB 3.27Å; I957-R961 WeakPolarHBondContact O-CB 3.43Å; I957-R961 PolarHBondContact O-N 3.36Å; E959-R961 PolarHBondContact O-N 3.41Å; R961-L963 VanDerWaalsContact C-N 3.33Å; R961-L963 PolarHBondContact O-N 2.83Å; R961-F964 PolarHBondContact O-N 2.94Å; R961-L965 HydrophobicContact CG-CD1 3.54Å; R961-L965 WeakPolarHBondContact O-CB 3.15Å; R961-L965 PolarHBondContact O-N 2.99Å
962R69.7Low64Low109 Ų10966.4 Ų66.441%0.41134%0.338SS..Hα-helixtrans-61-41.5177.9-162.1-17588.7-141.42.3112K958 E959 L960 D971K958-R962 PolarHBondContact O-N 3.09Å; K958-R962 VanDerWaalsContact O-N 3.15Å; E959-R962 WeakPolarHBondContact O-CB 3.4Å; E959-R962 PolarHBondContact O-N 3.23Å; L960-R962 PolarHBondContact O-N 3.31Å; R962-D971 IonicContact NH2-OD2 3.2Å; R962-D971 PolarHBondContact NH2-OD2 3.27Å
963L66.5Low64.5Low30 Ų3065.3 Ų65.316%0.15734%0.336CS..Hα-helixtrans-66.9-42.7178.4-90.550.3000112.3E959 L960 R961 D971 S972 F975E959-L963 WeakPolarHBondContact O-CD1 3.19Å; E959-L963 PolarHBondContact O-N 3.24Å; L960-L963 PolarHBondContact O-N 2.87Å; R961-L963 VanDerWaalsContact C-N 3.33Å; R961-L963 PolarHBondContact O-N 2.83Å; L963-D971 HydrophobicContact CD1-CB 4.44Å; L963-S972 VanDerWaalsContact O-CB 3.3Å; L963-S972 WeakPolarHBondContact O-CB 2.97Å; L963-F975 HydrophobicContact CB-CB 4.43Å; L963-F975 HydrophobicContact CB-CG 4.4Å; L963-F975 HydrophobicContact CD2-CB 3.94Å; L963-F975 HydrophobicContact CD2-CD2 3.69Å; L963-F975 HydrophobicContact CD2-CE2 4.35Å; L963-F975 HydrophobicContact CD2-CG 3.85Å; L963-F975 HydrophobicContact CG-CB 4.2Å; L963-F975 HydrophobicContact CG-CG 4.43Å
964F61Low65.1Low35 Ų3567.6 Ų67.615%0.15434%0.34CS..Hα-helixtrans-67.1-44.4176.4-85.4-64.7000112.5A898 L901 L902 T905 L960 R961 V966 F975A898-F964 HydrophobicContact CB-CZ 3.92Å; A898-F964 WeakPolarHBondContact O-CE1 3.25Å; L901-F964 HydrophobicContact CB-CD1 4.38Å; L901-F964 HydrophobicContact CB-CE1 3.8Å; L901-F964 HydrophobicContact CB-CZ 4.43Å; L902-F964 HydrophobicContact CB-CD1 4.08Å; L902-F964 HydrophobicContact CB-CE1 3.86Å; L902-F964 HydrophobicContact CD1-CD1 3.86Å; L902-F964 HydrophobicContact CD1-CE1 4.3Å; T905-F964 WeakPolarHBondContact CG2-O 3.26Å; L960-F964 HydrophobicContact CB-CD2 4.25Å; L960-F964 HydrophobicContact CB-CE2 4.27Å; L960-F964 HydrophobicContact CD2-CE2 4.36Å; L960-F964 HydrophobicContact CG-CE2 4.26Å; L960-F964 WeakPolarHBondContact O-CB 3.44Å; L960-F964 WeakPolarHBondContact O-CD2 3.46Å; L960-F964 PolarHBondContact O-N 2.97Å; R961-F964 PolarHBondContact O-N 2.94Å; F964-V966 VanDerWaalsContact C-N 3.29Å; F964-V966 WeakPolarHBondContact O-CG2 3.42Å; F964-V966 PolarHBondContact O-N 3.3Å; F964-F975 HydrophobicContact CE2-CE1 4.43Å; F964-F975 HydrophobicContact CZ-CE1 4.14Å
965L59.3Low65Low21 Ų2166.1 Ų66.111%0.1133%0.332CS..THydrogen-bonded Turntrans-83.95.2-167.7-86142.9000115.1R909 F927 L931 R961 D967R909-L965 PolarHBondContact NE-O 2.81Å; R909-L965 PolarHBondContact NH2-O 3.32Å; F927-L965 HydrophobicContact CB-CD2 3.41Å; F927-L965 VanDerWaalsContact CB-CD2 3.41Å; F927-L965 HydrophobicContact CD1-CD2 3.95Å; F927-L965 HydrophobicContact CG-CD2 3.83Å; L931-L965 HydrophobicContact CD1-CB 3.99Å; L931-L965 HydrophobicContact CD2-CB 4.04Å; L931-L965 HydrophobicContact CD2-CD1 4.09Å; L931-L965 HydrophobicContact CG-CB 3.66Å; L931-L965 HydrophobicContact CG-CD1 3.93Å; L931-L965 HydrophobicContact CG-CD2 4.17Å; L931-L965 HydrophobicContact CG-CG 4.11Å; R961-L965 HydrophobicContact CG-CD1 3.54Å; R961-L965 WeakPolarHBondContact O-CB 3.15Å; R961-L965 PolarHBondContact O-N 2.99Å; L965-D967 PolarHBondContact O-N 3.19Å
966V57.4Low65.4Low14 Ų1464.6 Ų64.69%0.08532%0.323CS..THydrogen-bonded Turntrans5551.4168.6-1690000111.8I906 R909 H925 F964 D968 L969I906-V966 HydrophobicContact CG1-CG2 4.04Å; R909-V966 HydrophobicContact CG-CB 3.79Å; R909-V966 HydrophobicContact CG-CG1 4.17Å; R909-V966 HydrophobicContact CG-CG2 3.9Å; H925-V966 PolarHBondContact NE2-O 3.09Å; F964-V966 VanDerWaalsContact C-N 3.29Å; F964-V966 WeakPolarHBondContact O-CG2 3.42Å; F964-V966 PolarHBondContact O-N 3.3Å; V966-D968 VanDerWaalsContact C-N 3.27Å; V966-L969 HydrophobicContact CG1-CB 3.99Å; V966-L969 HydrophobicContact CG1-CD1 4.03Å
967D59.4Low66.2Low80 Ų8065 Ų6543%0.42833%0.325SS..SBendtrans-63.8-43.7147-72.8-44.1000108.9H925 L931 L965H925-D967 IonicContact CE1-OD1 2.94Å; H925-D967 PolarHBondContact CE1-OD1 3.44Å; H925-D967 IonicContact ND1-OD1 3.95Å; H925-D967 IonicContact NE2-OD1 3.21Å; H925-D967 PolarHBondContact NE2-OD1 3.28Å; L931-D967 WeakPolarHBondContact CD1-OD2 3.13Å; L965-D967 PolarHBondContact O-N 3.19Å
968D61Low66.3Low70 Ų7066.6 Ų66.637%0.37433%0.334SS..  trans-116.798178.2-71.5-68.8000110.9V966 V970 D971 S972V966-D968 VanDerWaalsContact C-N 3.27Å; D968-V970 PolarHBondContact O-N 2.87Å; D968-D971 HydrophobicContact CB-CB 3.65Å; D968-D971 PolarHBondContact O-N 2.87Å; D968-D971 VanDerWaalsContact O-N 3.12Å; D968-S972 PolarHBondContact O-N 3.42Å
969L64.1Low66.2Low98 Ų9861.3 Ų61.351%0.51331%0.311SS..Hα-helixtrans-55.1-35.4170.2-176.267.8000111.1I906 V966 S972 L973I906-L969 HydrophobicContact CG2-CD1 4.49Å; V966-L969 HydrophobicContact CG1-CB 3.99Å; V966-L969 HydrophobicContact CG1-CD1 4.03Å; L969-S972 WeakPolarHBondContact CA-OG 3.42Å; L969-S972 PolarHBondContact O-N 3.46Å; L969-S972 PolarHBondContact O-OG 2.95Å; L969-L973 WeakPolarHBondContact O-CB 3.45Å; L969-L973 PolarHBondContact O-N 3.47Å
970V63.1Low66.8Low95 Ų9565.1 Ų65.158%0.57632%0.322SS*.Hα-helixtrans-67.9-40.1177.7179.90000112.2D968 L973 K974D968-V970 PolarHBondContact O-N 2.87Å; V970-L973 PolarHBondContact O-N 2.79Å; V970-K974 WeakPolarHBondContact O-CG 3.2Å; V970-K974 PolarHBondContact O-N 3.1Å
971D64.7Low66.9Low32 Ų3265.3 Ų65.317%0.17133%0.326CS..Hα-helixtrans-74.7-32.8174.8-74.84.3000111.7R962 L963 D968 L973 K974 F975R962-D971 IonicContact NH2-OD2 3.2Å; R962-D971 PolarHBondContact NH2-OD2 3.27Å; L963-D971 HydrophobicContact CD1-CB 4.44Å; D968-D971 HydrophobicContact CB-CB 3.65Å; D968-D971 PolarHBondContact O-N 2.87Å; D968-D971 VanDerWaalsContact O-N 3.12Å; D971-L973 VanDerWaalsContact C-N 3.27Å; D971-L973 PolarHBondContact O-N 3.32Å; D971-K974 WeakPolarHBondContact O-CB 3.49Å; D971-K974 PolarHBondContact O-N 3.16Å; D971-K974 WeakPolarHBondContact OD1-CE 3.44Å; D971-K974 IonicContact OD1-NZ 2.66Å; D971-K974 PolarHBondContact OD1-NZ 3.33Å; D971-F975 WeakPolarHBondContact O-CB 3.2Å; D971-F975 PolarHBondContact O-N 3.45Å
972S68.3Low66.7Low1 Ų166.5 Ų66.51%0.00733%0.332CS..Hα-helixtrans-62.1-35.9171.282.20000111.7L963 D968 L969 F975 A976L963-S972 VanDerWaalsContact O-CB 3.3Å; L963-S972 WeakPolarHBondContact O-CB 2.97Å; D968-S972 PolarHBondContact O-N 3.42Å; L969-S972 WeakPolarHBondContact CA-OG 3.42Å; L969-S972 PolarHBondContact O-N 3.46Å; L969-S972 PolarHBondContact O-OG 2.95Å; S972-F975 PolarHBondContact O-N 2.65Å; S972-A976 PolarHBondContact O-N 2.83Å
973L72.6Confident66.6Low111 Ų11162.6 Ų62.658%0.58132%0.321SS*.Hα-helixtrans-71.3-40.9173.4-17961.5000112L969 V970 D971 F975 A976 V977L969-L973 WeakPolarHBondContact O-CB 3.45Å; L969-L973 PolarHBondContact O-N 3.47Å; V970-L973 PolarHBondContact O-N 2.79Å; D971-L973 VanDerWaalsContact C-N 3.27Å; D971-L973 PolarHBondContact O-N 3.32Å; L973-F975 VanDerWaalsContact C-N 3.26Å; L973-F975 PolarHBondContact O-N 3.43Å; L973-A976 PolarHBondContact O-N 3.39Å; L973-V977 WeakPolarHBondContact O-CG2 3.07Å; L973-V977 PolarHBondContact O-N 2.81Å
974K72.4Confident66.6Low118 Ų11868.7 Ų68.751%0.51334%0.343SS..Hα-helixtrans-57.4-42.3170.1-68.3169.5-165157.90110.8V970 D971 V977 L978V970-K974 WeakPolarHBondContact O-CG 3.2Å; V970-K974 PolarHBondContact O-N 3.1Å; D971-K974 WeakPolarHBondContact O-CB 3.49Å; D971-K974 PolarHBondContact O-N 3.16Å; D971-K974 WeakPolarHBondContact OD1-CE 3.44Å; D971-K974 IonicContact OD1-NZ 2.66Å; D971-K974 PolarHBondContact OD1-NZ 3.33Å; K974-V977 PolarHBondContact O-N 3.16Å; K974-L978 WeakPolarHBondContact O-CG 3.48Å; K974-L978 PolarHBondContact O-N 2.93Å
975F69.3Low66.6Low16 Ų1669.6 Ų69.67%0.0735%0.351CS..Hα-helixtrans-68.4-37.4177.4-172.2-116.9000112.6L902 L960 L963 F964 D971 S972 L973 V977 L978 M979L902-F975 HydrophobicContact CD1-CD1 4.28Å; L902-F975 HydrophobicContact CD2-CD1 3.95Å; L960-F975 HydrophobicContact CG-CZ 4.39Å; L963-F975 HydrophobicContact CB-CB 4.43Å; L963-F975 HydrophobicContact CB-CG 4.4Å; L963-F975 HydrophobicContact CD2-CB 3.94Å; L963-F975 HydrophobicContact CD2-CD2 3.69Å; L963-F975 HydrophobicContact CD2-CE2 4.35Å; L963-F975 HydrophobicContact CD2-CG 3.85Å; L963-F975 HydrophobicContact CG-CB 4.2Å; L963-F975 HydrophobicContact CG-CG 4.43Å; F964-F975 HydrophobicContact CE2-CE1 4.43Å; F964-F975 HydrophobicContact CZ-CE1 4.14Å; D971-F975 WeakPolarHBondContact O-CB 3.2Å; D971-F975 PolarHBondContact O-N 3.45Å; S972-F975 PolarHBondContact O-N 2.65Å; L973-F975 VanDerWaalsContact C-N 3.26Å; L973-F975 PolarHBondContact O-N 3.43Å; F975-V977 VanDerWaalsContact C-N 3.33Å; F975-V977 PolarHBondContact O-N 2.75Å; F975-L978 PolarHBondContact O-N 2.79Å; F975-M979 HydrophobicContact CD1-CG 4.21Å; F975-M979 HydrophobicContact CD2-CG 4.37Å; F975-M979 HydrophobicContact CE1-CG 3.83Å; F975-M979 HydrophobicContact CE1-SD 4.46Å; F975-M979 HydrophobicContact CE2-CE 3.85Å; F975-M979 HydrophobicContact CE2-CG 4.01Å; F975-M979 HydrophobicContact CE2-SD 4.25Å; F975-M979 HydrophobicContact CG-CG 4.47Å; F975-M979 HydrophobicContact CZ-CE 4.07Å; F975-M979 HydrophobicContact CZ-CG 3.72Å; F975-M979 HydrophobicContact CZ-SD 3.88Å; F975-M979 WeakPolarHBondContact O-CB 3.26Å; F975-M979 WeakPolarHBondContact O-CG 3.44Å; F975-M979 PolarHBondContact O-N 2.96Å
976A71.7Confident66.7Low25 Ų2569.3 Ų69.321%0.20735%0.353CS..Hα-helixtrans-60.1-41.9171.200000111.8L902 S972 L973 M979 W980L902-A976 HydrophobicContact CD2-CB 3.81Å; S972-A976 PolarHBondContact O-N 2.83Å; L973-A976 PolarHBondContact O-N 3.39Å; A976-M979 PolarHBondContact O-N 3.39Å; A976-W980 WeakPolarHBondContact O-CB 3.42Å; A976-W980 PolarHBondContact O-N 2.8Å
977V76.5Confident66.9Low78 Ų7872 Ų7247%0.47338%0.377SS..Hα-helixtrans-66.3-41.5173.8174.30000111.5L973 K974 F975 M979 W980 V981L973-V977 WeakPolarHBondContact O-CG2 3.07Å; L973-V977 PolarHBondContact O-N 2.81Å; K974-V977 PolarHBondContact O-N 3.16Å; F975-V977 VanDerWaalsContact C-N 3.33Å; F975-V977 PolarHBondContact O-N 2.75Å; V977-M979 VanDerWaalsContact C-N 3.35Å; V977-M979 PolarHBondContact O-N 3.45Å; V977-W980 PolarHBondContact O-N 3.23Å; V977-V981 WeakPolarHBondContact O-CG2 3.46Å; V977-V981 PolarHBondContact O-N 3.37Å
978L68.2Low66.7Low109 Ų10972.3 Ų72.357%0.57138%0.378SS*.Hα-helixtrans-62.3-40.2174.4-73169.9000112K974 F975 V981 F982K974-L978 WeakPolarHBondContact O-CG 3.48Å; K974-L978 PolarHBondContact O-N 2.93Å; F975-L978 PolarHBondContact O-N 2.79Å; L978-V981 PolarHBondContact O-N 2.9Å; L978-F982 WeakPolarHBondContact O-CB 3.37Å; L978-F982 PolarHBondContact O-N 3.5Å
979M68.4Low66.5Low26 Ų2670.9 Ų70.913%0.12837%0.369CS..Hα-helixtrans-73.4-30.3175.8-70.9-679900112.9A895 A898 L899 F975 A976 V977 F982 T983A895-M979 HydrophobicContact CB-SD 3.98Å; A898-M979 HydrophobicContact CB-SD 4.16Å; L899-M979 HydrophobicContact CD1-CB 4.17Å; L899-M979 HydrophobicContact CD2-CB 3.81Å; L899-M979 HydrophobicContact CG-CB 3.8Å; F975-M979 HydrophobicContact CD1-CG 4.21Å; F975-M979 HydrophobicContact CD2-CG 4.37Å; F975-M979 HydrophobicContact CE1-CG 3.83Å; F975-M979 HydrophobicContact CE1-SD 4.46Å; F975-M979 HydrophobicContact CE2-CE 3.85Å; F975-M979 HydrophobicContact CE2-CG 4.01Å; F975-M979 HydrophobicContact CE2-SD 4.25Å; F975-M979 HydrophobicContact CG-CG 4.47Å; F975-M979 HydrophobicContact CZ-CE 4.07Å; F975-M979 HydrophobicContact CZ-CG 3.72Å; F975-M979 HydrophobicContact CZ-SD 3.88Å; F975-M979 WeakPolarHBondContact O-CB 3.26Å; F975-M979 WeakPolarHBondContact O-CG 3.44Å; F975-M979 PolarHBondContact O-N 2.96Å; A976-M979 PolarHBondContact O-N 3.39Å; V977-M979 VanDerWaalsContact C-N 3.35Å; V977-M979 PolarHBondContact O-N 3.45Å; M979-F982 HydrophobicContact CE-CB 3.95Å; M979-F982 HydrophobicContact CE-CD1 4.31Å; M979-F982 HydrophobicContact CE-CG 4.19Å; M979-F982 CarbonylContact O-C 3.41Å; M979-F982 PolarHBondContact O-N 2.82Å; M979-T983 WeakPolarHBondContact O-CB 3.32Å; M979-T983 PolarHBondContact O-N 3.5Å; M979-T983 PolarHBondContact O-OG1 3.45Å
980W75.1Confident66.4Low175 Ų17571.4 Ų71.466%0.66337%0.372SS*.Hα-helixtrans-65.9-44.6169178.876.2000111.1A976 V977 F982 T983 Y984A976-W980 WeakPolarHBondContact O-CB 3.42Å; A976-W980 PolarHBondContact O-N 2.8Å; V977-W980 PolarHBondContact O-N 3.23Å; W980-F982 VanDerWaalsContact C-N 3.32Å; W980-F982 PolarHBondContact O-N 3.32Å; W980-T983 WeakPolarHBondContact O-CB 3.21Å; W980-T983 PolarHBondContact O-N 2.76Å; W980-Y984 PolarHBondContact O-N 3.4Å
981V68.7Low66.5Low69 Ų6969 Ų6942%0.41837%0.367SS..Hα-helixtrans-61.7-40.1169.9173.30000110.9V977 L978 T983 Y984 V985V977-V981 WeakPolarHBondContact O-CG2 3.46Å; V977-V981 PolarHBondContact O-N 3.37Å; L978-V981 PolarHBondContact O-N 2.9Å; V981-T983 VanDerWaalsContact C-N 3.29Å; V981-T983 PolarHBondContact O-N 2.93Å; V981-Y984 CarbonylContact O-C 3.42Å; V981-Y984 WeakPolarHBondContact O-CA 3.38Å; V981-Y984 WeakPolarHBondContact O-CB 3.18Å; V981-Y984 PolarHBondContact O-N 3.49Å; V981-Y984 VanDerWaalsContact O-N 3.1Å; V981-V985 HydrophobicContact CG1-CG2 4.45Å; V981-V985 WeakPolarHBondContact O-CG2 3.34Å; V981-V985 PolarHBondContact O-N 2.81Å
982F63.4Low66.8Low84 Ų8469.4 Ų69.437%0.36837%0.368SS..Hα-helixtrans-69.1-27.7177.2-149.9-112.9000112.6V891 A895 L978 M979 W980 V985 G986V891-F982 HydrophobicContact CB-CE1 4.19Å; V891-F982 HydrophobicContact CG1-CD1 3.91Å; V891-F982 HydrophobicContact CG1-CE1 3.59Å; V891-F982 HydrophobicContact CG1-CZ 3.96Å; V891-F982 WeakPolarHBondContact O-CD1 3.32Å; A895-F982 HydrophobicContact CB-CD1 4.16Å; L978-F982 WeakPolarHBondContact O-CB 3.37Å; L978-F982 PolarHBondContact O-N 3.5Å; M979-F982 HydrophobicContact CE-CB 3.95Å; M979-F982 HydrophobicContact CE-CD1 4.31Å; M979-F982 HydrophobicContact CE-CG 4.19Å; M979-F982 CarbonylContact O-C 3.41Å; M979-F982 PolarHBondContact O-N 2.82Å; W980-F982 VanDerWaalsContact C-N 3.32Å; W980-F982 PolarHBondContact O-N 3.32Å; F982-V985 HydrophobicContact CD2-CB 4.47Å; F982-V985 CarbonylContact O-C 3.48Å; F982-V985 PolarHBondContact O-N 2.93Å; F982-G986 PolarHBondContact O-N 3.09Å
983T68.7Low67Low28 Ų2872 Ų7217%0.17238%0.384CS..Hα-helixtrans-67.6-39.6168.8-560000110.6Y896 M979 W980 V981 G986 A987Y896-T983 HydrophobicContact CE1-CG2 3.89Å; Y896-T983 HydrophobicContact CE2-CG2 4.21Å; Y896-T983 VanDerWaalsContact OH-CG2 3.26Å; Y896-T983 WeakPolarHBondContact OH-CG2 3.4Å; M979-T983 WeakPolarHBondContact O-CB 3.32Å; M979-T983 PolarHBondContact O-N 3.5Å; M979-T983 PolarHBondContact O-OG1 3.45Å; W980-T983 WeakPolarHBondContact O-CB 3.21Å; W980-T983 PolarHBondContact O-N 2.76Å; V981-T983 VanDerWaalsContact C-N 3.29Å; V981-T983 PolarHBondContact O-N 2.93Å; T983-G986 CarbonylContact O-C 3.49Å; T983-G986 WeakPolarHBondContact O-CA 3.43Å; T983-G986 PolarHBondContact O-N 3.14Å; T983-A987 PolarHBondContact O-N 2.88Å
984Y65.4Low67.1Low158 Ų15871.9 Ų71.962%0.6238%0.383SS*.Hα-helixtrans-69.6-31.4170.7-167.5-91.8000112.8W980 V981 G986 A987 L988W980-Y984 PolarHBondContact O-N 3.4Å; V981-Y984 CarbonylContact O-C 3.42Å; V981-Y984 WeakPolarHBondContact O-CA 3.38Å; V981-Y984 WeakPolarHBondContact O-CB 3.18Å; V981-Y984 PolarHBondContact O-N 3.49Å; V981-Y984 VanDerWaalsContact O-N 3.1Å; Y984-G986 PolarHBondContact O-N 3.24Å; Y984-A987 CarbonylContact O-C 3.55Å; Y984-A987 WeakPolarHBondContact O-CA 3.35Å; Y984-A987 VanDerWaalsContact O-CB 3.3Å; Y984-A987 WeakPolarHBondContact O-CB 3.44Å; Y984-A987 PolarHBondContact O-N 2.84Å; Y984-L988 PolarHBondContact O-N 2.88Å; Y984-L988 VanDerWaalsContact O-N 3.09Å
985V60.8Low67.3Low54 Ų5470.5 Ų70.533%0.32738%0.381SS..Hα-helixtrans-67.2-27.1166.4177.40000110.8V981 F982 A987 L988V981-V985 HydrophobicContact CG1-CG2 4.45Å; V981-V985 WeakPolarHBondContact O-CG2 3.34Å; V981-V985 PolarHBondContact O-N 2.81Å; F982-V985 HydrophobicContact CD2-CB 4.47Å; F982-V985 CarbonylContact O-C 3.48Å; F982-V985 PolarHBondContact O-N 2.93Å; V985-A987 PolarHBondContact O-N 3.39Å; V985-L988 HydrophobicContact CG1-CB 4.48Å; V985-L988 HydrophobicContact CG2-CD1 4.16Å; V985-L988 CarbonylContact O-C 3.58Å; V985-L988 VanDerWaalsContact O-CA 3.29Å; V985-L988 WeakPolarHBondContact O-CA 3.41Å; V985-L988 WeakPolarHBondContact O-CB 3.21Å; V985-L988 PolarHBondContact O-N 3.28Å
986G60.8Low67.7Low14 Ų1470.9 Ų70.914%0.14438%0.384CS..THydrogen-bonded Turntrans-66.1-11.4163.100000114.7F982 T983 Y984 F989F982-G986 PolarHBondContact O-N 3.09Å; T983-G986 CarbonylContact O-C 3.49Å; T983-G986 WeakPolarHBondContact O-CA 3.43Å; T983-G986 PolarHBondContact O-N 3.14Å; Y984-G986 PolarHBondContact O-N 3.24Å; G986-F989 WeakPolarHBondContact O-CD2 3.35Å; G986-F989 WeakPolarHBondContact O-CE2 3.35Å
987A61.6Low68.1Low71 Ų7173.8 Ų73.859%0.58740%0.395SS*.THydrogen-bonded Turntrans-94.5-20.1161.100000112.1T983 Y984 V985 F989T983-A987 PolarHBondContact O-N 2.88Å; Y984-A987 CarbonylContact O-C 3.55Å; Y984-A987 WeakPolarHBondContact O-CA 3.35Å; Y984-A987 VanDerWaalsContact O-CB 3.3Å; Y984-A987 WeakPolarHBondContact O-CB 3.44Å; Y984-A987 PolarHBondContact O-N 2.84Å; V985-A987 PolarHBondContact O-N 3.39Å; A987-F989 PolarHBondContact O-N 2.8Å
988L56.1Low68.3Low86 Ų8672.6 Ų72.645%0.4539%0.394SS..THydrogen-bonded Turntrans-75.428.7170.3-57.8-179.9000113.9Y984 V985 N990 G991Y984-L988 PolarHBondContact O-N 2.88Å; Y984-L988 VanDerWaalsContact O-N 3.09Å; V985-L988 HydrophobicContact CG1-CB 4.48Å; V985-L988 HydrophobicContact CG2-CD1 4.16Å; V985-L988 CarbonylContact O-C 3.58Å; V985-L988 VanDerWaalsContact O-CA 3.29Å; V985-L988 WeakPolarHBondContact O-CA 3.41Å; V985-L988 WeakPolarHBondContact O-CB 3.21Å; V985-L988 PolarHBondContact O-N 3.28Å; L988-N990 PolarHBondContact O-N 2.86Å; L988-G991 PolarHBondContact O-N 2.72Å
989F55.9Low69Low41 Ų4168.7 Ų68.718%0.1837%0.373CS..Hα-helixtrans-56-10.9156.5-78-68.7000112.6T886 S889 G986 A987 G991 L992 T993T886-F989 WeakPolarHBondContact O-CE1 3.08Å; S889-F989 WeakPolarHBondContact OG-CE2 3.26Å; S889-F989 WeakPolarHBondContact OG-CZ 3.15Å; G986-F989 WeakPolarHBondContact O-CD2 3.35Å; G986-F989 WeakPolarHBondContact O-CE2 3.35Å; A987-F989 PolarHBondContact O-N 2.8Å; F989-G991 VanDerWaalsContact C-N 3.25Å; F989-G991 PolarHBondContact O-N 3.31Å; F989-L992 HydrophobicContact CD1-CB 4.1Å; F989-L992 HydrophobicContact CD1-CD2 3.95Å; F989-L992 HydrophobicContact CE1-CD2 3.85Å; F989-L992 PolarHBondContact O-N 2.89Å; F989-T993 WeakPolarHBondContact O-CA 3.38Å; F989-T993 WeakPolarHBondContact O-CB 3.48Å; F989-T993 PolarHBondContact O-N 3.12Å; F989-T993 PolarHBondContact O-OG1 3.32Å
990N62.8Low69.6Low109 Ų10970.3 Ų70.358%0.58338%0.382SS*.Hα-helixtrans-47.9-44.4160.4-168.918.8000112.7L988 T993 L994L988-N990 PolarHBondContact O-N 2.86Å; N990-T993 CarbonylContact O-C 3.22Å; N990-T993 WeakPolarHBondContact O-CB 3.41Å; N990-T993 PolarHBondContact O-N 3.23Å; N990-L994 WeakPolarHBondContact O-CG 3.32Å; N990-L994 PolarHBondContact O-N 2.98Å
991G65.5Low69.9Low45 Ų4564.3 Ų64.346%0.46437%0.367SS..Hα-helixtrans-70.4-38.7179.200000113.7L988 F989 T993 L994 L995L988-G991 PolarHBondContact O-N 2.72Å; F989-G991 VanDerWaalsContact C-N 3.25Å; F989-G991 PolarHBondContact O-N 3.31Å; G991-T993 VanDerWaalsContact C-N 3.33Å; G991-L994 WeakPolarHBondContact O-CB 3.17Å; G991-L994 PolarHBondContact O-N 3.06Å; G991-L995 PolarHBondContact O-N 3.34Å; G991-L995 VanDerWaalsContact O-N 3.12Å
992L71.2Confident70.6Confident40 Ų4065.8 Ų65.821%0.20937%0.372CS..Hα-helixtrans-76.7-25175.4-157.860.1000111.7L885 T886 F989 L995 I996L885-L992 HydrophobicContact CB-CD2 4.47Å; L885-L992 HydrophobicContact CG-CD2 4.36Å; L885-L992 WeakPolarHBondContact O-CD2 3.15Å; T886-L992 HydrophobicContact CG2-CB 4.2Å; T886-L992 HydrophobicContact CG2-CD2 3.46Å; T886-L992 VanDerWaalsContact CG2-CD2 3.46Å; T886-L992 HydrophobicContact CG2-CG 3.54Å; F989-L992 HydrophobicContact CD1-CB 4.1Å; F989-L992 HydrophobicContact CD1-CD2 3.95Å; F989-L992 HydrophobicContact CE1-CD2 3.85Å; F989-L992 PolarHBondContact O-N 2.89Å; L992-L995 HydrophobicContact CD1-CB 4.28Å; L992-L995 HydrophobicContact CD1-CD2 3.81Å; L992-L995 WeakPolarHBondContact O-CB 3.28Å; L992-L995 PolarHBondContact O-N 3.42Å; L992-I996 WeakPolarHBondContact O-CG1 3.47Å; L992-I996 PolarHBondContact O-N 2.83Å
993T71.6Confident71.4Confident56 Ų5662.7 Ų62.734%0.34436%0.358SS..Hα-helixtrans-67.8-38.4166.3-61.10000110.5F989 N990 G991 L995 I996 L997F989-T993 WeakPolarHBondContact O-CA 3.38Å; F989-T993 WeakPolarHBondContact O-CB 3.48Å; F989-T993 PolarHBondContact O-N 3.12Å; F989-T993 PolarHBondContact O-OG1 3.32Å; N990-T993 CarbonylContact O-C 3.22Å; N990-T993 WeakPolarHBondContact O-CB 3.41Å; N990-T993 PolarHBondContact O-N 3.23Å; G991-T993 VanDerWaalsContact C-N 3.33Å; T993-L995 VanDerWaalsContact C-N 3.26Å; T993-L995 PolarHBondContact O-N 2.92Å; T993-I996 PolarHBondContact O-N 3.33Å; T993-L997 HydrophobicContact CG2-CD1 3.91Å; T993-L997 HydrophobicContact CG2-CG 4.18Å; T993-L997 VanDerWaalsContact O-CB 3.24Å; T993-L997 WeakPolarHBondContact O-CB 3.23Å; T993-L997 WeakPolarHBondContact O-CG 3.23Å; T993-L997 PolarHBondContact O-N 2.91Å
994L75.8Confident71.8Confident107 Ų10763.9 Ų63.956%0.5637%0.368SS*.Hα-helixtrans-62.6-33168.9-71.4176.5000112N990 G991 A998N990-L994 WeakPolarHBondContact O-CG 3.32Å; N990-L994 PolarHBondContact O-N 2.98Å; G991-L994 WeakPolarHBondContact O-CB 3.17Å; G991-L994 PolarHBondContact O-N 3.06Å; L994-A998 WeakPolarHBondContact O-CB 3.24Å; L994-A998 PolarHBondContact O-N 3.36Å
995L76.1Confident72.4Confident90 Ų9061.3 Ų61.347%0.47136%0.364SS..Hα-helixtrans-70.9-42.8172.8-17069.1000112.4L882 G991 L992 T993 A998 L999L882-L995 HydrophobicContact CD2-CD2 3.93Å; L882-L995 HydrophobicContact CD2-CG 3.81Å; L882-L995 HydrophobicContact CG-CD2 4.35Å; G991-L995 PolarHBondContact O-N 3.34Å; G991-L995 VanDerWaalsContact O-N 3.12Å; L992-L995 HydrophobicContact CD1-CB 4.28Å; L992-L995 HydrophobicContact CD1-CD2 3.81Å; L992-L995 WeakPolarHBondContact O-CB 3.28Å; L992-L995 PolarHBondContact O-N 3.42Å; T993-L995 VanDerWaalsContact C-N 3.26Å; T993-L995 PolarHBondContact O-N 2.92Å; L995-A998 PolarHBondContact O-N 3.3Å; L995-L999 PolarHBondContact O-N 2.91Å
996I77.9Confident73.2Confident23 Ų2359.6 Ų59.612%0.11835%0.354CS..Hα-helixtrans-57.7-50.5170.6-67.3159.8000110L879 L882 T886 L992 T993 A998 L999 I1000L879-I996 HydrophobicContact CD1-CG2 3.92Å; L882-I996 HydrophobicContact CB-CG1 4.48Å; T886-I996 HydrophobicContact CG2-CD1 3.4Å; T886-I996 VanDerWaalsContact CG2-CD1 3.4Å; T886-I996 HydrophobicContact CG2-CG1 4.07Å; L992-I996 WeakPolarHBondContact O-CG1 3.47Å; L992-I996 PolarHBondContact O-N 2.83Å; T993-I996 PolarHBondContact O-N 3.33Å; I996-A998 VanDerWaalsContact C-N 3.29Å; I996-A998 PolarHBondContact O-N 2.94Å; I996-L999 PolarHBondContact O-N 2.88Å; I996-L999 VanDerWaalsContact O-N 3.16Å; I996-I1000 HydrophobicContact CG2-CD1 3.52Å; I996-I1000 HydrophobicContact CG2-CG1 4.1Å; I996-I1000 WeakPolarHBondContact O-CB 3.39Å; I996-I1000 VanDerWaalsContact O-CG1 3.31Å; I996-I1000 WeakPolarHBondContact O-CG1 3.42Å; I996-I1000 PolarHBondContact O-N 2.78Å
997L80.3Confident73.9Confident86 Ų8660.3 Ų60.345%0.4536%0.355SS..Hα-helixtrans-63.9-34-180-73172000111.5T993 S1001T993-L997 HydrophobicContact CG2-CD1 3.91Å; T993-L997 HydrophobicContact CG2-CG 4.18Å; T993-L997 VanDerWaalsContact O-CB 3.24Å; T993-L997 WeakPolarHBondContact O-CB 3.23Å; T993-L997 WeakPolarHBondContact O-CG 3.23Å; T993-L997 PolarHBondContact O-N 2.91Å; L997-S1001 WeakPolarHBondContact O-CA 3.46Å; L997-S1001 WeakPolarHBondContact O-CB 3.42Å; L997-S1001 PolarHBondContact O-N 3.2Å; L997-S1001 PolarHBondContact O-OG 3.22Å
998A79.9Confident74.7Confident53 Ų5360.6 Ų60.644%0.43835%0.346SS..Hα-helixtrans-67.1-43.4172.300000111.6L994 L995 I996 S1001 L1002L994-A998 WeakPolarHBondContact O-CB 3.24Å; L994-A998 PolarHBondContact O-N 3.36Å; L995-A998 PolarHBondContact O-N 3.3Å; I996-A998 VanDerWaalsContact C-N 3.29Å; I996-A998 PolarHBondContact O-N 2.94Å; A998-S1001 PolarHBondContact O-N 2.75Å; A998-L1002 WeakPolarHBondContact O-CB 3.3Å; A998-L1002 PolarHBondContact O-N 3.17Å
999L82.1Confident75.9Confident27 Ų2760.7 Ų60.714%0.14134%0.341CS..Hα-helixtrans-65.3-47175.7-174.770.5000111.7F875 S878 L879 L882 L995 I996 L1002 F1003F875-L999 HydrophobicContact CE2-CG 4.41Å; S878-L999 WeakPolarHBondContact OG-CD2 3.41Å; L879-L999 HydrophobicContact CB-CD2 4.41Å; L882-L999 HydrophobicContact CD1-CD2 4.47Å; L882-L999 HydrophobicContact CD2-CB 4.27Å; L882-L999 HydrophobicContact CD2-CD2 3.91Å; L995-L999 PolarHBondContact O-N 2.91Å; I996-L999 PolarHBondContact O-N 2.88Å; I996-L999 VanDerWaalsContact O-N 3.16Å; L999-L1002 PolarHBondContact O-N 3.42Å; L999-F1003 HydrophobicContact CD1-CD2 3.96Å; L999-F1003 HydrophobicContact CD1-CE2 3.75Å; L999-F1003 HydrophobicContact CG-CD2 4.38Å; L999-F1003 WeakPolarHBondContact O-CD2 3.48Å; L999-F1003 PolarHBondContact O-N 3.32Å; L999-F1003 VanDerWaalsContact O-N 3.1Å
1000I82.6Confident77.1Confident60 Ų6064.9 Ų64.931%0.30836%0.361SS..Hα-helixtrans-59.9-46.7174.5-67.1175.2000109.7F875 L879 I996 L1002 F1003 S1004F875-I1000 HydrophobicContact CZ-CG1 4.18Å; L879-I1000 HydrophobicContact CD1-CD1 4.23Å; L879-I1000 HydrophobicContact CD1-CG1 4.08Å; I996-I1000 HydrophobicContact CG2-CD1 3.52Å; I996-I1000 HydrophobicContact CG2-CG1 4.1Å; I996-I1000 WeakPolarHBondContact O-CB 3.39Å; I996-I1000 VanDerWaalsContact O-CG1 3.31Å; I996-I1000 WeakPolarHBondContact O-CG1 3.42Å; I996-I1000 PolarHBondContact O-N 2.78Å; I1000-L1002 VanDerWaalsContact C-N 3.35Å; I1000-L1002 PolarHBondContact O-N 3.21Å; I1000-F1003 PolarHBondContact O-N 2.82Å; I1000-S1004 WeakPolarHBondContact O-CA 3.42Å; I1000-S1004 WeakPolarHBondContact O-CB 3.28Å; I1000-S1004 PolarHBondContact O-N 3.38Å
1001S81.9Confident77.9Confident50 Ų5068.6 Ų68.635%0.3537%0.367SS..Hα-helixtrans-60.9-43.8177.6-64.80000111.6L997 A998 F1003 S1004 I1005L997-S1001 WeakPolarHBondContact O-CA 3.46Å; L997-S1001 WeakPolarHBondContact O-CB 3.42Å; L997-S1001 PolarHBondContact O-N 3.2Å; L997-S1001 PolarHBondContact O-OG 3.22Å; A998-S1001 PolarHBondContact O-N 2.75Å; S1001-F1003 VanDerWaalsContact C-N 3.35Å; S1001-F1003 PolarHBondContact O-N 2.94Å; S1001-S1004 PolarHBondContact O-N 2.81Å; S1001-I1005 WeakPolarHBondContact O-CB 3.31Å; S1001-I1005 WeakPolarHBondContact O-CG1 3.43Å; S1001-I1005 PolarHBondContact O-N 2.88Å
1002L83.2Confident78.6Confident99 Ų9970 Ų7052%0.51836%0.361SS..Hα-helixtrans-59.9-43.8-180-174.257.3000111.5L863 A998 L999 I1000 P1006L863-L1002 HydrophobicContact CD1-CD1 4.42Å; L863-L1002 HydrophobicContact CD1-CG 3.87Å; L863-L1002 WeakPolarHBondContact CD1-O 3.15Å; L863-L1002 HydrophobicContact CD2-CD1 4.04Å; L863-L1002 HydrophobicContact CD2-CG 4.4Å; L863-L1002 WeakPolarHBondContact CD2-O 3.43Å; L863-L1002 WeakPolarHBondContact CG-O 3.19Å; A998-L1002 WeakPolarHBondContact O-CB 3.3Å; A998-L1002 PolarHBondContact O-N 3.17Å; L999-L1002 PolarHBondContact O-N 3.42Å; I1000-L1002 VanDerWaalsContact C-N 3.35Å; I1000-L1002 PolarHBondContact O-N 3.21Å; L1002-P1006 WeakPolarHBondContact O-CD 3.45Å
1003F79.3Confident79Confident20 Ų2072.9 Ų72.99%0.08837%0.373CS..Hα-helixtrans-85.1-17.8178.1-81.1-94000115.2L862 L863 W865 F875 L999 I1000 S1001L862-F1003 HydrophobicContact CD2-CE1 3.77Å; L862-F1003 HydrophobicContact CD2-CZ 3.79Å; L862-F1003 HydrophobicContact CG-CE1 3.99Å; L863-F1003 HydrophobicContact CD1-CB 4.49Å; L863-F1003 HydrophobicContact CD1-CD1 3.83Å; L863-F1003 HydrophobicContact CD1-CD2 3.87Å; L863-F1003 HydrophobicContact CD1-CE1 3.95Å; L863-F1003 HydrophobicContact CD1-CE2 4Å; L863-F1003 HydrophobicContact CD1-CG 3.8Å; L863-F1003 HydrophobicContact CD1-CZ 4.04Å; W865-F1003 PolarHBondContact NE1-O 2.88Å; F875-F1003 HydrophobicContact CB-CD1 4.04Å; F875-F1003 HydrophobicContact CB-CE1 4.14Å; F875-F1003 HydrophobicContact CB-CG 4.45Å; F875-F1003 HydrophobicContact CD2-CB 3.58Å; F875-F1003 AromaticContact CD2-CD1 3.84Å; F875-F1003 HydrophobicContact CD2-CD1 3.84Å; F875-F1003 AromaticContact CD2-CD2 3.58Å; F875-F1003 HydrophobicContact CD2-CD2 3.58Å; F875-F1003 HydrophobicContact CD2-CE1 4.4Å; F875-F1003 HydrophobicContact CD2-CE2 4.18Å; F875-F1003 AromaticContact CD2-CG 3.38Å; F875-F1003 HydrophobicContact CD2-CG 3.38Å; F875-F1003 HydrophobicContact CE2-CB 3.59Å; F875-F1003 HydrophobicContact CE2-CD2 4.02Å; F875-F1003 AromaticContact CE2-CG 3.88Å; F875-F1003 HydrophobicContact CE2-CG 3.88Å; F875-F1003 HydrophobicContact CG-CB 4.34Å; F875-F1003 HydrophobicContact CG-CD1 4.19Å; F875-F1003 HydrophobicContact CG-CG 4.15Å; F875-F1003 HydrophobicContact CZ-CB 4.36Å; L999-F1003 HydrophobicContact CD1-CD2 3.96Å; L999-F1003 HydrophobicContact CD1-CE2 3.75Å; L999-F1003 HydrophobicContact CG-CD2 4.38Å; L999-F1003 WeakPolarHBondContact O-CD2 3.48Å; L999-F1003 PolarHBondContact O-N 3.32Å; L999-F1003 VanDerWaalsContact O-N 3.1Å; I1000-F1003 PolarHBondContact O-N 2.82Å; S1001-F1003 VanDerWaalsContact C-N 3.35Å; S1001-F1003 PolarHBondContact O-N 2.94Å
1004S77.1Confident79.5Confident53 Ų5374.3 Ų74.337%0.37139%0.391SS..Hα-helixtrans-102.2-29.2-176.3-172.20000113.4I1000 S1001 V1007 I1008I1000-S1004 WeakPolarHBondContact O-CA 3.42Å; I1000-S1004 WeakPolarHBondContact O-CB 3.28Å; I1000-S1004 PolarHBondContact O-N 3.38Å; S1001-S1004 PolarHBondContact O-N 2.81Å; S1004-V1007 PolarHBondContact O-N 2.84Å; S1004-I1008 WeakPolarHBondContact O-CB 3.13Å; S1004-I1008 VanDerWaalsContact O-CG2 3.26Å; S1004-I1008 WeakPolarHBondContact O-CG2 3.3Å; S1004-I1008 PolarHBondContact O-N 2.88Å
1005I79.1Confident79.8Confident104 Ų10474.8 Ų74.853%0.53339%0.39SS..Hα-helixtrans-60.4-46.7179.5-74.8169.2000111.3S1001 V1007 Y1009S1001-I1005 WeakPolarHBondContact O-CB 3.31Å; S1001-I1005 WeakPolarHBondContact O-CG1 3.43Å; S1001-I1005 PolarHBondContact O-N 2.88Å; I1005-V1007 PolarHBondContact O-N 3.4Å; I1005-Y1009 WeakPolarHBondContact O-CB 3.09Å; I1005-Y1009 PolarHBondContact O-N 3.21Å
1006P77.5Confident80.1Confident18 Ų1872.9 Ų72.912%0.11738%0.38CS..Hα-helixtrans-61.3-47178.1-24.435.8000112.2L863 Y864 L1002 Y1009 E1010L863-P1006 HydrophobicContact CD2-CG 3.87Å; L863-P1006 HydrophobicContact CG-CG 4.05Å; Y864-P1006 HydrophobicContact CD1-CB 4.01Å; Y864-P1006 HydrophobicContact CE1-CB 3.89Å; Y864-P1006 HydrophobicContact CE2-CB 4.46Å; Y864-P1006 HydrophobicContact CG-CB 4.36Å; L1002-P1006 WeakPolarHBondContact O-CD 3.45Å; P1006-Y1009 PolarHBondContact O-N 2.95Å; P1006-E1010 WeakPolarHBondContact O-CB 3.22Å; P1006-E1010 PolarHBondContact O-N 3.39Å
1007V75.5Confident80.6Confident29 Ų2974.8 Ų74.818%0.17639%0.391CS..Hα-helixtrans-68.8-40.5-176.9-175.90000112.7W865 S1004 I1005 R1011W865-V1007 HydrophobicContact CB-CG2 4.05Å; W865-V1007 HydrophobicContact CG-CG2 3.76Å; S1004-V1007 PolarHBondContact O-N 2.84Å; I1005-V1007 PolarHBondContact O-N 3.4Å; V1007-R1011 WeakPolarHBondContact O-CB 2.89Å; V1007-R1011 WeakPolarHBondContact O-CG 3.46Å; V1007-R1011 PolarHBondContact O-N 2.6Å; V1007-R1011 VanDerWaalsContact O-N 3.14Å
1008I76.8Confident80.9Confident77 Ų7776.6 Ų76.640%0.39540%0.397SS..Hα-helixtrans-72-34.6177.2-157.273.3000110.7S1004 R1011 H1012 I1016S1004-I1008 WeakPolarHBondContact O-CB 3.13Å; S1004-I1008 VanDerWaalsContact O-CG2 3.26Å; S1004-I1008 WeakPolarHBondContact O-CG2 3.3Å; S1004-I1008 PolarHBondContact O-N 2.88Å; I1008-R1011 PolarHBondContact O-N 3.06Å; I1008-H1012 WeakPolarHBondContact O-CB 3.46Å; I1008-H1012 PolarHBondContact O-N 3.09Å; I1008-I1016 HydrophobicContact CG1-CD1 4.27Å; I1008-I1016 HydrophobicContact CG2-CD1 4.15Å; I1008-I1016 WeakPolarHBondContact O-CD1 3.43Å
1009Y81.3Confident81.1Confident87 Ų8781.9 Ų81.934%0.34141%0.406SS..Hα-helixtrans-63.8-50.5174.1-169.1-105.3000111.2I1005 P1006 R1011 H1012 Q1013 I1016 D1017I1005-Y1009 WeakPolarHBondContact O-CB 3.09Å; I1005-Y1009 PolarHBondContact O-N 3.21Å; P1006-Y1009 PolarHBondContact O-N 2.95Å; Y1009-R1011 VanDerWaalsContact C-N 3.29Å; Y1009-R1011 PolarHBondContact O-N 2.8Å; Y1009-H1012 PolarHBondContact O-N 3.2Å; Y1009-Q1013 HydrophobicContact CE1-CG 3.99Å; Y1009-Q1013 HydrophobicContact CE2-CG 4.2Å; Y1009-Q1013 WeakPolarHBondContact O-CA 3.27Å; Y1009-Q1013 VanDerWaalsContact O-CB 3.3Å; Y1009-Q1013 WeakPolarHBondContact O-CB 3Å; Y1009-Q1013 PolarHBondContact O-N 2.81Å; Y1009-Q1013 PolarHBondContact OH-NE2 3.44Å; Y1009-Q1013 VanDerWaalsContact OH-NE2 3.1Å; Y1009-I1016 HydrophobicContact CD2-CG2 4.09Å; Y1009-I1016 HydrophobicContact CE2-CG2 4.31Å; Y1009-D1017 VanDerWaalsContact CE2-OD1 3.28Å; Y1009-D1017 WeakPolarHBondContact CE2-OD1 3.39Å; Y1009-D1017 PolarHBondContact OH-OD1 3.38Å; Y1009-D1017 PolarHBondContact OH-OD2 3.22Å
1010E81.2Confident81.2Confident130 Ų13084.8 Ų84.861%0.60742%0.422SS*.Hα-helixtrans-58.4-38.8178-171.6176.2178.500112.6P1006P1006-E1010 WeakPolarHBondContact O-CB 3.22Å; P1006-E1010 PolarHBondContact O-N 3.39Å
1011R80.9Confident81.4Confident186 Ų18683.3 Ų83.370%0.70242%0.421SS*.Hα-helixtrans-80.4-29-179.9-70.8176.5-177.5-95.1-3.3114.9V1007 I1008 Y1009V1007-R1011 WeakPolarHBondContact O-CB 2.89Å; V1007-R1011 WeakPolarHBondContact O-CG 3.46Å; V1007-R1011 PolarHBondContact O-N 2.6Å; V1007-R1011 VanDerWaalsContact O-N 3.14Å; I1008-R1011 PolarHBondContact O-N 3.06Å; Y1009-R1011 VanDerWaalsContact C-N 3.29Å; Y1009-R1011 PolarHBondContact O-N 2.8Å
1012H79.6Confident81.8Confident76 Ų7685.2 Ų85.235%0.35243%0.427SS..Hα-helixtrans-125.317.9-171.7-65.4-93.9000113.9I1008 Y1009 A1014 Q1015 I1016I1008-H1012 WeakPolarHBondContact O-CB 3.46Å; I1008-H1012 PolarHBondContact O-N 3.09Å; Y1009-H1012 PolarHBondContact O-N 3.2Å; H1012-A1014 PolarHBondContact O-N 2.8Å; H1012-A1014 VanDerWaalsContact O-N 3.17Å; H1012-Q1015 PolarHBondContact ND1-OE1 2.94Å; H1012-Q1015 WeakPolarHBondContact O-CA 3.28Å; H1012-Q1015 WeakPolarHBondContact O-CB 3.41Å; H1012-Q1015 PolarHBondContact O-N 3.43Å; H1012-I1016 HydrophobicContact CB-CD1 3.75Å; H1012-I1016 HydrophobicContact CB-CG1 4.01Å; H1012-I1016 PolarHBondContact O-N 2.84Å
1013Q80.2Confident82Confident99 Ų9982.8 Ų82.846%0.46342%0.421SS..Hα-helixtrans-41.4-58.4-171.4-175.3169.120.900113.6Y1009 Q1015 I1016 D1017Y1009-Q1013 HydrophobicContact CE1-CG 3.99Å; Y1009-Q1013 HydrophobicContact CE2-CG 4.2Å; Y1009-Q1013 WeakPolarHBondContact O-CA 3.27Å; Y1009-Q1013 VanDerWaalsContact O-CB 3.3Å; Y1009-Q1013 WeakPolarHBondContact O-CB 3Å; Y1009-Q1013 PolarHBondContact O-N 2.81Å; Y1009-Q1013 PolarHBondContact OH-NE2 3.44Å; Y1009-Q1013 VanDerWaalsContact OH-NE2 3.1Å; Q1013-Q1015 VanDerWaalsContact C-N 3.26Å; Q1013-Q1015 PolarHBondContact O-N 3.45Å; Q1013-I1016 PolarHBondContact O-N 2.77Å; Q1013-D1017 WeakPolarHBondContact CG-OD2 3.43Å; Q1013-D1017 VanDerWaalsContact O-CB 3.31Å; Q1013-D1017 WeakPolarHBondContact O-CB 3.25Å; Q1013-D1017 PolarHBondContact O-N 3.43Å
1014A82.3Confident82.4Confident86 Ų8685 Ų8571%0.71143%0.434SS*.Hα-helixtrans-62.4-28.2-177.500000114.3H1012 H1018H1012-A1014 PolarHBondContact O-N 2.8Å; H1012-A1014 VanDerWaalsContact O-N 3.17Å; A1014-H1018 WeakPolarHBondContact O-CB 3.16Å; A1014-H1018 PolarHBondContact O-N 2.95Å
1015Q82Confident83.1Confident117 Ų11789 Ų8955%0.54744%0.444SS..Hα-helixtrans-78.9-47.3175.4-63.6174.7-14.300110.4H1012 Q1013 H1018 Y1019H1012-Q1015 PolarHBondContact ND1-OE1 2.94Å; H1012-Q1015 WeakPolarHBondContact O-CA 3.28Å; H1012-Q1015 WeakPolarHBondContact O-CB 3.41Å; H1012-Q1015 PolarHBondContact O-N 3.43Å; Q1013-Q1015 VanDerWaalsContact C-N 3.26Å; Q1013-Q1015 PolarHBondContact O-N 3.45Å; Q1015-H1018 PolarHBondContact O-N 3.23Å; Q1015-Y1019 WeakPolarHBondContact O-CD2 3.48Å; Q1015-Y1019 PolarHBondContact O-N 2.83Å; Q1015-Y1019 VanDerWaalsContact O-N 3.09Å
1016I81.6Confident83.6Confident51 Ų5187.5 Ų87.526%0.26244%0.444SS..Hα-helixtrans-63.3-46.6179.3-67.8168.7000110.5I1008 Y1009 H1012 Q1013 H1018 Y1019 L1020I1008-I1016 HydrophobicContact CG1-CD1 4.27Å; I1008-I1016 HydrophobicContact CG2-CD1 4.15Å; I1008-I1016 WeakPolarHBondContact O-CD1 3.43Å; Y1009-I1016 HydrophobicContact CD2-CG2 4.09Å; Y1009-I1016 HydrophobicContact CE2-CG2 4.31Å; H1012-I1016 HydrophobicContact CB-CD1 3.75Å; H1012-I1016 HydrophobicContact CB-CG1 4.01Å; H1012-I1016 PolarHBondContact O-N 2.84Å; Q1013-I1016 PolarHBondContact O-N 2.77Å; I1016-H1018 VanDerWaalsContact C-N 3.26Å; I1016-H1018 PolarHBondContact O-N 3.28Å; I1016-Y1019 PolarHBondContact O-N 3.36Å; I1016-L1020 WeakPolarHBondContact O-CB 3.43Å; I1016-L1020 PolarHBondContact O-N 2.86Å
1017D87.5Confident84.2Confident63 Ų6391 Ų9134%0.33747%0.465SS..Hα-helixtrans-62.6-32.3177.8-72.9-24.4000112.1Y1009 Q1013 G1021Y1009-D1017 VanDerWaalsContact CE2-OD1 3.28Å; Y1009-D1017 WeakPolarHBondContact CE2-OD1 3.39Å; Y1009-D1017 PolarHBondContact OH-OD1 3.38Å; Y1009-D1017 PolarHBondContact OH-OD2 3.22Å; Q1013-D1017 WeakPolarHBondContact CG-OD2 3.43Å; Q1013-D1017 VanDerWaalsContact O-CB 3.31Å; Q1013-D1017 WeakPolarHBondContact O-CB 3.25Å; Q1013-D1017 PolarHBondContact O-N 3.43Å; D1017-G1021 WeakPolarHBondContact O-CA 3.36Å; D1017-G1021 PolarHBondContact O-N 3.12Å
1018H86.4Confident84.9Confident124 Ų12496.1 Ų96.157%0.57448%0.484SS*.Hα-helixtrans-67-49.3173178.8-100.3000111.9A1014 Q1015 I1016 G1021 L1022A1014-H1018 WeakPolarHBondContact O-CB 3.16Å; A1014-H1018 PolarHBondContact O-N 2.95Å; Q1015-H1018 PolarHBondContact O-N 3.23Å; I1016-H1018 VanDerWaalsContact C-N 3.26Å; I1016-H1018 PolarHBondContact O-N 3.28Å; H1018-G1021 PolarHBondContact O-N 3.34Å; H1018-L1022 PolarHBondContact O-N 3.41Å
1019Y84.4Confident85.7Confident163 Ų16396.9 Ų96.964%0.63949%0.489SS*.Hα-helixtrans-68.6-40.3177.9-72.9-66.7000112.7Q1015 I1016 G1021 L1022 A1023Q1015-Y1019 WeakPolarHBondContact O-CD2 3.48Å; Q1015-Y1019 PolarHBondContact O-N 2.83Å; Q1015-Y1019 VanDerWaalsContact O-N 3.09Å; I1016-Y1019 PolarHBondContact O-N 3.36Å; Y1019-G1021 VanDerWaalsContact C-N 3.32Å; Y1019-L1022 WeakPolarHBondContact O-CB 3.44Å; Y1019-L1022 PolarHBondContact O-N 2.95Å; Y1019-A1023 WeakPolarHBondContact O-CB 3.22Å; Y1019-A1023 PolarHBondContact O-N 3.22Å
1020L84Confident86.1Confident89 Ų8994.9 Ų94.947%0.46649%0.49SS..Hα-helixtrans-65.9-35.7174.2-178.760.5000111.2I1016 N1024I1016-L1020 WeakPolarHBondContact O-CB 3.43Å; I1016-L1020 PolarHBondContact O-N 2.86Å; L1020-N1024 WeakPolarHBondContact CD1-ND2 3.37Å; L1020-N1024 VanDerWaalsContact O-CB 3.22Å; L1020-N1024 WeakPolarHBondContact O-CB 3.18Å; L1020-N1024 PolarHBondContact O-N 2.78Å; L1020-N1024 PolarHBondContact O-ND2 3.25Å
1021G87.7Confident86.3Confident29 Ų2994.4 Ų94.430%0.29949%0.49SS..Hα-helixtrans-66.7-36.717200000112.9D1017 H1018 Y1019 K1025D1017-G1021 WeakPolarHBondContact O-CA 3.36Å; D1017-G1021 PolarHBondContact O-N 3.12Å; H1018-G1021 PolarHBondContact O-N 3.34Å; Y1019-G1021 VanDerWaalsContact C-N 3.32Å; G1021-K1025 WeakPolarHBondContact O-CD 3.39Å; G1021-K1025 VanDerWaalsContact O-CG 3.28Å; G1021-K1025 WeakPolarHBondContact O-CG 3.37Å; G1021-K1025 PolarHBondContact O-N 3.44Å
1022L89.6Confident86.7Confident90 Ų9088 Ų8847%0.47148%0.477SS..Hα-helixtrans-68.3-49.6172.5-169.669000111.2H1018 Y1019 N1024 K1025 S1026H1018-L1022 PolarHBondContact O-N 3.41Å; Y1019-L1022 WeakPolarHBondContact O-CB 3.44Å; Y1019-L1022 PolarHBondContact O-N 2.95Å; L1022-N1024 VanDerWaalsContact C-N 3.34Å; L1022-N1024 PolarHBondContact O-N 3.46Å; L1022-K1025 WeakPolarHBondContact O-CB 3.47Å; L1022-K1025 PolarHBondContact O-N 3.22Å; L1022-K1025 VanDerWaalsContact O-N 3.09Å; L1022-S1026 PolarHBondContact O-N 3.38Å; L1022-S1026 PolarHBondContact O-OG 3.14Å
1023A87.2Confident87.1Confident48 Ų4891.2 Ų91.240%0.39749%0.49SS..Hα-helixtrans-59.3-42.4176.700000111.9Y1019 K1025 S1026 V1027Y1019-A1023 WeakPolarHBondContact O-CB 3.22Å; Y1019-A1023 PolarHBondContact O-N 3.22Å; A1023-K1025 VanDerWaalsContact C-N 3.31Å; A1023-K1025 PolarHBondContact O-N 3.15Å; A1023-S1026 PolarHBondContact O-N 2.68Å; A1023-V1027 WeakPolarHBondContact O-CB 3.22Å; A1023-V1027 WeakPolarHBondContact O-CG2 3.2Å; A1023-V1027 PolarHBondContact O-N 3.35Å
1024N88.4Confident87.4Confident65 Ų6591.2 Ų91.235%0.34849%0.492SS..Hα-helixtrans-62.7-33.8174.9-92.7-77.4000113.2L1020 L1022 K1028L1020-N1024 WeakPolarHBondContact CD1-ND2 3.37Å; L1020-N1024 VanDerWaalsContact O-CB 3.22Å; L1020-N1024 WeakPolarHBondContact O-CB 3.18Å; L1020-N1024 PolarHBondContact O-N 2.78Å; L1020-N1024 PolarHBondContact O-ND2 3.25Å; L1022-N1024 VanDerWaalsContact C-N 3.34Å; L1022-N1024 PolarHBondContact O-N 3.46Å; N1024-K1028 VanDerWaalsContact O-CB 3.25Å; N1024-K1028 WeakPolarHBondContact O-CB 3.25Å; N1024-K1028 WeakPolarHBondContact O-CD 3.5Å; N1024-K1028 WeakPolarHBondContact O-CG 3.22Å; N1024-K1028 PolarHBondContact O-N 2.9Å
1025K92.6Very high87.3Confident137 Ų13793.2 Ų93.260%0.59649%0.487SS*.Hα-helixtrans-65-50.8172-69.9161.6-173.5172.40109.9G1021 L1022 A1023 V1027 K1028 D1029G1021-K1025 WeakPolarHBondContact O-CD 3.39Å; G1021-K1025 VanDerWaalsContact O-CG 3.28Å; G1021-K1025 WeakPolarHBondContact O-CG 3.37Å; G1021-K1025 PolarHBondContact O-N 3.44Å; L1022-K1025 WeakPolarHBondContact O-CB 3.47Å; L1022-K1025 PolarHBondContact O-N 3.22Å; L1022-K1025 VanDerWaalsContact O-N 3.09Å; A1023-K1025 VanDerWaalsContact C-N 3.31Å; A1023-K1025 PolarHBondContact O-N 3.15Å; K1025-V1027 PolarHBondContact O-N 3.1Å; K1025-K1028 PolarHBondContact O-N 3.03Å; K1025-D1029 WeakPolarHBondContact O-CB 2.96Å; K1025-D1029 PolarHBondContact O-N 3.14Å
1026S89.3Confident87.3Confident74 Ų7491.9 Ų91.952%0.51750%0.496SS..Hα-helixtrans-60.4-40178.3-57.10000113.4L1022 A1023 A1030L1022-S1026 PolarHBondContact O-N 3.38Å; L1022-S1026 PolarHBondContact O-OG 3.14Å; A1023-S1026 PolarHBondContact O-N 2.68Å; S1026-A1030 VanDerWaalsContact O-CB 3.28Å; S1026-A1030 WeakPolarHBondContact O-CB 3.37Å; S1026-A1030 PolarHBondContact O-N 2.81Å
1027V89.5Confident87Confident92 Ų9298 Ų9856%0.55852%0.521SS*.Hα-helixtrans-69.5-39.4176171.10000111.4A1023 K1025 A1030 M1031A1023-V1027 WeakPolarHBondContact O-CB 3.22Å; A1023-V1027 WeakPolarHBondContact O-CG2 3.2Å; A1023-V1027 PolarHBondContact O-N 3.35Å; K1025-V1027 PolarHBondContact O-N 3.1Å; V1027-A1030 PolarHBondContact O-N 3.41Å; V1027-M1031 WeakPolarHBondContact O-CB 3.15Å; V1027-M1031 PolarHBondContact O-N 3.1Å
1028K91.2Very high86.4Confident135 Ų13599.8 Ų99.859%0.58753%0.529SS*.Hα-helixtrans-66.9-39.6174.3-74.8169.6-175.3177.30111.9N1024 K1025 M1031 A1032N1024-K1028 VanDerWaalsContact O-CB 3.25Å; N1024-K1028 WeakPolarHBondContact O-CB 3.25Å; N1024-K1028 WeakPolarHBondContact O-CD 3.5Å; N1024-K1028 WeakPolarHBondContact O-CG 3.22Å; N1024-K1028 PolarHBondContact O-N 2.9Å; K1025-K1028 PolarHBondContact O-N 3.03Å; K1028-M1031 PolarHBondContact O-N 3.02Å; K1028-A1032 VanDerWaalsContact O-CB 3.22Å; K1028-A1032 WeakPolarHBondContact O-CB 3.48Å; K1028-A1032 PolarHBondContact O-N 3.12Å
1029D93.1Very high84.9Confident93 Ų93100 Ų10050%0.49754%0.541SS..Hα-helixtrans-66.6-40.2174.2-75.5-13.1000111.9K1025 K1033K1025-D1029 WeakPolarHBondContact O-CB 2.96Å; K1025-D1029 PolarHBondContact O-N 3.14Å; D1029-K1033 WeakPolarHBondContact O-CB 3.41Å; D1029-K1033 WeakPolarHBondContact O-CD 3.31Å; D1029-K1033 WeakPolarHBondContact O-CG 3.18Å; D1029-K1033 PolarHBondContact O-N 3.02Å
1030A88.8Confident83.9Confident45 Ų4595.5 Ų95.537%0.37255%0.545SS..Hα-helixtrans-64.6-47.6173.700000111.1S1026 V1027 A1032 K1033 I1034S1026-A1030 VanDerWaalsContact O-CB 3.28Å; S1026-A1030 WeakPolarHBondContact O-CB 3.37Å; S1026-A1030 PolarHBondContact O-N 2.81Å; V1027-A1030 PolarHBondContact O-N 3.41Å; A1030-A1032 VanDerWaalsContact C-N 3.34Å; A1030-A1032 PolarHBondContact O-N 3.35Å; A1030-K1033 PolarHBondContact O-N 2.88Å; A1030-I1034 WeakPolarHBondContact O-CB 3.3Å; A1030-I1034 WeakPolarHBondContact O-CD1 3.12Å; A1030-I1034 VanDerWaalsContact O-CG1 3.23Å; A1030-I1034 WeakPolarHBondContact O-CG1 3.16Å; A1030-I1034 PolarHBondContact O-N 3.28Å
1031M85.7Confident82.6Confident120 Ų12097.4 Ų97.459%0.59156%0.555SS**Hα-helixtrans-61.6-39.6176.4-175.6179.3178.100111.8V1027 K1028 I1034 Q1035V1027-M1031 WeakPolarHBondContact O-CB 3.15Å; V1027-M1031 PolarHBondContact O-N 3.1Å; K1028-M1031 PolarHBondContact O-N 3.02Å; M1031-I1034 PolarHBondContact O-N 2.69Å; M1031-Q1035 VanDerWaalsContact O-CB 3.25Å; M1031-Q1035 WeakPolarHBondContact O-CB 3.21Å; M1031-Q1035 PolarHBondContact O-N 3.3Å
1032A89.5Confident80.9Confident53 Ų53105.7 Ų105.744%0.43858%0.582SS.*Hα-helixtrans-66.3-41.8175.100000111.8K1028 A1030 I1034 Q1035 A1036K1028-A1032 VanDerWaalsContact O-CB 3.22Å; K1028-A1032 WeakPolarHBondContact O-CB 3.48Å; K1028-A1032 PolarHBondContact O-N 3.12Å; A1030-A1032 VanDerWaalsContact C-N 3.34Å; A1030-A1032 PolarHBondContact O-N 3.35Å; A1032-I1034 VanDerWaalsContact C-N 3.34Å; A1032-Q1035 PolarHBondContact O-N 3.45Å; A1032-A1036 VanDerWaalsContact O-CB 3.22Å; A1032-A1036 WeakPolarHBondContact O-CB 3.4Å; A1032-A1036 PolarHBondContact O-N 3.36Å
1033K88.5Confident79.2Confident143 Ų143111.9 Ų111.962%0.62260%0.6SS**Hα-helixtrans-64.4-36.4173.6-73.2163.8-174.6168.90112.2D1029 A1030 K1037D1029-K1033 WeakPolarHBondContact O-CB 3.41Å; D1029-K1033 WeakPolarHBondContact O-CD 3.31Å; D1029-K1033 WeakPolarHBondContact O-CG 3.18Å; D1029-K1033 PolarHBondContact O-N 3.02Å; A1030-K1033 PolarHBondContact O-N 2.88Å; K1033-K1037 WeakPolarHBondContact O-CB 3.4Å; K1033-K1037 WeakPolarHBondContact O-CG 3.22Å; K1033-K1037 PolarHBondContact O-N 2.89Å
1034I86Confident77.3Confident99 Ų99119.3 Ų119.351%0.50862%0.623SS.*Hα-helixtrans-69.9-48.4174.5-70.1162.9000110.2A1030 M1031 A1032 A1036 K1037 I1038A1030-I1034 WeakPolarHBondContact O-CB 3.3Å; A1030-I1034 WeakPolarHBondContact O-CD1 3.12Å; A1030-I1034 VanDerWaalsContact O-CG1 3.23Å; A1030-I1034 WeakPolarHBondContact O-CG1 3.16Å; A1030-I1034 PolarHBondContact O-N 3.28Å; M1031-I1034 PolarHBondContact O-N 2.69Å; A1032-I1034 VanDerWaalsContact C-N 3.34Å; I1034-A1036 VanDerWaalsContact C-N 3.34Å; I1034-A1036 PolarHBondContact O-N 3.29Å; I1034-K1037 CarbonylContact O-C 3.47Å; I1034-K1037 WeakPolarHBondContact O-CA 3.36Å; I1034-K1037 WeakPolarHBondContact O-CB 3.49Å; I1034-K1037 PolarHBondContact O-N 3.1Å; I1034-I1038 HydrophobicContact CG2-CD1 3.6Å; I1034-I1038 HydrophobicContact CG2-CG1 4.34Å; I1034-I1038 WeakPolarHBondContact O-CG1 3.39Å; I1034-I1038 PolarHBondContact O-N 2.81Å
1035Q79.9Confident75.3Confident127 Ų127121.1 Ų121.159%0.59365%0.647SS**Hα-helixtrans-63.6-38179.4-170177.621.200112.1M1031 A1032 K1037 I1038M1031-Q1035 VanDerWaalsContact O-CB 3.25Å; M1031-Q1035 WeakPolarHBondContact O-CB 3.21Å; M1031-Q1035 PolarHBondContact O-N 3.3Å; A1032-Q1035 PolarHBondContact O-N 3.45Å; Q1035-K1037 PolarHBondContact O-N 3.28Å; Q1035-I1038 PolarHBondContact O-N 3.43Å
1036A82.1Confident72.6Confident90 Ų90127.4 Ų127.474%0.74468%0.679SS**Hα-helixtrans-66.4-21.117200000113.3A1032 I1034A1032-A1036 VanDerWaalsContact O-CB 3.22Å; A1032-A1036 WeakPolarHBondContact O-CB 3.4Å; A1032-A1036 PolarHBondContact O-N 3.36Å; I1034-A1036 VanDerWaalsContact C-N 3.34Å; I1034-A1036 PolarHBondContact O-N 3.29Å
1037K76.5Confident71.8Confident180 Ų180130.1 Ų130.178%0.78369%0.687SS**Hα-helixtrans-96.3-5.5173.8-76.2-175.5172.4-166.70114.3K1033 I1034 Q1035 P1039K1033-K1037 WeakPolarHBondContact O-CB 3.4Å; K1033-K1037 WeakPolarHBondContact O-CG 3.22Å; K1033-K1037 PolarHBondContact O-N 2.89Å; I1034-K1037 CarbonylContact O-C 3.47Å; I1034-K1037 WeakPolarHBondContact O-CA 3.36Å; I1034-K1037 WeakPolarHBondContact O-CB 3.49Å; I1034-K1037 PolarHBondContact O-N 3.1Å; Q1035-K1037 PolarHBondContact O-N 3.28Å; K1037-P1039 VanDerWaalsContact C-CD 3.42Å; K1037-P1039 WeakPolarHBondContact O-CD 3.41Å
1038I74Confident70.8Confident99 Ų99132.1 Ų132.151%0.50869%0.694SS.*SBendtrans-111.880.6175-59.9173.3000109I1034 Q1035 G1040I1034-I1038 HydrophobicContact CG2-CD1 3.6Å; I1034-I1038 HydrophobicContact CG2-CG1 4.34Å; I1034-I1038 WeakPolarHBondContact O-CG1 3.39Å; I1034-I1038 PolarHBondContact O-N 2.81Å; Q1035-I1038 PolarHBondContact O-N 3.43Å; I1038-G1040 PolarHBondContact O-N 3.12Å
1039P54.4Low69.7Low128 Ų128131.9 Ų131.983%0.83170%0.699SS**THydrogen-bonded Turntrans-71.398.6176.830.1-34.9000110.6K1037K1037-P1039 VanDerWaalsContact C-CD 3.42Å; K1037-P1039 WeakPolarHBondContact O-CD 3.41Å
1040G64.3Low68.3Low69 Ų69134.2 Ų134.271%0.71171%0.711SS**THydrogen-bonded Turntrans165.2-34.8168.800000115.6I1038 K1042I1038-G1040 PolarHBondContact O-N 3.12Å; G1040-K1042 VanDerWaalsContact C-N 3.28Å; G1040-K1042 PolarHBondContact O-N 2.65Å
1041L56Low67.1Low130 Ų130139.8 Ų139.868%0.68173%0.733SS**  trans-84.958.2-166.7-143.277.4000114.5R1043L1041-R1043 PolarHBondContact O-N 2.92Å; L1041-R1043 VanDerWaalsContact O-N 3.14Å
1042K52.9Low65.8Low202 Ų202141.1 Ų141.188%0.87874%0.742SS**  trans-70.399.4157.4-83.3-164.1175.8-173.30108.8G1040 K1044G1040-K1042 VanDerWaalsContact C-N 3.28Å; G1040-K1042 PolarHBondContact O-N 2.65Å; K1042-K1044 PolarHBondContact O-N 2.86Å
1043R53.1Low64.1Low221 Ų221147.4 Ų147.483%0.83476%0.764SS**PPolyproline II helixtrans-58.6124154.5-72.4-172.5174.7117.2-0.9107.2L1041L1041-R1043 PolarHBondContact O-N 2.92Å; L1041-R1043 VanDerWaalsContact O-N 3.14Å
1044K47.8Very low62.3Low203 Ų203147.8 Ų147.888%0.88378%0.775SS**PPolyproline II helixtrans-65.6143.2162.7-73.3-174.4174.4-175.10107.7K1042K1042-K1044 PolarHBondContact O-N 2.86Å
1045A45.6Very low60.3Low104 Ų104151.8 Ų151.886%0.8680%0.797SS**PPolyproline II helixtrans-89.1144.5159.800000108.2
1046E36.8Very low58.5Low269 Ų269154.1 Ų154.1100%1.25782%0.815SS**  trans-135.10158.5-172.4166.217600105.5

Retrieved 1,046 of 1,046 residues in 924.1 ms (Link to these results)