A0A087XF55_POEFO Loading...

Myocardin related transcription factor Ba

AlphaFold DB , UniProt , Accession A0A087XF55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 982 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.3Very low37Very low242 Ų242165.4 Ų165.4100%1.19281%0.813SS**  0140.30-78.6136.867.600108
2E37.9Very low36.9Very low169 Ų169158.9 Ų158.979%0.7981%0.806SS**  trans-70.1-179.6159.9-119.6-141.3104.400109.6W4E2-W4 PolarHBondContact OE1-N 2.91Å
3P57.2Low36.6Very low93 Ų93161.6 Ų161.660%0.60481%0.814SS**  cis-140.4-173.917.522.85.3000117.8
4W31.2Very low36.4Very low217 Ų217155 Ų15582%0.82281%0.806SS**  trans95.594.6138.6-125.3-66000121.4E2E2-W4 PolarHBondContact OE1-N 2.91Å
5A35.9Very low36Very low83 Ų83155.3 Ų155.369%0.68681%0.81SS**  trans-102.2174.2130.800000107.9
6P56.2Low35.9Very low109 Ų109152.6 Ų152.671%0.70881%0.806SS**  cis-142.1-166.48.345.1-27.3000114.5
7R29.8Very low36Very low214 Ų214148.4 Ų148.481%0.80881%0.807SS**  trans-159.8161.3134.8-122.2175.6179.4-92.82.7114.5
8R31.5Very low36Very low226 Ų226149.9 Ų149.985%0.85381%0.813SS**  trans-121.1153.4175.6-54.1171.8-179.2156.6-2.9109.9
9Q31.3Very low36Very low159 Ų159147.9 Ų147.974%0.74381%0.812SS**  trans171.1135.3132.6-91.7154.9-3900108.2
10L33.7Very low36.3Very low161 Ų161146.1 Ų146.184%0.84381%0.809SS**  76.399.850.1-92.8170.9000115.3
11T28.5Very low36.5Very low146 Ų146147.5 Ų147.590%0.89682%0.815SS**  trans-157.2157.7145.227.20000110
12A36.6Very low36.7Very low88 Ų88143.8 Ų143.873%0.72780%0.799SS**  trans-123.2-155.6168.400000108.9
13E33.1Very low37Very low194 Ų194141.9 Ų141.991%0.90780%0.799SS**  trans74.9152.4-166.6-48.8-71.578.600113.5
14G33.3Very low36.2Very low69 Ų69141.9 Ų141.971%0.71180%0.798SS**  cis169.191.8-6.400000114.8
15D30.9Very low36.5Very low160 Ų160135.6 Ų135.686%0.85679%0.788SS**  trans68.4155.9156.5-152.425.9000122.8
16C33.4Very low37.3Very low112 Ų112137.1 Ų137.176%0.75779%0.79SS**  trans37.488.9160.5-85.40000122.7
17G38.2Very low36.9Very low80 Ų80140.4 Ų140.483%0.82580%0.797SS**  72.9104.4107.500000121.4
18I35.1Very low37.7Very low176 Ų176134.2 Ų134.290%0.90379%0.786SS**  trans-136.7155.5152.853.4171.5000110.9
19S36.8Very low38.4Very low113 Ų113129.3 Ų129.379%0.7977%0.773SS**  trans-84.3148.8-166.8-53.70000115.8
20S42.8Very low39.3Very low110 Ų110125.4 Ų125.477%0.76977%0.767SS**  trans50.285.8142.8-54.30000119.9
21L39.6Very low40.2Very low177 Ų177122.8 Ų122.893%0.92776%0.758SS**  trans-146.574.1141.3-81.1-170.9000110.8
22L36.8Very low41.3Very low164 Ų164120 Ų12086%0.85974%0.741SS**  trans-100.5114.6162.4-16479.5000108.2P24L22-P24 WeakPolarHBondContact O-CD 3.38Å
23V43.9Very low41.7Very low129 Ų129121.1 Ų121.178%0.78273%0.731SS**PPolyproline II helixtrans-79.1121.1172.4175.30000108.4
24P41.2Very low42.4Very low92 Ų92118.4 Ų118.460%0.59772%0.718SS**PPolyproline II helixtrans-66.3139177-20.934.1000112L22L22-P24 WeakPolarHBondContact O-CD 3.38Å
25S37.6Very low43.3Very low85 Ų85122.4 Ų122.459%0.59472%0.72SS**PPolyproline II helixtrans-80130.3169-175.80000109.4Q27S25-Q27 PolarHBondContact O-N 3.37Å
26P52.6Low44.2Very low115 Ų115122 Ų12275%0.74771%0.713SS**THydrogen-bonded Turntrans-75.922-164.631.9-38.5000115.3
27Q47.4Very low44.8Very low179 Ų179122 Ų12284%0.83670%0.702SS**THydrogen-bonded Turntrans-136.834.1179.8-65.3-163.2-11.700113.3S25S25-Q27 PolarHBondContact O-N 3.37Å
28S47.3Very low45.3Very low83 Ų83125.3 Ų125.358%0.5870%0.7SS**SBendtrans-136.6-9.7173.5-58.20000116A30S28-A30 VanDerWaalsContact C-N 3.29Å; S28-A30 PolarHBondContact O-N 2.86Å
29E46.3Very low46.2Very low123 Ų123121.6 Ų121.658%0.57569%0.69SS**Hα-helixtrans-66.8-28.3176.4-72175.197.600113.4V31 T32 H33E29-V31 PolarHBondContact O-N 3.37Å; E29-T32 PolarHBondContact O-N 2.65Å; E29-T32 PolarHBondContact O-OG1 3.38Å; E29-H33 PolarHBondContact O-N 2.99Å
30A50.3Low46.9Very low77 Ų77123.5 Ų123.564%0.63669%0.69SS**Hα-helixtrans-67.5-2.7-172.400000115.8S28S28-A30 VanDerWaalsContact C-N 3.29Å; S28-A30 PolarHBondContact O-N 2.86Å
31V52.6Low47Very low107 Ų107125 Ų12565%0.64869%0.685SS**Hα-helixtrans-120.8-19.3-179.8-177.10000112.3E29E29-V31 PolarHBondContact O-N 3.37Å
32T50.7Low47.6Very low87 Ų87121.9 Ų121.953%0.53468%0.675SS.*Hα-helixtrans-89.8-35.5173.849.90000112.3E29 E34 M35 E36E29-T32 PolarHBondContact O-N 2.65Å; E29-T32 PolarHBondContact O-OG1 3.38Å; T32-E34 PolarHBondContact O-N 3.2Å; T32-M35 PolarHBondContact O-N 3.03Å; T32-E36 PolarHBondContact O-N 3.42Å
33H44.6Very low48.3Very low111 Ų111119.7 Ų119.751%0.51467%0.669SS.*Hα-helixtrans-58.5-36.8178.7-150.5-89.9000111.8E29 M35 E36 E37E29-H33 PolarHBondContact O-N 2.99Å; H33-M35 PolarHBondContact O-N 3.07Å; H33-M35 VanDerWaalsContact O-N 3.11Å; H33-E36 PolarHBondContact O-N 3.45Å; H33-E37 IonicContact CE1-OE1 2.74Å; H33-E37 IonicContact CE1-OE2 2.77Å; H33-E37 PolarHBondContact CE1-OE2 3.21Å; H33-E37 VanDerWaalsContact CE1-OE2 3.25Å; H33-E37 IonicContact ND1-OE2 3.45Å; H33-E37 PolarHBondContact ND1-OE2 3.43Å; H33-E37 WeakPolarHBondContact O-CB 3.16Å; H33-E37 PolarHBondContact O-N 2.86Å
34E48.8Very low48.7Very low137 Ų137121.9 Ų121.964%0.6467%0.671SS**Hα-helixtrans-61.3-19.5177.9-50.8-163.7138.600114T32 L38T32-E34 PolarHBondContact O-N 3.2Å; E34-L38 WeakPolarHBondContact O-CD1 3.39Å; E34-L38 WeakPolarHBondContact O-CG 3.43Å
35M52.5Low49.7Very low153 Ų153122.4 Ų122.475%0.75468%0.676SS**Hα-helixtrans-97.6-29.9-177.1-150.9178.4-54.200113.2T32 H33T32-M35 PolarHBondContact O-N 3.03Å; H33-M35 PolarHBondContact O-N 3.07Å; H33-M35 VanDerWaalsContact O-N 3.11Å
36E48.8Very low50.9Low153 Ų153123.7 Ų123.772%0.71568%0.676SS**Hα-helixtrans-96-31.1179.6-67.2-173.9119.100113T32 H33 L38 S39T32-E36 PolarHBondContact O-N 3.42Å; H33-E36 PolarHBondContact O-N 3.45Å; E36-L38 PolarHBondContact O-N 2.9Å; E36-S39 VanDerWaalsContact O-CB 3.3Å; E36-S39 WeakPolarHBondContact O-CB 3.49Å; E36-S39 PolarHBondContact O-N 3.26Å
37E47.7Very low51.6Low112 Ų112121.1 Ų121.152%0.52366%0.659SS.*G310 helixtrans-65.1-24.4177.9-171.2167-15900112.9H33 S39H33-E37 IonicContact CE1-OE1 2.74Å; H33-E37 IonicContact CE1-OE2 2.77Å; H33-E37 PolarHBondContact CE1-OE2 3.21Å; H33-E37 VanDerWaalsContact CE1-OE2 3.25Å; H33-E37 IonicContact ND1-OE2 3.45Å; H33-E37 PolarHBondContact ND1-OE2 3.43Å; H33-E37 WeakPolarHBondContact O-CB 3.16Å; H33-E37 PolarHBondContact O-N 2.86Å; E37-S39 PolarHBondContact O-N 2.96Å
38L47.6Very low53.4Low149 Ų149116.2 Ų116.278%0.7864%0.643SS**G310 helixtrans-67.9-11.8171.7-68.1177.9000114E34 E36E34-L38 WeakPolarHBondContact O-CD1 3.39Å; E34-L38 WeakPolarHBondContact O-CG 3.43Å; E36-L38 PolarHBondContact O-N 2.9Å
39S53.5Low55.4Low97 Ų97117.4 Ų117.468%0.67864%0.642SS**G310 helixtrans-85.4-13.4-177.2-167.60000114.6E36 E37E36-S39 VanDerWaalsContact O-CB 3.3Å; E36-S39 WeakPolarHBondContact O-CB 3.49Å; E36-S39 PolarHBondContact O-N 3.26Å; E37-S39 PolarHBondContact O-N 2.96Å
40L51.4Low57.4Low154 Ų154116.8 Ų116.881%0.80664%0.643SS**SBendtrans-130.917.1-168.3-68.4177000115.7P42L40-P42 WeakPolarHBondContact O-CD 3.49Å
41Q45.1Very low59.4Low142 Ų142117.9 Ų117.966%0.66464%0.635SS**  trans-86.5114.3170.6-85.6-69.5-17.900112.2T43Q41-T43 PolarHBondContact O-N 3.47Å
42P52.3Low61.4Low110 Ų110118.1 Ų118.171%0.71462%0.624SS**  trans-75.683.8-176.9-16.633.5000113.6L40 Q44L40-P42 WeakPolarHBondContact O-CD 3.49Å; P42-Q44 PolarHBondContact O-N 3.04Å
43T51.9Low63.5Low119 Ų119120 Ų12073%0.7363%0.625SS**  trans49.664.8157.554.80000116.9Q41 S45Q41-T43 PolarHBondContact O-N 3.47Å; T43-S45 VanDerWaalsContact C-N 3.28Å; T43-S45 PolarHBondContact O-N 3.13Å
44Q52.8Low65.9Low174 Ų174118.5 Ų118.581%0.81362%0.621SS**SBendtrans-65.588.9160-75.3-103.346.700110.1P42 L46P42-Q44 PolarHBondContact O-N 3.04Å; Q44-L46 PolarHBondContact O-N 2.86Å
45S61.8Low68.1Low103 Ų103116.3 Ų116.372%0.7262%0.616SS**  trans36.562.5166.563.80000116.7T43 P47T43-S45 VanDerWaalsContact C-N 3.28Å; T43-S45 PolarHBondContact O-N 3.13Å; S45-P47 WeakPolarHBondContact O-CD 3.49Å
46L61.7Low70.2Confident113 Ų113113.9 Ų113.959%0.59261%0.606SS**  trans-55.1124.5154.9-79.4174.2000107.9Q44Q44-L46 PolarHBondContact O-N 2.86Å
47P68.6Low72.5Confident60 Ų60112.9 Ų112.939%0.3960%0.601SS.*  trans-55.3144.7-17613.3-25.1000110.9S45 L49 E51 R52S45-P47 WeakPolarHBondContact O-CD 3.49Å; P47-L49 PolarHBondContact O-N 3.02Å; P47-E51 HydrophobicContact CB-CB 4.23Å; P47-E51 WeakPolarHBondContact CB-OE2 3.46Å; P47-R52 HydrophobicContact CB-CG 4.45Å; P47-R52 HydrophobicContact CG-CG 3.92Å; P47-R52 PolarHBondContact O-NE 3.42Å; P47-R52 PolarHBondContact O-NH2 2.94Å
48P85.5Confident74.8Confident76 Ų76111.9 Ų111.949%0.49460%0.599SS.*  trans-39.9140.8-179.5-34.935.6000112.9N50 E51 R52P48-N50 CarbonylContact O-C 3.53Å; P48-N50 PolarHBondContact O-N 3.44Å; P48-E51 HydrophobicContact CB-CG 4.41Å; P48-E51 WeakPolarHBondContact CD-OE1 3.36Å; P48-E51 WeakPolarHBondContact CG-OE1 3.48Å; P48-E51 WeakPolarHBondContact O-CA 3.34Å; P48-E51 WeakPolarHBondContact O-CB 3.3Å; P48-E51 PolarHBondContact O-N 3.27Å; P48-R52 PolarHBondContact O-N 2.91Å; P48-R52 VanDerWaalsContact O-N 3.08Å
49L88.9Confident77.2Confident109 Ų109113.5 Ų113.557%0.57160%0.595SS**Hα-helixtrans-53.6-31.7-175-147.7-178.6000111.4P47 K53P47-L49 PolarHBondContact O-N 3.02Å; L49-K53 HydrophobicContact CD2-CD 3.94Å; L49-K53 HydrophobicContact CD2-CG 4.01Å; L49-K53 WeakPolarHBondContact O-CB 3.46Å; L49-K53 WeakPolarHBondContact O-CG 3.49Å; L49-K53 PolarHBondContact O-N 3.36Å
50N89Confident79.2Confident109 Ų109112.9 Ų112.958%0.58358%0.583SS**Hα-helixtrans-62.6-46.4172.4-161.946.1000113.7P48 K53 N54P48-N50 CarbonylContact O-C 3.53Å; P48-N50 PolarHBondContact O-N 3.44Å; N50-K53 WeakPolarHBondContact O-CB 3.3Å; N50-K53 PolarHBondContact O-N 2.74Å; N50-N54 WeakPolarHBondContact O-CB 3.27Å; N50-N54 PolarHBondContact O-N 3.38Å; N50-N54 PolarHBondContact O-ND2 3.43Å; N50-N54 VanDerWaalsContact O-ND2 3.15Å
51E91.9Very high81.4Confident100 Ų100113.4 Ų113.447%0.46758%0.582SS.*Hα-helixtrans-64.7-42.3176.3-70.9169.3-144.900111.8P47 P48 K53 N54 V55P47-E51 HydrophobicContact CB-CB 4.23Å; P47-E51 WeakPolarHBondContact CB-OE2 3.46Å; P48-E51 HydrophobicContact CB-CG 4.41Å; P48-E51 WeakPolarHBondContact CD-OE1 3.36Å; P48-E51 WeakPolarHBondContact CG-OE1 3.48Å; P48-E51 WeakPolarHBondContact O-CA 3.34Å; P48-E51 WeakPolarHBondContact O-CB 3.3Å; P48-E51 PolarHBondContact O-N 3.27Å; E51-K53 VanDerWaalsContact C-N 3.3Å; E51-K53 PolarHBondContact O-N 3.04Å; E51-N54 PolarHBondContact O-N 3.38Å; E51-N54 VanDerWaalsContact O-N 3.17Å; E51-V55 WeakPolarHBondContact O-CG2 3.38Å; E51-V55 PolarHBondContact O-N 3.32Å
52R94Very high83.8Confident113 Ų113113.1 Ų113.143%0.42658%0.58SS.*Hα-helixtrans-60.9-38.8174.2-74.7-172.7-83158.9-7112P47 P48 L56P47-R52 HydrophobicContact CB-CG 4.45Å; P47-R52 HydrophobicContact CG-CG 3.92Å; P47-R52 PolarHBondContact O-NE 3.42Å; P47-R52 PolarHBondContact O-NH2 2.94Å; P48-R52 PolarHBondContact O-N 2.91Å; P48-R52 VanDerWaalsContact O-N 3.08Å; R52-L56 VanDerWaalsContact O-CB 3.28Å; R52-L56 WeakPolarHBondContact O-CB 3.4Å; R52-L56 PolarHBondContact O-N 2.86Å; R52-L56 VanDerWaalsContact O-N 3.1Å
53K94.6Very high85.9Confident126 Ų126116.5 Ų116.555%0.54858%0.579SS.*Hα-helixtrans-62.8-48.1170.6-78.1171.1171.3176.60112L49 N50 E51 L56 Q57L49-K53 HydrophobicContact CD2-CD 3.94Å; L49-K53 HydrophobicContact CD2-CG 4.01Å; L49-K53 WeakPolarHBondContact O-CB 3.46Å; L49-K53 WeakPolarHBondContact O-CG 3.49Å; L49-K53 PolarHBondContact O-N 3.36Å; N50-K53 WeakPolarHBondContact O-CB 3.3Å; N50-K53 PolarHBondContact O-N 2.74Å; E51-K53 VanDerWaalsContact C-N 3.3Å; E51-K53 PolarHBondContact O-N 3.04Å; K53-L56 PolarHBondContact O-N 2.92Å; K53-Q57 WeakPolarHBondContact O-CB 3.39Å; K53-Q57 PolarHBondContact O-N 3.05Å
54N94.8Very high88.1Confident80 Ų80117.4 Ų117.443%0.42857%0.569SS.*Hα-helixtrans-62.4-45.5-179-70.2-31.6000112.5N50 E51 Q57 L58N50-N54 WeakPolarHBondContact O-CB 3.27Å; N50-N54 PolarHBondContact O-N 3.38Å; N50-N54 PolarHBondContact O-ND2 3.43Å; N50-N54 VanDerWaalsContact O-ND2 3.15Å; E51-N54 PolarHBondContact O-N 3.38Å; E51-N54 VanDerWaalsContact O-N 3.17Å; N54-Q57 PolarHBondContact O-N 3.42Å; N54-L58 WeakPolarHBondContact O-CB 3.24Å; N54-L58 PolarHBondContact O-N 3.14Å
55V96Very high90.2Very high90 Ų90112.1 Ų112.155%0.54555%0.549SS..Hα-helixtrans-63.8-41.7176.5173.10000111E51 R59E51-V55 WeakPolarHBondContact O-CG2 3.38Å; E51-V55 PolarHBondContact O-N 3.32Å; V55-R59 HydrophobicContact CG1-CG 4.46Å; V55-R59 WeakPolarHBondContact O-CB 3.41Å; V55-R59 VanDerWaalsContact O-CG 3.23Å; V55-R59 WeakPolarHBondContact O-CG 3.47Å; V55-R59 PolarHBondContact O-N 3.15Å
56L96.1Very high91.8Very high103 Ų103113.7 Ų113.754%0.53954%0.539SS..Hα-helixtrans-64.3-44.8175.3179.260.2000111.8R52 K53 L58 R59 L60R52-L56 VanDerWaalsContact O-CB 3.28Å; R52-L56 WeakPolarHBondContact O-CB 3.4Å; R52-L56 PolarHBondContact O-N 2.86Å; R52-L56 VanDerWaalsContact O-N 3.1Å; K53-L56 PolarHBondContact O-N 2.92Å; L56-L58 PolarHBondContact O-N 3.33Å; L56-R59 PolarHBondContact O-N 3.24Å; L56-L60 HydrophobicContact CD1-CD1 4.03Å; L56-L60 HydrophobicContact CD1-CG 4.06Å; L56-L60 HydrophobicContact CG-CD1 3.9Å; L56-L60 HydrophobicContact CG-CG 4.36Å; L56-L60 WeakPolarHBondContact O-CB 3.4Å; L56-L60 VanDerWaalsContact O-CG 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.22Å; L56-L60 PolarHBondContact O-N 3.16Å
57Q96.4Very high93.5Very high131 Ų131112.6 Ų112.661%0.61253%0.53SS*.Hα-helixtrans-60.5-44.8177.5-175.9174.6-0.500111.5K53 N54 L60 Q61K53-Q57 WeakPolarHBondContact O-CB 3.39Å; K53-Q57 PolarHBondContact O-N 3.05Å; N54-Q57 PolarHBondContact O-N 3.42Å; Q57-L60 PolarHBondContact O-N 2.85Å; Q57-Q61 WeakPolarHBondContact O-CB 3.41Å; Q57-Q61 PolarHBondContact O-N 3.25Å
58L97.3Very high94.8Very high91 Ų91114 Ų11448%0.47653%0.532SS..Hα-helixtrans-62.9-44.1175.6-175.164.2000111.8N54 L56 L60 Q61 Q62N54-L58 WeakPolarHBondContact O-CB 3.24Å; N54-L58 PolarHBondContact O-N 3.14Å; L56-L58 PolarHBondContact O-N 3.33Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 2.84Å; L58-Q61 PolarHBondContact O-N 2.76Å; L58-Q62 HydrophobicContact CD1-CG 4.49Å; L58-Q62 WeakPolarHBondContact O-CB 3.41Å; L58-Q62 WeakPolarHBondContact O-CG 3.32Å; L58-Q62 PolarHBondContact O-N 2.88Å
59R97.1Very high95.4Very high184 Ų184112.3 Ų112.369%0.69452%0.518SS*.Hα-helixtrans-63.8-36.4175.5-73.5-74.7-173.7146.22.9112.5V55 L56 R63V55-R59 HydrophobicContact CG1-CG 4.46Å; V55-R59 WeakPolarHBondContact O-CB 3.41Å; V55-R59 VanDerWaalsContact O-CG 3.23Å; V55-R59 WeakPolarHBondContact O-CG 3.47Å; V55-R59 PolarHBondContact O-N 3.15Å; L56-R59 PolarHBondContact O-N 3.24Å; R59-R63 PolarHBondContact O-N 3.43Å
60L97.1Very high95.8Very high84 Ų84108.5 Ų108.544%0.4450%0.5SS..Hα-helixtrans-72.5-31.7175.9-73.8172.6000112.6L56 Q57 L58 R63L56-L60 HydrophobicContact CD1-CD1 4.03Å; L56-L60 HydrophobicContact CD1-CG 4.06Å; L56-L60 HydrophobicContact CG-CD1 3.9Å; L56-L60 HydrophobicContact CG-CG 4.36Å; L56-L60 WeakPolarHBondContact O-CB 3.4Å; L56-L60 VanDerWaalsContact O-CG 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.22Å; L56-L60 PolarHBondContact O-N 3.16Å; Q57-L60 PolarHBondContact O-N 2.85Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 2.84Å; L60-R63 VanDerWaalsContact O-CD 3.26Å; L60-R63 WeakPolarHBondContact O-CD 3.12Å; L60-R63 WeakPolarHBondContact O-CG 3.33Å; L60-R63 PolarHBondContact O-NE 3.48Å
61Q96.2Very high96.1Very high164 Ų164109.1 Ų109.177%0.76650%0.503SS*.Hα-helixtrans-75.3-32173.5-168.4175.65000112.3Q57 L58 R63Q57-Q61 WeakPolarHBondContact O-CB 3.41Å; Q57-Q61 PolarHBondContact O-N 3.25Å; L58-Q61 PolarHBondContact O-N 2.76Å; Q61-R63 VanDerWaalsContact C-N 3.34Å
62Q96.8Very high96.4Very high136 Ų136109.4 Ų109.464%0.63650%0.504SS*.SBendtrans-851.3176.1-67.7179.911.300114.3L58L58-Q62 HydrophobicContact CD1-CG 4.49Å; L58-Q62 WeakPolarHBondContact O-CB 3.41Å; L58-Q62 WeakPolarHBondContact O-CG 3.32Å; L58-Q62 PolarHBondContact O-N 2.88Å
63R96.4Very high96.4Very high181 Ų181107.3 Ų107.368%0.68352%0.518SS*.PPolyproline II helixtrans-70.7142.518081-167.4172.5168.4-0.4111R59 L60 Q61R59-R63 PolarHBondContact O-N 3.43Å; L60-R63 VanDerWaalsContact O-CD 3.26Å; L60-R63 WeakPolarHBondContact O-CD 3.12Å; L60-R63 WeakPolarHBondContact O-CG 3.33Å; L60-R63 PolarHBondContact O-NE 3.48Å; Q61-R63 VanDerWaalsContact C-N 3.34Å
64R97.3Very high96.5Very high139 Ų139106 Ų10653%0.52552%0.515SS..PPolyproline II helixtrans-67.8153.9168.4-58.8-169.2-169.499.67.6110Q68 L69R64-Q68 HydrophobicContact CB-CB 4.25Å; R64-L69 HydrophobicContact CB-CD2 4.07Å; R64-L69 HydrophobicContact CB-CG 4.11Å
65T97.1Very high96.5Very high63 Ų63105.8 Ų105.839%0.38751%0.513SS..PPolyproline II helixtrans-69.6163.717487.20000110.4E67 Q68 L69T65-E67 WeakPolarHBondContact CB-OE2 3.37Å; T65-E67 PolarHBondContact O-N 3.25Å; T65-E67 PolarHBondContact OG1-OE2 3.3Å; T65-Q68 HydrophobicContact CG2-CG 4.47Å; T65-Q68 VanDerWaalsContact N-OE1 3.09Å; T65-Q68 PolarHBondContact O-N 2.92Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.48Å; T65-Q68 PolarHBondContact OG1-N 3.08Å; T65-L69 WeakPolarHBondContact O-CG 3.38Å; T65-L69 PolarHBondContact O-N 3.46Å
66R96.1Very high96.3Very high136 Ų136103.2 Ų103.251%0.51350%0.498SS..Hα-helixtrans-68.9-32.1-176.1-163.7-172.5165.8-158.9-10.9111L69 V70 L78R66-L69 PolarHBondContact O-N 2.87Å; R66-V70 PolarHBondContact O-N 3.26Å; R66-V70 VanDerWaalsContact O-N 3.16Å; R66-L78 HydrophobicContact CB-CD2 4.41Å; R66-L78 HydrophobicContact CG-CD2 3.69Å
67E95.9Very high96.2Very high89 Ų89101.3 Ų101.342%0.41649%0.492SS..Hα-helixtrans-64.3-54176.2-52.161.3-126.600109.1T65 L69 V70 D71 L78T65-E67 WeakPolarHBondContact CB-OE2 3.37Å; T65-E67 PolarHBondContact O-N 3.25Å; T65-E67 PolarHBondContact OG1-OE2 3.3Å; E67-L69 PolarHBondContact O-N 2.9Å; E67-V70 CarbonylContact O-C 3.53Å; E67-V70 WeakPolarHBondContact O-CA 3.44Å; E67-V70 WeakPolarHBondContact O-CB 3.47Å; E67-V70 PolarHBondContact O-N 3.23Å; E67-D71 VanDerWaalsContact O-CG 3.23Å; E67-D71 PolarHBondContact O-N 3.5Å; E67-L78 HydrophobicContact CG-CD1 3.8Å; E67-L78 WeakPolarHBondContact OE1-CD1 3.39Å
68Q97.3Very high95.9Very high90 Ų9098.2 Ų98.242%0.42148%0.479SS..Hα-helixtrans-56.1-27.5175.9-70.5174.8-12.900113.6R64 T65 Q72R64-Q68 HydrophobicContact CB-CB 4.25Å; T65-Q68 HydrophobicContact CG2-CG 4.47Å; T65-Q68 VanDerWaalsContact N-OE1 3.09Å; T65-Q68 PolarHBondContact O-N 2.92Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.48Å; T65-Q68 PolarHBondContact OG1-N 3.08Å; Q68-Q72 WeakPolarHBondContact O-CG 3.47Å; Q68-Q72 PolarHBondContact O-N 2.99Å; Q68-Q72 PolarHBondContact O-NE2 3.14Å
69L97.5Very high95.6Very high40 Ų40102.7 Ų102.721%0.20950%0.495CS..Hα-helixtrans-81.5-27.4175-65.5172.8000112.7R64 T65 R66 E67 G73 I74 M75R64-L69 HydrophobicContact CB-CD2 4.07Å; R64-L69 HydrophobicContact CB-CG 4.11Å; T65-L69 WeakPolarHBondContact O-CG 3.38Å; T65-L69 PolarHBondContact O-N 3.46Å; R66-L69 PolarHBondContact O-N 2.87Å; E67-L69 PolarHBondContact O-N 2.9Å; L69-G73 PolarHBondContact O-N 3.38Å; L69-I74 HydrophobicContact CB-CB 4.42Å; L69-I74 HydrophobicContact CD2-CB 4.39Å; L69-I74 HydrophobicContact CD2-CD1 3.81Å; L69-I74 HydrophobicContact CD2-CG2 4.37Å; L69-I74 WeakPolarHBondContact O-CA 3.5Å; L69-I74 WeakPolarHBondContact O-CB 3.47Å; L69-I74 PolarHBondContact O-N 3.29Å; L69-M75 HydrophobicContact CB-CB 4.12Å; L69-M75 HydrophobicContact CB-CG 3.7Å; L69-M75 HydrophobicContact CD1-CG 4.34Å; L69-M75 PolarHBondContact O-N 3.29Å
70V96.5Very high95.3Very high30 Ų3095.1 Ų95.118%0.18247%0.47CS..Hα-helixtrans-70.5-44.8168.6169.60000110.7R66 E67 Q72 G73 M75 P76 P77 L78R66-V70 PolarHBondContact O-N 3.26Å; R66-V70 VanDerWaalsContact O-N 3.16Å; E67-V70 CarbonylContact O-C 3.53Å; E67-V70 WeakPolarHBondContact O-CA 3.44Å; E67-V70 WeakPolarHBondContact O-CB 3.47Å; E67-V70 PolarHBondContact O-N 3.23Å; V70-Q72 PolarHBondContact O-N 3.04Å; V70-G73 WeakPolarHBondContact O-CA 3.31Å; V70-G73 PolarHBondContact O-N 3.27Å; V70-M75 HydrophobicContact CG2-CB 3.82Å; V70-P76 VanDerWaalsContact CG2-O 3.25Å; V70-P76 WeakPolarHBondContact CG2-O 3.35Å; V70-P77 HydrophobicContact CG1-CB 4.33Å; V70-P77 HydrophobicContact CG1-CG 4.48Å; V70-L78 HydrophobicContact CG2-CD2 3.51Å; V70-L78 HydrophobicContact CG2-CG 3.93Å
71D96.5Very high95Very high122 Ų12294.7 Ų94.765%0.65247%0.473SS*.Hα-helixtrans-63-28.9-179.9-53.8-31000112.2E67 G73E67-D71 VanDerWaalsContact O-CG 3.23Å; E67-D71 PolarHBondContact O-N 3.5Å; D71-G73 VanDerWaalsContact C-N 3.33Å
72Q97.3Very high94.8Very high106 Ų10690.8 Ų90.850%0.49547%0.468SS..THydrogen-bonded Turntrans-851.6172.1-78.7168.592.300113.9Q68 V70 I74Q68-Q72 WeakPolarHBondContact O-CG 3.47Å; Q68-Q72 PolarHBondContact O-N 2.99Å; Q68-Q72 PolarHBondContact O-NE2 3.14Å; V70-Q72 PolarHBondContact O-N 3.04Å; Q72-I74 HydrophobicContact CB-CD1 3.81Å; Q72-I74 HydrophobicContact CB-CG1 4.01Å; Q72-I74 PolarHBondContact O-N 2.86Å
73G94.3Very high94.6Very high68 Ų6888.1 Ų88.170%0.70147%0.47SS*.THydrogen-bonded Turntrans68.511.9-177.800000115.2L69 V70 D71L69-G73 PolarHBondContact O-N 3.38Å; V70-G73 WeakPolarHBondContact O-CA 3.31Å; V70-G73 PolarHBondContact O-N 3.27Å; D71-G73 VanDerWaalsContact C-N 3.33Å
74I95.9Very high94.6Very high98 Ų9885.4 Ų85.450%0.50346%0.463SS..SBendtrans-79.8-36.6-179.5-60.1167.1000110.5L69 Q72L69-I74 HydrophobicContact CB-CB 4.42Å; L69-I74 HydrophobicContact CD2-CB 4.39Å; L69-I74 HydrophobicContact CD2-CD1 3.81Å; L69-I74 HydrophobicContact CD2-CG2 4.37Å; L69-I74 WeakPolarHBondContact O-CA 3.5Å; L69-I74 WeakPolarHBondContact O-CB 3.47Å; L69-I74 PolarHBondContact O-N 3.29Å; Q72-I74 HydrophobicContact CB-CD1 3.81Å; Q72-I74 HydrophobicContact CB-CG1 4.01Å; Q72-I74 PolarHBondContact O-N 2.86Å
75M95Very high94.5Very high76 Ų7679.7 Ų79.737%0.37444%0.442SS..SBendtrans-111.4147.2178.4-75.4-65-67.500112L69 V70L69-M75 HydrophobicContact CB-CB 4.12Å; L69-M75 HydrophobicContact CB-CG 3.7Å; L69-M75 HydrophobicContact CD1-CG 4.34Å; L69-M75 PolarHBondContact O-N 3.29Å; V70-M75 HydrophobicContact CG2-CB 3.82Å
76P93.3Very high94.3Very high37 Ų3778.7 Ų78.724%0.2444%0.444CS..  trans-55.8142.2167.2-2837.2000112.8V70 L78 H85V70-P76 VanDerWaalsContact CG2-O 3.25Å; V70-P76 WeakPolarHBondContact CG2-O 3.35Å; P76-L78 PolarHBondContact O-N 3.02Å; P76-H85 HydrophobicContact CB-CB 4.28Å
77P93.8Very high94.4Very high63 Ų6377.7 Ų77.741%0.40945%0.445SS..  trans-51.8133178.4-28.335.8000113.1V70 K79 S80 H85V70-P77 HydrophobicContact CG1-CB 4.33Å; V70-P77 HydrophobicContact CG1-CG 4.48Å; P77-K79 PolarHBondContact O-N 2.81Å; P77-S80 WeakPolarHBondContact O-CB 3.4Å; P77-S80 PolarHBondContact O-N 3.38Å; P77-S80 PolarHBondContact O-OG 3.07Å; P77-H85 VanDerWaalsContact CD-CE1 3.43Å; P77-H85 WeakPolarHBondContact CD-CE1 3.29Å
78L90.4Very high94.4Very high66 Ų6675.6 Ų75.635%0.34644%0.437SS..THydrogen-bonded Turntrans-60.8-32.6-171.4-50.3-172.4000113.3R66 E67 V70 P76 S80R66-L78 HydrophobicContact CB-CD2 4.41Å; R66-L78 HydrophobicContact CG-CD2 3.69Å; E67-L78 HydrophobicContact CG-CD1 3.8Å; E67-L78 WeakPolarHBondContact OE1-CD1 3.39Å; V70-L78 HydrophobicContact CG2-CD2 3.51Å; V70-L78 HydrophobicContact CG2-CG 3.93Å; P76-L78 PolarHBondContact O-N 3.02Å; L78-S80 PolarHBondContact O-N 3.47Å
79K90.5Very high94.3Very high184 Ų18478.1 Ų78.180%0.844%0.442SS*.THydrogen-bonded Turntrans-75.3-6.4177.1-56.5178.2-175.5175.20112.7P77 D847P77-K79 PolarHBondContact O-N 2.81Å; K79-D847 IonicContact NZ-OD1 3.7Å; K79-D847 PolarHBondContact NZ-OD1 3.24Å
80S90.3Very high94.3Very high25 Ų2579.8 Ų79.818%0.17546%0.457CS..SBendtrans-103.1135.2-178.374.10000112.7P77 L78 A82P77-S80 WeakPolarHBondContact O-CB 3.4Å; P77-S80 PolarHBondContact O-N 3.38Å; P77-S80 PolarHBondContact O-OG 3.07Å; L78-S80 PolarHBondContact O-N 3.47Å; S80-A82 PolarHBondContact O-N 2.91Å
81P91.3Very high94.3Very high76 Ų7682.6 Ų82.649%0.49447%0.471SS..  trans-62.7119.6176.1-24.534.6000112.1A83 F84 H85P81-A83 VanDerWaalsContact C-N 3.29Å; P81-A83 PolarHBondContact O-N 3.24Å; P81-F84 HydrophobicContact CB-CD2 4.02Å; P81-F84 PolarHBondContact O-N 2.85Å; P81-H85 PolarHBondContact O-N 3.38Å
82A91.4Very high94.3Very high81 Ų8181.4 Ų81.467%0.66946%0.461SS*.G310 helixtrans-56.4-39.8-17400000113.4S80 F84 H85S80-A82 PolarHBondContact O-N 2.91Å; A82-F84 PolarHBondContact O-N 3.34Å; A82-H85 PolarHBondContact O-N 3.27Å
83A93.7Very high94.4Very high81 Ų8185.3 Ų85.367%0.66947%0.472SS*.G310 helixtrans-62.7-22.4178.300000114.3P81P81-A83 VanDerWaalsContact C-N 3.29Å; P81-A83 PolarHBondContact O-N 3.24Å
84F95.3Very high94.5Very high123 Ų12384 Ų8454%0.53945%0.454SS..G310 helixtrans-1126.5-177.6-58.7-53.7000113.6P81 A82 G86 Q87 I88P81-F84 HydrophobicContact CB-CD2 4.02Å; P81-F84 PolarHBondContact O-N 2.85Å; A82-F84 PolarHBondContact O-N 3.34Å; F84-G86 PolarHBondContact O-N 2.94Å; F84-Q87 VanDerWaalsContact C-OE1 3.29Å; F84-Q87 VanDerWaalsContact CA-OE1 3.28Å; F84-Q87 PolarHBondContact O-N 3.25Å; F84-Q87 VanDerWaalsContact O-N 3.11Å; F84-Q87 PolarHBondContact O-OE1 3.45Å; F84-I88 HydrophobicContact CB-CD1 4.2Å; F84-I88 HydrophobicContact CB-CG1 4.48Å; F84-I88 VanDerWaalsContact O-CG1 3.3Å; F84-I88 WeakPolarHBondContact O-CG1 3.19Å; F84-I88 PolarHBondContact O-N 2.88Å
85H94.8Very high94.7Very high20 Ų2087.5 Ų87.59%0.09346%0.461CS..Hα-helixtrans-63-28.2-175.2-176.662.9000113.6P76 P77 P81 A82 R89P76-H85 HydrophobicContact CB-CB 4.28Å; P77-H85 VanDerWaalsContact CD-CE1 3.43Å; P77-H85 WeakPolarHBondContact CD-CE1 3.29Å; P81-H85 PolarHBondContact O-N 3.38Å; A82-H85 PolarHBondContact O-N 3.27Å; H85-R89 PolarHBondContact CD2-NE 3.37Å; H85-R89 VanDerWaalsContact NE2-CD 3.3Å; H85-R89 WeakPolarHBondContact NE2-CD 3.43Å; H85-R89 VanDerWaalsContact NE2-CZ 3.27Å; H85-R89 PolarHBondContact NE2-NE 2.93Å; H85-R89 PolarHBondContact NE2-NH1 3.06Å; H85-R89 VanDerWaalsContact NE2-NH1 3.11Å; H85-R89 WeakPolarHBondContact O-CB 3.31Å; H85-R89 WeakPolarHBondContact O-CG 3.19Å; H85-R89 PolarHBondContact O-N 3.18Å; H85-R89 VanDerWaalsContact O-N 3.1Å
86G94.4Very high94.8Very high41 Ų4188.1 Ų88.142%0.42347%0.469SS..Hα-helixtrans-65.8-47.1172.200000112.3F84 R89 S90F84-G86 PolarHBondContact O-N 2.94Å; G86-R89 PolarHBondContact O-N 3.21Å; G86-S90 WeakPolarHBondContact O-CB 3.45Å; G86-S90 PolarHBondContact O-N 2.93Å
87Q96.8Very high95.1Very high115 Ų11590.6 Ų90.654%0.53748%0.477SS..Hα-helixtrans-67.4-41.1179.5-62.483.3-19.400111.1F84 S90 L91F84-Q87 VanDerWaalsContact C-OE1 3.29Å; F84-Q87 VanDerWaalsContact CA-OE1 3.28Å; F84-Q87 PolarHBondContact O-N 3.25Å; F84-Q87 VanDerWaalsContact O-N 3.11Å; F84-Q87 PolarHBondContact O-OE1 3.45Å; Q87-S90 PolarHBondContact O-N 3.16Å; Q87-L91 VanDerWaalsContact O-CB 3.28Å; Q87-L91 WeakPolarHBondContact O-CB 3.41Å; Q87-L91 PolarHBondContact O-N 3.4Å
88I95.2Very high95.3Very high46 Ų4692.4 Ų92.424%0.23648%0.483CS..Hα-helixtrans-59.6-53.6174.6-69.4165.5000110F84 S90 L91 E92F84-I88 HydrophobicContact CB-CD1 4.2Å; F84-I88 HydrophobicContact CB-CG1 4.48Å; F84-I88 VanDerWaalsContact O-CG1 3.3Å; F84-I88 WeakPolarHBondContact O-CG1 3.19Å; F84-I88 PolarHBondContact O-N 2.88Å; I88-S90 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 3.29Å; I88-L91 PolarHBondContact O-N 3.45Å; I88-L91 VanDerWaalsContact O-N 3.15Å; I88-E92 HydrophobicContact CG2-CG 4.38Å; I88-E92 VanDerWaalsContact CG2-OE1 3.32Å; I88-E92 WeakPolarHBondContact CG2-OE1 3.41Å; I88-E92 WeakPolarHBondContact O-CB 3.24Å; I88-E92 VanDerWaalsContact O-CG 3.28Å; I88-E92 WeakPolarHBondContact O-CG 3.4Å; I88-E92 PolarHBondContact O-N 3.48Å
89R95.7Very high95.7Very high142 Ų14295.3 Ų95.354%0.53649%0.494SS..Hα-helixtrans-61.6-34.9177.1-71.9-173-60.5-164.99.3113.5H85 G86 E92 R93H85-R89 PolarHBondContact CD2-NE 3.37Å; H85-R89 VanDerWaalsContact NE2-CD 3.3Å; H85-R89 WeakPolarHBondContact NE2-CD 3.43Å; H85-R89 VanDerWaalsContact NE2-CZ 3.27Å; H85-R89 PolarHBondContact NE2-NE 2.93Å; H85-R89 PolarHBondContact NE2-NH1 3.06Å; H85-R89 VanDerWaalsContact NE2-NH1 3.11Å; H85-R89 WeakPolarHBondContact O-CB 3.31Å; H85-R89 WeakPolarHBondContact O-CG 3.19Å; H85-R89 PolarHBondContact O-N 3.18Å; H85-R89 VanDerWaalsContact O-N 3.1Å; G86-R89 PolarHBondContact O-N 3.21Å; R89-E92 WeakPolarHBondContact CA-OE2 3.39Å; R89-R93 VanDerWaalsContact O-CB 3.32Å; R89-R93 WeakPolarHBondContact O-CB 3.47Å; R89-R93 PolarHBondContact O-N 3.16Å
90S97.8Very high96.1Very high76 Ų7691.1 Ų91.153%0.53148%0.479SS..Hα-helixtrans-65.9-43.7175-176.30000111.6G86 Q87 I88 R93 A94G86-S90 WeakPolarHBondContact O-CB 3.45Å; G86-S90 PolarHBondContact O-N 2.93Å; Q87-S90 PolarHBondContact O-N 3.16Å; I88-S90 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 3.29Å; S90-R93 WeakPolarHBondContact O-CB 3.26Å; S90-R93 PolarHBondContact O-N 3.44Å; S90-A94 WeakPolarHBondContact O-CB 3.37Å; S90-A94 PolarHBondContact O-N 2.96Å
91L97.2Very high96.5Very high89 Ų8994.3 Ų94.347%0.46649%0.49SS..Hα-helixtrans-69.5-36.9177.3177.5147.5000112.4Q87 I88 A94 R95Q87-L91 VanDerWaalsContact O-CB 3.28Å; Q87-L91 WeakPolarHBondContact O-CB 3.41Å; Q87-L91 PolarHBondContact O-N 3.4Å; I88-L91 PolarHBondContact O-N 3.45Å; I88-L91 VanDerWaalsContact O-N 3.15Å; L91-A94 PolarHBondContact O-N 2.8Å; L91-R95 HydrophobicContact CD2-CG 4.49Å; L91-R95 WeakPolarHBondContact O-CB 3.32Å; L91-R95 VanDerWaalsContact O-CG 3.29Å; L91-R95 WeakPolarHBondContact O-CG 3.4Å; L91-R95 PolarHBondContact O-N 2.9Å
92E96.4Very high96.8Very high97 Ų9796.7 Ų96.745%0.45349%0.494SS..Hα-helixtrans-64.5-43.3171.5-71.9165165.100111.6I88 R89 T96I88-E92 HydrophobicContact CG2-CG 4.38Å; I88-E92 VanDerWaalsContact CG2-OE1 3.32Å; I88-E92 WeakPolarHBondContact CG2-OE1 3.41Å; I88-E92 WeakPolarHBondContact O-CB 3.24Å; I88-E92 VanDerWaalsContact O-CG 3.28Å; I88-E92 WeakPolarHBondContact O-CG 3.4Å; I88-E92 PolarHBondContact O-N 3.48Å; R89-E92 WeakPolarHBondContact CA-OE2 3.39Å; E92-T96 WeakPolarHBondContact O-CB 3.32Å; E92-T96 PolarHBondContact O-N 3.07Å; E92-T96 PolarHBondContact O-OG1 3.4Å
93R98.3Very high97.1Very high188 Ų18898 Ų9871%0.70949%0.485SS*.Hα-helixtrans-59.6-51.3171.1-178.2-176.4-66.7-169.9-2.4110.9R89 S90 R95 T96 E97R89-R93 VanDerWaalsContact O-CB 3.32Å; R89-R93 WeakPolarHBondContact O-CB 3.47Å; R89-R93 PolarHBondContact O-N 3.16Å; S90-R93 WeakPolarHBondContact O-CB 3.26Å; S90-R93 PolarHBondContact O-N 3.44Å; R93-R95 PolarHBondContact O-N 2.93Å; R93-T96 CarbonylContact O-C 3.44Å; R93-T96 WeakPolarHBondContact O-CB 3.28Å; R93-T96 PolarHBondContact O-N 2.83Å; R93-T96 VanDerWaalsContact O-N 3.12Å; R93-E97 VanDerWaalsContact O-CB 3.29Å; R93-E97 WeakPolarHBondContact O-CB 3.42Å; R93-E97 PolarHBondContact O-N 2.89Å
94A98.1Very high97.3Very high39 Ų3999.6 Ų99.632%0.32248%0.481SS..Hα-helixtrans-63.4-37.1-178.600000112.9S90 L91 N98S90-A94 WeakPolarHBondContact O-CB 3.37Å; S90-A94 PolarHBondContact O-N 2.96Å; L91-A94 PolarHBondContact O-N 2.8Å; A94-N98 VanDerWaalsContact O-CB 3.32Å; A94-N98 WeakPolarHBondContact O-CB 3.4Å; A94-N98 VanDerWaalsContact O-CG 3.28Å; A94-N98 PolarHBondContact O-N 3.43Å; A94-N98 PolarHBondContact O-ND2 3.29Å
95R98.4Very high97.4Very high172 Ų172103.3 Ų103.365%0.64949%0.492SS*.Hα-helixtrans-60.5-48.9170.2-79.6175.6175-179.30.4111.3L91 R93 N98 F99L91-R95 HydrophobicContact CD2-CG 4.49Å; L91-R95 WeakPolarHBondContact O-CB 3.32Å; L91-R95 VanDerWaalsContact O-CG 3.29Å; L91-R95 WeakPolarHBondContact O-CG 3.4Å; L91-R95 PolarHBondContact O-N 2.9Å; R93-R95 PolarHBondContact O-N 2.93Å; R95-N98 PolarHBondContact O-N 2.86Å; R95-F99 VanDerWaalsContact O-CB 3.26Å; R95-F99 WeakPolarHBondContact O-CB 3.45Å; R95-F99 PolarHBondContact O-N 2.57Å
96T98.3Very high97.6Very high90 Ų90105.5 Ų105.555%0.55251%0.509SS*.Hα-helixtrans-63.6-42179.8-540000111.5E92 R93 F99 L100E92-T96 WeakPolarHBondContact O-CB 3.32Å; E92-T96 PolarHBondContact O-N 3.07Å; E92-T96 PolarHBondContact O-OG1 3.4Å; R93-T96 CarbonylContact O-C 3.44Å; R93-T96 WeakPolarHBondContact O-CB 3.28Å; R93-T96 PolarHBondContact O-N 2.83Å; R93-T96 VanDerWaalsContact O-N 3.12Å; T96-F99 PolarHBondContact O-N 3.14Å; T96-L100 VanDerWaalsContact O-CB 3.27Å; T96-L100 WeakPolarHBondContact O-CB 3.3Å; T96-L100 PolarHBondContact O-N 2.83Å
97E98.4Very high97.8Very high88 Ų88113.2 Ų113.241%0.41153%0.525SS..Hα-helixtrans-64.3-46.3177.3-170-168.7137.300111.6R93 L100 K101R93-E97 VanDerWaalsContact O-CB 3.29Å; R93-E97 WeakPolarHBondContact O-CB 3.42Å; R93-E97 PolarHBondContact O-N 2.89Å; E97-L100 PolarHBondContact O-N 2.82Å; E97-K101 HydrophobicContact CG-CD 4.16Å; E97-K101 VanDerWaalsContact O-CB 3.22Å; E97-K101 WeakPolarHBondContact O-CB 3.49Å; E97-K101 VanDerWaalsContact O-CG 3.23Å; E97-K101 WeakPolarHBondContact O-CG 3.26Å; E97-K101 PolarHBondContact O-N 2.89Å; E97-K101 VanDerWaalsContact OE1-CE 3.28Å; E97-K101 WeakPolarHBondContact OE1-CE 3.36Å; E97-K101 IonicContact OE1-NZ 3.28Å; E97-K101 PolarHBondContact OE1-NZ 3.47Å
98N98.3Very high97.8Very high101 Ų101110.6 Ų110.654%0.5452%0.518SS..Hα-helixtrans-66.3-39.8176.7-74.5-29.4000112.3A94 R95 K101 H102A94-N98 VanDerWaalsContact O-CB 3.32Å; A94-N98 WeakPolarHBondContact O-CB 3.4Å; A94-N98 VanDerWaalsContact O-CG 3.28Å; A94-N98 PolarHBondContact O-N 3.43Å; A94-N98 PolarHBondContact O-ND2 3.29Å; R95-N98 PolarHBondContact O-N 2.86Å; N98-K101 PolarHBondContact O-N 2.96Å; N98-H102 PolarHBondContact O-N 3.49Å
99F98.6Very high97.9Very high128 Ų128114.1 Ų114.156%0.56153%0.534SS*.Hα-helixtrans-61.7-43.5173174.7-104.7000112.1R95 T96 H102 K103R95-F99 VanDerWaalsContact O-CB 3.26Å; R95-F99 WeakPolarHBondContact O-CB 3.45Å; R95-F99 PolarHBondContact O-N 2.57Å; T96-F99 PolarHBondContact O-N 3.14Å; F99-H102 PolarHBondContact O-N 2.97Å; F99-K103 HydrophobicContact CD1-CD 4.34Å; F99-K103 HydrophobicContact CE1-CD 3.78Å; F99-K103 HydrophobicContact CE2-CD 4.34Å; F99-K103 HydrophobicContact CZ-CD 3.81Å; F99-K103 PolarHBondContact O-N 2.94Å
100L98.7Very high97.9Very high95 Ų95113 Ų11350%0.49753%0.53SS..Hα-helixtrans-70.9-41177.7-16865.7000111.7T96 E97 H102 K103 I104T96-L100 VanDerWaalsContact O-CB 3.27Å; T96-L100 WeakPolarHBondContact O-CB 3.3Å; T96-L100 PolarHBondContact O-N 2.83Å; E97-L100 PolarHBondContact O-N 2.82Å; L100-H102 PolarHBondContact O-N 3.25Å; L100-K103 PolarHBondContact O-N 2.91Å; L100-I104 HydrophobicContact CD1-CD1 4.43Å; L100-I104 HydrophobicContact CD1-CG1 4.47Å; L100-I104 HydrophobicContact CD2-CD1 4.4Å; L100-I104 HydrophobicContact CG-CD1 3.85Å; L100-I104 HydrophobicContact CG-CG1 4.31Å; L100-I104 WeakPolarHBondContact O-CB 3.46Å; L100-I104 VanDerWaalsContact O-CG1 3.3Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 3.39Å
101K98.5Very high97.8Very high92 Ų92112.1 Ų112.140%0.453%0.527SS..Hα-helixtrans-57.6-31.5170.5-81.3170.5167.4173.20112.6E97 N98 R105E97-K101 HydrophobicContact CG-CD 4.16Å; E97-K101 VanDerWaalsContact O-CB 3.22Å; E97-K101 WeakPolarHBondContact O-CB 3.49Å; E97-K101 VanDerWaalsContact O-CG 3.23Å; E97-K101 WeakPolarHBondContact O-CG 3.26Å; E97-K101 PolarHBondContact O-N 2.89Å; E97-K101 VanDerWaalsContact OE1-CE 3.28Å; E97-K101 WeakPolarHBondContact OE1-CE 3.36Å; E97-K101 IonicContact OE1-NZ 3.28Å; E97-K101 PolarHBondContact OE1-NZ 3.47Å; N98-K101 PolarHBondContact O-N 2.96Å; K101-R105 WeakPolarHBondContact O-CG 3.4Å; K101-R105 PolarHBondContact O-NH1 3.35Å
102H98.3Very high97.8Very high126 Ų126111.5 Ų111.558%0.58352%0.521SS*.Hα-helixtrans-74.1-53.7170.8179.367.6000110.8N98 F99 L100 I104 R105 S106N98-H102 PolarHBondContact O-N 3.49Å; F99-H102 PolarHBondContact O-N 2.97Å; L100-H102 PolarHBondContact O-N 3.25Å; H102-I104 VanDerWaalsContact C-N 3.28Å; H102-I104 PolarHBondContact O-N 2.93Å; H102-R105 PolarHBondContact O-N 3.5Å; H102-S106 PolarHBondContact O-N 3.43Å; H102-S106 PolarHBondContact O-OG 2.98Å
103K98.5Very high97.9Very high110 Ų110109 Ų10948%0.47851%0.511SS..Hα-helixtrans-60.1-29.3-179-80.7-170.5169.4-67.40115.3F99 L100 S106 R107F99-K103 HydrophobicContact CD1-CD 4.34Å; F99-K103 HydrophobicContact CE1-CD 3.78Å; F99-K103 HydrophobicContact CE2-CD 4.34Å; F99-K103 HydrophobicContact CZ-CD 3.81Å; F99-K103 PolarHBondContact O-N 2.94Å; L100-K103 PolarHBondContact O-N 2.91Å; K103-S106 CarbonylContact O-C 3.59Å; K103-R107 PolarHBondContact O-N 3.41Å
104I98.1Very high97.8Very high114 Ų114101 Ų10159%0.58548%0.483SS*.Hα-helixtrans-71.7-38.5175.2-72.2169.3000111L100 H102 R107L100-I104 HydrophobicContact CD1-CD1 4.43Å; L100-I104 HydrophobicContact CD1-CG1 4.47Å; L100-I104 HydrophobicContact CD2-CD1 4.4Å; L100-I104 HydrophobicContact CG-CD1 3.85Å; L100-I104 HydrophobicContact CG-CG1 4.31Å; L100-I104 WeakPolarHBondContact O-CB 3.46Å; L100-I104 VanDerWaalsContact O-CG1 3.3Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 3.39Å; H102-I104 VanDerWaalsContact C-N 3.28Å; H102-I104 PolarHBondContact O-N 2.93Å; I104-R107 VanDerWaalsContact O-CB 3.31Å; I104-R107 WeakPolarHBondContact O-CB 3.35Å
105R97.8Very high97.7Very high201 Ų201107.1 Ų107.176%0.75850%0.498SS*.Hα-helixtrans-72.3-38.3175.5-67.7-177.9-174.4104.2-15.6111.9K101 H102 R107K101-R105 WeakPolarHBondContact O-CG 3.4Å; K101-R105 PolarHBondContact O-NH1 3.35Å; H102-R105 PolarHBondContact O-N 3.5Å; R105-R107 VanDerWaalsContact C-N 3.25Å; R105-R107 PolarHBondContact O-N 2.73Å
106S97.7Very high97.7Very high66 Ų66104.3 Ų104.346%0.46249%0.494SS..THydrogen-bonded Turntrans-90.331.8176.377.70000112.6H102 K103 P108H102-S106 PolarHBondContact O-N 3.43Å; H102-S106 PolarHBondContact O-OG 2.98Å; K103-S106 CarbonylContact O-C 3.59Å; S106-P108 WeakPolarHBondContact O-CD 3.44Å
107R98.1Very high97.5Very high202 Ų202107.6 Ų107.676%0.76250%0.502SS*.PPolyproline II helixtrans-84.2119.5-177-177.1179-179.9-129.6-0.3109.5K103 I104 R105K103-R107 PolarHBondContact O-N 3.41Å; I104-R107 VanDerWaalsContact O-CB 3.31Å; I104-R107 WeakPolarHBondContact O-CB 3.35Å; R105-R107 VanDerWaalsContact C-N 3.25Å; R105-R107 PolarHBondContact O-N 2.73Å
108P97.9Very high97.4Very high60 Ų60108.5 Ų108.539%0.3951%0.509SS..PPolyproline II helixtrans-57.7144.4175-26.636.8000112.3S106 E112 L113S106-P108 WeakPolarHBondContact O-CD 3.44Å; P108-E112 HydrophobicContact CB-CG 4.43Å; P108-L113 HydrophobicContact CB-CD2 3.93Å; P108-L113 HydrophobicContact CB-CG 4.03Å; P108-L113 HydrophobicContact CG-CD2 4.44Å
109E97.4Very high97.3Very high121 Ų121106.9 Ų106.957%0.56550%0.5SS*.PPolyproline II helixtrans-77.4161.4175.7-157.6-97.699.300110.4A111 E112 L113E109-A111 VanDerWaalsContact C-N 3.35Å; E109-A111 PolarHBondContact O-N 2.89Å; E109-A111 PolarHBondContact OE1-N 3.11Å; E109-A111 VanDerWaalsContact OE2-CB 3.24Å; E109-A111 WeakPolarHBondContact OE2-CB 3.31Å; E109-E112 PolarHBondContact O-N 2.84Å; E109-L113 PolarHBondContact O-N 3.22Å
110R95.5Very high97Very high119 Ų119104.1 Ų104.145%0.44949%0.489SS..Hα-helixtrans-62.7-42.8179.9-176.1-178.8-178.5-92.81.1111E112 L113 V114 L119 T122R110-E112 VanDerWaalsContact C-N 3.26Å; R110-E112 PolarHBondContact O-N 2.96Å; R110-L113 PolarHBondContact O-N 3.05Å; R110-V114 HydrophobicContact CG-CG2 4.45Å; R110-V114 WeakPolarHBondContact O-CG2 3.3Å; R110-V114 PolarHBondContact O-N 2.87Å; R110-L119 HydrophobicContact CG-CD1 4.13Å; R110-T122 PolarHBondContact NH2-O 3Å
111A95.9Very high96.6Very high57 Ų57107.3 Ų107.347%0.47150%0.501SS..Hα-helixtrans-60.9-36.1177.300000111.9E109 V114 R115E109-A111 VanDerWaalsContact C-N 3.35Å; E109-A111 PolarHBondContact O-N 2.89Å; E109-A111 PolarHBondContact OE1-N 3.11Å; E109-A111 VanDerWaalsContact OE2-CB 3.24Å; E109-A111 WeakPolarHBondContact OE2-CB 3.31Å; A111-V114 PolarHBondContact O-N 3.38Å; A111-R115 VanDerWaalsContact O-CB 3.31Å; A111-R115 WeakPolarHBondContact O-CB 3.45Å; A111-R115 PolarHBondContact O-N 3.23Å
112E97Very high96Very high75 Ų75103.6 Ų103.635%0.3549%0.486SS..Hα-helixtrans-66.6-45.5174.2174.8159.3-117.200112.5P108 E109 R110 V114 R115 M116P108-E112 HydrophobicContact CB-CG 4.43Å; E109-E112 PolarHBondContact O-N 2.84Å; R110-E112 VanDerWaalsContact C-N 3.26Å; R110-E112 PolarHBondContact O-N 2.96Å; E112-V114 PolarHBondContact O-N 3.19Å; E112-R115 WeakPolarHBondContact O-CB 3.16Å; E112-R115 PolarHBondContact O-N 3.47Å; E112-R115 IonicContact OE1-CZ 2.79Å; E112-R115 IonicContact OE1-NH2 2.81Å; E112-R115 PolarHBondContact OE1-NH2 3.37Å; E112-M116 WeakPolarHBondContact O-CB 3.42Å; E112-M116 WeakPolarHBondContact O-CG 3.41Å; E112-M116 PolarHBondContact O-N 3.25Å
113L97.4Very high95.3Very high45 Ų45101.9 Ų101.924%0.23650%0.502CS..Hα-helixtrans-63.8-30.4175.9-65.8175.6000112.4P108 E109 R110 H117 I118 L119P108-L113 HydrophobicContact CB-CD2 3.93Å; P108-L113 HydrophobicContact CB-CG 4.03Å; P108-L113 HydrophobicContact CG-CD2 4.44Å; E109-L113 PolarHBondContact O-N 3.22Å; R110-L113 PolarHBondContact O-N 3.05Å; L113-H117 PolarHBondContact O-N 3.29Å; L113-I118 HydrophobicContact CB-CB 4.44Å; L113-I118 HydrophobicContact CD2-CB 4.32Å; L113-I118 HydrophobicContact CD2-CD1 3.89Å; L113-I118 HydrophobicContact CD2-CG2 4.22Å; L113-I118 WeakPolarHBondContact O-CA 3.47Å; L113-I118 WeakPolarHBondContact O-CB 3.5Å; L113-I118 PolarHBondContact O-N 2.82Å; L113-L119 HydrophobicContact CB-CB 4.22Å; L113-L119 HydrophobicContact CB-CD1 3.82Å; L113-L119 HydrophobicContact CB-CG 3.88Å; L113-L119 HydrophobicContact CD1-CD1 3.84Å; L113-L119 HydrophobicContact CD1-CG 4.35Å; L113-L119 PolarHBondContact O-N 3.01Å
114V96.2Very high94.8Very high21 Ų2198.1 Ų98.113%0.12749%0.492CS..Hα-helixtrans-71.6-46.7172.3170.30000111.5R110 A111 E112 M116 H117 L119 E121R110-V114 HydrophobicContact CG-CG2 4.45Å; R110-V114 WeakPolarHBondContact O-CG2 3.3Å; R110-V114 PolarHBondContact O-N 2.87Å; A111-V114 PolarHBondContact O-N 3.38Å; E112-V114 PolarHBondContact O-N 3.19Å; V114-M116 PolarHBondContact O-N 3.37Å; V114-H117 WeakPolarHBondContact O-CA 3.46Å; V114-H117 PolarHBondContact O-N 3Å; V114-L119 WeakPolarHBondContact CA-O 3.2Å; V114-L119 HydrophobicContact CG2-CB 3.87Å; V114-E121 HydrophobicContact CG1-CB 3.58Å; V114-E121 HydrophobicContact CG1-CG 4.05Å
115R96.9Very high94.5Very high167 Ų16798.6 Ų98.663%0.6349%0.491SS*.Hα-helixtrans-55.5-37.9173.8-179.7-177.670.2100.7-4112.2A111 E112 H117A111-R115 VanDerWaalsContact O-CB 3.31Å; A111-R115 WeakPolarHBondContact O-CB 3.45Å; A111-R115 PolarHBondContact O-N 3.23Å; E112-R115 WeakPolarHBondContact O-CB 3.16Å; E112-R115 PolarHBondContact O-N 3.47Å; E112-R115 IonicContact OE1-CZ 2.79Å; E112-R115 IonicContact OE1-NH2 2.81Å; E112-R115 PolarHBondContact OE1-NH2 3.37Å; R115-H117 VanDerWaalsContact C-N 3.28Å; R115-H117 PolarHBondContact O-N 2.98Å; R115-H117 PolarHBondContact O-ND1 3.35Å; R115-H117 VanDerWaalsContact O-ND1 3.16Å
116M97.4Very high94.3Very high113 Ų11394 Ų9456%0.55749%0.488SS*.THydrogen-bonded Turntrans-81.63.5175.2-67.5-164.87300114.5E112 V114 I118E112-M116 WeakPolarHBondContact O-CB 3.42Å; E112-M116 WeakPolarHBondContact O-CG 3.41Å; E112-M116 PolarHBondContact O-N 3.25Å; V114-M116 PolarHBondContact O-N 3.37Å; M116-I118 HydrophobicContact CB-CD1 3.81Å; M116-I118 HydrophobicContact CB-CG1 4.02Å; M116-I118 PolarHBondContact O-N 3.28Å; M116-I118 HydrophobicContact SD-CD1 4.34Å
117H95.5Very high94.2Very high159 Ų15994.3 Ų94.374%0.73649%0.49SS*.THydrogen-bonded Turntrans57.225.8-177.9-59.870.3000114.2L113 V114 R115L113-H117 PolarHBondContact O-N 3.29Å; V114-H117 WeakPolarHBondContact O-CA 3.46Å; V114-H117 PolarHBondContact O-N 3Å; R115-H117 VanDerWaalsContact C-N 3.28Å; R115-H117 PolarHBondContact O-N 2.98Å; R115-H117 PolarHBondContact O-ND1 3.35Å; R115-H117 VanDerWaalsContact O-ND1 3.16Å
118I96Very high94.1Very high107 Ų10789.1 Ų89.155%0.54948%0.477SS..SBendtrans-85.6-36.6173.7-61.5167000110L113 M116L113-I118 HydrophobicContact CB-CB 4.44Å; L113-I118 HydrophobicContact CD2-CB 4.32Å; L113-I118 HydrophobicContact CD2-CD1 3.89Å; L113-I118 HydrophobicContact CD2-CG2 4.22Å; L113-I118 WeakPolarHBondContact O-CA 3.47Å; L113-I118 WeakPolarHBondContact O-CB 3.5Å; L113-I118 PolarHBondContact O-N 2.82Å; M116-I118 HydrophobicContact CB-CD1 3.81Å; M116-I118 HydrophobicContact CB-CG1 4.02Å; M116-I118 PolarHBondContact O-N 3.28Å; M116-I118 HydrophobicContact SD-CD1 4.34Å
119L95.1Very high93.9Very high67 Ų6788 Ų8835%0.35147%0.466SS..SBendtrans-113.1154.1167.9-67.6-179.7000109.6R110 L113 V114R110-L119 HydrophobicContact CG-CD1 4.13Å; L113-L119 HydrophobicContact CB-CB 4.22Å; L113-L119 HydrophobicContact CB-CD1 3.82Å; L113-L119 HydrophobicContact CB-CG 3.88Å; L113-L119 HydrophobicContact CD1-CD1 3.84Å; L113-L119 HydrophobicContact CD1-CG 4.35Å; L113-L119 PolarHBondContact O-N 3.01Å; V114-L119 WeakPolarHBondContact CA-O 3.2Å; V114-L119 HydrophobicContact CG2-CB 3.87Å
120Q93.1Very high93.8Very high70 Ų7086 Ų8633%0.32747%0.47SS..  trans-86.5139.2179.9-60.8-63.389.100111.2T122 M133Q120-T122 VanDerWaalsContact C-N 3.31Å; Q120-T122 PolarHBondContact O-N 3.41Å; Q120-M133 HydrophobicContact CB-CG 4.41Å; Q120-M133 HydrophobicContact CB-SD 4.34Å; Q120-M133 HydrophobicContact CG-CG 3.88Å; Q120-M133 HydrophobicContact CG-SD 4.17Å; Q120-M133 PolarHBondContact NE2-SD 3.01Å
121E90.1Very high93.8Very high162 Ų16285 Ų8576%0.75748%0.478SS*.SBendtrans-6988.9170.9-168.4175-141.800109.5V114V114-E121 HydrophobicContact CG1-CB 3.58Å; V114-E121 HydrophobicContact CG1-CG 4.05Å
122T85.4Confident93.8Very high13 Ų1386.2 Ų86.28%0.0847%0.474CS..  trans-154.1130.7-170.5-610000109.4R110 Q120 A124 Q129 M133R110-T122 PolarHBondContact NH2-O 3Å; Q120-T122 VanDerWaalsContact C-N 3.31Å; Q120-T122 PolarHBondContact O-N 3.41Å; T122-A124 HydrophobicContact CG2-CB 3.84Å; T122-Q129 HydrophobicContact CG2-CG 3.94Å; T122-M133 WeakPolarHBondContact OG1-CE 3.15Å
123G84.9Confident93.7Very high90 Ų9083.8 Ų83.893%0.92846%0.462SS*.  trans-85.9-6177.200000114.6
124A87.2Confident93.6Very high31 Ų3189.6 Ų89.626%0.25649%0.486SS..SBendtrans-77.8158.5-179.200000113.4T122 L128 Q129T122-A124 HydrophobicContact CG2-CB 3.84Å; A124-L128 HydrophobicContact CB-CB 4.48Å; A124-Q129 PolarHBondContact O-NE2 2.71Å
125E92.1Very high93.7Very high124 Ų12492.6 Ų92.658%0.57950%0.501SS*.  trans-50.5140.2175.5-167.2-164.6131.200112.2S127 L128 Q129E125-S127 PolarHBondContact O-N 2.75Å; E125-S127 VanDerWaalsContact OE1-CB 3.32Å; E125-S127 WeakPolarHBondContact OE1-CB 3.22Å; E125-S127 PolarHBondContact OE1-OG 3.42Å; E125-L128 HydrophobicContact CB-CG 4.47Å; E125-L128 PolarHBondContact O-N 2.93Å; E125-Q129 PolarHBondContact O-N 2.69Å
126P94Very high93.6Very high105 Ų10590.9 Ų90.968%0.68250%0.498SS*.THydrogen-bonded Turntrans-48.8-33.5178.8-32.437000116.1L128P126-L128 VanDerWaalsContact C-N 3.33Å; P126-L128 PolarHBondContact O-N 2.79Å
127S95.4Very high93.6Very high72 Ų7294.4 Ų94.450%0.50351%0.505SS..THydrogen-bonded Turntrans-64.5-34.217763.10000113.3E125E125-S127 PolarHBondContact O-N 2.75Å; E125-S127 VanDerWaalsContact OE1-CB 3.32Å; E125-S127 WeakPolarHBondContact OE1-CB 3.22Å; E125-S127 PolarHBondContact OE1-OG 3.42Å
128L95.3Very high93.8Very high94 Ų9488.9 Ų88.949%0.49249%0.487SS..THydrogen-bonded Turntrans-88.9-19.1-174.7-59.5-178000113.2A124 E125 P126 A130 T131 Q132A124-L128 HydrophobicContact CB-CB 4.48Å; E125-L128 HydrophobicContact CB-CG 4.47Å; E125-L128 PolarHBondContact O-N 2.93Å; P126-L128 VanDerWaalsContact C-N 3.33Å; P126-L128 PolarHBondContact O-N 2.79Å; L128-A130 VanDerWaalsContact C-N 3.29Å; L128-A130 PolarHBondContact O-N 3.27Å; L128-T131 PolarHBondContact O-N 3.03Å; L128-T131 VanDerWaalsContact O-N 3.14Å; L128-Q132 WeakPolarHBondContact O-CB 3.3Å; L128-Q132 PolarHBondContact O-N 2.91Å
129Q94.7Very high93.9Very high36 Ų3691.7 Ų91.717%0.16849%0.49CS..Hα-helixtrans-57.2-38.8-173.5-72.3173.219.300113T122 A124 E125 M133T122-Q129 HydrophobicContact CG2-CG 3.94Å; A124-Q129 PolarHBondContact O-NE2 2.71Å; E125-Q129 PolarHBondContact O-N 2.69Å; Q129-M133 WeakPolarHBondContact O-CB 3.49Å; Q129-M133 VanDerWaalsContact O-CG 3.31Å; Q129-M133 WeakPolarHBondContact O-CG 3.23Å; Q129-M133 PolarHBondContact O-N 2.98Å
130A94.5Very high94Very high78 Ų7893.4 Ų93.465%0.64550%0.499SS*.Hα-helixtrans-63.8-49176.500000112.2L128 M133 K134L128-A130 VanDerWaalsContact C-N 3.29Å; L128-A130 PolarHBondContact O-N 3.27Å; A130-M133 PolarHBondContact O-N 3.34Å; A130-K134 PolarHBondContact O-N 3.06Å
131T96Very high94.3Very high99 Ų9992.7 Ų92.761%0.60751%0.506SS*.Hα-helixtrans-63.8-42.7177.6-54.10000111.4L128 M133 K134 L135L128-T131 PolarHBondContact O-N 3.03Å; L128-T131 VanDerWaalsContact O-N 3.14Å; T131-M133 VanDerWaalsContact C-N 3.32Å; T131-M133 PolarHBondContact O-N 2.85Å; T131-K134 PolarHBondContact O-N 2.7Å; T131-L135 WeakPolarHBondContact O-CB 3.45Å; T131-L135 PolarHBondContact O-N 3.37Å
132Q95.8Very high94.7Very high82 Ų8290 Ų9038%0.38350%0.496SS..Hα-helixtrans-64.2-35.8176.7-173.41742.800112L128 L135 K136L128-Q132 WeakPolarHBondContact O-CB 3.3Å; L128-Q132 PolarHBondContact O-N 2.91Å; Q132-L135 PolarHBondContact O-N 3.46Å; Q132-K136 VanDerWaalsContact O-CB 3.26Å; Q132-K136 WeakPolarHBondContact O-CB 3.27Å; Q132-K136 PolarHBondContact O-N 3.17Å
133M94.5Very high95.3Very high24 Ų2492.3 Ų92.312%0.11851%0.508CS..Hα-helixtrans-71.5-37.4173.4-73-55.3104.300112.9Q120 T122 Q129 A130 T131 L135 K136 R137Q120-M133 HydrophobicContact CB-CG 4.41Å; Q120-M133 HydrophobicContact CB-SD 4.34Å; Q120-M133 HydrophobicContact CG-CG 3.88Å; Q120-M133 HydrophobicContact CG-SD 4.17Å; Q120-M133 PolarHBondContact NE2-SD 3.01Å; T122-M133 WeakPolarHBondContact OG1-CE 3.15Å; Q129-M133 WeakPolarHBondContact O-CB 3.49Å; Q129-M133 VanDerWaalsContact O-CG 3.31Å; Q129-M133 WeakPolarHBondContact O-CG 3.23Å; Q129-M133 PolarHBondContact O-N 2.98Å; A130-M133 PolarHBondContact O-N 3.34Å; T131-M133 VanDerWaalsContact C-N 3.32Å; T131-M133 PolarHBondContact O-N 2.85Å; M133-L135 VanDerWaalsContact C-N 3.33Å; M133-K136 HydrophobicContact CE-CB 4.42Å; M133-K136 HydrophobicContact CE-CD 3.92Å; M133-K136 PolarHBondContact O-N 3.17Å; M133-K136 HydrophobicContact SD-CD 4.27Å; M133-R137 WeakPolarHBondContact O-CB 2.94Å; M133-R137 WeakPolarHBondContact O-CG 3.28Å; M133-R137 PolarHBondContact O-N 2.86Å
134K96.4Very high95.9Very high167 Ų16792 Ų9273%0.72649%0.485SS*.Hα-helixtrans-60.4-44.8171-170.4175.5-179.21790110.6A130 T131 R137 A138A130-K134 PolarHBondContact O-N 3.06Å; T131-K134 PolarHBondContact O-N 2.7Å; K134-R137 PolarHBondContact O-N 3.44Å; K134-A138 WeakPolarHBondContact O-CB 3.22Å; K134-A138 PolarHBondContact O-N 3.47Å
135L96.7Very high96.4Very high84 Ų8496 Ų9644%0.4450%0.502SS..Hα-helixtrans-67.6-39.8177.6-176.461.5000113.3T131 Q132 M133 R137 A138 R139T131-L135 WeakPolarHBondContact O-CB 3.45Å; T131-L135 PolarHBondContact O-N 3.37Å; Q132-L135 PolarHBondContact O-N 3.46Å; M133-L135 VanDerWaalsContact C-N 3.33Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-A138 PolarHBondContact O-N 2.91Å; L135-R139 HydrophobicContact CD1-CG 4.19Å; L135-R139 WeakPolarHBondContact O-CB 3.32Å; L135-R139 WeakPolarHBondContact O-CG 3.3Å; L135-R139 PolarHBondContact O-N 2.81Å
136K96.4Very high96.7Very high131 Ų13194.9 Ų94.957%0.5750%0.497SS*.Hα-helixtrans-63.9-39175-174177.8-178.9179.90111.1Q132 M133 L140Q132-K136 VanDerWaalsContact O-CB 3.26Å; Q132-K136 WeakPolarHBondContact O-CB 3.27Å; Q132-K136 PolarHBondContact O-N 3.17Å; M133-K136 HydrophobicContact CE-CB 4.42Å; M133-K136 HydrophobicContact CE-CD 3.92Å; M133-K136 PolarHBondContact O-N 3.17Å; M133-K136 HydrophobicContact SD-CD 4.27Å; K136-L140 VanDerWaalsContact O-CB 3.24Å; K136-L140 WeakPolarHBondContact O-CB 3.38Å; K136-L140 PolarHBondContact O-N 3.02Å; K136-L140 VanDerWaalsContact O-N 3.16Å
137R97.6Very high96.9Very high188 Ų18895.8 Ų95.871%0.70949%0.49SS*.Hα-helixtrans-68.8-44.5174.5-74.5177.4177.5-173.5-0.6112.4M133 K134 L135 L140 A141M133-R137 WeakPolarHBondContact O-CB 2.94Å; M133-R137 WeakPolarHBondContact O-CG 3.28Å; M133-R137 PolarHBondContact O-N 2.86Å; K134-R137 PolarHBondContact O-N 3.44Å; L135-R137 VanDerWaalsContact C-N 3.33Å; R137-L140 PolarHBondContact O-N 2.86Å; R137-A141 WeakPolarHBondContact O-CB 3.41Å; R137-A141 PolarHBondContact O-N 3.45Å
138A98.1Very high96.9Very high42 Ų4297.5 Ų97.535%0.34749%0.492SS..Hα-helixtrans-58.1-59.5175.700000111K134 L135 L140 A141 D142K134-A138 WeakPolarHBondContact O-CB 3.22Å; K134-A138 PolarHBondContact O-N 3.47Å; L135-A138 PolarHBondContact O-N 2.91Å; A138-L140 PolarHBondContact O-N 3.18Å; A138-A141 CarbonylContact O-C 3.57Å; A138-A141 WeakPolarHBondContact O-CA 3.45Å; A138-A141 WeakPolarHBondContact O-CB 3.28Å; A138-A141 PolarHBondContact O-N 2.89Å; A138-D142 VanDerWaalsContact C-OD2 3.22Å; A138-D142 PolarHBondContact O-N 2.8Å; A138-D142 VanDerWaalsContact O-OD2 3.06Å
139R98Very high97Very high166 Ų16697.1 Ų97.163%0.62650%0.502SS*.Hα-helixtrans-55.3-33.2179-70.5176.7175.4-177.5-1.9113.9L135 D142 N143L135-R139 HydrophobicContact CD1-CG 4.19Å; L135-R139 WeakPolarHBondContact O-CB 3.32Å; L135-R139 WeakPolarHBondContact O-CG 3.3Å; L135-R139 PolarHBondContact O-N 2.81Å; R139-D142 WeakPolarHBondContact CA-OD2 3.48Å; R139-D142 PolarHBondContact N-OD2 3.04Å; R139-N143 WeakPolarHBondContact O-CB 3.45Å; R139-N143 PolarHBondContact O-N 3.1Å; R139-N143 VanDerWaalsContact O-N 3.14Å
140L98.3Very high97.1Very high103 Ų103102 Ų10254%0.53953%0.526SS..Hα-helixtrans-71.9-43174.7-179.262.2000111.6K136 R137 A138 L144K136-L140 VanDerWaalsContact O-CB 3.24Å; K136-L140 WeakPolarHBondContact O-CB 3.38Å; K136-L140 PolarHBondContact O-N 3.02Å; K136-L140 VanDerWaalsContact O-N 3.16Å; R137-L140 PolarHBondContact O-N 2.86Å; A138-L140 PolarHBondContact O-N 3.18Å; L140-L144 HydrophobicContact CD1-CD1 4.03Å; L140-L144 HydrophobicContact CD1-CG 4.15Å; L140-L144 HydrophobicContact CG-CD1 3.94Å; L140-L144 HydrophobicContact CG-CG 4.45Å; L140-L144 VanDerWaalsContact O-CB 3.29Å; L140-L144 WeakPolarHBondContact O-CB 3.4Å; L140-L144 WeakPolarHBondContact O-CG 3.3Å; L140-L144 PolarHBondContact O-N 3.07Å
141A98.3Very high97.2Very high56 Ų56107.8 Ų107.846%0.46353%0.53SS..Hα-helixtrans-62.3-45.8174.100000111.2R137 A138 N143 L144 N145R137-A141 WeakPolarHBondContact O-CB 3.41Å; R137-A141 PolarHBondContact O-N 3.45Å; A138-A141 CarbonylContact O-C 3.57Å; A138-A141 WeakPolarHBondContact O-CA 3.45Å; A138-A141 WeakPolarHBondContact O-CB 3.28Å; A138-A141 PolarHBondContact O-N 2.89Å; A141-N143 PolarHBondContact O-N 2.71Å; A141-L144 PolarHBondContact O-N 3.47Å; A141-N145 VanDerWaalsContact O-CB 3.28Å; A141-N145 WeakPolarHBondContact O-CB 3.38Å; A141-N145 PolarHBondContact O-N 3.33Å
142D98.3Very high97.2Very high105 Ų105106.2 Ų106.256%0.56152%0.522SS*.Hα-helixtrans-57.8-49.6178.7-53-33.7000111.2A138 R139 N145 E146A138-D142 VanDerWaalsContact C-OD2 3.22Å; A138-D142 PolarHBondContact O-N 2.8Å; A138-D142 VanDerWaalsContact O-OD2 3.06Å; R139-D142 WeakPolarHBondContact CA-OD2 3.48Å; R139-D142 PolarHBondContact N-OD2 3.04Å; D142-N145 PolarHBondContact O-N 2.88Å; D142-E146 PolarHBondContact O-N 3.28Å
143N98.3Very high97.2Very high62 Ų62103.4 Ų103.433%0.33252%0.515SS..Hα-helixtrans-74.4-27.1-179.8-176.3-116.3000113.9R139 A141 E146 K147R139-N143 WeakPolarHBondContact O-CB 3.45Å; R139-N143 PolarHBondContact O-N 3.1Å; R139-N143 VanDerWaalsContact O-N 3.14Å; A141-N143 PolarHBondContact O-N 2.71Å; N143-E146 PolarHBondContact ND2-OE2 3.12Å; N143-E146 VanDerWaalsContact ND2-OE2 3.08Å; N143-K147 WeakPolarHBondContact O-CD 3.46Å; N143-K147 WeakPolarHBondContact O-CG 3.28Å; N143-K147 PolarHBondContact O-N 2.84Å; N143-K147 WeakPolarHBondContact OD1-CE 3.46Å; N143-K147 PolarHBondContact OD1-NZ 3.31Å
144L98.4Very high97.1Very high83 Ų83106.3 Ų106.344%0.43554%0.536SS..Hα-helixtrans-70.6-39.6168.8-74.4172.5000110.9L140 A141 K147 I148L140-L144 HydrophobicContact CD1-CD1 4.03Å; L140-L144 HydrophobicContact CD1-CG 4.15Å; L140-L144 HydrophobicContact CG-CD1 3.94Å; L140-L144 HydrophobicContact CG-CG 4.45Å; L140-L144 VanDerWaalsContact O-CB 3.29Å; L140-L144 WeakPolarHBondContact O-CB 3.4Å; L140-L144 WeakPolarHBondContact O-CG 3.3Å; L140-L144 PolarHBondContact O-N 3.07Å; A141-L144 PolarHBondContact O-N 3.47Å; L144-K147 PolarHBondContact O-N 3.07Å; L144-I148 WeakPolarHBondContact O-CB 3.36Å; L144-I148 WeakPolarHBondContact O-CD1 3.44Å; L144-I148 WeakPolarHBondContact O-CG1 3.14Å; L144-I148 PolarHBondContact O-N 3.39Å
145N98.1Very high96.8Very high114 Ų114102.4 Ų102.461%0.6152%0.521SS*.Hα-helixtrans-63.1-42.8178.2-16863.4000111.5A141 D142 I148 A149A141-N145 VanDerWaalsContact O-CB 3.28Å; A141-N145 WeakPolarHBondContact O-CB 3.38Å; A141-N145 PolarHBondContact O-N 3.33Å; D142-N145 PolarHBondContact O-N 2.88Å; N145-I148 PolarHBondContact O-N 3.43Å; N145-A149 WeakPolarHBondContact O-CB 2.91Å; N145-A149 PolarHBondContact O-N 3.24Å
146E97.5Very high96.6Very high101 Ų101102.8 Ų102.847%0.47252%0.521SS..Hα-helixtrans-55.9-49.8170.5-179.7-176.4-154.800112.1D142 N143 I148 A149 Q150D142-E146 PolarHBondContact O-N 3.28Å; N143-E146 PolarHBondContact ND2-OE2 3.12Å; N143-E146 VanDerWaalsContact ND2-OE2 3.08Å; E146-I148 VanDerWaalsContact C-N 3.3Å; E146-I148 PolarHBondContact O-N 2.91Å; E146-A149 PolarHBondContact O-N 3.25Å; E146-Q150 WeakPolarHBondContact O-CG 3.37Å; E146-Q150 PolarHBondContact O-N 2.61Å
147K97.9Very high96.5Very high124 Ų12499.1 Ų99.154%0.53951%0.507SS..Hα-helixtrans-66.5-27.8179-74.4167.7176162.50113.9N143 L144 R151N143-K147 WeakPolarHBondContact O-CD 3.46Å; N143-K147 WeakPolarHBondContact O-CG 3.28Å; N143-K147 PolarHBondContact O-N 2.84Å; N143-K147 WeakPolarHBondContact OD1-CE 3.46Å; N143-K147 PolarHBondContact OD1-NZ 3.31Å; L144-K147 PolarHBondContact O-N 3.07Å; K147-R151 PolarHBondContact O-N 3.3Å
148I96.7Very high96.2Very high109 Ų10990.5 Ų90.556%0.55948%0.475SS*.Hα-helixtrans-81.3-34.9176.3-69163.3000110.6L144 N145 E146 Q150 R151L144-I148 WeakPolarHBondContact O-CB 3.36Å; L144-I148 WeakPolarHBondContact O-CD1 3.44Å; L144-I148 WeakPolarHBondContact O-CG1 3.14Å; L144-I148 PolarHBondContact O-N 3.39Å; N145-I148 PolarHBondContact O-N 3.43Å; E146-I148 VanDerWaalsContact C-N 3.3Å; E146-I148 PolarHBondContact O-N 2.91Å; I148-Q150 VanDerWaalsContact C-N 3.34Å; I148-R151 WeakPolarHBondContact O-CB 3.19Å; I148-R151 PolarHBondContact O-N 2.97Å
149A97.1Very high95.8Very high85 Ų8592.8 Ų92.870%0.70248%0.479SS*.Hα-helixtrans-67.2-34.5172.500000112.3N145 E146 R151N145-A149 WeakPolarHBondContact O-CB 2.91Å; N145-A149 PolarHBondContact O-N 3.24Å; E146-A149 PolarHBondContact O-N 3.25Å; A149-R151 VanDerWaalsContact C-N 3.3Å; A149-R151 PolarHBondContact O-N 3.28Å
150Q96.3Very high95.5Very high140 Ų14091.1 Ų91.165%0.65448%0.476SS*.THydrogen-bonded Turntrans-89.318.8173.5-61.7177.222.100113.3E146 I148 P152E146-Q150 WeakPolarHBondContact O-CG 3.37Å; E146-Q150 PolarHBondContact O-N 2.61Å; I148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-P152 WeakPolarHBondContact O-CD 3.32Å
151R97.1Very high95Very high198 Ų19891.7 Ų91.775%0.74748%0.48SS*.PPolyproline II helixtrans-69.9121.1-178.2-179.9-178179.1-169.50110.5K147 I148 A149 G153K147-R151 PolarHBondContact O-N 3.3Å; I148-R151 WeakPolarHBondContact O-CB 3.19Å; I148-R151 PolarHBondContact O-N 2.97Å; A149-R151 VanDerWaalsContact C-N 3.3Å; A149-R151 PolarHBondContact O-N 3.28Å; R151-G153 PolarHBondContact O-N 3.32Å
152P96Very high94.7Very high67 Ų6794.5 Ų94.544%0.43549%0.486SS..PPolyproline II helixtrans-56.4136.9179-28.537.1000113.2Q150 E156 L157Q150-P152 WeakPolarHBondContact O-CD 3.32Å; P152-E156 WeakPolarHBondContact CA-OE2 3.48Å; P152-E156 HydrophobicContact CB-CB 4.26Å; P152-E156 WeakPolarHBondContact CB-OE2 3.4Å; P152-L157 HydrophobicContact CB-CD2 4.14Å; P152-L157 HydrophobicContact CB-CG 4.32Å
153G95.4Very high94.4Very high22 Ų2293 Ų9323%0.22748%0.477CS..PPolyproline II helixtrans-65.8159.6174.700000113R151 M155 E156 L157R151-G153 PolarHBondContact O-N 3.32Å; G153-M155 PolarHBondContact O-N 3.48Å; G153-E156 VanDerWaalsContact N-CD 3.32Å; G153-E156 PolarHBondContact N-OE1 3.17Å; G153-E156 WeakPolarHBondContact O-CB 3.26Å; G153-E156 PolarHBondContact O-N 2.78Å; G153-E156 VanDerWaalsContact O-N 3.15Å; G153-L157 PolarHBondContact O-N 3.22Å; G153-L157 VanDerWaalsContact O-N 3.14Å
154P92.9Very high93.8Very high86 Ų8696 Ų9656%0.55850%0.5SS*.Hα-helixtrans-60.8-31.8179.124.7-33.7000112.6L157 V158P154-L157 PolarHBondContact O-N 3.37Å; P154-V158 WeakPolarHBondContact O-CG2 3.47Å; P154-V158 PolarHBondContact O-N 2.77Å; P154-V158 VanDerWaalsContact O-N 3.16Å
155M89.7Confident93.2Very high85 Ų8594.3 Ų94.342%0.41949%0.493SS..Hα-helixtrans-69.8-40.7175.5-62.6-63.192.500112.3G153 L157 V158 E159 I173G153-M155 PolarHBondContact O-N 3.48Å; M155-L157 VanDerWaalsContact C-N 3.26Å; M155-L157 PolarHBondContact O-N 2.95Å; M155-V158 HydrophobicContact CE-CG2 4.28Å; M155-V158 WeakPolarHBondContact O-CA 3.4Å; M155-V158 WeakPolarHBondContact O-CB 3.48Å; M155-V158 PolarHBondContact O-N 3.32Å; M155-E159 PolarHBondContact O-N 3.34Å; M155-I173 HydrophobicContact SD-CD1 4.33Å; M155-I173 HydrophobicContact SD-CG2 3.98Å
156E91.3Very high92.4Very high92 Ų9292.1 Ų92.143%0.4349%0.491SS..Hα-helixtrans-59.2-39.8173.3-62.5166.6-124.700111.2P152 G153 V158 E159 K160P152-E156 WeakPolarHBondContact CA-OE2 3.48Å; P152-E156 HydrophobicContact CB-CB 4.26Å; P152-E156 WeakPolarHBondContact CB-OE2 3.4Å; G153-E156 VanDerWaalsContact N-CD 3.32Å; G153-E156 PolarHBondContact N-OE1 3.17Å; G153-E156 WeakPolarHBondContact O-CB 3.26Å; G153-E156 PolarHBondContact O-N 2.78Å; G153-E156 VanDerWaalsContact O-N 3.15Å; E156-V158 VanDerWaalsContact C-N 3.31Å; E156-V158 PolarHBondContact O-N 3.35Å; E156-E159 WeakPolarHBondContact O-CB 3.29Å; E156-E159 PolarHBondContact O-N 2.95Å; E156-K160 VanDerWaalsContact O-CG 3.3Å; E156-K160 WeakPolarHBondContact O-CG 3.36Å; E156-K160 PolarHBondContact O-N 3.07Å
157L94.6Very high91.4Very high53 Ų5391.3 Ų91.328%0.27750%0.497SS..Hα-helixtrans-68-28.1176.6-63.3174.6000112.9P152 G153 P154 M155 N161 I162 L163P152-L157 HydrophobicContact CB-CD2 4.14Å; P152-L157 HydrophobicContact CB-CG 4.32Å; G153-L157 PolarHBondContact O-N 3.22Å; G153-L157 VanDerWaalsContact O-N 3.14Å; P154-L157 PolarHBondContact O-N 3.37Å; M155-L157 VanDerWaalsContact C-N 3.26Å; M155-L157 PolarHBondContact O-N 2.95Å; L157-N161 PolarHBondContact O-N 3.23Å; L157-I162 HydrophobicContact CB-CB 4.48Å; L157-I162 HydrophobicContact CD2-CD1 3.94Å; L157-I162 WeakPolarHBondContact O-CA 3.21Å; L157-I162 WeakPolarHBondContact O-CB 3.31Å; L157-I162 PolarHBondContact O-N 2.67Å; L157-L163 HydrophobicContact CB-CD1 3.76Å; L157-L163 HydrophobicContact CB-CG 3.84Å; L157-L163 HydrophobicContact CD1-CD1 4.22Å; L157-L163 PolarHBondContact O-N 3.46Å
158V90.9Very high89.9Confident8 Ų889.7 Ų89.75%0.04850%0.501CS..Hα-helixtrans-71.6-43.7170.1170.60000111P154 M155 E156 K160 N161 L163 V165 K170P154-V158 WeakPolarHBondContact O-CG2 3.47Å; P154-V158 PolarHBondContact O-N 2.77Å; P154-V158 VanDerWaalsContact O-N 3.16Å; M155-V158 HydrophobicContact CE-CG2 4.28Å; M155-V158 WeakPolarHBondContact O-CA 3.4Å; M155-V158 WeakPolarHBondContact O-CB 3.48Å; M155-V158 PolarHBondContact O-N 3.32Å; E156-V158 VanDerWaalsContact C-N 3.31Å; E156-V158 PolarHBondContact O-N 3.35Å; V158-K160 VanDerWaalsContact C-N 3.33Å; V158-K160 PolarHBondContact O-N 3.17Å; V158-N161 PolarHBondContact O-N 3.42Å; V158-L163 HydrophobicContact CG2-CB 3.75Å; V158-L163 HydrophobicContact CG2-CD1 4.49Å; V158-V165 HydrophobicContact CB-CG2 4.27Å; V158-V165 HydrophobicContact CG1-CB 3.88Å; V158-V165 HydrophobicContact CG1-CG2 3.62Å; V158-V165 HydrophobicContact CG2-CG2 3.55Å; V158-K170 HydrophobicContact CG1-CG 4.07Å
159E89.9Confident88.6Confident90 Ų9088.8 Ų88.842%0.42150%0.496SS..Hα-helixtrans-60-41.3174-70.4173.7-16400112.1M155 E156 N161 I174M155-E159 PolarHBondContact O-N 3.34Å; E156-E159 WeakPolarHBondContact O-CB 3.29Å; E156-E159 PolarHBondContact O-N 2.95Å; E159-N161 PolarHBondContact O-N 2.83Å; E159-N161 PolarHBondContact O-ND2 3.33Å; E159-I174 HydrophobicContact CG-CD1 4.33Å; E159-I174 HydrophobicContact CG-CG1 4.1Å
160K91.8Very high87.1Confident131 Ų13187.1 Ų87.157%0.5747%0.474SS*.THydrogen-bonded Turntrans-73.51.3175.5-59.3-33174.7-157.40113.5E156 V158 I162E156-K160 VanDerWaalsContact O-CG 3.3Å; E156-K160 WeakPolarHBondContact O-CG 3.36Å; E156-K160 PolarHBondContact O-N 3.07Å; V158-K160 VanDerWaalsContact C-N 3.33Å; V158-K160 PolarHBondContact O-N 3.17Å; K160-I162 HydrophobicContact CB-CD1 3.88Å; K160-I162 HydrophobicContact CB-CG1 4.02Å; K160-I162 PolarHBondContact O-N 3.41Å
161N88Confident85.7Confident115 Ų11586.5 Ų86.562%0.61547%0.47SS*.THydrogen-bonded Turntrans6519.8-178.4-41.9-90.2000114.2L157 V158 E159 K170L157-N161 PolarHBondContact O-N 3.23Å; V158-N161 PolarHBondContact O-N 3.42Å; E159-N161 PolarHBondContact O-N 2.83Å; E159-N161 PolarHBondContact O-ND2 3.33Å; N161-K170 PolarHBondContact OD1-NZ 2.96Å
162I92.7Very high84.2Confident114 Ų11478.4 Ų78.459%0.58545%0.446SS*.SBendtrans-85.2-34.5179.6-59.6171.7000110.3L157 K160L157-I162 HydrophobicContact CB-CB 4.48Å; L157-I162 HydrophobicContact CD2-CD1 3.94Å; L157-I162 WeakPolarHBondContact O-CA 3.21Å; L157-I162 WeakPolarHBondContact O-CB 3.31Å; L157-I162 PolarHBondContact O-N 2.67Å; K160-I162 HydrophobicContact CB-CD1 3.88Å; K160-I162 HydrophobicContact CB-CG1 4.02Å; K160-I162 PolarHBondContact O-N 3.41Å
163L91.4Very high82.8Confident73 Ų7377.1 Ų77.138%0.38244%0.435SS..SBendtrans-104.5127.7171.2-65.9179.4000110.4L157 V158L157-L163 HydrophobicContact CB-CD1 3.76Å; L157-L163 HydrophobicContact CB-CG 3.84Å; L157-L163 HydrophobicContact CD1-CD1 4.22Å; L157-L163 PolarHBondContact O-N 3.46Å; V158-L163 HydrophobicContact CG2-CB 3.75Å; V158-L163 HydrophobicContact CG2-CD1 4.49Å
164P86.4Confident81.5Confident127 Ų12780.6 Ų80.683%0.82545%0.447SS*.  trans-75.6132.4-179.630.2-34000111.6
165V85.2Confident80.4Confident47 Ų4781.5 Ų81.529%0.28545%0.451SS..  trans-138.7143.6172.3172.30000108.1V158 S167 L169 K170V158-V165 HydrophobicContact CB-CG2 4.27Å; V158-V165 HydrophobicContact CG1-CB 3.88Å; V158-V165 HydrophobicContact CG1-CG2 3.62Å; V158-V165 HydrophobicContact CG2-CG2 3.55Å; V165-S167 PolarHBondContact O-N 3.35Å; V165-L169 HydrophobicContact CG1-CB 3.99Å; V165-L169 HydrophobicContact CG1-CD2 4.01Å; V165-L169 HydrophobicContact CG1-CG 4.2Å; V165-K170 HydrophobicContact CB-CB 4.36Å; V165-K170 HydrophobicContact CG1-CB 4.1Å
166A82.3Confident79Confident68 Ų6880.5 Ų80.556%0.56246%0.463SS*.  trans-55.5130.9176.500000110.9S168 L169 K170A166-S168 VanDerWaalsContact C-N 3.29Å; A166-S168 PolarHBondContact O-N 2.85Å; A166-S168 VanDerWaalsContact O-N 3.13Å; A166-L169 PolarHBondContact O-N 2.89Å; A166-K170 PolarHBondContact O-N 3.17Å
167S75.4Confident77.4Confident84 Ų8483.6 Ų83.659%0.58748%0.478SS*.Hα-helixtrans-54.6-40.8-165.4-48.30000114.1V165 L169 K170 E171V165-S167 PolarHBondContact O-N 3.35Å; S167-L169 PolarHBondContact O-N 3.16Å; S167-K170 WeakPolarHBondContact O-CB 3.42Å; S167-K170 PolarHBondContact O-N 2.8Å; S167-E171 WeakPolarHBondContact O-CB 3.34Å; S167-E171 WeakPolarHBondContact O-CG 3.37Å; S167-E171 PolarHBondContact O-N 3.11Å
168S66.8Low75.3Confident90 Ų9083.3 Ų83.363%0.62948%0.478SS*.Hα-helixtrans-63.8-38176.851.40000113.5A166 A172A166-S168 VanDerWaalsContact C-N 3.29Å; A166-S168 PolarHBondContact O-N 2.85Å; A166-S168 VanDerWaalsContact O-N 3.13Å; S168-A172 WeakPolarHBondContact O-CB 3.41Å; S168-A172 PolarHBondContact O-N 3.36Å
169L68.9Low73.4Confident89 Ų8990.1 Ų90.147%0.46651%0.514SS..Hα-helixtrans-73.3-37.5175.2-171.269.6000111V165 A166 S167 A172 I173 V178V165-L169 HydrophobicContact CG1-CB 3.99Å; V165-L169 HydrophobicContact CG1-CD2 4.01Å; V165-L169 HydrophobicContact CG1-CG 4.2Å; A166-L169 PolarHBondContact O-N 2.89Å; S167-L169 PolarHBondContact O-N 3.16Å; L169-A172 PolarHBondContact O-N 3.12Å; L169-I173 HydrophobicContact CD2-CD1 4.38Å; L169-I173 HydrophobicContact CG-CD1 3.92Å; L169-I173 HydrophobicContact CG-CG1 4.44Å; L169-I173 WeakPolarHBondContact O-CB 3.5Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 2.93Å; L169-V178 HydrophobicContact CD1-CG1 4.08Å
170K66.8Low71.1Confident51 Ų5194.3 Ų94.322%0.22253%0.527CS..Hα-helixtrans-61.6-44.9175.6-176-172.4176-158.20111.5V158 N161 V165 A166 S167 I173 I174V158-K170 HydrophobicContact CG1-CG 4.07Å; N161-K170 PolarHBondContact OD1-NZ 2.96Å; V165-K170 HydrophobicContact CB-CB 4.36Å; V165-K170 HydrophobicContact CG1-CB 4.1Å; A166-K170 PolarHBondContact O-N 3.17Å; S167-K170 WeakPolarHBondContact O-CB 3.42Å; S167-K170 PolarHBondContact O-N 2.8Å; K170-I173 PolarHBondContact O-N 3.45Å; K170-I174 HydrophobicContact CG-CD1 3.98Å; K170-I174 WeakPolarHBondContact O-CB 3.32Å; K170-I174 VanDerWaalsContact O-CG1 3.27Å; K170-I174 WeakPolarHBondContact O-CG1 3.43Å; K170-I174 PolarHBondContact O-N 3.46Å
171E67.2Low69Low126 Ų12693.4 Ų93.459%0.58954%0.535SS*.Hα-helixtrans-64.3-44174.3-73.3161.4-165.600111.3S167 I173 I174 V175S167-E171 WeakPolarHBondContact O-CB 3.34Å; S167-E171 WeakPolarHBondContact O-CG 3.37Å; S167-E171 PolarHBondContact O-N 3.11Å; E171-I173 VanDerWaalsContact C-N 3.35Å; E171-I173 PolarHBondContact O-N 2.92Å; E171-I174 PolarHBondContact O-N 3.42Å; E171-V175 WeakPolarHBondContact O-CB 3.38Å; E171-V175 VanDerWaalsContact O-CG2 3.3Å; E171-V175 WeakPolarHBondContact O-CG2 3.29Å; E171-V175 PolarHBondContact O-N 3.49Å
172A64.3Low66.9Low29 Ų2996.5 Ų96.524%0.2454%0.543CS..Hα-helixtrans-63.9-34.3176.100000113.8S168 L169 G176 Q177 V178S168-A172 WeakPolarHBondContact O-CB 3.41Å; S168-A172 PolarHBondContact O-N 3.36Å; L169-A172 PolarHBondContact O-N 3.12Å; A172-G176 PolarHBondContact O-N 3.45Å; A172-Q177 PolarHBondContact O-N 2.64Å; A172-V178 HydrophobicContact CB-CG1 4.16Å
173I67.7Low64.3Low40 Ų4097.2 Ų97.221%0.20555%0.552CS.*Hα-helixtrans-68.5-49.6174.2-72.7165.5000110.4M155 L169 K170 E171 V175 G176 V178M155-I173 HydrophobicContact SD-CD1 4.33Å; M155-I173 HydrophobicContact SD-CG2 3.98Å; L169-I173 HydrophobicContact CD2-CD1 4.38Å; L169-I173 HydrophobicContact CG-CD1 3.92Å; L169-I173 HydrophobicContact CG-CG1 4.44Å; L169-I173 WeakPolarHBondContact O-CB 3.5Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 2.93Å; K170-I173 PolarHBondContact O-N 3.45Å; E171-I173 VanDerWaalsContact C-N 3.35Å; E171-I173 PolarHBondContact O-N 2.92Å; I173-V175 VanDerWaalsContact C-N 3.3Å; I173-V175 PolarHBondContact O-N 3.13Å; I173-G176 PolarHBondContact O-N 2.91Å; I173-V178 HydrophobicContact CG1-CG1 3.94Å; I173-V178 HydrophobicContact CG1-CG2 4.29Å
174I67.6Low62Low94 Ų94100.9 Ų100.948%0.48257%0.571SS.*Hα-helixtrans-65-33.7-178.3-68.9169000112E159 K170 E171 G176E159-I174 HydrophobicContact CG-CD1 4.33Å; E159-I174 HydrophobicContact CG-CG1 4.1Å; K170-I174 HydrophobicContact CG-CD1 3.98Å; K170-I174 WeakPolarHBondContact O-CB 3.32Å; K170-I174 VanDerWaalsContact O-CG1 3.27Å; K170-I174 WeakPolarHBondContact O-CG1 3.43Å; K170-I174 PolarHBondContact O-N 3.46Å; E171-I174 PolarHBondContact O-N 3.42Å; I174-G176 VanDerWaalsContact C-N 3.28Å
175V68.6Low60.2Low105 Ų105101.9 Ų101.964%0.63657%0.565SS**THydrogen-bonded Turntrans-84.5-1.5176.7178.20000112.2E171 I173 Q177E171-V175 WeakPolarHBondContact O-CB 3.38Å; E171-V175 VanDerWaalsContact O-CG2 3.3Å; E171-V175 WeakPolarHBondContact O-CG2 3.29Å; E171-V175 PolarHBondContact O-N 3.49Å; I173-V175 VanDerWaalsContact C-N 3.3Å; I173-V175 PolarHBondContact O-N 3.13Å; V175-Q177 VanDerWaalsContact C-N 3.28Å; V175-Q177 PolarHBondContact O-N 2.77Å
176G61.2Low58.3Low65 Ų65108.2 Ų108.267%0.6759%0.592SS**THydrogen-bonded Turntrans68.822.4178.200000114.4A172 I173 I174A172-G176 PolarHBondContact O-N 3.45Å; I173-G176 PolarHBondContact O-N 2.91Å; I174-G176 VanDerWaalsContact C-N 3.28Å
177Q58.1Low56.6Low157 Ų157113.1 Ų113.173%0.73461%0.608SS**  trans-98.811.1-172.3-130179.863.600114.2A172 V175 N179A172-Q177 PolarHBondContact O-N 2.64Å; V175-Q177 VanDerWaalsContact C-N 3.28Å; V175-Q177 PolarHBondContact O-N 2.77Å; Q177-N179 PolarHBondContact O-N 2.86Å
178V50.3Low54.8Low46 Ų46112.1 Ų112.128%0.27961%0.611SS.*  trans-77.8100.7174.2-840000111.8L169 A172 I173 Y180L169-V178 HydrophobicContact CD1-CG1 4.08Å; A172-V178 HydrophobicContact CB-CG1 4.16Å; I173-V178 HydrophobicContact CG1-CG1 3.94Å; I173-V178 HydrophobicContact CG1-CG2 4.29Å; V178-Y180 HydrophobicContact CB-CE2 4.38Å; V178-Y180 HydrophobicContact CG2-CE2 3.95Å; V178-Y180 WeakPolarHBondContact O-CD2 3.14Å; V178-Y180 PolarHBondContact O-N 3.29Å
179N51.9Low54Low151 Ų151114.2 Ų114.281%0.80762%0.624SS**  trans-70.7105170-177.6-4.5000110.2Q177Q177-N179 PolarHBondContact O-N 2.86Å
180Y40.9Very low52.6Low178 Ų178119.7 Ų119.770%0.69864%0.64SS**  trans-75.4125.9171-72.3-92.8000109.8V178 K182V178-Y180 HydrophobicContact CB-CE2 4.38Å; V178-Y180 HydrophobicContact CG2-CE2 3.95Å; V178-Y180 WeakPolarHBondContact O-CD2 3.14Å; V178-Y180 PolarHBondContact O-N 3.29Å; Y180-K182 PolarHBondContact O-N 3.2Å
181P48.2Very low51.9Low113 Ų113125.2 Ų125.273%0.73467%0.672SS**  trans-62.6112175.126.2-32.9000109.3V183P181-V183 PolarHBondContact O-N 2.93Å
182K42.4Very low50.6Low180 Ų180122.3 Ų122.378%0.78367%0.669SS**  trans-60.5105.2175.3-175.1-175.3178.6-169.70108.3Y180 L184Y180-K182 PolarHBondContact O-N 3.2Å; K182-L184 PolarHBondContact O-N 2.93Å
183V39.4Very low49.2Very low129 Ų129127.4 Ų127.478%0.78270%0.697SS**PPolyproline II helixtrans-61.8135.5174.1-1770000108.2P181P181-V183 PolarHBondContact O-N 2.93Å
184L42.5Very low47.8Very low150 Ų150130.9 Ų130.979%0.78573%0.725SS**PPolyproline II helixtrans-63.7144.4-175.6-173.164.1000110.9K182K182-L184 PolarHBondContact O-N 2.93Å
185E48Very low46.8Very low148 Ų148132.8 Ų132.869%0.69274%0.744SS**PPolyproline II helixtrans-73.8132.9170-68.2169.115100109.8
186E46.5Very low45.2Very low180 Ų180136.5 Ų136.584%0.84175%0.754SS**  trans-128.3116.4152.6-71.2-158.8157.500108.6G188E186-G188 PolarHBondContact O-N 3.47Å
187D46.1Very low43.8Very low171 Ų171141.4 Ų141.491%0.91476%0.76SS**  trans-69.3116.5178.3-73.7-68.7000111
188G38.3Very low42.8Very low63 Ų63140.3 Ų140.365%0.64977%0.766SS**  trans-153.533.8-165.700000116.6E186E186-G188 PolarHBondContact O-N 3.47Å
189C49.4Very low41.9Very low134 Ų134142.1 Ų142.191%0.90579%0.786SS**  trans24.794.5164.6-167.60000117.6
190Y39.2Very low41.2Very low204 Ų204140.8 Ų140.880%0.879%0.789SS**  trans-134120.415664.7-86.3000111.2A192Y190-A192 HydrophobicContact CD2-CB 4.37Å
191D52.8Low41Very low167 Ų167139.7 Ų139.789%0.89379%0.79SS**  trans-94.4100.2170174.225.3000108.3
192A39Very low40.3Very low64 Ų64143.5 Ų143.553%0.52980%0.798SS.*  trans-156.296.7-177.900000113.5Y190Y190-A192 HydrophobicContact CD2-CB 4.37Å
193V35.7Very low40.3Very low136 Ų136139.5 Ų139.582%0.82479%0.793SS**  trans41.4117.8148-65.40000120.3
194S38.4Very low40.7Very low113 Ų113140.4 Ų140.479%0.7979%0.788SS**PPolyproline II helixtrans-59.2139.2164.4-56.30000112.6E196S194-E196 PolarHBondContact O-N 3.44Å
195P46.6Very low40.1Very low135 Ų135136.4 Ų136.488%0.87778%0.784SS**PPolyproline II helixtrans-62.5125.5170.3-23.734.9000112.3
196E33.5Very low39.5Very low182 Ų182134.5 Ų134.585%0.8579%0.786SS**PPolyproline II helixtrans-76.8140.2-173.1-150.3176.194.100112.4S194S194-E196 PolarHBondContact O-N 3.44Å
197Q32.5Very low39Very low168 Ų168130.7 Ų130.779%0.78579%0.786SS**PPolyproline II helixtrans-75.8136.9161.2-71.2-173.1-12.200109A199Q197-A199 PolarHBondContact O-N 3.12Å
198P38.3Very low38.5Very low135 Ų135128.5 Ų128.588%0.87778%0.781SS**  trans-73.675.417730.9-35.2000111.4
199A30.7Very low38.1Very low84 Ų84130.9 Ų130.969%0.69479%0.788SS**  trans-77145.7174.500000111.4Q197Q197-A199 PolarHBondContact O-N 3.12Å
200S36.6Very low38.2Very low123 Ų123129.8 Ų129.886%0.8678%0.779SS**  trans-66.3136.4176.4-60.10000111.5
201Q36.6Very low37.8Very low154 Ų154123.2 Ų123.272%0.7277%0.774SS**  trans-121102.7160.1-75.9-157.523.700112.5
202E34.6Very low37Very low194 Ų194124.8 Ų124.891%0.90778%0.775SS**  trans-68.4151.4137.8-168.8171.789.800108.4
203S42.7Very low36.5Very low96 Ų96127.8 Ų127.867%0.67179%0.793SS**  trans-150.7137.2-162.1167.10000110.4
204Q47.6Very low36.3Very low147 Ų147131.9 Ų131.969%0.68779%0.793SS**  cis-155.9170.31.9-114.2-71.1-17.300110.3
205G28.1Very low36Very low67 Ų67132.7 Ų132.769%0.69179%0.793SS**  trans-146.3-4-168.900000119.8
206S36.5Very low35.6Very low107 Ų107131.5 Ų131.575%0.74879%0.785SS**  trans64.8110.9167.2-580000121.2
207A36.5Very low35.2Very low101 Ų101131.1 Ų131.184%0.83578%0.784SS**  29.9153.1121.200000122.3
208P35.6Very low35Very low124 Ų124128.8 Ų128.881%0.80578%0.781SS**  cis-140.9-177.327.342.4-22.8000118.5
209S29.9Very low35.5Very low114 Ų114127.9 Ų127.980%0.79778%0.775SS**  trans-107.7179.8171.6-390000110.6
210P51.3Low36.1Very low110 Ų110129 Ų12971%0.71478%0.775SS**  cis-124.8-156.83043-23.7000112.9
211G30.3Very low35.6Very low67 Ų67129.7 Ų129.769%0.69178%0.775SS**  cis-165.4-165.36.700000114.6
212E36.2Very low35.2Very low199 Ų199125.9 Ų125.993%0.9378%0.776SS**  trans-103.5159.5-161.6-58.6167.681.400117.1
213S28.9Very low35.8Very low128 Ų128123.3 Ų123.390%0.89578%0.777SS**  trans-161.8167.4146.7-160.40000113.5
214R31.6Very low35.1Very low222 Ų222123 Ų12384%0.83878%0.78SS**  trans-124.4147-172.1-76.8-170.7-179.3-168.82.2114.5
215V30.8Very low35.3Very low129 Ų129121.8 Ų121.878%0.78278%0.784SS**  39.1126.2128.9-172.60000118
216P39.5Very low35.6Very low110 Ų110123 Ų12371%0.71479%0.788SS**  -156.616769.642.4-21.2000121.4
217E24.9Very low35.3Very low175 Ų175124.8 Ų124.882%0.81879%0.794SS**  trans35.5129.2144.3-65.8-173.87200126.9
218T28Very low35.4Very low119 Ų119127.5 Ų127.573%0.7379%0.794SS**  trans8.1163.9131.426.50000123.4
219P49.5Very low36.1Very low115 Ų115127 Ų12775%0.74779%0.79SS**  cis-129.7-124.5-13.635.5-11.4000111.2
220P42.7Very low36.3Very low107 Ų107125.4 Ų125.470%0.69578%0.784SS**  cis-133.6163.1-38.635.8-16.5000118.3
221T26.2Very low35.5Very low139 Ų139128 Ų12885%0.85379%0.79SS**  trans34.3109.9142.5-47.50000125.7
222G28.1Very low35.6Very low73 Ų73129 Ų12975%0.75379%0.792SS**  trans66.9172.5133.300000121.9
223P46.3Very low35.4Very low141 Ų141127 Ų12792%0.91679%0.785SS**  cis-125.7-157.4-3.142.9-25.6000115.1
224A28.5Very low35.4Very low89 Ų89127.9 Ų127.974%0.73678%0.779SS**  trans-104.5-161.3-170.600000113.3
225P51.4Low35.3Very low121 Ų121125.5 Ų125.579%0.78678%0.777SS**  cis-147.4-173.511.546.1-25.2000120
226A34.8Very low35.7Very low94 Ų94125.1 Ų125.178%0.77778%0.777SS**  trans76.3151.6159.600000118.5
227V30.9Very low35.1Very low143 Ų143127.4 Ų127.487%0.86778%0.782SS**  cis-133.216418-177.20000112.3
228L38.1Very low36Very low158 Ų158124.7 Ų124.783%0.82778%0.78SS**  trans-88.4-179.3179.9-80.9174.3000113.1
229P50Low35.9Very low113 Ų113122.5 Ų122.573%0.73478%0.781SS**  cis-144.9165.618.245.7-26.7000120.4
230A34.7Very low35Very low81 Ų81121.4 Ų121.467%0.66978%0.782SS**  trans50.6151.4132.200000123.8
231I35Very low34.1Very low164 Ų164123.9 Ų123.984%0.84179%0.79SS**  cis-156.7139.7-13.9-107161.2000107.6
232A31.9Very low34.4Very low88 Ų88126.9 Ų126.973%0.72779%0.791SS**  trans-157.4167.8171.700000112
233M31.2Very low35.3Very low159 Ų159129 Ų12978%0.78379%0.791SS**  trans-148.4155.5-169.3-61.3-86.58700109.5
234L30Very low34.5Very low145 Ų145130.7 Ų130.776%0.75978%0.784SS**  cis-161.2-179.3-8.4-121.3175.4000111.7
235Q28.8Very low34.7Very low173 Ų173132.1 Ų132.181%0.80879%0.786SS**  trans-93.6178.9163.5-91.7-179.8-7.400110.2
236P39.4Very low33.4Very low121 Ų121129.9 Ų129.979%0.78678%0.778SS**  cis-150.4-171.830.842.8-19.2000119.5
237L26Very low33Very low157 Ų157131.4 Ų131.482%0.82278%0.783SS**  trans-59.5179.2159.8-121.165.3000112.8
238P44.3Very low32.8Very low118 Ų118128.8 Ų128.877%0.76678%0.777SS**  cis-138.5-179.4-7.241.3-24.2000116.1
239G26.5Very low32.2Very low73 Ų73128 Ų12875%0.75377%0.773SS**  113112.7129.900000121.6
240A29.9Very low31.1Very low93 Ų93130.2 Ų130.277%0.76977%0.774SS**  trans72.4147.2137.200000124.1
241D25Very low30.9Very low159 Ų159135 Ų13585%0.8578%0.782SS**  trans73.3125.6148-60.8-26.5000125.5
242F32.3Very low31.2Very low201 Ų201131.9 Ų131.988%0.88277%0.773SS**  trans-73.1170.3150.9-90.4-102000109.7
243P45.7Very low30.9Very low117 Ų117134.8 Ų134.876%0.7678%0.775SS**  cis-146.6-16728.543.6-21.9000117.4
244K29.5Very low30.7Very low177 Ų177133.1 Ų133.177%0.7777%0.774SS**  trans-67.2151.6176.1178.9173-176.3171.90115.4
245P33.6Very low30.7Very low119 Ų119131.8 Ų131.877%0.77378%0.775SS**  -123.5157.6122.332.8-23.7000111
246A24.5Very low31.1Very low74 Ų74128.9 Ų128.961%0.61277%0.772SS**  cis112.8121.59.100000113.4
247S25.4Very low31Very low126 Ų126128.2 Ų128.288%0.88177%0.768SS**  trans65.9153.1170.3-67.90000118.2
248A27.2Very low31Very low89 Ų89125.5 Ų125.574%0.73676%0.757SS**  cis-168173.3-19.400000111.6
249N25.6Very low30.1Very low141 Ų141127.8 Ų127.875%0.75476%0.757SS**  trans100.4141.9144.2-131.328.5000121.2
250E27.6Very low30.3Very low160 Ų160132.6 Ų132.675%0.74876%0.76SS**  trans66.8100.9158.2-37.7-154.4101.600121.7
251Q28.7Very low30.2Very low180 Ų180132.6 Ų132.684%0.84176%0.76SS**  6.3161.7113-77.6-173-19.800120
252P41.6Very low31.1Very low100 Ų100130.7 Ų130.765%0.64976%0.756SS**  cis-141.4-154.1-27.835.2-12.5000112.6
253L26.1Very low31.6Very low148 Ų148126.2 Ų126.278%0.77575%0.748SS**  trans84.6140.1153.6-72157.5000122
254T26.2Very low30.6Very low124 Ų124126.7 Ų126.776%0.76175%0.749SS**  trans60.3101.9148.149.30000121.8
255C31.3Very low30.6Very low117 Ų117122.4 Ų122.479%0.79175%0.746SS**  -57.2161.9127.2-131.40000109.3
256P36.7Very low30.6Very low112 Ų112121.2 Ų121.273%0.72775%0.746SS**  cis-147.6-127.642.735.5-7.5000115
257P37.1Very low31.4Very low108 Ų108123.4 Ų123.470%0.70175%0.754SS**  -121.6-157.5-88.930.7-9.6000114.5
258V25.7Very low31.7Very low99 Ų99123.4 Ų123.460%0.675%0.754SS**  trans103.490.7151.2-168.30000119.3
259Q25.3Very low31.9Very low166 Ų166128.8 Ų128.878%0.77676%0.761SS**  61.6173.9126.3-59174.55.700122.3
260H30.8Very low32.6Very low175 Ų175128.3 Ų128.381%0.8177%0.765SS**  trans91134.8172.8-59.4-86.1000118.2
261A29Very low32.7Very low93 Ų93124 Ų12477%0.76977%0.765SS**  trans-148.9-173.2-17600000107.5
262P42.5Very low33.1Very low118 Ų118121.4 Ų121.477%0.76676%0.763SS**  cis-116.4-134.7-18.939.3-20.3000108
263P44.5Very low32.4Very low108 Ų108122.6 Ų122.670%0.70177%0.769SS**  cis-128.4-171.1-31.630.6-8.6000114.2
264T24.4Very low33Very low127 Ų127123.3 Ų123.378%0.77977%0.773SS**  trans112.5119.4142-48.10000121.3
265A28.2Very low33.2Very low86 Ų86123.3 Ų123.371%0.71177%0.772SS**  trans70.4115.1145.600000125.8
266A34.1Very low33.2Very low94 Ų94126.8 Ų126.878%0.77777%0.774SS**  67.3167119.800000122
267P42Very low32.9Very low120 Ų120130.1 Ų130.178%0.77978%0.78SS**  cis-134.4162.4-3934.8-18.7000115.2
268S31.3Very low32.4Very low127 Ų127130 Ų13089%0.88878%0.782SS**  trans-174.1164.9147.130.20000113.7
269K32.3Very low32.3Very low201 Ų201132.7 Ų132.787%0.87479%0.788SS**  trans-125.9178178.8-67.6180176.7-179.90108.8
270P38.3Very low32.3Very low131 Ų131130.7 Ų130.785%0.85178%0.778SS**  cis-128174-19.826.8-5.6000114
271G30.3Very low32.1Very low71 Ų71131 Ų13173%0.73278%0.777SS**  trans162.8116.9161.600000116.1
272P36.6Very low32Very low125 Ų125131.8 Ų131.881%0.81278%0.777SS**  trans-84.7172.4169.439.2-36.5000110.6
273T28.3Very low31.2Very low124 Ų124133.8 Ų133.876%0.76178%0.78SS**  cis-162.9142.736.4-490000110.5
274L38.4Very low30.3Very low164 Ų164132.9 Ų132.986%0.85978%0.776SS**  trans-155.6167.3163-110.4174.5000111.2
275V30.6Very low30.3Very low124 Ų124133.7 Ų133.775%0.75277%0.771SS**  trans75.8115.6-165-172.70000111.3
276K31.7Very low30.5Very low189 Ų189137 Ų13782%0.82277%0.77SS**  cis95.1148.131.7-169.3-177.1177.6-174.10111.9
277Q29Very low30.3Very low183 Ų183137.5 Ų137.586%0.85577%0.767SS**  trans70.6147.6-167.3-79.8177.1-30.100114.3
278S27.6Very low29.8Very low106 Ų106143.2 Ų143.274%0.74177%0.774SS**  cis-145.6174.9-5.6-157.80000113.5
279Q23.2Very low30.1Very low155 Ų155141.5 Ų141.572%0.72476%0.762SS**  trans-73.5177.8176.2-39.3176.523.600111.2
280Q25.9Very low30.5Very low124 Ų124141.5 Ų141.558%0.57976%0.762SS**  cis-167.7143.713.9-150-178.375.200111.4
281K25.4Very low30.4Very low182 Ų182144.4 Ų144.479%0.79176%0.761SS**  trans60.6156.4163.8-67.7151.4-174.4166.50116.9
282S27.2Very low30.8Very low108 Ų108144.7 Ų144.776%0.75576%0.763SS**  cis-130173-5.269.10000109.2
283L26.4Very low31.4Very low160 Ų160148.4 Ų148.484%0.83877%0.767SS**  -169158.479-136.9163000110
284S25.2Very low31.6Very low89 Ų89149.4 Ų149.462%0.62276%0.763SS**  trans-113142.5-175.254.60000114.8
285E25Very low31.9Very low145 Ų145146.6 Ų146.668%0.67876%0.763SS**  trans82.1147.9146.4-83.8-158.7105.500124
286K31.6Very low32.2Very low155 Ų155147.9 Ų147.967%0.67476%0.759SS**  trans79.692.6143.3-78.3159.6177140.10121.8
287S30.8Very low32.8Very low104 Ų104143.9 Ų143.973%0.72776%0.755SS**  125.5125.4107.2-64.10000119.8
288R31.2Very low33.6Very low241 Ų241146.4 Ų146.491%0.90976%0.756SS**  trans47.2146.3135.5-75.6-175.6171.8153.90.7121.1
289S38Very low34.5Very low91 Ų91147.3 Ų147.364%0.63676%0.757SS**  cis-176.6175.7-1.453.60000111.9
290K39.3Very low36.5Very low201 Ų201148.9 Ų148.987%0.87476%0.762SS**  trans71.1151.2165.4-78.9172.7-179.7172.50115.3
291K37.1Very low38.2Very low192 Ų192152.8 Ų152.884%0.83578%0.777SS**  cis-148.7120.10.4172.5-179.9178.6-177.60109.8
292G39.1Very low39.7Very low76 Ų76151.4 Ų151.478%0.78478%0.777SS**  trans-71.4146.4169.400000112.2
293K47.4Very low41.5Very low203 Ų203155.1 Ų155.188%0.88378%0.779SS**  trans-119.195.1-176.5-165.5-179.8-176.2-176.10111.2A295K293-A295 PolarHBondContact O-N 2.87Å
294E33.6Very low42.9Very low146 Ų146158.4 Ų158.468%0.68278%0.782SS**  trans20.192.8157.7-165-167.7-17200117.5K296E294-K296 HydrophobicContact CG-CG 3.91Å; E294-K296 PolarHBondContact O-N 2.78Å; E294-K296 WeakPolarHBondContact OE1-CE 3.49Å; E294-K296 IonicContact OE1-NZ 3.33Å; E294-K296 WeakPolarHBondContact OE2-CE 3.44Å; E294-K296 IonicContact OE2-NZ 2.7Å
295A44.5Very low44.9Very low105 Ų105162.6 Ų162.687%0.86879%0.792SS**  trans-78.498.1164.800000109.8K293 S297K293-A295 PolarHBondContact O-N 2.87Å; A295-S297 PolarHBondContact O-N 3.36Å
296K36.6Very low46.3Very low151 Ų151164.2 Ų164.266%0.65780%0.799SS**  trans-70.1110.7-178.3-68-177.7175.8-179.40111.5E294 R298E294-K296 HydrophobicContact CG-CG 3.91Å; E294-K296 PolarHBondContact O-N 2.78Å; E294-K296 WeakPolarHBondContact OE1-CE 3.49Å; E294-K296 IonicContact OE1-NZ 3.33Å; E294-K296 WeakPolarHBondContact OE2-CE 3.44Å; E294-K296 IonicContact OE2-NZ 2.7Å; K296-R298 PolarHBondContact O-N 3.3Å
297S45.4Very low47.4Very low105 Ų105165.5 Ų165.573%0.73480%0.801SS**  trans-63.2106.1167.945.30000109.8A295 V299A295-S297 PolarHBondContact O-N 3.36Å; S297-V299 VanDerWaalsContact C-N 3.27Å; S297-V299 PolarHBondContact O-N 3.35Å
298R44.5Very low48.2Very low235 Ų235166.2 Ų166.289%0.88780%0.801SS**  trans-73.581.2176.3-70.8-170.8178.7-160.12.1110.1K296 K300K296-R298 PolarHBondContact O-N 3.3Å; R298-K300 PolarHBondContact O-N 3.16Å
299V46.4Very low49Very low125 Ų125159 Ų15976%0.75879%0.786SS**  trans-59.3101.9168.9-178.90000108.2S297 K301S297-V299 VanDerWaalsContact C-N 3.27Å; S297-V299 PolarHBondContact O-N 3.35Å; V299-K301 PolarHBondContact O-N 3.25Å
300K65.9Low49.5Very low189 Ų189159.9 Ų159.982%0.82279%0.789SS**  trans-63.1118168.7-69.6179.2178.7177.50106.8R298 L302R298-K300 PolarHBondContact O-N 3.16Å; K300-L302 PolarHBondContact O-N 3.06Å
301K62.4Low50Low206 Ų206155.9 Ų155.990%0.89678%0.777SS**  trans-61.4106169.9-75-173.1175.7-175.40107.9V299 K303V299-K301 PolarHBondContact O-N 3.25Å; K301-K303 PolarHBondContact O-N 3.32Å
302L56.5Low50.6Low153 Ų153154.2 Ų154.280%0.80177%0.772SS**  trans-58.4121.9166.2-71.4168.1000107.3K300 Y304K300-L302 PolarHBondContact O-N 3.06Å; L302-Y304 PolarHBondContact O-N 3.42Å
303K63.7Low50.5Low185 Ų185160.2 Ų160.280%0.80478%0.777SS**  trans-69.4116.4166-100.5-178.4172.3-179.70106.3K301 H305K301-K303 PolarHBondContact O-N 3.32Å; K303-H305 PolarHBondContact O-N 2.78Å
304Y56.4Low50.5Low230 Ų230159.7 Ų159.790%0.90278%0.777SS**  trans-62.2104.7168.6-67.7-86.5000108.1L302 Q306L302-Y304 PolarHBondContact O-N 3.42Å; Y304-Q306 PolarHBondContact O-N 2.95Å; Y304-Q306 VanDerWaalsContact O-N 3.11Å
305H68.4Low50.5Low176 Ų176160.2 Ų160.282%0.81579%0.785SS**  trans-69.8103.1160.7-78-90.6000106.3K303 Y307K303-H305 PolarHBondContact O-N 2.78Å; H305-Y307 PolarHBondContact O-N 2.89Å
306Q52.9Low50.6Low180 Ų180159.7 Ų159.784%0.84178%0.781SS**  trans-63.1110177.2-175.4169.58.500108Y304 V308Y304-Q306 PolarHBondContact O-N 2.95Å; Y304-Q306 VanDerWaalsContact O-N 3.11Å; Q306-V308 PolarHBondContact O-N 2.93Å
307Y54.6Low50.9Low181 Ų181155.3 Ų155.371%0.7178%0.778SS**  trans-68.1105.6-179.8-175.9-96.7000109.1H305 P309 P310H305-Y307 PolarHBondContact O-N 2.89Å; Y307-P309 HydrophobicContact CD1-CG 4.36Å; Y307-P309 HydrophobicContact CE1-CB 4.26Å; Y307-P309 HydrophobicContact CE1-CG 4.39Å; Y307-P309 WeakPolarHBondContact O-CD 3.48Å; Y307-P310 WeakPolarHBondContact OH-CD 3.05Å
308V48.3Very low50.5Low120 Ų120158.4 Ų158.473%0.72778%0.781SS**  trans-79.3118.2165.81790000106.5Q306 P310Q306-V308 PolarHBondContact O-N 2.93Å; V308-P310 WeakPolarHBondContact O-CD 3.22Å
309P48.3Very low50.4Low90 Ų90151.7 Ų151.758%0.58477%0.768SS**  trans-63.9127.2178.5-21.433.8000110.8Y307 D311Y307-P309 HydrophobicContact CD1-CG 4.36Å; Y307-P309 HydrophobicContact CE1-CB 4.26Å; Y307-P309 HydrophobicContact CE1-CG 4.39Å; Y307-P309 WeakPolarHBondContact O-CD 3.48Å; P309-D311 VanDerWaalsContact C-N 3.25Å; P309-D311 PolarHBondContact O-N 3.09Å
310P48.7Very low50.7Low109 Ų109151.3 Ų151.371%0.70877%0.768SS**  trans-77.380.2168.432.4-32.2000109.1Y307 V308Y307-P310 WeakPolarHBondContact OH-CD 3.05Å; V308-P310 WeakPolarHBondContact O-CD 3.22Å
311D48.2Very low49.9Very low117 Ų117148.6 Ų148.663%0.62676%0.76SS**  trans-72.5148.7174.8-165.70.2000111.4P309 K313P309-D311 VanDerWaalsContact C-N 3.25Å; P309-D311 PolarHBondContact O-N 3.09Å; D311-K313 PolarHBondContact O-N 2.78Å
312Q50.7Low50Low156 Ų156144.1 Ų144.173%0.72975%0.746SS**  trans5354.8158.2-93.4161.484.300118.5
313K37.1Very low50.6Low202 Ų202139.6 Ų139.688%0.87873%0.727SS**  trans-127.5100.9149.8-63.7-64.3156.8-152.40111.4D311D311-K313 PolarHBondContact O-N 2.78Å
314Q47.1Very low51.2Low192 Ų192135.5 Ų135.590%0.89772%0.721SS**  trans-68.4119.9169.5176.3-176.7400109.5
315D33.8Very low52.3Low158 Ų158132.6 Ų132.685%0.84571%0.71SS**  trans-122.5141158.2-170.823.3000108.9G317D315-G317 PolarHBondContact O-N 2.83Å
316A46.7Very low53.1Low94 Ų94126.3 Ų126.378%0.77769%0.689SS**  trans-106.970.9-162.300000111.6
317G41.8Very low54.7Low58 Ų58124.5 Ų124.560%0.59867%0.674SS**  trans-159.667.2-179.100000112.7D315 P319D315-G317 PolarHBondContact O-N 2.83Å; G317-P319 WeakPolarHBondContact O-CD 3.38Å
318E37.9Very low56.6Low170 Ų170120.3 Ų120.379%0.79466%0.664SS**  trans-73.1115.4172.6-178.1180-133.800110.3
319P41.6Very low58.7Low95 Ų95118.8 Ų118.862%0.61765%0.651SS**  trans-71.3124.6156.730.6-30.9000107.4G317 M321G317-P319 WeakPolarHBondContact O-CD 3.38Å; P319-M321 PolarHBondContact O-N 3.46Å
320P54.1Low60.7Low117 Ų117120.9 Ų120.976%0.7665%0.653SS**  trans-59.6111.1-177.624-33.5000109.2D322P320-D322 PolarHBondContact O-N 2.89Å
321M48.8Very low62.6Low131 Ų131122.1 Ų122.165%0.64565%0.649SS**  trans-83.650.4-159-127.2-63.1-71.300113.2P319 S323P319-M321 PolarHBondContact O-N 3.46Å; M321-S323 PolarHBondContact O-N 3.26Å
322D63.3Low64.6Low112 Ų112122.6 Ų122.660%0.59965%0.648SS**  trans-78.249.9-179.6-156.52.5000111.5P320 R327P320-D322 PolarHBondContact O-N 2.89Å; D322-R327 IonicContact OD1-CZ 3.25Å; D322-R327 IonicContact OD1-NE 2.71Å; D322-R327 PolarHBondContact OD1-NE 3.49Å; D322-R327 IonicContact OD1-NH2 3.51Å; D322-R327 PolarHBondContact OD1-NH2 2.95Å; D322-R327 IonicContact OD2-NH2 3.07Å; D322-R327 PolarHBondContact OD2-NH2 2.88Å
323S71.1Confident66.5Low59 Ų59121.6 Ų121.641%0.41364%0.643SS.*  trans-86.9139.3177.2-173.60000110.7M321 Y325 A326M321-S323 PolarHBondContact O-N 3.26Å; S323-Y325 PolarHBondContact O-N 3.23Å; S323-A326 WeakPolarHBondContact O-CB 3.26Å; S323-A326 PolarHBondContact O-N 2.92Å
324S76.3Confident69.1Low98 Ų98118 Ų11869%0.68563%0.633SS**Hα-helixtrans-48.1-34.3-167.857.90000115.4R327 L328S324-R327 PolarHBondContact O-N 3.48Å; S324-L328 WeakPolarHBondContact O-CB 3.34Å; S324-L328 PolarHBondContact O-N 3.15Å
325Y78.4Confident71.4Confident169 Ų169115 Ų11566%0.66362%0.617SS**Hα-helixtrans-63.7-38.7177.7-173.7-100.5000113.2S323 L328 L329S323-Y325 PolarHBondContact O-N 3.23Å; Y325-L328 PolarHBondContact O-N 2.87Å; Y325-L329 WeakPolarHBondContact O-CB 3.38Å; Y325-L329 PolarHBondContact O-N 3.41Å
326A84.5Confident74.2Confident45 Ų45112 Ų11237%0.37260%0.601SS.*Hα-helixtrans-65.8-41.417700000111.1S323 L329 Q330S323-A326 WeakPolarHBondContact O-CB 3.26Å; S323-A326 PolarHBondContact O-N 2.92Å; A326-L329 PolarHBondContact O-N 3.44Å; A326-Q330 WeakPolarHBondContact O-CB 3.28Å; A326-Q330 PolarHBondContact O-N 2.84Å
327R87.8Confident76.3Confident142 Ų142112.4 Ų112.454%0.53659%0.586SS.*Hα-helixtrans-67.7-36.3176-161.8178.1-66.5-160.6-1.6112.3D322 S324 Q331D322-R327 IonicContact OD1-CZ 3.25Å; D322-R327 IonicContact OD1-NE 2.71Å; D322-R327 PolarHBondContact OD1-NE 3.49Å; D322-R327 IonicContact OD1-NH2 3.51Å; D322-R327 PolarHBondContact OD1-NH2 2.95Å; D322-R327 IonicContact OD2-NH2 3.07Å; D322-R327 PolarHBondContact OD2-NH2 2.88Å; S324-R327 PolarHBondContact O-N 3.48Å; R327-Q331 WeakPolarHBondContact O-CB 3.39Å; R327-Q331 PolarHBondContact O-N 2.95Å
328L93.3Very high78.6Confident93 Ų93115.2 Ų115.249%0.48759%0.587SS.*Hα-helixtrans-67.6-41.5172.9-179.562.6000112S324 Y325 Q331 Q332S324-L328 WeakPolarHBondContact O-CB 3.34Å; S324-L328 PolarHBondContact O-N 3.15Å; Y325-L328 PolarHBondContact O-N 2.87Å; L328-Q331 PolarHBondContact O-N 3.32Å; L328-Q332 WeakPolarHBondContact O-CB 3.44Å; L328-Q332 PolarHBondContact O-N 2.99Å
329L92.3Very high81Confident87 Ų87112.2 Ų112.246%0.45557%0.573SS.*Hα-helixtrans-64.6-44.4175.9-175.464.2000111Y325 A326 Q332 Q333Y325-L329 WeakPolarHBondContact O-CB 3.38Å; Y325-L329 PolarHBondContact O-N 3.41Å; A326-L329 PolarHBondContact O-N 3.44Å; L329-Q332 PolarHBondContact O-N 2.83Å; L329-Q333 WeakPolarHBondContact O-CB 3.33Å; L329-Q333 PolarHBondContact O-N 3.35Å
330Q90.6Very high83.4Confident134 Ų134111.7 Ų111.763%0.62656%0.564SS**Hα-helixtrans-59.1-46.2172.8-173.9-172.352.600111.4A326 Q332 Q333 L334A326-Q330 WeakPolarHBondContact O-CB 3.28Å; A326-Q330 PolarHBondContact O-N 2.84Å; Q330-Q332 PolarHBondContact O-N 3.38Å; Q330-Q333 PolarHBondContact O-N 2.85Å; Q330-L334 WeakPolarHBondContact O-CB 3.46Å; Q330-L334 PolarHBondContact O-N 3.4Å
331Q89.3Confident85Confident135 Ų135110.4 Ų110.463%0.63155%0.551SS**Hα-helixtrans-61.2-42176.2-178.7-179.991.200112R327 L328 L334 F335R327-Q331 WeakPolarHBondContact O-CB 3.39Å; R327-Q331 PolarHBondContact O-N 2.95Å; L328-Q331 PolarHBondContact O-N 3.32Å; Q331-L334 PolarHBondContact O-N 2.94Å; Q331-F335 WeakPolarHBondContact O-CB 3.47Å; Q331-F335 PolarHBondContact O-N 2.74Å
332Q89.4Confident86.8Confident128 Ų128107.4 Ų107.460%0.59854%0.542SS*.Hα-helixtrans-66.3-39.3177.5-164.3-176.7122.800111.7L328 L329 Q330 F335 L336L328-Q332 WeakPolarHBondContact O-CB 3.44Å; L328-Q332 PolarHBondContact O-N 2.99Å; L329-Q332 PolarHBondContact O-N 2.83Å; Q330-Q332 PolarHBondContact O-N 3.38Å; Q332-F335 PolarHBondContact O-N 3.33Å; Q332-L336 WeakPolarHBondContact O-CB 3.46Å; Q332-L336 PolarHBondContact O-N 3.03Å
333Q91.2Very high87.9Confident135 Ų135108.1 Ų108.163%0.63154%0.542SS*.Hα-helixtrans-68.3-38.7175.6-169.7148.75000111.8L329 Q330 L336 Q337L329-Q333 WeakPolarHBondContact O-CB 3.33Å; L329-Q333 PolarHBondContact O-N 3.35Å; Q330-Q333 PolarHBondContact O-N 2.85Å; Q333-L336 PolarHBondContact O-N 3.29Å; Q333-Q337 VanDerWaalsContact O-CB 3.3Å; Q333-Q337 WeakPolarHBondContact O-CB 3.32Å; Q333-Q337 PolarHBondContact O-N 2.95Å
334L92.7Very high88.3Confident127 Ų127110.1 Ų110.167%0.66555%0.545SS*.Hα-helixtrans-66.2-40.2174.2-151.180.1000111.8Q330 Q331 Q337 L338Q330-L334 WeakPolarHBondContact O-CB 3.46Å; Q330-L334 PolarHBondContact O-N 3.4Å; Q331-L334 PolarHBondContact O-N 2.94Å; L334-Q337 PolarHBondContact O-N 3.43Å; L334-L338 WeakPolarHBondContact O-CB 3.28Å; L334-L338 PolarHBondContact O-N 3.49Å
335F93.6Very high88.3Confident129 Ų129111.5 Ų111.557%0.56654%0.541SS*.Hα-helixtrans-62.4-46.2173.6177.2-92.3000111.6Q331 Q332 L338 Q339Q331-F335 WeakPolarHBondContact O-CB 3.47Å; Q331-F335 PolarHBondContact O-N 2.74Å; Q332-F335 PolarHBondContact O-N 3.33Å; F335-L338 PolarHBondContact O-N 3.13Å; F335-Q339 WeakPolarHBondContact O-CB 3.46Å; F335-Q339 PolarHBondContact O-N 2.97Å
336L94Very high87.9Confident95 Ų95110.5 Ų110.550%0.49754%0.542SS..Hα-helixtrans-63-43.2176.8-174.964.2000111.5Q332 Q333 L338 Q339 I340Q332-L336 WeakPolarHBondContact O-CB 3.46Å; Q332-L336 PolarHBondContact O-N 3.03Å; Q333-L336 PolarHBondContact O-N 3.29Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 3.07Å; L336-Q339 PolarHBondContact O-N 2.81Å; L336-I340 HydrophobicContact CG-CD1 4.09Å; L336-I340 VanDerWaalsContact O-CG1 3.3Å; L336-I340 WeakPolarHBondContact O-CG1 3.36Å; L336-I340 PolarHBondContact O-N 3.07Å
337Q90.1Very high87.2Confident101 Ų101114.6 Ų114.647%0.47255%0.553SS.*Hα-helixtrans-59.2-43.6175-171.665.473.500111.6Q333 L334 I340 L341Q333-Q337 VanDerWaalsContact O-CB 3.3Å; Q333-Q337 WeakPolarHBondContact O-CB 3.32Å; Q333-Q337 PolarHBondContact O-N 2.95Å; L334-Q337 PolarHBondContact O-N 3.43Å; Q337-I340 PolarHBondContact O-N 2.71Å; Q337-L341 HydrophobicContact CG-CD1 4.22Å; Q337-L341 WeakPolarHBondContact O-CB 3.42Å; Q337-L341 VanDerWaalsContact O-CG 3.26Å; Q337-L341 WeakPolarHBondContact O-CG 3.45Å; Q337-L341 PolarHBondContact O-N 3.24Å
338L90.8Very high86.1Confident118 Ų118113.1 Ų113.162%0.61855%0.552SS**Hα-helixtrans-67.7-35.9176.1-17364.9000112.2L334 F335 L336 L341 S342L334-L338 WeakPolarHBondContact O-CB 3.28Å; L334-L338 PolarHBondContact O-N 3.49Å; F335-L338 PolarHBondContact O-N 3.13Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 3.07Å; L338-L341 PolarHBondContact O-N 3.37Å; L338-S342 VanDerWaalsContact O-CB 3.25Å; L338-S342 WeakPolarHBondContact O-CB 3.38Å; L338-S342 PolarHBondContact O-N 3.09Å
339Q88.1Confident84.2Confident107 Ų107113.5 Ų113.550%0.555%0.552SS.*Hα-helixtrans-69-39.2176.7-169.5167.519.300111.9F335 L336 S342 Q343F335-Q339 WeakPolarHBondContact O-CB 3.46Å; F335-Q339 PolarHBondContact O-N 2.97Å; L336-Q339 PolarHBondContact O-N 2.81Å; Q339-S342 PolarHBondContact O-N 3.45Å; Q339-Q343 WeakPolarHBondContact O-CB 3.3Å; Q339-Q343 PolarHBondContact O-N 3.37Å
340I91.6Very high82.3Confident84 Ų84116.4 Ų116.443%0.43156%0.563SS.*Hα-helixtrans-63.6-48.2171.9-67.7163.6000110.3L336 Q337 S342 Q343 Q344L336-I340 HydrophobicContact CG-CD1 4.09Å; L336-I340 VanDerWaalsContact O-CG1 3.3Å; L336-I340 WeakPolarHBondContact O-CG1 3.36Å; L336-I340 PolarHBondContact O-N 3.07Å; Q337-I340 PolarHBondContact O-N 2.71Å; I340-S342 VanDerWaalsContact C-N 3.33Å; I340-S342 PolarHBondContact O-N 3.25Å; I340-Q343 PolarHBondContact O-N 3.39Å; I340-Q344 WeakPolarHBondContact O-CB 3.32Å; I340-Q344 PolarHBondContact O-N 2.89Å
341L87.6Confident80.2Confident90 Ų90118 Ų11847%0.47156%0.564SS.*Hα-helixtrans-62.7-37177.9-73.6168000112.6Q337 L338 Q344 Q345Q337-L341 HydrophobicContact CG-CD1 4.22Å; Q337-L341 WeakPolarHBondContact O-CB 3.42Å; Q337-L341 VanDerWaalsContact O-CG 3.26Å; Q337-L341 WeakPolarHBondContact O-CG 3.45Å; Q337-L341 PolarHBondContact O-N 3.24Å; L338-L341 PolarHBondContact O-N 3.37Å; L341-Q344 PolarHBondContact O-N 2.84Å; L341-Q345 VanDerWaalsContact O-CB 3.28Å; L341-Q345 WeakPolarHBondContact O-CB 3.29Å; L341-Q345 PolarHBondContact O-N 3.36Å
342S87.8Confident78.1Confident67 Ų67115 Ų11547%0.46955%0.552SS.*Hα-helixtrans-65.3-44.9174.5-176.50000112L338 Q339 I340 Q345 Q346L338-S342 VanDerWaalsContact O-CB 3.25Å; L338-S342 WeakPolarHBondContact O-CB 3.38Å; L338-S342 PolarHBondContact O-N 3.09Å; Q339-S342 PolarHBondContact O-N 3.45Å; I340-S342 VanDerWaalsContact C-N 3.33Å; I340-S342 PolarHBondContact O-N 3.25Å; S342-Q345 PolarHBondContact O-N 3.1Å; S342-Q346 PolarHBondContact O-N 2.9Å
343Q85.6Confident75.9Confident127 Ų127117 Ų11759%0.59356%0.556SS**Hα-helixtrans-64.2-42.6175.4-172.7179105.800111.7Q339 I340 Q346 Q347Q339-Q343 WeakPolarHBondContact O-CB 3.3Å; Q339-Q343 PolarHBondContact O-N 3.37Å; I340-Q343 PolarHBondContact O-N 3.39Å; Q343-Q346 WeakPolarHBondContact O-CB 3.2Å; Q343-Q346 PolarHBondContact O-N 2.92Å; Q343-Q347 PolarHBondContact O-N 2.77Å
344Q78.6Confident73.8Confident101 Ų101118.2 Ų118.247%0.47256%0.561SS.*Hα-helixtrans-67.6-37.8177.1-162.2-173.9100.900111.5I340 L341 Q346 Q347 Q348I340-Q344 WeakPolarHBondContact O-CB 3.32Å; I340-Q344 PolarHBondContact O-N 2.89Å; L341-Q344 PolarHBondContact O-N 2.84Å; Q344-Q346 VanDerWaalsContact C-N 3.31Å; Q344-Q346 PolarHBondContact O-N 2.74Å; Q344-Q347 PolarHBondContact O-N 3.45Å; Q344-Q348 WeakPolarHBondContact O-CB 3.34Å; Q344-Q348 WeakPolarHBondContact O-CG 3.41Å; Q344-Q348 PolarHBondContact O-N 3.34Å
345Q76.5Confident71.3Confident128 Ų128116.4 Ų116.460%0.59856%0.555SS**Hα-helixtrans-62.1-38.9171.3-176.9177.586.200111.3L341 S342 Q348 Q349L341-Q345 VanDerWaalsContact O-CB 3.28Å; L341-Q345 WeakPolarHBondContact O-CB 3.29Å; L341-Q345 PolarHBondContact O-N 3.36Å; S342-Q345 PolarHBondContact O-N 3.1Å; Q345-Q348 PolarHBondContact O-N 2.88Å; Q345-Q349 WeakPolarHBondContact O-CG 3.42Å; Q345-Q349 PolarHBondContact O-N 2.87Å
346Q71.3Confident69.1Low148 Ų148115.6 Ų115.669%0.69256%0.556SS**Hα-helixtrans-66.1-36.3176.7-165.7171.9-2.600112.2S342 Q343 Q344 H350S342-Q346 PolarHBondContact O-N 2.9Å; Q343-Q346 WeakPolarHBondContact O-CB 3.2Å; Q343-Q346 PolarHBondContact O-N 2.92Å; Q344-Q346 VanDerWaalsContact C-N 3.31Å; Q344-Q346 PolarHBondContact O-N 2.74Å; Q346-H350 PolarHBondContact O-N 3.37Å
347Q69.4Low66.2Low130 Ų130118.3 Ų118.361%0.60757%0.57SS**Hα-helixtrans-67.9-46.5169-73-174.3-6.600112.4Q343 Q344 Q349 H350 Y351Q343-Q347 PolarHBondContact O-N 2.77Å; Q344-Q347 PolarHBondContact O-N 3.45Å; Q347-Q349 VanDerWaalsContact C-N 3.32Å; Q347-Q349 PolarHBondContact O-N 3.37Å; Q347-H350 CarbonylContact O-C 3.59Å; Q347-H350 WeakPolarHBondContact O-CA 3.41Å; Q347-H350 PolarHBondContact O-N 2.89Å; Q347-Y351 WeakPolarHBondContact O-CB 3.34Å; Q347-Y351 PolarHBondContact O-N 2.88Å
348Q64Low63.7Low111 Ų111119 Ų11952%0.51958%0.583SS.*Hα-helixtrans-55.9-43.6177.4-75.2-89.511.100111.7Q344 Q345 H350 Y351 N352Q344-Q348 WeakPolarHBondContact O-CB 3.34Å; Q344-Q348 WeakPolarHBondContact O-CG 3.41Å; Q344-Q348 PolarHBondContact O-N 3.34Å; Q345-Q348 PolarHBondContact O-N 2.88Å; Q348-H350 VanDerWaalsContact C-N 3.34Å; Q348-H350 PolarHBondContact O-N 2.94Å; Q348-Y351 PolarHBondContact O-N 3.27Å; Q348-N352 WeakPolarHBondContact O-CB 3.44Å; Q348-N352 PolarHBondContact O-N 3.37Å
349Q53.9Low60.9Low102 Ų102117.8 Ų117.848%0.47759%0.59SS.*Hα-helixtrans-60.5-43.1172.8-70.3-66.4-63.200111.5Q345 Q347 Y351 Y353Q345-Q349 WeakPolarHBondContact O-CG 3.42Å; Q345-Q349 PolarHBondContact O-N 2.87Å; Q347-Q349 VanDerWaalsContact C-N 3.32Å; Q347-Q349 PolarHBondContact O-N 3.37Å; Q349-Y351 VanDerWaalsContact C-N 3.32Å; Q349-Y351 PolarHBondContact O-N 2.93Å; Q349-Y353 VanDerWaalsContact O-CD2 3.27Å; Q349-Y353 WeakPolarHBondContact O-CD2 3.28Å; Q349-Y353 PolarHBondContact O-N 2.8Å
350H53Low58.2Low148 Ų148118.3 Ų118.369%0.68561%0.606SS**Hα-helixtrans-70.9-25.9179.6-151.8-56.2000113.7Q346 Q347 Q348Q346-H350 PolarHBondContact O-N 3.37Å; Q347-H350 CarbonylContact O-C 3.59Å; Q347-H350 WeakPolarHBondContact O-CA 3.41Å; Q347-H350 PolarHBondContact O-N 2.89Å; Q348-H350 VanDerWaalsContact C-N 3.34Å; Q348-H350 PolarHBondContact O-N 2.94Å
351Y45.3Very low55.5Low167 Ų167122 Ų12266%0.65563%0.626SS**Hα-helixtrans-83.4-41.4177.2-163.2-90.5000112.2Q347 Q348 Q349 Q354 T355Q347-Y351 WeakPolarHBondContact O-CB 3.34Å; Q347-Y351 PolarHBondContact O-N 2.88Å; Q348-Y351 PolarHBondContact O-N 3.27Å; Q349-Y351 VanDerWaalsContact C-N 3.32Å; Q349-Y351 PolarHBondContact O-N 2.93Å; Y351-Q354 PolarHBondContact O-N 3.26Å; Y351-T355 HydrophobicContact CE1-CG2 4.23Å; Y351-T355 PolarHBondContact O-N 3.49Å; Y351-T355 PolarHBondContact O-OG1 2.85Å
352N46.2Very low52.7Low72 Ų72127.2 Ų127.239%0.38564%0.644SS.*Hα-helixtrans-68.8-38.3-177-168.2-105.6000112.7Q348 Q354 T355 I356Q348-N352 WeakPolarHBondContact O-CB 3.44Å; Q348-N352 PolarHBondContact O-N 3.37Å; N352-Q354 PolarHBondContact O-N 3.22Å; N352-T355 WeakPolarHBondContact CA-OG1 3.49Å; N352-T355 PolarHBondContact O-N 3.1Å; N352-T355 VanDerWaalsContact O-N 3.15Å; N352-T355 PolarHBondContact O-OG1 3.11Å; N352-I356 WeakPolarHBondContact ND2-CD1 3.28Å; N352-I356 PolarHBondContact O-N 3.11Å
353Y42.8Very low49.9Very low170 Ų170130.2 Ų130.267%0.66766%0.662SS**Hα-helixtrans-66.1-20.3173.8-86.5-104.1000113.7Q349Q349-Y353 VanDerWaalsContact O-CD2 3.27Å; Q349-Y353 WeakPolarHBondContact O-CD2 3.28Å; Q349-Y353 PolarHBondContact O-N 2.8Å
354Q46.4Very low47Very low161 Ų161130.9 Ų130.975%0.75268%0.675SS**Hα-helixtrans-86.6-15.4174.9-73.3-77.894.500113.2Y351 N352Y351-Q354 PolarHBondContact O-N 3.26Å; N352-Q354 PolarHBondContact O-N 3.22Å
355T41Very low44.6Very low88 Ų88130.4 Ų130.454%0.5469%0.688SS.*Hα-helixtrans-108.6-16.1-174.334.40000114.7Y351 N352Y351-T355 HydrophobicContact CE1-CG2 4.23Å; Y351-T355 PolarHBondContact O-N 3.49Å; Y351-T355 PolarHBondContact O-OG1 2.85Å; N352-T355 WeakPolarHBondContact CA-OG1 3.49Å; N352-T355 PolarHBondContact O-N 3.1Å; N352-T355 VanDerWaalsContact O-N 3.15Å; N352-T355 PolarHBondContact O-OG1 3.11Å
356I46.9Very low42.3Very low112 Ų112133.8 Ų133.857%0.57470%0.704SS**  trans-115.560.9-178.1-43.3-176.4000112.2N352N352-I356 WeakPolarHBondContact ND2-CD1 3.28Å; N352-I356 PolarHBondContact O-N 3.11Å
357L33.1Very low40.2Very low153 Ų153131.6 Ų131.680%0.80171%0.705SS**  trans-112.2103161.5-100.5167.9000109.3A359L357-A359 PolarHBondContact O-N 3.25Å
358P38.2Very low38.3Very low114 Ų114133.7 Ų133.774%0.7472%0.715SS**  trans-60.8127.2172.2-22.233.7000110.6S360P358-S360 PolarHBondContact O-N 3.47Å
359A32.3Very low36.5Very low93 Ų93133.7 Ų133.777%0.76973%0.727SS**  trans-61.7128.3177.800000110.7L357 L361L357-A359 PolarHBondContact O-N 3.25Å; A359-L361 PolarHBondContact O-N 3.41Å
360S30.9Very low35.3Very low118 Ų118134.6 Ų134.683%0.82575%0.745SS**  trans-74.491.1-177.350.30000111.9P358 K362P358-S360 PolarHBondContact O-N 3.47Å; S360-K362 PolarHBondContact O-N 3.39Å
361L33.5Very low34Very low162 Ų162130.9 Ų130.985%0.84875%0.747SS**PPolyproline II helixtrans-58.4125.7165.9-67.6175.5000109.6A359A359-L361 PolarHBondContact O-N 3.41Å
362K29.6Very low33.4Very low199 Ų199130.7 Ų130.787%0.86576%0.762SS**PPolyproline II helixtrans-70.9128.3170.8-67177.9-179.7175.50108.8S360S360-K362 PolarHBondContact O-N 3.39Å
363P28.8Very low32.6Very low130 Ų130130.6 Ų130.684%0.84478%0.778SS**PPolyproline II helixtrans-69.8134.4162.830.2-32.1000109
364V25.3Very low32Very low142 Ų142126.9 Ų126.986%0.86178%0.783SS**  trans-113.5131.4159.976.70000107.4
365A27.8Very low31.3Very low91 Ų91127.4 Ų127.475%0.75279%0.79SS**  trans-90.7159.1169.400000109.5
366E28.5Very low31.8Very low198 Ų198129 Ų12993%0.92580%0.802SS**  trans-73137.6-162.9-58.6154.810800114
367S26.9Very low31Very low103 Ų103128.4 Ų128.472%0.7281%0.814SS**  trans-164114.7133.6-1600000114
368Q29.4Very low30.9Very low174 Ų174125.9 Ų125.981%0.81381%0.809SS**  trans44.4114.9140.1-55.2-175.738.400122.4
369S26.4Very low30.8Very low110 Ų110127.9 Ų127.977%0.76981%0.812SS**  trans94132130.681.30000122.1
370S28.3Very low30.8Very low122 Ų122130.2 Ų130.285%0.85382%0.816SS**  trans63102.4138-57.60000122.5
371G27Very low30.9Very low70 Ų70131.2 Ų131.272%0.72282%0.817SS**  115.5115.7108.100000120.8
372V31.7Very low30.7Very low162 Ų162129.4 Ų129.498%0.98282%0.818SS**  trans61.6130.8141-165.50000120.2
373G30.6Very low30.6Very low70 Ų70127.8 Ų127.872%0.72282%0.818SS**  trans149.390.4146.200000120.6
374A28.3Very low31.3Very low92 Ų92126.7 Ų126.776%0.7681%0.811SS**  trans22.4118.7143.300000124
375L33.3Very low31.3Very low172 Ų172126.5 Ų126.590%0.90181%0.81SS**  57.6158.7121.3-62.4179.1000123.4
376P51.8Low31.5Very low122 Ų122126.3 Ų126.379%0.79281%0.808SS**  trans-120.4163.6-162.442.4-29.9000117
377A30.2Very low31.9Very low100 Ų100122.7 Ų122.783%0.82680%0.802SS**  trans-152.1156.5154.700000107.2
378S30Very low32.2Very low100 Ų100123.5 Ų123.570%0.69981%0.805SS**  cis148.7114.2-10-179.70000105.1
379I36.3Very low32.6Very low155 Ų155124 Ų12480%0.79581%0.807SS**  trans33.4115.9150.2-53.2169.4000118.7
380V31.3Very low32.9Very low143 Ų143124.2 Ų124.287%0.86781%0.806SS**  -155.5148.7125.9-100.60000111.2
381V32.9Very low32.8Very low138 Ų138126.7 Ų126.784%0.83681%0.809SS**  trans-102.7124.3173.3171.30000109.6
382S30.1Very low33.2Very low125 Ų125127.8 Ų127.887%0.87481%0.811SS**  trans-172.3154.7155.2-85.60000112.8
383L26.9Very low33.5Very low165 Ų165125.9 Ų125.986%0.86480%0.802SS**  trans-151.8156.6179.4-166.281.2000106.5
384P44.3Very low33.6Very low107 Ų107128.4 Ų128.470%0.69581%0.806SS**  cis-118.2177.9-13.213.610.9000113.2
385T25.5Very low34.1Very low138 Ų138128.2 Ų128.285%0.84780%0.804SS**  166.8142.8127.4-72.10000111.4
386A30.8Very low34.1Very low86 Ų86125.9 Ų125.971%0.71180%0.799SS**  trans-110.6157.2175.900000110.1
387P38.7Very low33.1Very low122 Ų122125.7 Ų125.779%0.79280%0.798SS**  -147.5-157.169.942.7-22.2000111.7
388P33.1Very low33.2Very low120 Ų120132.3 Ų132.378%0.77980%0.802SS**  cis-126.7-176.4-9.442.2-25.8000115.2
389Q36.4Very low33.3Very low184 Ų184133.3 Ų133.386%0.8681%0.806SS**  trans-102.4159.7172.8-68.3-172.6-39.300112.9
390P33.2Very low33.4Very low115 Ų115133 Ų13375%0.74781%0.806SS**  trans-133.2126.5143.433.4-18.8000114.8
391L27.2Very low33.7Very low174 Ų174132.1 Ų132.191%0.91180%0.796SS**  trans50.2129.7139.6-59.1167.4000121.9
392A34.3Very low34Very low93 Ų93134 Ų13477%0.76980%0.8SS**  trans-100.5163.2164.300000110.7
393P38Very low34.6Very low123 Ų123134.7 Ų134.780%0.79979%0.794SS**  -148.3-162.476.543.1-24.5000112.5
394P32.2Very low35.5Very low123 Ų123130.2 Ų130.280%0.79978%0.78SS**  cis-118.6-177.5-17.240.7-26.7000113.5
395A38.6Very low35.3Very low88 Ų88132.6 Ų132.673%0.72779%0.788SS**  trans-91.7157.2171.300000112.1
396P35.1Very low36.4Very low123 Ų123135.6 Ų135.680%0.79978%0.783SS**  -139.6-151.795.443-28000113.4
397P29.5Very low37.4Very low118 Ų118140.9 Ų140.977%0.76679%0.79SS**PPolyproline II helix-86.2154.9-120.939.1-28.9000115.8
398R32.4Very low38.2Very low238 Ų238138 Ų13890%0.89877%0.771SS**PPolyproline II helixtrans-87.4132.3167.8-73.8179.8171168.9-3.5111.2
399P33.5Very low39.6Very low122 Ų122134.5 Ų134.579%0.79276%0.758SS**PPolyproline II helixtrans-80122.5173.431.1-32.6000111.8
400N38.1Very low41.2Very low147 Ų147131.4 Ų131.479%0.78675%0.751SS**PPolyproline II helixtrans-96.4158.9161.7-81.6-24.4000109.9
401N37.4Very low43.5Very low126 Ų126126.3 Ų126.367%0.67472%0.717SS**  trans59.2104.3169.3-70.5-37.3000117.9A404N401-A404 HydrophobicContact CB-CB 4.27Å
402L37.9Very low45.8Very low176 Ų176121 Ų12192%0.92169%0.693SS**SBendtrans-119.914.2164.3-76.7177.6000115
403L44.6Very low47.6Very low141 Ų141121.2 Ų121.274%0.73870%0.695SS**SBendtrans-126.6-2.5171.8-92.4169.2000114.9
404A44.2Very low49.7Very low70 Ų70118.3 Ų118.358%0.57967%0.673SS**SBendtrans-93.6-2.9179.700000114.2N401N401-A404 HydrophobicContact CB-CB 4.27Å
405N41.3Very low52.3Low158 Ų158112.5 Ų112.585%0.84564%0.635SS**  trans-125.723-170-130.65.3000113.8
406R47Very low54.7Low201 Ų201113.3 Ų113.376%0.75863%0.627SS**  trans-84.1108.2161.2-80.5-80171.5149.1-4.4107.3
407K51.8Low57.2Low196 Ų196114.7 Ų114.785%0.85262%0.623SS**PPolyproline II helixtrans-52.6129.2170.9-167173.7-174.7178.30108.2G409K407-G409 PolarHBondContact O-N 3.18Å
408P55.9Low59.9Low61 Ų61110.4 Ų110.440%0.39659%0.593SS.*PPolyproline II helixtrans-55.1131.5-174.9-28.535.6000111.9R430P408-R430 HydrophobicContact CB-CG 4.25Å; P408-R430 HydrophobicContact CG-CG 4.18Å
409G63.7Low62.8Low48 Ų48105.8 Ų105.850%0.49558%0.58SS.*PPolyproline II helixtrans-73.4169.1175.300000111.9K407 L411 R430K407-G409 PolarHBondContact O-N 3.18Å; G409-L411 PolarHBondContact O-N 3.34Å; G409-R430 PolarHBondContact O-NH2 3.29Å
410V70.3Confident65.6Low119 Ų119102.8 Ų102.872%0.72156%0.559SS**PPolyproline II helixtrans-61131.5164179.90000107.9
411L79.8Confident68.2Low7 Ų799.5 Ų99.54%0.03755%0.552CS.*PPolyproline II helixtrans-68.9147.2178-71.9179.8000111G409 L415 E426 R430 L445 F448 Q449G409-L411 PolarHBondContact O-N 3.34Å; L411-L415 HydrophobicContact CD1-CD1 4.46Å; L411-L415 HydrophobicContact CD1-CD2 4.24Å; L411-L415 HydrophobicContact CD2-CD2 4.39Å; L411-E426 HydrophobicContact CD2-CG 3.36Å; L411-R430 VanDerWaalsContact CD2-NH2 3.28Å; L411-L445 HydrophobicContact CD1-CB 3.93Å; L411-L445 HydrophobicContact CD1-CD2 4.17Å; L411-L445 WeakPolarHBondContact CD1-O 3.3Å; L411-L445 HydrophobicContact CD2-CD2 4.45Å; L411-F448 HydrophobicContact CD1-CB 3.71Å; L411-F448 HydrophobicContact CG-CB 4.44Å; L411-Q449 HydrophobicContact CD1-CB 4.38Å
412P76.4Confident70.8Confident62 Ų6297.3 Ų97.340%0.40354%0.538SS..PPolyproline II helixtrans-61.4144.9169.127.8-34000110.4N414 M418 Q449P412-N414 PolarHBondContact O-N 3Å; P412-M418 HydrophobicContact CG-CG 4.11Å; P412-M418 HydrophobicContact CG-SD 3.53Å; P412-M418 VanDerWaalsContact CG-SD 3.53Å; P412-Q449 PolarHBondContact O-NE2 2.69Å
413A72.5Confident73.5Confident99 Ų9988.9 Ų88.982%0.81849%0.494SS*.SBendtrans-64-8.6176.600000113.7Q449A413-Q449 PolarHBondContact O-NE2 3.32Å
414N81.3Confident75.8Confident61 Ų6186 Ų8633%0.32648%0.475SS..  trans-122.897175.2-165.3-32.2000110.8P412 D416 E417P412-N414 PolarHBondContact O-N 3Å; N414-D416 PolarHBondContact OD1-N 3.17Å; N414-E417 VanDerWaalsContact CG-CD 3.49Å; N414-E417 PolarHBondContact ND2-OE1 2.86Å; N414-E417 PolarHBondContact OD1-N 3.17Å
415L87.4Confident78.2Confident2 Ų286.6 Ų86.61%0.0147%0.468CS..THydrogen-bonded Turntrans-83.4-21.3174.2-69.8168.5000112L411 E417 M418 L423 I442 L445 K446 Q449L411-L415 HydrophobicContact CD1-CD1 4.46Å; L411-L415 HydrophobicContact CD1-CD2 4.24Å; L411-L415 HydrophobicContact CD2-CD2 4.39Å; L415-E417 VanDerWaalsContact C-N 3.29Å; L415-E417 PolarHBondContact O-N 2.93Å; L415-M418 HydrophobicContact CD2-SD 3.67Å; L415-M418 PolarHBondContact O-N 2.89Å; L415-L423 HydrophobicContact CB-CD2 4.47Å; L415-L423 HydrophobicContact CD2-CD2 4.18Å; L415-I442 HydrophobicContact CB-CB 4.4Å; L415-I442 HydrophobicContact CB-CG1 4.09Å; L415-I442 HydrophobicContact CB-CG2 3.72Å; L415-I442 HydrophobicContact CD1-CG2 4.22Å; L415-I442 WeakPolarHBondContact O-CD1 3.37Å; L415-L445 HydrophobicContact CD1-CB 3.79Å; L415-L445 HydrophobicContact CD2-CB 4.1Å; L415-L445 HydrophobicContact CD2-CD1 4.14Å; L415-K446 HydrophobicContact CD1-CG 4.33Å; L415-Q449 HydrophobicContact CD1-CB 4.34Å; L415-Q449 HydrophobicContact CD1-CG 4.45Å
416D88.3Confident80.6Confident105 Ų10580.6 Ų80.656%0.56144%0.435SS*.THydrogen-bonded Turntrans-71.3-20.9178.3-74.6-68.9000113.3N414 K438 I442N414-D416 PolarHBondContact OD1-N 3.17Å; D416-K438 PolarHBondContact O-NZ 3.46Å; D416-I442 HydrophobicContact CB-CD1 4.48Å; D416-I442 WeakPolarHBondContact OD1-CD1 3.49Å
417E87.1Confident82.8Confident152 Ų15271 Ų7171%0.7140%0.399SS*.THydrogen-bonded Turntrans-84-33.1172.5-78.9168.2-161.800113.3N414 L415N414-E417 VanDerWaalsContact CG-CD 3.49Å; N414-E417 PolarHBondContact ND2-OE1 2.86Å; N414-E417 PolarHBondContact OD1-N 3.17Å; L415-E417 VanDerWaalsContact C-N 3.29Å; L415-E417 PolarHBondContact O-N 2.93Å
418M86.8Confident84.9Confident27 Ų2768.7 Ų68.713%0.13339%0.389CS..SBendtrans-55.5142.8179.5-70.3-176.76900112.2P412 L415 E422 L423 E426 K438P412-M418 HydrophobicContact CG-CG 4.11Å; P412-M418 HydrophobicContact CG-SD 3.53Å; P412-M418 VanDerWaalsContact CG-SD 3.53Å; L415-M418 HydrophobicContact CD2-SD 3.67Å; L415-M418 PolarHBondContact O-N 2.89Å; M418-E422 HydrophobicContact CB-CB 4.49Å; M418-E422 HydrophobicContact CE-CB 3.71Å; M418-L423 HydrophobicContact CB-CD2 3.86Å; M418-L423 HydrophobicContact CB-CG 3.86Å; M418-L423 HydrophobicContact SD-CD2 4.18Å; M418-E426 HydrophobicContact CE-CB 4.29Å; M418-E426 HydrophobicContact CE-CG 4.38Å; M418-K438 WeakPolarHBondContact O-CE 3.18Å; M418-K438 PolarHBondContact O-NZ 3.3Å
419K93Very high86.6Confident141 Ų14168.2 Ų68.261%0.61338%0.383SS*.  trans-73.4153.7177.7-64.5179.8-177167.20111A421 E422 L423K419-A421 PolarHBondContact O-N 3.36Å; K419-A421 VanDerWaalsContact O-N 3.09Å; K419-E422 HydrophobicContact CB-CG 4.31Å; K419-E422 WeakPolarHBondContact CD-OE1 3.37Å; K419-E422 PolarHBondContact N-OE2 2.95Å; K419-E422 WeakPolarHBondContact O-CB 3.48Å; K419-E422 PolarHBondContact O-N 2.84Å; K419-L423 WeakPolarHBondContact O-CG 3.41Å; K419-L423 PolarHBondContact O-N 2.74Å
420V92.3Very high87.7Confident60 Ų6068 Ų6836%0.36437%0.367SS..Hα-helixtrans-54.5-31.4175.8170.50000112.6K424 K438 L441V420-K424 HydrophobicContact CG1-CD 4.26Å; V420-K424 WeakPolarHBondContact O-CB 3.3Å; V420-K424 WeakPolarHBondContact O-CG 3.25Å; V420-K424 PolarHBondContact O-N 2.85Å; V420-K424 VanDerWaalsContact O-N 3.12Å; V420-K438 HydrophobicContact CG2-CB 3.98Å; V420-K438 HydrophobicContact CG2-CD 4.33Å; V420-K438 HydrophobicContact CG2-CG 3.91Å; V420-L441 HydrophobicContact CG1-CD1 3.81Å
421A92.6Very high88.6Confident77 Ų7765.8 Ų65.864%0.63637%0.368SS*.Hα-helixtrans-70.4-40.4174.400000112.9K419 K424 L425K419-A421 PolarHBondContact O-N 3.36Å; K419-A421 VanDerWaalsContact O-N 3.09Å; A421-K424 PolarHBondContact O-N 3.14Å; A421-L425 WeakPolarHBondContact O-CB 3.41Å; A421-L425 PolarHBondContact O-N 3.19Å
422E92.6Very high89.2Confident80 Ų8067.4 Ų67.437%0.37438%0.377SS..Hα-helixtrans-69.9-46.7177.9-65.8148.3-156.900110.2M418 K419 K424 L425 E426M418-E422 HydrophobicContact CB-CB 4.49Å; M418-E422 HydrophobicContact CE-CB 3.71Å; K419-E422 HydrophobicContact CB-CG 4.31Å; K419-E422 WeakPolarHBondContact CD-OE1 3.37Å; K419-E422 PolarHBondContact N-OE2 2.95Å; K419-E422 WeakPolarHBondContact O-CB 3.48Å; K419-E422 PolarHBondContact O-N 2.84Å; E422-K424 VanDerWaalsContact C-N 3.29Å; E422-K424 PolarHBondContact O-N 3.26Å; E422-L425 WeakPolarHBondContact O-CB 3.38Å; E422-L425 PolarHBondContact O-N 3.28Å; E422-E426 VanDerWaalsContact O-CB 3.28Å; E422-E426 WeakPolarHBondContact O-CB 3.36Å; E422-E426 PolarHBondContact O-N 3.37Å
423L94Very high89.9Confident0 Ų067.9 Ų67.90%038%0.38CS..Hα-helixtrans-55.2-43.8173.5-66.1164.5000111.4L415 M418 K419 E426 L427 K438 L441 I442 L445L415-L423 HydrophobicContact CB-CD2 4.47Å; L415-L423 HydrophobicContact CD2-CD2 4.18Å; M418-L423 HydrophobicContact CB-CD2 3.86Å; M418-L423 HydrophobicContact CB-CG 3.86Å; M418-L423 HydrophobicContact SD-CD2 4.18Å; K419-L423 WeakPolarHBondContact O-CG 3.41Å; K419-L423 PolarHBondContact O-N 2.74Å; L423-E426 PolarHBondContact O-N 3.27Å; L423-L427 WeakPolarHBondContact O-CB 3.3Å; L423-L427 WeakPolarHBondContact O-CD1 3.43Å; L423-L427 WeakPolarHBondContact O-CG 3.15Å; L423-L427 PolarHBondContact O-N 3.49Å; L423-K438 HydrophobicContact CD1-CD 4.43Å; L423-K438 HydrophobicContact CD1-CG 3.76Å; L423-L441 HydrophobicContact CB-CB 4.08Å; L423-L441 HydrophobicContact CD1-CB 4.42Å; L423-I442 HydrophobicContact CD1-CD1 4.22Å; L423-I442 HydrophobicContact CD1-CG1 3.75Å; L423-I442 HydrophobicContact CD2-CG1 3.79Å; L423-I442 HydrophobicContact CG-CG1 4.45Å; L423-L445 HydrophobicContact CB-CD1 4.33Å; L423-L445 HydrophobicContact CD2-CD1 3.59Å
424K94.3Very high90.9Very high79 Ų7966.1 Ų66.134%0.34336%0.359SS..Hα-helixtrans-68.2-33.6175.4-75-179.8-175.7-167.20113.7V420 A421 E422 K428 V434 L441V420-K424 HydrophobicContact CG1-CD 4.26Å; V420-K424 WeakPolarHBondContact O-CB 3.3Å; V420-K424 WeakPolarHBondContact O-CG 3.25Å; V420-K424 PolarHBondContact O-N 2.85Å; V420-K424 VanDerWaalsContact O-N 3.12Å; A421-K424 PolarHBondContact O-N 3.14Å; E422-K424 VanDerWaalsContact C-N 3.29Å; E422-K424 PolarHBondContact O-N 3.26Å; K424-K428 VanDerWaalsContact O-CB 3.3Å; K424-K428 WeakPolarHBondContact O-CB 3.44Å; K424-K428 PolarHBondContact O-N 2.85Å; K424-K428 VanDerWaalsContact O-N 3.11Å; K424-V434 HydrophobicContact CB-CB 4.31Å; K424-V434 WeakPolarHBondContact CD-O 3.49Å; K424-V434 WeakPolarHBondContact CE-O 3.39Å; K424-V434 HydrophobicContact CG-CB 4.16Å; K424-V434 WeakPolarHBondContact O-CG1 3.47Å; K424-L441 HydrophobicContact CD-CD1 4.45Å; K424-L441 HydrophobicContact CG-CD1 4.03Å; K424-L441 HydrophobicContact CG-CD2 3.68Å
425L93.8Very high91.3Very high83 Ų8367.2 Ų67.244%0.43537%0.371SS..Hα-helixtrans-65.5-45.1172.5177.262.2000110.6A421 E422 K428 L429A421-L425 WeakPolarHBondContact O-CB 3.41Å; A421-L425 PolarHBondContact O-N 3.19Å; E422-L425 WeakPolarHBondContact O-CB 3.38Å; E422-L425 PolarHBondContact O-N 3.28Å; L425-K428 WeakPolarHBondContact O-CB 3.38Å; L425-K428 PolarHBondContact O-N 2.95Å; L425-K428 VanDerWaalsContact O-N 3.16Å; L425-L429 HydrophobicContact CG-CD1 4.31Å; L425-L429 WeakPolarHBondContact O-CG 3.39Å; L425-L429 PolarHBondContact O-N 3.41Å
426E92Very high91.4Very high32 Ų3268.9 Ų68.915%0.1539%0.389CS..Hα-helixtrans-73.1-33.9-173.6-157.657.3-153.100112.4L411 M418 E422 L423 R430 L445L411-E426 HydrophobicContact CD2-CG 3.36Å; M418-E426 HydrophobicContact CE-CB 4.29Å; M418-E426 HydrophobicContact CE-CG 4.38Å; E422-E426 VanDerWaalsContact O-CB 3.28Å; E422-E426 WeakPolarHBondContact O-CB 3.36Å; E422-E426 PolarHBondContact O-N 3.37Å; L423-E426 PolarHBondContact O-N 3.27Å; E426-R430 VanDerWaalsContact CG-NH1 3.3Å; E426-R430 PolarHBondContact O-N 3.48Å; E426-R430 PolarHBondContact O-NH1 2.93Å; E426-R430 IonicContact OE1-CZ 3.18Å; E426-R430 IonicContact OE1-NH1 3.64Å; E426-R430 PolarHBondContact OE1-NH1 3.02Å; E426-R430 IonicContact OE1-NH2 2.75Å; E426-R430 PolarHBondContact OE1-NH2 3.44Å; E426-L445 HydrophobicContact CB-CD1 4.23Å; E426-L445 HydrophobicContact CB-CD2 4.46Å; E426-L445 HydrophobicContact CG-CD1 4.49Å; E426-L445 HydrophobicContact CG-CD2 4.33Å
427L94Very high91.7Very high0 Ų068.2 Ų68.20%039%0.388CS..Hα-helixtrans-63.5-46.8164.9-74162.5000111.5L423 L429 R430 G431 L432 V434 L441 R444 L445L423-L427 WeakPolarHBondContact O-CB 3.3Å; L423-L427 WeakPolarHBondContact O-CD1 3.43Å; L423-L427 WeakPolarHBondContact O-CG 3.15Å; L423-L427 PolarHBondContact O-N 3.49Å; L427-L429 VanDerWaalsContact C-N 3.29Å; L427-L429 PolarHBondContact O-N 2.9Å; L427-R430 CarbonylContact O-C 3.6Å; L427-R430 WeakPolarHBondContact O-CA 3.43Å; L427-R430 PolarHBondContact O-N 3.19Å; L427-G431 PolarHBondContact O-N 3.45Å; L427-L432 HydrophobicContact CB-CB 4.12Å; L427-L432 HydrophobicContact CD2-CB 3.52Å; L427-L432 HydrophobicContact CD2-CD1 3.74Å; L427-L432 HydrophobicContact CD2-CG 4.29Å; L427-L432 HydrophobicContact CG-CB 4.44Å; L427-L432 PolarHBondContact O-N 3.41Å; L427-V434 HydrophobicContact CB-CG1 3.98Å; L427-L441 HydrophobicContact CD1-CB 3.92Å; L427-L441 HydrophobicContact CD1-CD2 3.31Å; L427-L441 HydrophobicContact CD1-CG 4.21Å; L427-R444 HydrophobicContact CD2-CB 3.63Å; L427-L445 HydrophobicContact CD2-CD1 4.48Å; L427-L445 HydrophobicContact CD2-CD2 3.85Å; L427-L445 HydrophobicContact CD2-CG 3.73Å; L427-L445 HydrophobicContact CG-CD1 4.08Å; L427-L445 HydrophobicContact CG-CD2 3.99Å; L427-L445 HydrophobicContact CG-CG 3.85Å
428K94.7Very high92Very high147 Ų14764.5 Ų64.564%0.63937%0.37SS*.Hα-helixtrans-62.9-34.5179.2-165.6173.566.3177.20112.4K424 L425 R430 G431 V434K424-K428 VanDerWaalsContact O-CB 3.3Å; K424-K428 WeakPolarHBondContact O-CB 3.44Å; K424-K428 PolarHBondContact O-N 2.85Å; K424-K428 VanDerWaalsContact O-N 3.11Å; L425-K428 WeakPolarHBondContact O-CB 3.38Å; L425-K428 PolarHBondContact O-N 2.95Å; L425-K428 VanDerWaalsContact O-N 3.16Å; K428-R430 VanDerWaalsContact C-N 3.27Å; K428-R430 PolarHBondContact O-N 2.86Å; K428-G431 PolarHBondContact O-N 2.87Å; K428-V434 HydrophobicContact CB-CG1 4.01Å
429L91.1Very high92.3Very high52 Ų5267.7 Ų67.727%0.27239%0.391SS..Hα-helixtrans-67.9-23172.8-73.3171.5000113.3L425 L427L425-L429 HydrophobicContact CG-CD1 4.31Å; L425-L429 WeakPolarHBondContact O-CG 3.39Å; L425-L429 PolarHBondContact O-N 3.41Å; L427-L429 VanDerWaalsContact C-N 3.29Å; L427-L429 PolarHBondContact O-N 2.9Å
430R88.1Confident92.4Very high43 Ų4363.3 Ų63.316%0.16238%0.375CS..THydrogen-bonded Turntrans-96.72173.1-77.8165.1-166.567.9-0.7113.9P408 G409 L411 E426 L427 K428 L432P408-R430 HydrophobicContact CB-CG 4.25Å; P408-R430 HydrophobicContact CG-CG 4.18Å; G409-R430 PolarHBondContact O-NH2 3.29Å; L411-R430 VanDerWaalsContact CD2-NH2 3.28Å; E426-R430 VanDerWaalsContact CG-NH1 3.3Å; E426-R430 PolarHBondContact O-N 3.48Å; E426-R430 PolarHBondContact O-NH1 2.93Å; E426-R430 IonicContact OE1-CZ 3.18Å; E426-R430 IonicContact OE1-NH1 3.64Å; E426-R430 PolarHBondContact OE1-NH1 3.02Å; E426-R430 IonicContact OE1-NH2 2.75Å; E426-R430 PolarHBondContact OE1-NH2 3.44Å; L427-R430 CarbonylContact O-C 3.6Å; L427-R430 WeakPolarHBondContact O-CA 3.43Å; L427-R430 PolarHBondContact O-N 3.19Å; K428-R430 VanDerWaalsContact C-N 3.27Å; K428-R430 PolarHBondContact O-N 2.86Å; R430-L432 HydrophobicContact CB-CD1 3.62Å; R430-L432 HydrophobicContact CB-CG 3.86Å; R430-L432 HydrophobicContact CG-CD1 4.5Å; R430-L432 PolarHBondContact O-N 3.46Å
431G89.4Confident92.6Very high72 Ų7260.5 Ų60.574%0.74236%0.357SS*.THydrogen-bonded Turntrans70.214.4-175.200000114.6L427 K428L427-G431 PolarHBondContact O-N 3.45Å; K428-G431 PolarHBondContact O-N 2.87Å
432L91.8Very high92.6Very high42 Ų4257.1 Ų57.122%0.2233%0.329CS..  trans-86.1151.6-177.3-63166.1000111.3L427 R430 V434 R444 L445 F448L427-L432 HydrophobicContact CB-CB 4.12Å; L427-L432 HydrophobicContact CD2-CB 3.52Å; L427-L432 HydrophobicContact CD2-CD1 3.74Å; L427-L432 HydrophobicContact CD2-CG 4.29Å; L427-L432 HydrophobicContact CG-CB 4.44Å; L427-L432 PolarHBondContact O-N 3.41Å; R430-L432 HydrophobicContact CB-CD1 3.62Å; R430-L432 HydrophobicContact CB-CG 3.86Å; R430-L432 HydrophobicContact CG-CD1 4.5Å; R430-L432 PolarHBondContact O-N 3.46Å; L432-V434 PolarHBondContact O-N 2.93Å; L432-R444 WeakPolarHBondContact CD1-O 3.26Å; L432-L445 HydrophobicContact CD1-CD2 4.47Å; L432-F448 HydrophobicContact CD1-CD2 4.14Å; L432-F448 HydrophobicContact CD1-CE2 3.58Å; L432-F448 HydrophobicContact CD1-CZ 4.17Å; L432-F448 HydrophobicContact CD2-CE2 4.42Å
433P91.5Very high92.6Very high72 Ų7259.6 Ų59.647%0.46834%0.34SS..  trans-64.2134.7-178.924.2-32.3000112.3R444P433-R444 PolarHBondContact O-NH1 3.49Å
434V92.2Very high92.6Very high61 Ų6161.9 Ų61.937%0.3735%0.349SS..  trans-101.714.5-172-60.10000114.1K424 L427 K428 L432K424-V434 HydrophobicContact CB-CB 4.31Å; K424-V434 WeakPolarHBondContact CD-O 3.49Å; K424-V434 WeakPolarHBondContact CE-O 3.39Å; K424-V434 HydrophobicContact CG-CB 4.16Å; K424-V434 WeakPolarHBondContact O-CG1 3.47Å; L427-V434 HydrophobicContact CB-CG1 3.98Å; K428-V434 HydrophobicContact CB-CG1 4.01Å; L432-V434 PolarHBondContact O-N 2.93Å
435S89.4Confident92.4Very high84 Ų8458.1 Ų58.159%0.58733%0.332SS*.  trans-106.3119.3-178.2520000110.2D440 R444S435-D440 VanDerWaalsContact O-OD2 3.06Å; S435-R444 PolarHBondContact O-NH1 3.35Å; S435-R444 PolarHBondContact O-NH2 3.5Å; S435-R444 VanDerWaalsContact O-NH2 3.1Å
436G91.3Very high92.2Very high37 Ų3759.9 Ų59.938%0.38134%0.336SS..SBendtrans171.1171.7-174.700000114.9D440G436-D440 WeakPolarHBondContact CA-OD2 3.27Å
437T93.4Very high91.8Very high91 Ų9162.1 Ų62.156%0.55835%0.354SS*.  trans-70.6170.515854.30000110.3T439 D440 L441T437-T439 PolarHBondContact O-N 3.44Å; T437-T439 PolarHBondContact OG1-OG1 2.85Å; T437-D440 PolarHBondContact O-N 2.87Å; T437-D440 PolarHBondContact OG1-N 3.46Å; T437-L441 WeakPolarHBondContact O-CD1 3.39Å; T437-L441 WeakPolarHBondContact O-CG 3.18Å; T437-L441 PolarHBondContact O-N 2.88Å
438K94.4Very high91Very high75 Ų7566.5 Ų66.533%0.32637%0.373SS..Hα-helixtrans-56.1-41.3175.6-166.1-178-175.7177.80111.9D416 M418 V420 L423 L441 I442D416-K438 PolarHBondContact O-NZ 3.46Å; M418-K438 WeakPolarHBondContact O-CE 3.18Å; M418-K438 PolarHBondContact O-NZ 3.3Å; V420-K438 HydrophobicContact CG2-CB 3.98Å; V420-K438 HydrophobicContact CG2-CD 4.33Å; V420-K438 HydrophobicContact CG2-CG 3.91Å; L423-K438 HydrophobicContact CD1-CD 4.43Å; L423-K438 HydrophobicContact CD1-CG 3.76Å; K438-L441 PolarHBondContact O-N 2.93Å; K438-I442 HydrophobicContact CD-CD1 4.34Å; K438-I442 HydrophobicContact CG-CD1 3.92Å; K438-I442 VanDerWaalsContact O-CG1 3.3Å; K438-I442 WeakPolarHBondContact O-CG1 3.45Å; K438-I442 PolarHBondContact O-N 2.98Å
439T93.3Very high90.1Very high93 Ų9361.6 Ų61.657%0.57135%0.353SS*.Hα-helixtrans-61.6-50.9179.250.10000112.7T437 L441 I442 E443T437-T439 PolarHBondContact O-N 3.44Å; T437-T439 PolarHBondContact OG1-OG1 2.85Å; T439-L441 VanDerWaalsContact C-N 3.26Å; T439-L441 PolarHBondContact O-N 3.22Å; T439-I442 CarbonylContact O-C 3.59Å; T439-I442 WeakPolarHBondContact O-CA 3.37Å; T439-I442 WeakPolarHBondContact O-CB 3.45Å; T439-I442 PolarHBondContact O-N 3.34Å; T439-E443 WeakPolarHBondContact O-CB 3.38Å; T439-E443 PolarHBondContact O-N 3.28Å
440D94.7Very high88.4Confident50 Ų5066.9 Ų66.927%0.26738%0.376SS..Hα-helixtrans-64.2-28.9177.3166.241.8000112.2S435 G436 T437 R444S435-D440 VanDerWaalsContact O-OD2 3.06Å; G436-D440 WeakPolarHBondContact CA-OD2 3.27Å; T437-D440 PolarHBondContact O-N 2.87Å; T437-D440 PolarHBondContact OG1-N 3.46Å; D440-R444 VanDerWaalsContact C-NH2 3.27Å; D440-R444 VanDerWaalsContact O-CZ 3.31Å; D440-R444 PolarHBondContact O-N 2.84Å; D440-R444 PolarHBondContact O-NE 3.25Å; D440-R444 PolarHBondContact O-NH2 3.25Å; D440-R444 VanDerWaalsContact O-NH2 3.07Å; D440-R444 IonicContact OD1-CZ 2.81Å; D440-R444 IonicContact OD1-NE 3.24Å; D440-R444 PolarHBondContact OD1-NE 2.86Å; D440-R444 IonicContact OD1-NH1 3.12Å; D440-R444 PolarHBondContact OD1-NH1 3.03Å; D440-R444 IonicContact OD1-NH2 2.98Å; D440-R444 PolarHBondContact OD1-NH2 3.25Å; D440-R444 VanDerWaalsContact OD1-NH2 3.12Å; D440-R444 IonicContact OD2-CZ 2.7Å; D440-R444 IonicContact OD2-NH1 2.71Å; D440-R444 PolarHBondContact OD2-NH1 3.11Å; D440-R444 IonicContact OD2-NH2 3.21Å; D440-R444 PolarHBondContact OD2-NH2 2.79Å
441L95.2Very high86.8Confident0 Ų071.9 Ų71.90%041%0.406CS..Hα-helixtrans-71.1-33.6171.6-63.1162.3000112.4V420 L423 K424 L427 T437 K438 T439V420-L441 HydrophobicContact CG1-CD1 3.81Å; L423-L441 HydrophobicContact CB-CB 4.08Å; L423-L441 HydrophobicContact CD1-CB 4.42Å; K424-L441 HydrophobicContact CD-CD1 4.45Å; K424-L441 HydrophobicContact CG-CD1 4.03Å; K424-L441 HydrophobicContact CG-CD2 3.68Å; L427-L441 HydrophobicContact CD1-CB 3.92Å; L427-L441 HydrophobicContact CD1-CD2 3.31Å; L427-L441 HydrophobicContact CD1-CG 4.21Å; T437-L441 WeakPolarHBondContact O-CD1 3.39Å; T437-L441 WeakPolarHBondContact O-CG 3.18Å; T437-L441 PolarHBondContact O-N 2.88Å; K438-L441 PolarHBondContact O-N 2.93Å; T439-L441 VanDerWaalsContact C-N 3.26Å; T439-L441 PolarHBondContact O-N 3.22Å
442I93.3Very high84.9Confident7 Ų772.2 Ų72.24%0.03640%0.397CS..Hα-helixtrans-76.8-42.5176.1-69.9166.7000111.4L415 D416 L423 K438 T439 R444 L445 K446L415-I442 HydrophobicContact CB-CB 4.4Å; L415-I442 HydrophobicContact CB-CG1 4.09Å; L415-I442 HydrophobicContact CB-CG2 3.72Å; L415-I442 HydrophobicContact CD1-CG2 4.22Å; L415-I442 WeakPolarHBondContact O-CD1 3.37Å; D416-I442 HydrophobicContact CB-CD1 4.48Å; D416-I442 WeakPolarHBondContact OD1-CD1 3.49Å; L423-I442 HydrophobicContact CD1-CD1 4.22Å; L423-I442 HydrophobicContact CD1-CG1 3.75Å; L423-I442 HydrophobicContact CD2-CG1 3.79Å; L423-I442 HydrophobicContact CG-CG1 4.45Å; K438-I442 HydrophobicContact CD-CD1 4.34Å; K438-I442 HydrophobicContact CG-CD1 3.92Å; K438-I442 VanDerWaalsContact O-CG1 3.3Å; K438-I442 WeakPolarHBondContact O-CG1 3.45Å; K438-I442 PolarHBondContact O-N 2.98Å; T439-I442 CarbonylContact O-C 3.59Å; T439-I442 WeakPolarHBondContact O-CA 3.37Å; T439-I442 WeakPolarHBondContact O-CB 3.45Å; T439-I442 PolarHBondContact O-N 3.34Å; I442-R444 VanDerWaalsContact C-N 3.3Å; I442-R444 PolarHBondContact O-N 3.24Å; I442-L445 CarbonylContact O-C 3.6Å; I442-L445 WeakPolarHBondContact O-CA 3.42Å; I442-L445 PolarHBondContact O-N 2.97Å; I442-K446 PolarHBondContact O-N 3.22Å
443E92.9Very high82.6Confident132 Ų13274.9 Ų74.962%0.61742%0.419SS*.Hα-helixtrans-59.4-40-178-173.6170-172.200111.8T439 L445 P447T439-E443 WeakPolarHBondContact O-CB 3.38Å; T439-E443 PolarHBondContact O-N 3.28Å; E443-L445 VanDerWaalsContact C-N 3.28Å; E443-L445 PolarHBondContact O-N 2.98Å; E443-P447 VanDerWaalsContact O-CD 3.26Å; E443-P447 WeakPolarHBondContact O-CD 3.25Å
444R93.8Very high79.9Confident47 Ų4779.6 Ų79.618%0.17744%0.439CS..THydrogen-bonded Turntrans-72.3-15.5172.6-71.9174.3-66.4-150.8-2.2114.4L427 L432 P433 S435 D440 I442L427-R444 HydrophobicContact CD2-CB 3.63Å; L432-R444 WeakPolarHBondContact CD1-O 3.26Å; P433-R444 PolarHBondContact O-NH1 3.49Å; S435-R444 PolarHBondContact O-NH1 3.35Å; S435-R444 PolarHBondContact O-NH2 3.5Å; S435-R444 VanDerWaalsContact O-NH2 3.1Å; D440-R444 VanDerWaalsContact C-NH2 3.27Å; D440-R444 VanDerWaalsContact O-CZ 3.31Å; D440-R444 PolarHBondContact O-N 2.84Å; D440-R444 PolarHBondContact O-NE 3.25Å; D440-R444 PolarHBondContact O-NH2 3.25Å; D440-R444 VanDerWaalsContact O-NH2 3.07Å; D440-R444 IonicContact OD1-CZ 2.81Å; D440-R444 IonicContact OD1-NE 3.24Å; D440-R444 PolarHBondContact OD1-NE 2.86Å; D440-R444 IonicContact OD1-NH1 3.12Å; D440-R444 PolarHBondContact OD1-NH1 3.03Å; D440-R444 IonicContact OD1-NH2 2.98Å; D440-R444 PolarHBondContact OD1-NH2 3.25Å; D440-R444 VanDerWaalsContact OD1-NH2 3.12Å; D440-R444 IonicContact OD2-CZ 2.7Å; D440-R444 IonicContact OD2-NH1 2.71Å; D440-R444 PolarHBondContact OD2-NH1 3.11Å; D440-R444 IonicContact OD2-NH2 3.21Å; D440-R444 PolarHBondContact OD2-NH2 2.79Å; I442-R444 VanDerWaalsContact C-N 3.3Å; I442-R444 PolarHBondContact O-N 3.24Å
445L91.2Very high77.5Confident0 Ų083 Ų830%046%0.462CS..THydrogen-bonded Turntrans-94.7-25.6175.2-74.2173.9000113.1L411 L415 L423 E426 L427 L432 I442 E443 P447 F448L411-L445 HydrophobicContact CD1-CB 3.93Å; L411-L445 HydrophobicContact CD1-CD2 4.17Å; L411-L445 WeakPolarHBondContact CD1-O 3.3Å; L411-L445 HydrophobicContact CD2-CD2 4.45Å; L415-L445 HydrophobicContact CD1-CB 3.79Å; L415-L445 HydrophobicContact CD2-CB 4.1Å; L415-L445 HydrophobicContact CD2-CD1 4.14Å; L423-L445 HydrophobicContact CB-CD1 4.33Å; L423-L445 HydrophobicContact CD2-CD1 3.59Å; E426-L445 HydrophobicContact CB-CD1 4.23Å; E426-L445 HydrophobicContact CB-CD2 4.46Å; E426-L445 HydrophobicContact CG-CD1 4.49Å; E426-L445 HydrophobicContact CG-CD2 4.33Å; L427-L445 HydrophobicContact CD2-CD1 4.48Å; L427-L445 HydrophobicContact CD2-CD2 3.85Å; L427-L445 HydrophobicContact CD2-CG 3.73Å; L427-L445 HydrophobicContact CG-CD1 4.08Å; L427-L445 HydrophobicContact CG-CD2 3.99Å; L427-L445 HydrophobicContact CG-CG 3.85Å; L432-L445 HydrophobicContact CD1-CD2 4.47Å; I442-L445 CarbonylContact O-C 3.6Å; I442-L445 WeakPolarHBondContact O-CA 3.42Å; I442-L445 PolarHBondContact O-N 2.97Å; E443-L445 VanDerWaalsContact C-N 3.28Å; E443-L445 PolarHBondContact O-N 2.98Å; L445-P447 VanDerWaalsContact C-CD 3.48Å; L445-F448 PolarHBondContact O-N 3.45Å
446K88.6Confident74.7Confident120 Ų12083.4 Ų83.452%0.52247%0.471SS..G310 helixtrans-49.1-43176.4-87.4-169.2171.2-172.50114.8L415 I442 F448 Q449L415-K446 HydrophobicContact CD1-CG 4.33Å; I442-K446 PolarHBondContact O-N 3.22Å; K446-F448 PolarHBondContact O-N 3.22Å; K446-Q449 VanDerWaalsContact O-CB 3.3Å; K446-Q449 WeakPolarHBondContact O-CB 3.43Å; K446-Q449 PolarHBondContact O-N 2.82Å
447P83.4Confident72.4Confident80 Ų8087.6 Ų87.652%0.51949%0.492SS..G310 helixtrans-60.6-11.5176.8-26.335.7000115.3E443 L445E443-P447 VanDerWaalsContact O-CD 3.26Å; E443-P447 WeakPolarHBondContact O-CD 3.25Å; L445-P447 VanDerWaalsContact C-CD 3.48Å
448F77.8Confident70.3Confident91 Ų9189.8 Ų89.840%0.39951%0.508SS..G310 helixtrans-1109.3177.6-56.6-92.4000112.4L411 L432 L445 K446L411-F448 HydrophobicContact CD1-CB 3.71Å; L411-F448 HydrophobicContact CG-CB 4.44Å; L432-F448 HydrophobicContact CD1-CD2 4.14Å; L432-F448 HydrophobicContact CD1-CE2 3.58Å; L432-F448 HydrophobicContact CD1-CZ 4.17Å; L432-F448 HydrophobicContact CD2-CE2 4.42Å; L445-F448 PolarHBondContact O-N 3.45Å; K446-F448 PolarHBondContact O-N 3.22Å
449Q76.1Confident67.3Low45 Ų4589.9 Ų89.921%0.2153%0.53CS..THydrogen-bonded Turntrans-105.5-33.8180-169-175.74600111.8L411 P412 A413 L415 K446 N451L411-Q449 HydrophobicContact CD1-CB 4.38Å; P412-Q449 PolarHBondContact O-NE2 2.69Å; A413-Q449 PolarHBondContact O-NE2 3.32Å; L415-Q449 HydrophobicContact CD1-CB 4.34Å; L415-Q449 HydrophobicContact CD1-CG 4.45Å; K446-Q449 VanDerWaalsContact O-CB 3.3Å; K446-Q449 WeakPolarHBondContact O-CB 3.43Å; K446-Q449 PolarHBondContact O-N 2.82Å; Q449-N451 VanDerWaalsContact C-N 3.27Å; Q449-N451 PolarHBondContact O-N 3.17Å
450E53.9Low64.6Low163 Ų16392.3 Ų92.376%0.76254%0.544SS*.G310 helixtrans-67.4-21.8-171.2-161168.8-173.800114S452E450-S452 PolarHBondContact O-N 2.99Å
451N54.6Low62.5Low147 Ų14795.1 Ų95.179%0.78657%0.565SS**G310 helixtrans-69.48.4179.1-61.988.2000115.6Q449Q449-N451 VanDerWaalsContact C-N 3.27Å; Q449-N451 PolarHBondContact O-N 3.17Å
452S51.2Low59.3Low80 Ų80100.9 Ų100.956%0.55960%0.6SS**G310 helixtrans-112.35.5-167.9-165.30000116E450E450-S452 PolarHBondContact O-N 2.99Å
453S41.5Very low56Low97 Ų97105.6 Ų105.668%0.67863%0.633SS**  trans-126.380.6-172.558.50000114.8
454L36.1Very low52.8Low172 Ų172105.6 Ų105.690%0.90164%0.642SS**  trans-137.5115.8160.5-77.5176.5000110.1
455P40.5Very low49.7Very low131 Ų131107.8 Ų107.885%0.85167%0.67SS**  trans-86.3142172.533.5-31.9000111.5
456A31.8Very low46.6Very low94 Ų94112.1 Ų112.178%0.77771%0.706SS**  trans-123.6146.2173.800000111.1
457P42Very low43.7Very low124 Ų124111.4 Ų111.481%0.80572%0.716SS**  trans-78.3163.2-177.532.4-35.9000113.4
458P51.1Low41.1Very low138 Ų138111.8 Ų111.890%0.89672%0.721SS**  trans-89.8146.8-166.934.6-36000115.2
459G31.1Very low39.4Very low77 Ų77114.9 Ų114.979%0.79474%0.738SS**  trans-172.5134.8169.700000112.2
460V36.1Very low37.7Very low143 Ų143116.2 Ų116.287%0.86775%0.751SS**  trans-114.8167.9-177.2-72.90000110.9
461P51Low36.5Very low110 Ų110114.2 Ų114.271%0.71474%0.743SS**  cis-131.9-169.4-23.725.8-3.1000112.9
462T26.4Very low35.4Very low120 Ų120113.4 Ų113.474%0.73673%0.734SS**  trans122.7128.3135.2-46.40000118
463C24.4Very low34.3Very low106 Ų106112.6 Ų112.672%0.71673%0.726SS**  trans57116.8156.1-770000124
464T26.5Very low33.7Very low133 Ų133111.9 Ų111.982%0.81672%0.721SS**  81.6133.5124.1-50.20000119.3
465A28.4Very low33.5Very low92 Ų92107.6 Ų107.676%0.7671%0.705SS**  trans-71155.3-17900000113.8
466A26.9Very low33.4Very low92 Ų92106.7 Ų106.776%0.7670%0.702SS**  174.8155.794.600000115.3
467S27.4Very low33.1Very low104 Ų104107 Ų10773%0.72771%0.705SS**  trans79.2140.7138.7-159.20000123.1
468S27.4Very low32.8Very low88 Ų88105.6 Ų105.662%0.61570%0.704SS**  trans64104.7140.851.20000122.5
469M42.1Very low33Very low157 Ų157104.7 Ų104.777%0.77370%0.697SS**  -47.2159.9129.2-46.8-71.987.400110.6
470P42.3Very low32.8Very low72 Ų72105.5 Ų105.547%0.46870%0.697SS.*  -148-134.953.3272.8000117.3N752 Q753P470-N752 WeakPolarHBondContact CB-OD1 3.49Å; P470-N752 VanDerWaalsContact CD-CG 3.45Å; P470-N752 HydrophobicContact CG-CB 3.84Å; P470-N752 VanDerWaalsContact CG-CG 3.49Å; P470-N752 WeakPolarHBondContact CG-OD1 3.48Å; P470-Q753 HydrophobicContact CG-CG 3.39Å
471M28.1Very low32.4Very low121 Ų121105.2 Ų105.260%0.59670%0.695SS**  trans-105.2164.5-136-81.4172.463.600117.2N752M471-N752 PolarHBondContact N-ND2 2.91Å; M471-N752 VanDerWaalsContact N-ND2 3.2Å; M471-N752 PolarHBondContact N-OD1 3.5Å; M471-N752 PolarHBondContact O-ND2 2.89Å
472E30.2Very low31.3Very low131 Ų131106.5 Ų106.561%0.61270%0.701SS**  trans63.3139.7147.2-80.2-171.7125.800120.2
473V28.6Very low31.7Very low62 Ų62108.3 Ų108.338%0.37671%0.705SS.*  -169.3164.256.591.10000117A748V473-A748 HydrophobicContact CG2-CB 3.64Å
474S29.8Very low32.5Very low82 Ų82108.5 Ų108.557%0.57371%0.705SS**  trans50.6-175.7142.253.80000120.6
475S31.3Very low32.5Very low83 Ų83108.1 Ų108.158%0.5870%0.702SS**  -140.8173-54.7-153.70000110.7S746S475-S746 PolarHBondContact OG-O 3.24Å
476S38Very low32.6Very low111 Ų111111 Ų11178%0.77670%0.7SS**  trans-89.5152.1-170.3-1770000115.6
477A27Very low32.7Very low101 Ų101114.6 Ų114.684%0.83570%0.701SS**  trans-157.8154.3162.400000113.1
478A34.8Very low32.6Very low95 Ų95114.4 Ų114.479%0.78571%0.706SS**  trans-161.3-172.6176.300000108.6
479P54.8Low32.6Very low118 Ų118114.7 Ų114.777%0.76671%0.713SS**  cis-136.8-173-10.842.1-24000115.5
480A28.1Very low32.7Very low95 Ų95112.4 Ų112.479%0.78571%0.71SS**  trans73.3143.714900000123
481V27.6Very low31.9Very low137 Ų137115.8 Ų115.883%0.8372%0.72SS**  trans-179.6123.2140141.60000112.8
482V27.9Very low31.9Very low137 Ų137118.8 Ų118.883%0.8372%0.724SS**  trans57.5142.4146.3-177.80000123.3
483L33.9Very low31.8Very low157 Ų157119.7 Ų119.782%0.82273%0.731SS**  trans-98.6166172.9-79.2165.5000112.9
484P42.2Very low31.6Very low111 Ų111122 Ų12272%0.72175%0.748SS**  -149.1157.2108.440.1-25.4000116.7
485V25.8Very low31.4Very low125 Ų125123.8 Ų123.876%0.75876%0.761SS**  trans49.7129.7134.6174.20000118.8
486Q29.5Very low31.5Very low151 Ų151126.1 Ų126.171%0.70677%0.772SS**  cis-161.5164.423.4-142.1161.1-0.500112.1
487Q29.7Very low32.4Very low168 Ų168126.5 Ų126.579%0.78577%0.772SS**  trans38.4139.9148.8-79.5161.3-26.200121.7
488A25.9Very low33Very low100 Ų100126.5 Ų126.583%0.82676%0.763SS**  cis-154.9175.3-0.300000111.2
489A26.4Very low32.6Very low94 Ų94129.5 Ų129.578%0.77777%0.766SS**  trans-109.4-169.5-173.500000110.9
490P43.9Very low31.4Very low109 Ų109129.5 Ų129.571%0.70877%0.769SS**  cis-148.9177.58.647.9-29000119.2
491E26Very low31.7Very low143 Ų143131 Ų13167%0.66877%0.771SS**  trans61.5154.9150.8-54.6-116.3123.100119.9
492R28.6Very low31.8Very low184 Ų184131.5 Ų131.569%0.69477%0.767SS**  cis-157.1148.8-21.5-115.9-168.2-158.6-176.422.8112.6
493M28.1Very low32Very low150 Ų150130.9 Ų130.974%0.73977%0.766SS**  trans28.4134141.8-57.9175.492.500124.3
494C24.3Very low31.7Very low111 Ų111128.8 Ų128.875%0.7576%0.764SS**  trans88.5137.3133.1-83.90000125
495S26.3Very low31.1Very low119 Ų119130.5 Ų130.583%0.83277%0.767SS**  trans89.7151.4143.9-62.60000122.5
496T31.7Very low31.6Very low132 Ų132130.1 Ų130.181%0.8177%0.767SS**  trans-112.4173-169.551.20000113.2
497P57.5Low31.5Very low120 Ų120127.2 Ų127.278%0.77977%0.769SS**  cis-114.2-91.4-17.728.6-6.6000111.3
498P41Very low31.6Very low101 Ų101123.6 Ų123.666%0.65677%0.768SS**  cis-122.7166.8-24.639.6-23.5000116.5
499N25.2Very low31.9Very low158 Ų158126.9 Ų126.985%0.84577%0.771SS**  trans45140.5151-66.7-5.6000124.3
500S29.3Very low32.2Very low118 Ų118130.3 Ų130.383%0.82578%0.775SS**  trans-73.5162.9170.3-34.70000114.4
501P34.9Very low32Very low127 Ų127131.1 Ų131.183%0.82578%0.781SS**  trans-133.5173.3130.138.9-29.8000115.3
502I29.6Very low32Very low147 Ų147131.6 Ų131.675%0.75479%0.788SS**PPolyproline II helixtrans-65.5144.1-179-67.9149.8000113
503P31.3Very low32.1Very low123 Ų123129.3 Ų129.380%0.79979%0.794SS**PPolyproline II helixtrans-87.9134.6157.934.3-29.7000111.4
504S28.8Very low32.3Very low113 Ų113126.9 Ų126.979%0.7979%0.792SS**PPolyproline II helixtrans-98154.8170.4-65.20000111.7
505D29Very low32.9Very low148 Ų148129.5 Ų129.579%0.79180%0.795SS**PPolyproline II helixtrans-79.8140.7179.6-173.522.5000112.9
506P35.6Very low33.3Very low116 Ų116129.5 Ų129.575%0.75380%0.795SS**  trans-121.798165.336-21.3000112.6
507A29.1Very low33.2Very low91 Ų91132.2 Ų132.275%0.75280%0.799SS**  trans-86134.9173.300000112.9
508A30.2Very low32.1Very low92 Ų92131.4 Ų131.476%0.7680%0.802SS**  trans-161.7148.5157.300000113.6
509L33Very low31.6Very low169 Ų169136 Ų13689%0.88582%0.815SS**  trans76.4107.5164.8-52.6-176.9000119.3
510L32.9Very low31.9Very low165 Ų165133.5 Ų133.586%0.86482%0.816SS**  trans-75.2162152.5-60.2170.4000110
511P38.6Very low32.1Very low127 Ų127136.8 Ų136.883%0.82582%0.818SS**  -128.6179.2102.238.4-33000114.3
512D27.9Very low32.8Very low153 Ų153136.5 Ų136.582%0.81882%0.816SS**  trans-92.3179.7-170.1-177.232.7000113.8
513V29.9Very low32.8Very low135 Ų135133 Ų13382%0.81882%0.817SS**  trans92.6152.8172.5-170.30000115.2
514S32.9Very low32.9Very low99 Ų99133.7 Ų133.769%0.69282%0.824SS**  trans-137.1160.5-147-1670000115.1
515M36.2Very low33Very low166 Ų166131.5 Ų131.582%0.81882%0.82SS**  trans78.9141.1164.7-56-62.6-74.500121.3
516S34Very low33.4Very low119 Ų119130.9 Ų130.983%0.83283%0.827SS**  trans100.4152.1150.2-58.20000120.6
517E30.8Very low33.9Very low190 Ų190129.1 Ų129.189%0.88883%0.83SS**  trans-88.5161.8-159.6-58.2164.880.800115.8
518A34.2Very low34.5Very low103 Ų103129.6 Ų129.685%0.85183%0.828SS**  149.2158124.900000115
519E30.2Very low35.3Very low197 Ų197129.9 Ų129.992%0.92182%0.822SS**  trans-60.2145.2-167-59.1170.971.800118.3
520A30.7Very low36Very low106 Ų106126 Ų12688%0.87680%0.799SS**  -171.2153.5118.300000113.3
521Q34.7Very low37.1Very low187 Ų187122 Ų12287%0.87478%0.784SS**  trans-127.4179.1175.6-109.1-164.915.100109.6
522P49.3Very low38.1Very low120 Ų120122.3 Ų122.378%0.77977%0.774SS**  cis-130.4-177.9-13.431.9-11.5000113.6
523G28.5Very low39.9Very low74 Ų74118 Ų11876%0.76375%0.749SS**  trans-176.464.5173.700000121
524S33.6Very low41.4Very low137 Ų137119.4 Ų119.496%0.95874%0.74SS**  trans60.8132.1157-1620000120.8
525G31.7Very low43.3Very low68 Ų68119 Ų11970%0.70173%0.73SS**  trans145.991.2153.400000118.9
526S38.2Very low45.7Very low134 Ų134119 Ų11994%0.93772%0.721SS**  trans60.5153158.7-153.10000119.5
527G46.2Very low48.2Very low80 Ų80120.4 Ų120.483%0.82571%0.707SS**  trans-93.6119.7-170.800000114.8
528S40.9Very low50.8Low101 Ų101116.6 Ų116.671%0.70669%0.693SS**  trans-146.4152.3153.6700000109.9Q530S528-Q530 PolarHBondContact O-N 3.21Å
529P46.3Very low53.2Low98 Ų98117.6 Ų117.664%0.63668%0.679SS**  trans-73.699.6-179.428.9-33.5000110.8
530Q48.7Very low56.1Low86 Ų86113.9 Ų113.940%0.40266%0.662SS.*  trans-49133.6-178.9-135-79.711.100111.8S528 E532 E533S528-Q530 PolarHBondContact O-N 3.21Å; Q530-E532 VanDerWaalsContact C-N 3.25Å; Q530-E532 VanDerWaalsContact CD-CD 3.45Å; Q530-E532 PolarHBondContact NE2-OE1 2.88Å; Q530-E532 PolarHBondContact NE2-OE2 2.87Å; Q530-E532 PolarHBondContact O-N 2.97Å; Q530-E532 VanDerWaalsContact OE1-CB 3.31Å; Q530-E532 VanDerWaalsContact OE1-CG 3.23Å; Q530-E532 PolarHBondContact OE1-OE1 3.41Å; Q530-E533 PolarHBondContact O-N 3.32Å; Q530-E533 VanDerWaalsContact O-N 3.17Å
531P55.8Low58.9Low83 Ų83114.7 Ų114.754%0.53965%0.646SS.*Hα-helixtrans-54.7-34.2-178.819.9-33.6000114.7E533 R534 D535P531-E533 PolarHBondContact O-N 2.85Å; P531-E533 VanDerWaalsContact O-N 3.17Å; P531-R534 WeakPolarHBondContact O-CA 3.35Å; P531-R534 WeakPolarHBondContact O-CB 3.38Å; P531-R534 PolarHBondContact O-N 3.3Å; P531-D535 PolarHBondContact O-N 3.47Å; P531-D535 VanDerWaalsContact O-N 3.11Å
532E59.2Low61.5Low132 Ų132109.9 Ų109.962%0.61762%0.624SS**Hα-helixtrans-55.3-34.4178.3-69.3154.5-151.800112.8Q530 R534 D535 R536Q530-E532 VanDerWaalsContact C-N 3.25Å; Q530-E532 VanDerWaalsContact CD-CD 3.45Å; Q530-E532 PolarHBondContact NE2-OE1 2.88Å; Q530-E532 PolarHBondContact NE2-OE2 2.87Å; Q530-E532 PolarHBondContact O-N 2.97Å; Q530-E532 VanDerWaalsContact OE1-CB 3.31Å; Q530-E532 VanDerWaalsContact OE1-CG 3.23Å; Q530-E532 PolarHBondContact OE1-OE1 3.41Å; E532-R534 VanDerWaalsContact C-N 3.3Å; E532-R534 PolarHBondContact O-N 3.29Å; E532-D535 PolarHBondContact O-N 3.44Å; E532-R536 WeakPolarHBondContact O-CB 3.3Å; E532-R536 PolarHBondContact O-N 3.35Å
533E66.6Low63.7Low62 Ų62112.1 Ų112.129%0.2962%0.616SS.*Hα-helixtrans-70.8-26177.4178.461.7-168.200112.1Q530 P531 R536 R537Q530-E533 PolarHBondContact O-N 3.32Å; Q530-E533 VanDerWaalsContact O-N 3.17Å; P531-E533 PolarHBondContact O-N 2.85Å; P531-E533 VanDerWaalsContact O-N 3.17Å; E533-R536 IonicContact OE1-NH1 3.8Å; E533-R536 IonicContact OE2-CZ 3.19Å; E533-R536 IonicContact OE2-NH1 2.79Å; E533-R536 PolarHBondContact OE2-NH1 2.87Å; E533-R537 VanDerWaalsContact O-CD 3.3Å; E533-R537 WeakPolarHBondContact O-CD 3.49Å; E533-R537 WeakPolarHBondContact O-CG 3.43Å; E533-R537 PolarHBondContact O-N 3.37Å; E533-R537 IonicContact OE1-CZ 2.69Å; E533-R537 IonicContact OE1-NE 3.19Å; E533-R537 PolarHBondContact OE1-NE 3.03Å; E533-R537 IonicContact OE1-NH2 3.6Å; E533-R537 PolarHBondContact OE1-NH2 3.34Å
534R60.5Low66.5Low166 Ų166113.3 Ų113.363%0.62660%0.602SS**Hα-helixtrans-77.1-45.5173-60.7-176.9-176.2164.33.8110.8P531 E532 R536 R537 L538P531-R534 WeakPolarHBondContact O-CA 3.35Å; P531-R534 WeakPolarHBondContact O-CB 3.38Å; P531-R534 PolarHBondContact O-N 3.3Å; E532-R534 VanDerWaalsContact C-N 3.3Å; E532-R534 PolarHBondContact O-N 3.29Å; R534-R536 VanDerWaalsContact C-N 3.35Å; R534-R537 CarbonylContact O-C 3.51Å; R534-R537 PolarHBondContact O-N 2.96Å; R534-L538 PolarHBondContact O-N 3.13Å
535D72.4Confident69.2Low91 Ų91111.2 Ų111.249%0.48758%0.579SS.*Hα-helixtrans-66.8-38.7179.4-70.3-15.7000111.2P531 E532 R537 L538 H539P531-D535 PolarHBondContact O-N 3.47Å; P531-D535 VanDerWaalsContact O-N 3.11Å; E532-D535 PolarHBondContact O-N 3.44Å; D535-R537 VanDerWaalsContact C-N 3.33Å; D535-R537 PolarHBondContact O-N 3.48Å; D535-L538 WeakPolarHBondContact O-CB 3.43Å; D535-L538 PolarHBondContact O-N 3.32Å; D535-L538 VanDerWaalsContact O-N 3.13Å; D535-H539 PolarHBondContact O-N 2.81Å; D535-H539 PolarHBondContact O-ND1 3.02Å
536R87.4Confident72.1Confident166 Ų166111.9 Ų111.963%0.62656%0.564SS**Hα-helixtrans-56.6-44.4170.4177.3177.2165.4-122.9-4.3112.2E532 E533 R534 H539 E540E532-R536 WeakPolarHBondContact O-CB 3.3Å; E532-R536 PolarHBondContact O-N 3.35Å; E533-R536 IonicContact OE1-NH1 3.8Å; E533-R536 IonicContact OE2-CZ 3.19Å; E533-R536 IonicContact OE2-NH1 2.79Å; E533-R536 PolarHBondContact OE2-NH1 2.87Å; R534-R536 VanDerWaalsContact C-N 3.35Å; R536-H539 PolarHBondContact O-N 3.48Å; R536-E540 WeakPolarHBondContact O-CB 2.96Å; R536-E540 PolarHBondContact O-N 3.47Å
537R86.8Confident74.8Confident147 Ų147109.2 Ų109.256%0.55554%0.539SS*.Hα-helixtrans-68.5-32.8175.2-72169-172.5-1290.7112.5E533 R534 D535 E540 K541E533-R537 VanDerWaalsContact O-CD 3.3Å; E533-R537 WeakPolarHBondContact O-CD 3.49Å; E533-R537 WeakPolarHBondContact O-CG 3.43Å; E533-R537 PolarHBondContact O-N 3.37Å; E533-R537 IonicContact OE1-CZ 2.69Å; E533-R537 IonicContact OE1-NE 3.19Å; E533-R537 PolarHBondContact OE1-NE 3.03Å; E533-R537 IonicContact OE1-NH2 3.6Å; E533-R537 PolarHBondContact OE1-NH2 3.34Å; R534-R537 CarbonylContact O-C 3.51Å; R534-R537 PolarHBondContact O-N 2.96Å; D535-R537 VanDerWaalsContact C-N 3.33Å; D535-R537 PolarHBondContact O-N 3.48Å; R537-E540 PolarHBondContact O-N 3.01Å; R537-K541 WeakPolarHBondContact O-CB 2.99Å; R537-K541 VanDerWaalsContact O-CG 3.28Å; R537-K541 WeakPolarHBondContact O-CG 3.42Å; R537-K541 PolarHBondContact O-N 3.46Å
538L83.9Confident76.9Confident111 Ų111111 Ų11158%0.58153%0.529SS*.Hα-helixtrans-67.1-44.4174.2-172.7148.5000111.1R534 D535 E540 K541 Q542R534-L538 PolarHBondContact O-N 3.13Å; D535-L538 WeakPolarHBondContact O-CB 3.43Å; D535-L538 PolarHBondContact O-N 3.32Å; D535-L538 VanDerWaalsContact O-N 3.13Å; L538-E540 VanDerWaalsContact C-N 3.35Å; L538-E540 PolarHBondContact O-N 3.28Å; L538-K541 PolarHBondContact O-N 2.81Å; L538-Q542 WeakPolarHBondContact O-CB 3.42Å; L538-Q542 PolarHBondContact O-N 2.95Å
539H84.8Confident79Confident123 Ų123111.9 Ų111.957%0.56952%0.524SS*.Hα-helixtrans-64.6-36.1173.5-72.287.6000112.6D535 R536 Q542 R543D535-H539 PolarHBondContact O-N 2.81Å; D535-H539 PolarHBondContact O-ND1 3.02Å; R536-H539 PolarHBondContact O-N 3.48Å; H539-Q542 PolarHBondContact O-N 3.21Å; H539-R543 WeakPolarHBondContact O-CB 3.49Å; H539-R543 PolarHBondContact O-N 3.23Å
540E91.3Very high81.3Confident120 Ų120113 Ų11356%0.56152%0.515SS*.Hα-helixtrans-66.5-39.7172.5-174.3172.2-124.100112R536 R537 L538 R543 Q544R536-E540 WeakPolarHBondContact O-CB 2.96Å; R536-E540 PolarHBondContact O-N 3.47Å; R537-E540 PolarHBondContact O-N 3.01Å; L538-E540 VanDerWaalsContact C-N 3.35Å; L538-E540 PolarHBondContact O-N 3.28Å; E540-R543 PolarHBondContact O-N 3.46Å; E540-Q544 WeakPolarHBondContact O-CB 3.18Å; E540-Q544 PolarHBondContact O-N 3.21Å
541K90.4Very high83.4Confident122 Ų122115 Ų11553%0.5352%0.523SS..Hα-helixtrans-67.4-38.6173.6-72.3-72.1158.9-1660112.5R537 L538 Q544 I545R537-K541 WeakPolarHBondContact O-CB 2.99Å; R537-K541 VanDerWaalsContact O-CG 3.28Å; R537-K541 WeakPolarHBondContact O-CG 3.42Å; R537-K541 PolarHBondContact O-N 3.46Å; L538-K541 PolarHBondContact O-N 2.81Å; K541-Q544 PolarHBondContact O-N 3.49Å; K541-I545 VanDerWaalsContact O-CG1 3.31Å; K541-I545 WeakPolarHBondContact O-CG1 3.26Å; K541-I545 PolarHBondContact O-N 2.85Å
542Q89.4Confident85.1Confident87 Ų87116 Ų11641%0.40752%0.523SS..Hα-helixtrans-62-47.2173.8178.954.733.100111.3L538 H539 Q544 I545 E546L538-Q542 WeakPolarHBondContact O-CB 3.42Å; L538-Q542 PolarHBondContact O-N 2.95Å; H539-Q542 PolarHBondContact O-N 3.21Å; Q542-Q544 VanDerWaalsContact C-N 3.3Å; Q542-Q544 PolarHBondContact O-N 3.42Å; Q542-I545 WeakPolarHBondContact O-CB 3.42Å; Q542-I545 PolarHBondContact O-N 2.81Å; Q542-I545 VanDerWaalsContact O-N 3.13Å; Q542-E546 WeakPolarHBondContact CG-OE1 3Å; Q542-E546 PolarHBondContact NE2-OE1 3.36Å; Q542-E546 PolarHBondContact O-N 3.18Å
543R94.3Very high86.7Confident167 Ų167114.2 Ų114.263%0.6352%0.515SS*.Hα-helixtrans-57.6-42.4172.4-171.9-169.6-55.4-81.8-1.7112.1H539 E540 I545 E546 D547H539-R543 WeakPolarHBondContact O-CB 3.49Å; H539-R543 PolarHBondContact O-N 3.23Å; E540-R543 PolarHBondContact O-N 3.46Å; R543-I545 VanDerWaalsContact C-N 3.34Å; R543-I545 PolarHBondContact O-N 3.49Å; R543-E546 PolarHBondContact O-N 3.4Å; R543-D547 PolarHBondContact O-N 2.72Å
544Q87.9Confident87.7Confident99 Ų99118.4 Ų118.446%0.46353%0.528SS..Hα-helixtrans-65.5-35177.4-175.7162.971.700112.2E540 K541 Q542 L548E540-Q544 WeakPolarHBondContact O-CB 3.18Å; E540-Q544 PolarHBondContact O-N 3.21Å; K541-Q544 PolarHBondContact O-N 3.49Å; Q542-Q544 VanDerWaalsContact C-N 3.3Å; Q542-Q544 PolarHBondContact O-N 3.42Å; Q544-L548 HydrophobicContact CG-CD1 4.13Å; Q544-L548 WeakPolarHBondContact O-CB 3.45Å; Q544-L548 WeakPolarHBondContact O-CD1 3.23Å; Q544-L548 PolarHBondContact O-N 2.88Å; Q544-L548 VanDerWaalsContact O-N 3.07Å
545I90.7Very high89.2Confident92 Ų92115.7 Ų115.747%0.47252%0.522SS..Hα-helixtrans-65.7-46.7171.6-70161.4000110.5K541 Q542 R543 D547 L548 M549K541-I545 VanDerWaalsContact O-CG1 3.31Å; K541-I545 WeakPolarHBondContact O-CG1 3.26Å; K541-I545 PolarHBondContact O-N 2.85Å; Q542-I545 WeakPolarHBondContact O-CB 3.42Å; Q542-I545 PolarHBondContact O-N 2.81Å; Q542-I545 VanDerWaalsContact O-N 3.13Å; R543-I545 VanDerWaalsContact C-N 3.34Å; R543-I545 PolarHBondContact O-N 3.49Å; I545-D547 PolarHBondContact O-N 2.9Å; I545-L548 PolarHBondContact O-N 2.76Å; I545-M549 HydrophobicContact CG2-CG 4.42Å; I545-M549 WeakPolarHBondContact O-CG 3.42Å; I545-M549 PolarHBondContact O-N 2.97Å
546E91.9Very high89.9Confident83 Ų83117.8 Ų117.839%0.38853%0.529SS..Hα-helixtrans-60.8-43.1179-74.1166.9-153.900112.9Q542 R543 M549 R550Q542-E546 WeakPolarHBondContact CG-OE1 3Å; Q542-E546 PolarHBondContact NE2-OE1 3.36Å; Q542-E546 PolarHBondContact O-N 3.18Å; R543-E546 PolarHBondContact O-N 3.4Å; E546-M549 PolarHBondContact O-N 3.16Å; E546-R550 WeakPolarHBondContact O-CB 3.44Å; E546-R550 PolarHBondContact O-N 2.83Å
547D94.5Very high90.1Very high77 Ų77117.3 Ų117.341%0.41253%0.527SS..Hα-helixtrans-70-30.7175-86.7-40.3000112.9R543 I545 R550 K551R543-D547 PolarHBondContact O-N 2.72Å; I545-D547 PolarHBondContact O-N 2.9Å; D547-R550 IonicContact OD1-CZ 3.98Å; D547-R550 IonicContact OD1-NH1 3.42Å; D547-R550 PolarHBondContact OD1-NH1 3.28Å; D547-K551 WeakPolarHBondContact O-CB 3.36Å; D547-K551 PolarHBondContact O-N 3.03Å
548L91.3Very high90.3Very high117 Ų117115.1 Ų115.161%0.61353%0.526SS*.Hα-helixtrans-66.9-44169.2-99.985.8000111.9Q544 I545 K551 L552Q544-L548 HydrophobicContact CG-CD1 4.13Å; Q544-L548 WeakPolarHBondContact O-CB 3.45Å; Q544-L548 WeakPolarHBondContact O-CD1 3.23Å; Q544-L548 PolarHBondContact O-N 2.88Å; Q544-L548 VanDerWaalsContact O-N 3.07Å; I545-L548 PolarHBondContact O-N 2.76Å; L548-K551 PolarHBondContact O-N 3.31Å; L548-K551 VanDerWaalsContact O-N 3.17Å; L548-L552 WeakPolarHBondContact O-CB 3.44Å; L548-L552 PolarHBondContact O-N 3.44Å
549M85.1Confident90.7Very high121 Ų121114.4 Ų114.460%0.59653%0.526SS*.Hα-helixtrans-60.9-46.3175.2-66.9-153.7-5200111I545 E546 K551 L552 E553I545-M549 HydrophobicContact CG2-CG 4.42Å; I545-M549 WeakPolarHBondContact O-CG 3.42Å; I545-M549 PolarHBondContact O-N 2.97Å; E546-M549 PolarHBondContact O-N 3.16Å; M549-K551 PolarHBondContact O-N 3.23Å; M549-L552 PolarHBondContact O-N 2.92Å; M549-E553 PolarHBondContact O-N 3.06Å
550R93.7Very high91Very high120 Ų120115 Ų11545%0.45353%0.529SS..Hα-helixtrans-64.5-26.6176.7-163.8-169.8-70.6146.4-7.8112.3E546 D547 R554E546-R550 WeakPolarHBondContact O-CB 3.44Å; E546-R550 PolarHBondContact O-N 2.83Å; D547-R550 IonicContact OD1-CZ 3.98Å; D547-R550 IonicContact OD1-NH1 3.42Å; D547-R550 PolarHBondContact OD1-NH1 3.28Å; R550-R554 VanDerWaalsContact C-NH1 3.33Å; R550-R554 WeakPolarHBondContact O-CG 3.32Å; R550-R554 PolarHBondContact O-NH1 3.37Å
551K92.8Very high91Very high130 Ų130114.2 Ų114.257%0.56553%0.525SS*.Hα-helixtrans-75-47171.1-171.2-179175.2-171.60111.1D547 L548 M549 E553 R554 E555D547-K551 WeakPolarHBondContact O-CB 3.36Å; D547-K551 PolarHBondContact O-N 3.03Å; L548-K551 PolarHBondContact O-N 3.31Å; L548-K551 VanDerWaalsContact O-N 3.17Å; M549-K551 PolarHBondContact O-N 3.23Å; K551-E553 VanDerWaalsContact C-N 3.32Å; K551-E553 PolarHBondContact O-N 3.37Å; K551-R554 PolarHBondContact O-N 3.25Å; K551-E555 PolarHBondContact O-N 2.87Å
552L91.9Very high91Very high103 Ų103112.6 Ų112.654%0.53952%0.522SS..Hα-helixtrans-58.4-41.9177.6-178.363.3000111.8L548 M549 R554 E555 Q556L548-L552 WeakPolarHBondContact O-CB 3.44Å; L548-L552 PolarHBondContact O-N 3.44Å; M549-L552 PolarHBondContact O-N 2.92Å; L552-R554 PolarHBondContact O-N 3.21Å; L552-E555 PolarHBondContact O-N 3.15Å; L552-Q556 VanDerWaalsContact O-CB 3.26Å; L552-Q556 WeakPolarHBondContact O-CB 3.48Å; L552-Q556 PolarHBondContact O-N 3.24Å
553E92.1Very high91Very high95 Ų95115.1 Ų115.144%0.44453%0.532SS..Hα-helixtrans-60.6-45176.3-167.2-159.8163.600112M549 K551 E555 Q556 R557M549-E553 PolarHBondContact O-N 3.06Å; K551-E553 VanDerWaalsContact C-N 3.32Å; K551-E553 PolarHBondContact O-N 3.37Å; E553-E555 VanDerWaalsContact C-N 3.34Å; E553-E555 PolarHBondContact O-N 3.19Å; E553-Q556 PolarHBondContact O-N 2.91Å; E553-R557 WeakPolarHBondContact O-CG 3.5Å; E553-R557 PolarHBondContact O-N 3.27Å; E553-R557 IonicContact OE1-CZ 2.69Å; E553-R557 IonicContact OE1-NE 3.25Å; E553-R557 PolarHBondContact OE1-NE 2.98Å; E553-R557 IonicContact OE1-NH2 3.92Å; E553-R557 PolarHBondContact OE1-NH2 3.5Å
554R89.2Confident90.5Very high149 Ų149112.4 Ų112.456%0.56253%0.527SS*.Hα-helixtrans-64-40.3176.2-68.9-178.2-163.1102.9-19.6112R550 K551 L552 Q556 R557 L558R550-R554 VanDerWaalsContact C-NH1 3.33Å; R550-R554 WeakPolarHBondContact O-CG 3.32Å; R550-R554 PolarHBondContact O-NH1 3.37Å; K551-R554 PolarHBondContact O-N 3.25Å; L552-R554 PolarHBondContact O-N 3.21Å; R554-Q556 VanDerWaalsContact C-N 3.35Å; R554-R557 PolarHBondContact O-N 3.35Å; R554-L558 WeakPolarHBondContact O-CB 3.27Å; R554-L558 PolarHBondContact O-N 3.22Å
555E90.5Very high90.2Very high110 Ų110112.6 Ų112.651%0.51453%0.528SS..Hα-helixtrans-66.9-38.6177.9-158.7167.8116.300110.9K551 L552 E553 L558 V559K551-E555 PolarHBondContact O-N 2.87Å; L552-E555 PolarHBondContact O-N 3.15Å; E553-E555 VanDerWaalsContact C-N 3.34Å; E553-E555 PolarHBondContact O-N 3.19Å; E555-L558 PolarHBondContact O-N 3.49Å; E555-V559 WeakPolarHBondContact O-CG2 3.33Å; E555-V559 PolarHBondContact O-N 3.27Å
556Q87Confident89.7Confident134 Ų134113.6 Ų113.663%0.62653%0.534SS*.Hα-helixtrans-68.6-39.9176.3-166.7143.991.300112.3L552 E553 R554 V559 E560L552-Q556 VanDerWaalsContact O-CB 3.26Å; L552-Q556 WeakPolarHBondContact O-CB 3.48Å; L552-Q556 PolarHBondContact O-N 3.24Å; E553-Q556 PolarHBondContact O-N 2.91Å; R554-Q556 VanDerWaalsContact C-N 3.35Å; Q556-V559 PolarHBondContact O-N 3.09Å; Q556-E560 WeakPolarHBondContact O-CB 3.44Å; Q556-E560 PolarHBondContact O-N 2.82Å
557R92.5Very high89Confident156 Ų156114.1 Ų114.159%0.58954%0.537SS*.Hα-helixtrans-63.8-37.7169.7-71-170.7-163.6-157.15.4112.6E553 R554 V559 E560 E561E553-R557 WeakPolarHBondContact O-CG 3.5Å; E553-R557 PolarHBondContact O-N 3.27Å; E553-R557 IonicContact OE1-CZ 2.69Å; E553-R557 IonicContact OE1-NE 3.25Å; E553-R557 PolarHBondContact OE1-NE 2.98Å; E553-R557 IonicContact OE1-NH2 3.92Å; E553-R557 PolarHBondContact OE1-NH2 3.5Å; R554-R557 PolarHBondContact O-N 3.35Å; R557-V559 VanDerWaalsContact C-N 3.33Å; R557-V559 PolarHBondContact O-N 2.85Å; R557-E560 PolarHBondContact O-N 3.34Å; R557-E561 WeakPolarHBondContact O-CB 3.26Å; R557-E561 PolarHBondContact O-N 3.49Å
558L91.1Very high88Confident102 Ų102115.2 Ų115.253%0.53455%0.546SS..Hα-helixtrans-64.5-39.1175.7-175.167.4000111.4R554 E555 L562R554-L558 WeakPolarHBondContact O-CB 3.27Å; R554-L558 PolarHBondContact O-N 3.22Å; E555-L558 PolarHBondContact O-N 3.49Å; L558-L562 HydrophobicContact CG-CD1 4.19Å; L558-L562 WeakPolarHBondContact O-CB 3.23Å; L558-L562 WeakPolarHBondContact O-CD1 3.39Å; L558-L562 VanDerWaalsContact O-CG 3.27Å; L558-L562 WeakPolarHBondContact O-CG 3.32Å; L558-L562 PolarHBondContact O-N 3.46Å
559V91.8Very high86.7Confident96 Ų96116.7 Ų116.758%0.58255%0.549SS*.Hα-helixtrans-66.7-38.4172.8171.40000111.6E555 Q556 R557 K563E555-V559 WeakPolarHBondContact O-CG2 3.33Å; E555-V559 PolarHBondContact O-N 3.27Å; Q556-V559 PolarHBondContact O-N 3.09Å; R557-V559 VanDerWaalsContact C-N 3.33Å; R557-V559 PolarHBondContact O-N 2.85Å; V559-K563 VanDerWaalsContact O-CB 3.23Å; V559-K563 WeakPolarHBondContact O-CB 3.44Å; V559-K563 PolarHBondContact O-N 2.91Å
560E91.6Very high85.7Confident134 Ų134117.7 Ų117.763%0.62655%0.551SS**Hα-helixtrans-65.2-42.6174.9-176.4169.3-137.700112.3Q556 R557 K563 M564Q556-E560 WeakPolarHBondContact O-CB 3.44Å; Q556-E560 PolarHBondContact O-N 2.82Å; R557-E560 PolarHBondContact O-N 3.34Å; E560-K563 WeakPolarHBondContact O-CB 3.27Å; E560-K563 PolarHBondContact O-N 3.43Å; E560-M564 PolarHBondContact O-N 2.77Å
561E91.6Very high83.6Confident105 Ų105122.6 Ų122.649%0.49157%0.569SS.*Hα-helixtrans-71.1-38.9177.2-174.5162.2-163.800112.3R557 K563 M564 Q565R557-E561 WeakPolarHBondContact O-CB 3.26Å; R557-E561 PolarHBondContact O-N 3.49Å; E561-K563 VanDerWaalsContact C-N 3.33Å; E561-K563 PolarHBondContact O-N 3.37Å; E561-M564 HydrophobicContact CG-CE 4.41Å; E561-M564 WeakPolarHBondContact O-CB 3.18Å; E561-M564 PolarHBondContact O-N 3.03Å; E561-Q565 WeakPolarHBondContact O-CG 3.39Å; E561-Q565 PolarHBondContact O-N 2.99Å
562L90.8Very high81.6Confident87 Ų87119.7 Ų119.746%0.45558%0.576SS.*Hα-helixtrans-62-40.2170-77.4166.7000111.9L558 Q565 L566L558-L562 HydrophobicContact CG-CD1 4.19Å; L558-L562 WeakPolarHBondContact O-CB 3.23Å; L558-L562 WeakPolarHBondContact O-CD1 3.39Å; L558-L562 VanDerWaalsContact O-CG 3.27Å; L558-L562 WeakPolarHBondContact O-CG 3.32Å; L558-L562 PolarHBondContact O-N 3.46Å; L562-Q565 PolarHBondContact O-N 2.7Å; L562-L566 WeakPolarHBondContact O-CB 3.37Å; L562-L566 WeakPolarHBondContact O-CG 3.28Å; L562-L566 PolarHBondContact O-N 3.33Å
563K88.8Confident79.3Confident140 Ų140123.3 Ų123.361%0.60959%0.59SS**Hα-helixtrans-63.6-40.8173.1179.2-172.7172.2-167.60111.3V559 E560 E561 L566 E567V559-K563 VanDerWaalsContact O-CB 3.23Å; V559-K563 WeakPolarHBondContact O-CB 3.44Å; V559-K563 PolarHBondContact O-N 2.91Å; E560-K563 WeakPolarHBondContact O-CB 3.27Å; E560-K563 PolarHBondContact O-N 3.43Å; E561-K563 VanDerWaalsContact C-N 3.33Å; E561-K563 PolarHBondContact O-N 3.37Å; K563-L566 PolarHBondContact O-N 3.2Å; K563-E567 WeakPolarHBondContact O-CB 3.32Å; K563-E567 PolarHBondContact O-N 3.27Å
564M84.4Confident76.9Confident110 Ų110122.7 Ų122.754%0.54260%0.601SS.*Hα-helixtrans-63.9-42.7175.4-173.1-175.37000111.3E560 E561 E567 V568E560-M564 PolarHBondContact O-N 2.77Å; E561-M564 HydrophobicContact CG-CE 4.41Å; E561-M564 WeakPolarHBondContact O-CB 3.18Å; E561-M564 PolarHBondContact O-N 3.03Å; M564-E567 PolarHBondContact O-N 2.97Å; M564-V568 WeakPolarHBondContact O-CB 3.47Å; M564-V568 VanDerWaalsContact O-CG2 3.3Å; M564-V568 WeakPolarHBondContact O-CG2 3.47Å; M564-V568 PolarHBondContact O-N 3.45Å
565Q81.2Confident74.2Confident104 Ų104123.2 Ų123.249%0.48662%0.615SS.*Hα-helixtrans-60.9-44.9175.2-72.1172.11100111.4E561 L562 V568 E569E561-Q565 WeakPolarHBondContact O-CG 3.39Å; E561-Q565 PolarHBondContact O-N 2.99Å; L562-Q565 PolarHBondContact O-N 2.7Å; Q565-V568 PolarHBondContact O-N 2.63Å; Q565-E569 WeakPolarHBondContact O-CB 3.42Å; Q565-E569 PolarHBondContact O-N 3.41Å
566L79.3Confident72.1Confident113 Ų113123.1 Ų123.159%0.59262%0.624SS**Hα-helixtrans-64.1-38.1175.1-75.2165.1000113.1L562 K563 K570L562-L566 WeakPolarHBondContact O-CB 3.37Å; L562-L566 WeakPolarHBondContact O-CG 3.28Å; L562-L566 PolarHBondContact O-N 3.33Å; K563-L566 PolarHBondContact O-N 3.2Å; L566-K570 WeakPolarHBondContact O-CB 3.42Å; L566-K570 PolarHBondContact O-N 2.96Å
567E78.8Confident69.3Low94 Ų94122.4 Ų122.444%0.43963%0.629SS.*Hα-helixtrans-70.2-34.8175.7-161.677.8-110.300111.7K563 M564 K570 R571K563-E567 WeakPolarHBondContact O-CB 3.32Å; K563-E567 PolarHBondContact O-N 3.27Å; M564-E567 PolarHBondContact O-N 2.97Å; E567-K570 WeakPolarHBondContact OE1-CD 3.47Å; E567-K570 IonicContact OE1-NZ 2.75Å; E567-K570 PolarHBondContact OE1-NZ 3.22Å; E567-R571 WeakPolarHBondContact O-CB 3.49Å; E567-R571 PolarHBondContact O-N 3.28Å
568V72.3Confident66.4Low99 Ų99122.3 Ų122.360%0.664%0.639SS**Hα-helixtrans-67.7-43.8173.2168.70000111.3M564 Q565 R571 G572M564-V568 WeakPolarHBondContact O-CB 3.47Å; M564-V568 VanDerWaalsContact O-CG2 3.3Å; M564-V568 WeakPolarHBondContact O-CG2 3.47Å; M564-V568 PolarHBondContact O-N 3.45Å; Q565-V568 PolarHBondContact O-N 2.63Å; V568-R571 PolarHBondContact O-N 3.3Å; V568-G572 PolarHBondContact O-N 2.95Å; V568-G572 VanDerWaalsContact O-N 3.09Å
569E64.3Low63.5Low148 Ų148122.9 Ų122.969%0.69265%0.652SS**Hα-helixtrans-62.2-46.7175.1-173.6174.7174.700111.3Q565 R571 G572Q565-E569 WeakPolarHBondContact O-CB 3.42Å; Q565-E569 PolarHBondContact O-N 3.41Å; E569-R571 VanDerWaalsContact C-N 3.26Å; E569-R571 PolarHBondContact O-N 3.33Å; E569-G572 WeakPolarHBondContact O-CA 3.39Å; E569-G572 PolarHBondContact O-N 2.93Å
570K63.9Low60.6Low143 Ų143123.6 Ų123.662%0.62266%0.661SS**Hα-helixtrans-59.9-32.1174.4178.4-179.8161.4-145.10113.1L566 E567 G572L566-K570 WeakPolarHBondContact O-CB 3.42Å; L566-K570 PolarHBondContact O-N 2.96Å; E567-K570 WeakPolarHBondContact OE1-CD 3.47Å; E567-K570 IonicContact OE1-NZ 2.75Å; E567-K570 PolarHBondContact OE1-NZ 3.22Å; K570-G572 VanDerWaalsContact C-N 3.32Å
571R49.2Very low57.7Low223 Ų223121.2 Ų121.284%0.84267%0.672SS**Hα-helixtrans-81.1-10.9173.6-153.5175.7-167.1-125.60.9113.5E567 V568 E569E567-R571 WeakPolarHBondContact O-CB 3.49Å; E567-R571 PolarHBondContact O-N 3.28Å; V568-R571 PolarHBondContact O-N 3.3Å; E569-R571 VanDerWaalsContact C-N 3.26Å; E569-R571 PolarHBondContact O-N 3.33Å
572G51Low54.7Low68 Ų68121.1 Ų121.170%0.70169%0.689SS**THydrogen-bonded Turntrans-81.3-8.5173.200000114.7V568 E569 K570V568-G572 PolarHBondContact O-N 2.95Å; V568-G572 VanDerWaalsContact O-N 3.09Å; E569-G572 WeakPolarHBondContact O-CA 3.39Å; E569-G572 PolarHBondContact O-N 2.93Å; K570-G572 VanDerWaalsContact C-N 3.32Å
573Q44.4Very low51.7Low179 Ų179124 Ų12484%0.83671%0.71SS**SBendtrans-121.178.6-178.9-166.4-179.4107.200111.5
574A41.4Very low48.9Very low83 Ų83125.6 Ų125.669%0.68672%0.717SS**  trans-141.5150.5170.900000110.8
575D32.8Very low46.3Very low159 Ų159127.1 Ų127.185%0.8573%0.725SS**  trans87.1141.7178.2-68.7-18.7000118.5
576P45.5Very low43.8Very low109 Ų109130 Ų13071%0.70874%0.738SS**  cis-144.6-167.4-24.137.1-16.5000115.2
577V29.7Very low41.4Very low119 Ų119127.9 Ų127.972%0.72174%0.744SS**  trans95.394.9153.3172.10000120
578L31.6Very low39.6Very low153 Ų153129 Ų12980%0.80176%0.759SS**  61.4126.1128.4-55-178.9000122.8
579S29.6Very low37.5Very low115 Ų115130.4 Ų130.480%0.80477%0.768SS**  trans-83.9144146.2175.90000110.8
580S30.6Very low35.9Very low111 Ų111130.7 Ų130.778%0.77677%0.773SS**  trans-159.2118.3163.9-80.70000110.6
581G30.1Very low34.2Very low84 Ų84129 Ų12987%0.86678%0.78SS**  trans-89.6135175.300000112.1
582A28.3Very low33.1Very low103 Ų103123.5 Ų123.585%0.85178%0.775SS**  trans-137.5157.7170.200000110.2
583V28.4Very low31.8Very low147 Ų147125.2 Ų125.289%0.89178%0.776SS**  trans-106.1150.5-166.3-169.90000110.9
584K29.3Very low31.1Very low174 Ų174121.9 Ų121.976%0.75777%0.772SS**  trans121.3136.5135.4-168.2170.6175.9-175.60118.2
585M29.8Very low30.7Very low141 Ų141124 Ų12470%0.69578%0.782SS**  trans70.2132.2158.2-84.6177.569.700121.2
586E28.7Very low30.5Very low164 Ų164120 Ų12077%0.76678%0.777SS**  trans44.3140.7134.6-49.3-55.1101.700121.7
587G28.8Very low29.7Very low70 Ų70121.3 Ų121.372%0.72278%0.784SS**  trans-78.7-161172.900000114.4
588P41.3Very low29.9Very low117 Ų117120.3 Ų120.376%0.7679%0.788SS**  cis-144.5154.728.240.8-21.2000119.1
589V28.7Very low29.7Very low129 Ų129119.3 Ų119.378%0.78279%0.788SS**  trans70.2153137.81740000120.3
590L30.2Very low29.7Very low153 Ų153121.6 Ų121.680%0.80179%0.79SS**  trans80.3133.8-176.1-48.3-174.3000115
591S28.7Very low29.4Very low108 Ų108121.7 Ų121.776%0.75579%0.791SS**  cis78.3127.730-159.80000112.9
592S26.3Very low30.2Very low107 Ų107123 Ų12375%0.74878%0.784SS**  cis-151.2-164.20.7-161.10000111.1
593C24.3Very low30.1Very low105 Ų105126.4 Ų126.471%0.70978%0.783SS**  trans-62.2133.4-173.352.50000118.2
594S29.1Very low30Very low108 Ų108124.9 Ų124.976%0.75577%0.773SS**  49.4141.2123.5-46.10000124.3
595S32.8Very low30Very low129 Ų129122.6 Ų122.690%0.90277%0.773SS**  trans91.1131.9146.9-570000119.5
596G28.1Very low30Very low73 Ų73123.9 Ų123.975%0.75378%0.775SS**  trans172.744.9-178.700000117.1
597T29.6Very low30.3Very low137 Ų137122.2 Ų122.284%0.8477%0.771SS**  trans18.8112.314653.70000121.8
598A33.9Very low30.3Very low98 Ų98126.4 Ų126.481%0.8177%0.772SS**  trans45132.3133.800000123.1
599V26.1Very low29.6Very low133 Ų133127.7 Ų127.781%0.80677%0.772SS**  trans-163.1132.6142.21240000113.5
600L30.3Very low29.8Very low163 Ų163126.7 Ų126.785%0.85377%0.766SS**  trans51.8140.7154.6-57.3174.4000124.4
601S24.9Very low29.8Very low112 Ų112124.8 Ų124.878%0.78376%0.761SS**  trans-86.9-169.9161.5-320000110.2
602P46.4Very low29.8Very low113 Ų113126.1 Ų126.173%0.73476%0.764SS**  cis-149.4-176.420.638.4-13.7000119.8
603Q26.9Very low30Very low174 Ų174126.2 Ų126.281%0.81377%0.765SS**  106.7133.2127-122.1-168.5-9.500123.4
604V26.8Very low30.2Very low114 Ų114125.1 Ų125.169%0.69176%0.764SS**  trans62.7141.4163.6-131.90000115.5
605V28.1Very low30Very low126 Ų126131.8 Ų131.876%0.76477%0.772SS**  cis-144.312127.5-167.60000107.7
606K29.5Very low30.1Very low169 Ų169135 Ų13574%0.73577%0.77SS**  68.7129.876.2-168.7-165.3177-164.80114.3
607L34.8Very low30.9Very low129 Ų129136.6 Ų136.668%0.67577%0.767SS**  cis-109.6-107.9-10.1-162.365.6000109.5
608E29.1Very low30.7Very low157 Ų157137.1 Ų137.173%0.73476%0.764SS**  cis-150.7157.7-36.831.1-96.8112.300106.3
609D26.9Very low30.4Very low144 Ų144139.8 Ų139.877%0.7776%0.759SS**  cis-145.7166.26.1-170.525.7000112.1
610V32.8Very low30.6Very low109 Ų109140.1 Ų140.166%0.66176%0.756SS**  trans57.7107.4156154.90000121.7
611T29.6Very low30.5Very low112 Ų112141.6 Ų141.669%0.68776%0.758SS**  60.5107128-46.30000119.7
612V29.6Very low31Very low137 Ų137142.5 Ų142.583%0.8376%0.759SS**  65.2134.172.6171.20000113.8
613S29.7Very low30.2Very low109 Ų109145.7 Ų145.776%0.76277%0.765SS**  cis-166.6161.8-16-1800000111
614A29.6Very low30.5Very low82 Ų82142.3 Ų142.368%0.67876%0.756SS**  trans-20.5138.5173.600000121.1
615R25.1Very low31Very low247 Ų247144.5 Ų144.593%0.93276%0.759SS**  163.6153.4120.1-89.9174.5175.9-169.1-0.4112.8
616K33.9Very low31.4Very low198 Ų198144.7 Ų144.786%0.86175%0.754SS**  trans-57.4163.3161.9-52.1171.7-178.9-1800109.9
617P45.9Very low31.8Very low106 Ų106144.5 Ų144.569%0.68876%0.759SS**  cis-154-163.530.743.1-20.5000117
618L25.3Very low31.8Very low148 Ų148141.7 Ų141.778%0.77576%0.755SS**  trans66.4164.7152-80.2171.2000117
619Q26.5Very low32Very low153 Ų153142.5 Ų142.572%0.71576%0.759SS**  cis-152.3179.4-8-159.8152.8-16.400111
620L30.7Very low32.5Very low140 Ų140142.1 Ų142.173%0.73376%0.755SS**  trans-34.5150.6170.5-77.472.6000117.6
621Q29.2Very low32.6Very low194 Ų194144 Ų14491%0.90776%0.757SS**  -161.3179.3112.1-110.6176.57.600115.2
622T34.1Very low32.8Very low131 Ų131144.7 Ų144.780%0.80476%0.756SS**  trans-136.3-166.2-170.5-57.40000108.5
623Q30.5Very low32.8Very low180 Ų180148.9 Ų148.984%0.84176%0.757SS**  trans82.3140.8177.6-113.3160.171.600113.3
624T34Very low32.7Very low104 Ų104148.3 Ų148.364%0.63876%0.759SS**  cis-161.1164.1-0.6-1460000114.4
625Q36.6Very low32.5Very low160 Ų160147.8 Ų147.875%0.74876%0.761SS**  trans18.2163142.3-66.9-167.453.200123
626I35.6Very low33.4Very low130 Ų130142 Ų14267%0.66776%0.756SS**  cis173.4167.4-27.4-104.5171.4000106.4
627I38.6Very low33.3Very low164 Ų164138.7 Ų138.784%0.84175%0.752SS**  trans75.7151.3164.7-88.3158.9000118.4
628A35Very low33Very low71 Ų71139.6 Ų139.659%0.58776%0.758SS**  cis-176.3172.3-38.600000111
629Q32.1Very low33.2Very low174 Ų174137.7 Ų137.781%0.81376%0.757SS**  trans69.1160.4153-74.1-164.419.500119.5
630I38.7Very low34Very low135 Ų135135.5 Ų135.569%0.69276%0.757SS**  cis-165.6173.8-34.7-126.4172.7000109.1
631Q34.2Very low33.7Very low150 Ų150138.1 Ų138.170%0.70177%0.765SS**  trans94.687.9154.9-147.865.5-4.200124
632N33.5Very low33.6Very low125 Ų125132.5 Ų132.567%0.66876%0.76SS**  54129.9107.9-156.65.9000124.1
633R29.1Very low33.5Very low226 Ų226135.5 Ų135.585%0.85376%0.764SS**  115.2131.7128.9-145-173.5-179.9-159.8-0.5121.4
634A28.3Very low34.1Very low96 Ų96133.2 Ų133.279%0.79377%0.765SS**  trans79.2139.9152.800000122.4
635G26Very low34Very low71 Ų71132.8 Ų132.873%0.73277%0.772SS**  trans-110.3-151163.300000111.7
636P44.7Very low34.1Very low127 Ų127129.8 Ų129.883%0.82578%0.775SS**  cis-139.6-160.718.843.5-22.9000116.7
637T30.9Very low34.9Very low127 Ų127130 Ų13078%0.77979%0.785SS**  trans-38.9162.3173.638.20000119.3
638P39.6Very low34.4Very low125 Ų125125.5 Ų125.581%0.81278%0.778SS**  cis-149.6-164.545.843.5-20.9000119.7
639S29.6Very low34.6Very low108 Ų108130.3 Ų130.376%0.75579%0.793SS**  trans-84.9-175.1-177.757.90000113.8
640P42.2Very low34.7Very low108 Ų108128.4 Ų128.470%0.70178%0.784SS**  cis-155.3-175.224.447.2-24.6000121.3
641Q26Very low34.2Very low194 Ų194130.8 Ų130.891%0.90779%0.793SS**  trans64.9132.6139.6-169.9172.92.600124.8
642G26.9Very low34.1Very low77 Ų77130.6 Ų130.679%0.79479%0.79SS**  trans168.5145.9161.200000119
643Q31Very low33.8Very low193 Ų193132.9 Ų132.990%0.90279%0.794SS**  trans-141.1165.6173.7-102.9-172.6-15.300108.9
644P43.8Very low33.9Very low132 Ų132129.4 Ų129.486%0.85779%0.791SS**  -149-137.151.541-15.5000116.3
645A31.7Very low33.7Very low95 Ų95129.5 Ų129.579%0.78579%0.786SS**  trans-150.9162.7-154.400000121.1
646A37.8Very low34.1Very low97 Ų97134.6 Ų134.680%0.80279%0.79SS**  trans64.8178.2154.700000120
647P54.3Low34.1Very low135 Ų135134.3 Ų134.388%0.87779%0.788SS**  cis-135.6-167.5-10.643.4-25.1000115.9
648G28Very low34Very low69 Ų69133.5 Ų133.571%0.71179%0.794SS**  trans176.6151.2166.600000117.6
649L37.9Very low33.4Very low172 Ų172130.8 Ų130.890%0.90179%0.789SS**  trans-155.8169.6-173.1-79.3175.5000116.4
650Q34Very low33.3Very low134 Ų134132.2 Ų132.263%0.62679%0.793SS**  trans90.4136.8156.9-62.6-69.129.300123.6F652Q650-F652 HydrophobicContact CB-CE2 4.49Å
651Q28.1Very low32.5Very low185 Ų185135.2 Ų135.286%0.86480%0.802SS**  trans-170.7168.7141.7-111.2170.592.900113.4
652F32Very low32.6Very low146 Ų146129.1 Ų129.164%0.6479%0.791SS**  trans-135.7-168.3-167.1-54.1-91.9000112.1Q650Q650-F652 HydrophobicContact CB-CE2 4.49Å
653F28.5Very low32.4Very low174 Ų174134.6 Ų134.676%0.76380%0.796SS**  cis-168.7169.711.8-133.6-27000111.4
654I31.3Very low33.3Very low153 Ų153129.6 Ų129.679%0.78578%0.781SS**  trans70.1152.2155.5-70.6166.4000116
655S24.3Very low32.5Very low97 Ų97131.8 Ų131.868%0.67878%0.779SS**  cis-142.6-172.73.6-153.80000112.9
656H33Very low32.3Very low178 Ų178132.6 Ų132.682%0.82478%0.775SS**  trans-135.6171.2168.1-49.92.8000110.2
657P45Very low31.7Very low122 Ų122135 Ų13579%0.79277%0.774SS**  -157157.572.141.1-19000120.8
658A28.1Very low30.4Very low109 Ų109136 Ų13690%0.90177%0.77SS**  trans36.9145.7141.400000126.8
659G27.7Very low30.3Very low69 Ų69138.7 Ų138.771%0.71177%0.773SS**  trans15175.3132.200000125.3
660V27.1Very low29.8Very low137 Ų137135 Ų13583%0.8377%0.768SS**  65.7144129.4176.60000124.5
661L27.1Very low29.4Very low172 Ų172133.6 Ų133.690%0.90178%0.779SS**  trans67.1144.1164.3-80.6162.6000120.4
662G26.1Very low29.4Very low65 Ų65128.4 Ų128.467%0.6778%0.775SS**  cis159.8109.2-19.600000118.6
663Q24.3Very low29.3Very low192 Ų192130 Ų13090%0.89779%0.785SS**  trans57.9177.5155.8-104.1-157.1-2.500120
664P50.3Low29.3Very low89 Ų89128 Ų12858%0.57879%0.787SS**  cis-137-174.2-13.426.6-1.6000117.1
665Q27Very low29.2Very low177 Ų177126.5 Ų126.583%0.82779%0.785SS**  trans94.8153.1151.7-51.1-159.615.100121.6
666T26.4Very low29.4Very low113 Ų113127 Ų12769%0.69378%0.784SS**  176.7133.8-53.5-91.10000111.9
667L25.9Very low29.2Very low148 Ų148126.1 Ų126.178%0.77578%0.78SS**  trans60.6149.4170.6-62.8164.5000117.7
668L26.8Very low28.6Very low154 Ų154127.8 Ų127.881%0.80678%0.781SS**  cis95.4152.821.2-83.6163.9000117.5
669T25.9Very low28.5Very low127 Ų127132.1 Ų132.178%0.77978%0.78SS**  trans100.4105179-43.80000112.7
670A26.3Very low29.1Very low94 Ų94134.9 Ų134.978%0.77778%0.782SS**  cis88.41243300000115.1
671A26.1Very low29.6Very low104 Ų104133.4 Ų133.486%0.8678%0.776SS**  trans-166.7144.7162.400000113.4
672G28.8Very low29.9Very low77 Ų77131.1 Ų131.179%0.79477%0.769SS**  71.3107.212900000120.7
673Q29.8Very low30Very low180 Ų180133.2 Ų133.284%0.84177%0.773SS**  trans-76.3150.2145.9-63.4176-12.200109.5
674T28.8Very low30.2Very low131 Ų131132.3 Ų132.380%0.80477%0.773SS**  159.6152.2113.743.80000114.1
675T29Very low29.7Very low121 Ų121134.4 Ų134.474%0.74279%0.787SS**  trans75102.9156-126.20000120.6
676T27.9Very low29.6Very low108 Ų108131.6 Ų131.666%0.66378%0.778SS**  62.596.5118.5-44.80000119.6
677Q28.6Very low29.8Very low160 Ų160131.5 Ų131.575%0.74878%0.782SS**SBend-161.6161.296.7-96.8-55.3-4.500111.9
678I32.2Very low30Very low156 Ų156128.3 Ų128.380%0.879%0.785SS**  trans56.383.7176-46.8175.2000114.5
679F25.8Very low30.1Very low200 Ų200125.7 Ų125.788%0.87779%0.785SS**  trans-106.9134.6166.7-115.9-87.9000111.8
680V41.9Very low30.3Very low127 Ų127127.1 Ų127.177%0.7779%0.786SS**  trans-90.5134.4165.11750000108.9
681P36Very low30.3Very low106 Ų106130.9 Ų130.969%0.68879%0.788SS**  trans-130.1119156.931.5-15.2000113.6
682V34.6Very low30.5Very low125 Ų125132.4 Ų132.476%0.75878%0.781SS**  45.5132.8119.6174.70000120
683S28.1Very low30.7Very low108 Ų108135 Ų13576%0.75578%0.784SS**  trans74.9132.2164.4-66.20000118.4
684L28.2Very low30.8Very low173 Ų173133.2 Ų133.291%0.90678%0.78SS**  trans-131.5137.6155.4-128.978.4000108.8
685P39Very low31Very low133 Ų133132.4 Ų132.486%0.86478%0.78SS**  trans-98.3-151.3-174.640.8-37.6000112.6
686N26Very low31Very low118 Ų118130.3 Ų130.363%0.63178%0.782SS**  trans-126148.6-171.417176.7000111.4
687S30.9Very low31Very low112 Ų112128.7 Ų128.778%0.78379%0.786SS**  trans62.8151.4172.1-64.10000118.5
688G29.3Very low31Very low81 Ų81125.7 Ų125.784%0.83579%0.789SS**  trans135.4118.2161.700000114.8
689A28.5Very low31Very low98 Ų98125.7 Ų125.781%0.8179%0.789SS**  trans-89.6157.1178.200000113.3
690I30Very low31Very low157 Ų157121 Ų12181%0.80578%0.782SS**  trans-170.9111.9147.7-100150.2000106.2
691Q26.7Very low30.4Very low173 Ų173122.8 Ų122.881%0.80879%0.786SS**  89.7144.678.3-142.1178.9109.100112.8
692L31Very low29.8Very low137 Ų137126.1 Ų126.172%0.71779%0.792SS**  trans-78.1168.6-166.5-68.871.4000112.7N694L692-N694 HydrophobicContact CD2-CB 4.04Å
693P33Very low30.5Very low131 Ų131124.9 Ų124.985%0.85179%0.787SS**  -109.8136.7114.1-13.930.6000112.4
694N31.9Very low30.3Very low143 Ų143125.7 Ų125.777%0.76579%0.787SS**  trans-116.1122.6173.9-173.726000109.9L692L692-N694 HydrophobicContact CD2-CB 4.04Å
695S32.5Very low30.3Very low114 Ų114124.8 Ų124.880%0.79778%0.782SS**  trans-161.7133.4172.148.80000110.6
696G29.2Very low29.8Very low77 Ų77123.7 Ų123.779%0.79478%0.777SS**  cis167.8137.4-10.100000112.2
697G28.6Very low29.8Very low73 Ų73122.3 Ų122.375%0.75378%0.782SS**  trans102.4114-175.900000111.9
698A27Very low29.9Very low98 Ų98122.6 Ų122.681%0.8178%0.782SS**  71.3133.767.400000111.5
699I32.4Very low29.7Very low155 Ų155123.7 Ų123.780%0.79578%0.776SS**  cis-147130.344.4-62.2126.4000107.7
700S27.3Very low29.8Very low103 Ų103125.3 Ų125.372%0.7278%0.782SS**  63.9146.982.6-149.30000118.3
701L27.4Very low29.6Very low164 Ų164121.2 Ų121.286%0.85978%0.778SS**  trans90.5130.3166.7-53.6-176.4000121.8
702Q23.9Very low30.4Very low175 Ų175119.4 Ų119.482%0.81878%0.782SS**  trans-89.8-167.7163.4-76.6-100.614.800109.9
703P49.4Very low30.2Very low99 Ų99116 Ų11664%0.64378%0.779SS**  cis-131.8-146.8-21.522.64.7000111.5
704V23.9Very low30Very low125 Ų125117.5 Ų117.576%0.75878%0.78SS**  trans79.1134.8150.9165.10000117.4
705L29.1Very low29.8Very low154 Ų154116.2 Ų116.281%0.80678%0.777SS**  cis-140.9-139.1-12.9-115.5175.9000110
706S26.7Very low29.6Very low110 Ų110119.1 Ų119.177%0.76978%0.778SS**  cis-160.6-179.614.1-61.90000111.9
707A26.6Very low29.4Very low89 Ų89122.5 Ų122.574%0.73678%0.777SS**  trans-117.5175.5170.700000111.7
708P33.8Very low30.1Very low119 Ų119124.4 Ų124.477%0.77378%0.777SS**  -131156.368.615.98.4000113.1
709S25Very low30Very low103 Ų103127.2 Ų127.272%0.7278%0.777SS**  cis83.29841.788.10000117.2
710S30.4Very low30.4Very low132 Ų132124.2 Ų124.292%0.92377%0.768SS**  trans-172.7146.3146.9-80.90000112.2
711G25.9Very low30.2Very low71 Ų71126.9 Ų126.973%0.73277%0.769SS**  trans-125.2-142.4164.700000109.3
712P44Very low30.1Very low135 Ų135125.2 Ų125.288%0.87776%0.76SS**  cis-140.1-173.7-8.443.1-25.4000115
713G26.6Very low30Very low65 Ų65124.6 Ų124.667%0.6776%0.757SS**  trans132.7112161.900000113.5
714L28.1Very low28.9Very low164 Ų164125.3 Ų125.386%0.85977%0.765SS**  71.6131.152.7-62.2167.6000113
715V28.8Very low28.9Very low116 Ų116124 Ų12470%0.70377%0.767SS**  cis-150.2162.912.6-130.50000114.3
716Q28.3Very low28.6Very low175 Ų175123.6 Ų123.682%0.81877%0.766SS**  trans76.2114.5145.5-80177.7128.100124.1
717N25.1Very low28.6Very low147 Ų147125.3 Ų125.379%0.78676%0.763SS**  0.6164.4115.5-80.542.2000120.8
718P42.5Very low28.4Very low114 Ų114127.9 Ų127.974%0.7476%0.76SS**  cis-137.8-172.5-1.431.5-7.4000116.8
719L24.3Very low28Very low156 Ų156128.1 Ų128.182%0.81776%0.759SS**  trans-37.7171.8147.1-118.464.7000115
720P41.4Very low28Very low92 Ų92127.7 Ų127.760%0.59776%0.756SS**  cis-145.9-168.86.535.3-10.7000117.8
721Q23.4Very low27.7Very low159 Ų159126 Ų12674%0.74375%0.749SS**  trans89.4123.7133.3-103.1173.6-113.500124.7
722L23.8Very low27.5Very low130 Ų130129.3 Ų129.368%0.68175%0.751SS**  72.1137.7127.5-98.9173000124.6
723Q23.7Very low26.7Very low162 Ų162129.4 Ų129.476%0.75774%0.74SS**  trans84.8114.1140.1-112.4158.315.700123.2
724S25.5Very low26.7Very low114 Ų114134.2 Ų134.280%0.79775%0.745SS**  trans19.2162.3130.7-470000124.8
725A23.7Very low26.7Very low96 Ų96130.8 Ų130.879%0.79374%0.739SS**  trans87.5129.1177.800000114.4
726N23.9Very low27.3Very low147 Ų147130.6 Ų130.679%0.78674%0.741SS**  cis91.2144.821.4-161.924000115.2
727M24.8Very low27.3Very low146 Ų146129.2 Ų129.272%0.71974%0.738SS**  trans68.8151.8177-62.5-174.882.200115.6
728E22.8Very low27.4Very low143 Ų143128.4 Ų128.467%0.66873%0.733SS**  cis-168.6173.8-22.9-167.3-172.692.700106.5
729V26Very low26.6Very low124 Ų124130.7 Ų130.775%0.75273%0.734SS**  170.6106.9124.3155.60000112.6
730S24.1Very low26.5Very low93 Ų93128.5 Ų128.565%0.6573%0.727SS**  trans62.7136.8139.1-55.20000125.1
731A24.4Very low25.8Very low96 Ų96131.3 Ų131.379%0.79374%0.736SS**  trans87.5145.9130.800000121.7
732N22.5Very low25.9Very low142 Ų142129.4 Ų129.476%0.75974%0.736SS**  cis-165.3156.8-32.4-149-5.4000112.1
733Q27.2Very low25.9Very low137 Ų137131 Ų13164%0.6474%0.744SS**  trans67.4120.3153.1-57.4-134.8101.100123.5
734Q27.2Very low26Very low166 Ų166128.4 Ų128.478%0.77674%0.743SS**  81.9140.1129.2-65.8176.213.300122.2
735A27.2Very low26Very low91 Ų91128.2 Ų128.275%0.75274%0.741SS**  trans-111-172168.200000109.1
736P42.3Very low26.5Very low113 Ų113128.5 Ų128.573%0.73474%0.738SS**  -162.3-170.363.644.9-21.5000118.7
737L27.9Very low26.9Very low146 Ų146127 Ų12776%0.76474%0.736SS**  trans79.3120.8150.9-67.3-178.9000124.2
738L26.7Very low27Very low129 Ų129122.6 Ų122.668%0.67572%0.722SS**  83.1111.2129.3-64.3171.9000124.9
739Q25.9Very low27.2Very low162 Ų162119.6 Ų119.676%0.75772%0.722SS**  67.7121.1119.2-77-167.73400125.5
740T23Very low27.2Very low110 Ų110120.3 Ų120.368%0.67572%0.721SS**  90.3153.9121.9-58.10000121.5
741L25.8Very low27.3Very low151 Ų151117.5 Ų117.579%0.79171%0.707SS**  trans83.5127.6-178.9-51.7-178.6000115.8
742T25.8Very low27.4Very low119 Ų119117.2 Ų117.273%0.7369%0.692SS**  cis85.8111.715.2-460000116.5
743L24.8Very low27.6Very low163 Ų163116.6 Ų116.685%0.85369%0.685SS**  -173.8161.1113.7-155.561.5000112.2
744C25.3Very low27.5Very low108 Ų108117.5 Ų117.573%0.7369%0.694SS**  trans-106.3-173.3170.7-63.70000111.9
745S25.3Very low27.4Very low110 Ų110120.1 Ų120.177%0.76970%0.697SS**  trans105129.8144.5-550000119.3
746S34.5Very low27.4Very low103 Ų103120.3 Ų120.372%0.7269%0.693SS**  trans-109.7130.9161.4-56.80000110.3S475S475-S746 PolarHBondContact OG-O 3.24Å
747P32Very low26.4Very low116 Ų116123 Ų12375%0.75370%0.695SS**  trans-101.9136.2170.435.7-29.5000112.4
748A26.4Very low26.2Very low52 Ų52120.3 Ų120.343%0.4369%0.689SS.*  trans-82.3142.5170.700000115.8V473V473-A748 HydrophobicContact CG2-CB 3.64Å
749A26.2Very low26.2Very low80 Ų80119.4 Ų119.466%0.66169%0.694SS**  trans-174145.1151.700000110.1
750L26.6Very low26.4Very low139 Ų139117.4 Ų117.473%0.72869%0.694SS**  cis-163.7159.9-5-120.8171.2000108.2
751G27Very low26.5Very low35 Ų35119 Ų11936%0.36169%0.694SS.*  trans-87179.6161.600000113.1
752N25.3Very low26.5Very low89 Ų89120.7 Ų120.748%0.47669%0.69SS.*  cis-162.6156.92.8-78.2-58.9000111.6P470 M471P470-N752 WeakPolarHBondContact CB-OD1 3.49Å; P470-N752 VanDerWaalsContact CD-CG 3.45Å; P470-N752 HydrophobicContact CG-CB 3.84Å; P470-N752 VanDerWaalsContact CG-CG 3.49Å; P470-N752 WeakPolarHBondContact CG-OD1 3.48Å; M471-N752 PolarHBondContact N-ND2 2.91Å; M471-N752 VanDerWaalsContact N-ND2 3.2Å; M471-N752 PolarHBondContact N-OD1 3.5Å; M471-N752 PolarHBondContact O-ND2 2.89Å
753Q27.2Very low26.6Very low130 Ų130123.4 Ų123.461%0.60769%0.692SS**  trans48125.3148.7-62.2-84.643.600121.7P470P470-Q753 HydrophobicContact CG-CG 3.39Å
754N25.9Very low26.9Very low156 Ų156122.3 Ų122.383%0.83469%0.687SS**  -175.5159.999.7-125.6-44.1000117.3
755R25.1Very low26.8Very low220 Ų220124 Ų12483%0.8368%0.684SS**  trans76.1105.7148-154.2171.6-166.5-123.11.2122.7
756S26.7Very low26.8Very low96 Ų96129.4 Ų129.467%0.67169%0.687SS**  25.1151116.5-56.70000122.2
757E21.3Very low26.4Very low168 Ų168128.6 Ų128.679%0.78568%0.682SS**  cis-175.6167-14.8-162.4-178.5124.200110
758S23.8Very low27.3Very low91 Ų91128.4 Ų128.464%0.63668%0.681SS**  trans70.7112.415171.30000124.3
759S25.8Very low27.3Very low110 Ų110133.3 Ų133.377%0.76969%0.694SS**  trans69.5166.6140.4810000119
760P30.5Very low27.6Very low119 Ų119134.6 Ų134.677%0.77370%0.699SS**  cis-92.5170.1-2.740-35.2000112.4
761Q25.5Very low27.7Very low144 Ų144139.2 Ų139.267%0.67371%0.707SS**  cis84.1116.531.2-135.7-157.519.500117
762R25.7Very low27.6Very low186 Ų186141.9 Ų141.970%0.70273%0.725SS**  trans95.2101158.7-58.1-158.4-175.4791.3121.3
763F28.6Very low27.8Very low176 Ų176142.3 Ų142.377%0.77274%0.735SS**  72.7128.4116.8-83.4-68.7000123.6
764L30.4Very low28.8Very low141 Ų141141.4 Ų141.474%0.73874%0.74SS**  trans73.1154.1152.1-57.5177.1000116.6
765Q23.9Very low28.9Very low143 Ų143141.7 Ų141.767%0.66874%0.737SS**  cis-157.1171.98.2-139.9170.541.100113.1
766R23.8Very low29Very low223 Ų223138 Ų13884%0.84274%0.738SS**  trans87116.9146.6-83.6178.3-174.4-165.6-2.4123.7
767S27.9Very low29Very low87 Ų87138.8 Ų138.861%0.60874%0.744SS**  trans-58.9170.9137.8-138.50000111E769S767-E769 PolarHBondContact OG-OE2 3.33Å
768P49.1Very low30.2Very low112 Ų112135.9 Ų135.973%0.72774%0.74SS**  -156159.160.841-17.9000122.2
769E28.1Very low30.4Very low154 Ų154137.4 Ų137.472%0.7274%0.741SS**  trans14.1159.3143-6586.388.200126.8S767S767-E769 PolarHBondContact OG-OE2 3.33Å
770S31.7Very low30.7Very low108 Ų108138.9 Ų138.976%0.75574%0.735SS**  trans96.6139.9152.8-126.70000116.9
771R28.5Very low30.6Very low236 Ų236141.6 Ų141.689%0.89174%0.737SS**  cis-142.4-175.115.5-144.8145.7176-169.1-1.3108.7
772A25.8Very low30.7Very low91 Ų91138.8 Ų138.875%0.75274%0.739SS**  cis-153.7-144.815.800000113.3
773S28.1Very low30.9Very low98 Ų98134.7 Ų134.769%0.68574%0.739SS**  trans-161.7-175-175.9-1390000108.8
774P49.7Very low30.9Very low110 Ų110133.6 Ų133.671%0.71474%0.741SS**  cis-147.9151.545.936.9-13.5000120.8
775H26.8Very low30.9Very low163 Ų163130.3 Ų130.376%0.75574%0.741SS**  trans33.5132.1139.1-53.3-60.9000124.3
776T26.5Very low31.9Very low141 Ų141129.7 Ų129.787%0.86575%0.749SS**  -164.3160.7111.616.50000112.8
777S27.9Very low32.2Very low113 Ų113126.9 Ų126.979%0.7975%0.75SS**  trans-164.1174.1177.2-66.40000106.6
778P45.2Very low32.6Very low108 Ų108127.5 Ų127.570%0.70176%0.755SS**  cis-150-1741939.3-15.1000118.6
779N28.5Very low31.8Very low123 Ų123131.7 Ų131.766%0.65876%0.761SS**  trans86141.7133.3-104.8-20.2000126.9
780H32.9Very low31.7Very low141 Ų141133.3 Ų133.365%0.65377%0.769SS**  trans85.4126.2138.2-72.4-27.7000125.2
781Q28Very low31.5Very low175 Ų175134 Ų13482%0.81877%0.769SS**  trans71.1152141.1-67.9-176.952.100120
782A28.4Very low31.5Very low85 Ų85131.4 Ų131.470%0.70276%0.764SS**  cis-168.1163.9-21.400000112.7
783S29Very low31.9Very low101 Ų101133 Ų13371%0.70677%0.765SS**  trans78.7151.3149.2-138.70000122.6
784N29.5Very low32.1Very low153 Ų153136.2 Ų136.282%0.81877%0.773SS**  trans62.7115.8159.6-59.4-25.4000121.1
785G29.5Very low31.7Very low71 Ų71139 Ų13973%0.73278%0.777SS**  trans-100-165.2137.800000110.2
786P43.9Very low32.4Very low130 Ų130136.6 Ų136.684%0.84478%0.776SS**  cis-122.4173.12.541.6-29.6000113.8
787L30.2Very low33Very low164 Ų164136 Ų13686%0.85977%0.774SS**  159.9120.9125-177.660.5000112.8
788S36.9Very low33.9Very low100 Ų100141.8 Ų141.870%0.69978%0.779SS**  trans27.2103.8155.7-162.50000120.5
789K31.7Very low34.1Very low201 Ų201144.9 Ų144.987%0.87478%0.784SS**  trans-174.3116134.5-97.7146.7-172.1176.60109.5
790Q26.9Very low35.3Very low187 Ų187144.5 Ų144.587%0.87479%0.788SS**  trans-92.3103.3169.6-89.3-167.9-26.400110.5
791T27.1Very low36.8Very low124 Ų124141.5 Ų141.576%0.76178%0.781SS**PPolyproline II helixtrans-80.7117.9164.1-570000108.7V793T791-V793 PolarHBondContact O-N 2.84Å
792F29.1Very low38.8Very low180 Ų180142.5 Ų142.579%0.78978%0.777SS**PPolyproline II helixtrans-75.5119.5169-105.2-91.8000109.8
793V32.9Very low40.5Very low126 Ų126147.6 Ų147.676%0.76478%0.779SS**PPolyproline II helixtrans-76.2130.3171.6177.20000109T791 Q795T791-V793 PolarHBondContact O-N 2.84Å; V793-Q795 PolarHBondContact O-N 2.79Å
794L34.3Very low42.8Very low164 Ų164148.1 Ų148.186%0.85977%0.771SS**PPolyproline II helixtrans-66.1123176.7-68.8165.9000110.5
795Q39.9Very low44.9Very low170 Ų170144.3 Ų144.379%0.79475%0.75SS**PPolyproline II helixtrans-79.3149162.2-68.3-174.65.100109.6V793V793-Q795 PolarHBondContact O-N 2.79Å
796P41.1Very low46.9Very low112 Ų112142.9 Ų142.973%0.72773%0.732SS**PPolyproline II helixtrans-61.6146.9172.227.4-34.8000110.6R798P796-R798 PolarHBondContact O-N 2.99Å
797P40.9Very low48.1Very low128 Ų128139 Ų13983%0.83171%0.706SS**PPolyproline II helixtrans-64.3124.3-177.526.4-34000110.7
798R45.9Very low50.1Low235 Ų235136.2 Ų136.289%0.88769%0.687SS**PPolyproline II helixtrans-65.8135166.4-81.4-179.6163.6172.9-4.9109.3P796P796-R798 PolarHBondContact O-N 2.99Å
799E48.9Very low51.2Low173 Ų173137.2 Ų137.281%0.80868%0.68SS**PPolyproline II helixtrans-56.5141.2172-66.3-175.6110.400110.9
800P55.3Low52.4Low115 Ų115130.5 Ų130.575%0.74766%0.659SS**PPolyproline II helixtrans-64.2145.2171.228.5-34000110.1R802P800-R802 PolarHBondContact O-N 3.42Å
801P64.2Low53.5Low78 Ų78130.3 Ų130.351%0.50665%0.65SS.*PPolyproline II helixtrans-59.1138.3-176.923.8-33.7000111.7D805P801-D805 HydrophobicContact CB-CB 4.48Å
802R70Confident54.3Low196 Ų196128.2 Ų128.274%0.7464%0.64SS**PPolyproline II helixtrans-55.7148.7175.1-73.3-83.9-178.6140.1-2.1109.9P800 E804 D805 A806P800-R802 PolarHBondContact O-N 3.42Å; R802-E804 PolarHBondContact O-N 3.46Å; R802-E804 VanDerWaalsContact O-N 3.09Å; R802-D805 PolarHBondContact O-N 3.07Å; R802-A806 PolarHBondContact O-N 3.11Å
803Y63.4Low55.2Low191 Ų191126 Ų12675%0.74964%0.636SS**Hα-helixtrans-46.7-43.6-176.9176.5-102.3000113.7D805 A806 V807Y803-D805 VanDerWaalsContact C-N 3.27Å; Y803-D805 PolarHBondContact O-N 3.48Å; Y803-A806 PolarHBondContact O-N 3.04Å; Y803-V807 HydrophobicContact CD1-CG2 4.21Å; Y803-V807 HydrophobicContact CD2-CG2 4.19Å; Y803-V807 HydrophobicContact CE1-CG2 3.89Å; Y803-V807 HydrophobicContact CE2-CG2 3.87Å; Y803-V807 HydrophobicContact CG-CG2 4.36Å; Y803-V807 WeakPolarHBondContact O-CB 3.34Å; Y803-V807 VanDerWaalsContact O-CG2 3.26Å; Y803-V807 WeakPolarHBondContact O-CG2 3.48Å; Y803-V807 PolarHBondContact O-N 3.27Å
804E77.1Confident55.8Low113 Ų113127.6 Ų127.653%0.52864%0.635SS.*Hα-helixtrans-47.3-44.4172.5-93.3-73.1110.100113.9R802 K808R802-E804 PolarHBondContact O-N 3.46Å; R802-E804 VanDerWaalsContact O-N 3.09Å; E804-K808 VanDerWaalsContact O-CD 3.29Å; E804-K808 WeakPolarHBondContact O-CD 3.4Å; E804-K808 VanDerWaalsContact O-CE 3.22Å; E804-K808 WeakPolarHBondContact O-CE 3.34Å; E804-K808 WeakPolarHBondContact O-CG 3.45Å; E804-K808 PolarHBondContact O-N 2.96Å; E804-K808 VanDerWaalsContact O-N 3.1Å; E804-K808 WeakPolarHBondContact OE2-CE 3.14Å; E804-K808 IonicContact OE2-NZ 2.67Å; E804-K808 PolarHBondContact OE2-NZ 2.91Å
805D73.1Confident56.2Low72 Ų72124 Ų12439%0.38563%0.629SS.*Hα-helixtrans-87.5-32.2-172.6-55.1-41.1000111.7P801 R802 Y803 V807 K808 Q809P801-D805 HydrophobicContact CB-CB 4.48Å; R802-D805 PolarHBondContact O-N 3.07Å; Y803-D805 VanDerWaalsContact C-N 3.27Å; Y803-D805 PolarHBondContact O-N 3.48Å; D805-V807 VanDerWaalsContact C-N 3.33Å; D805-K808 PolarHBondContact O-N 3.3Å; D805-K808 IonicContact OD1-NZ 2.61Å; D805-K808 PolarHBondContact OD1-NZ 3.47Å; D805-Q809 WeakPolarHBondContact O-CB 3.41Å; D805-Q809 WeakPolarHBondContact O-CG 3.35Å; D805-Q809 PolarHBondContact O-N 2.94Å
806A73.1Confident56.1Low41 Ų41119.7 Ų119.734%0.33962%0.622SS.*Hα-helixtrans-63.4-37.6167.400000112.2R802 Y803 S810R802-A806 PolarHBondContact O-N 3.11Å; Y803-A806 PolarHBondContact O-N 3.04Å; A806-S810 WeakPolarHBondContact O-CB 3.45Å; A806-S810 PolarHBondContact O-N 2.83Å; A806-S810 PolarHBondContact O-OG 3.3Å
807V68.6Low56.4Low50 Ų50117 Ų11730%0.30362%0.615SS.*Hα-helixtrans-68.7-35.3173.81690000111.6Y803 D805 S810 R811Y803-V807 HydrophobicContact CD1-CG2 4.21Å; Y803-V807 HydrophobicContact CD2-CG2 4.19Å; Y803-V807 HydrophobicContact CE1-CG2 3.89Å; Y803-V807 HydrophobicContact CE2-CG2 3.87Å; Y803-V807 HydrophobicContact CG-CG2 4.36Å; Y803-V807 WeakPolarHBondContact O-CB 3.34Å; Y803-V807 VanDerWaalsContact O-CG2 3.26Å; Y803-V807 WeakPolarHBondContact O-CG2 3.48Å; Y803-V807 PolarHBondContact O-N 3.27Å; D805-V807 VanDerWaalsContact C-N 3.33Å; V807-S810 WeakPolarHBondContact CA-OG 3.48Å; V807-S810 PolarHBondContact O-OG 3.1Å; V807-R811 VanDerWaalsContact O-CB 3.28Å; V807-R811 WeakPolarHBondContact O-CB 3.5Å; V807-R811 PolarHBondContact O-N 2.94Å; V807-R811 VanDerWaalsContact O-N 3.14Å
808K70.9Confident56.6Low104 Ų104119.1 Ų119.145%0.45261%0.614SS.*Hα-helixtrans-70.4-42.6173.4-69.7158.8-154.3159.40112.1E804 D805 R811 S812E804-K808 VanDerWaalsContact O-CD 3.29Å; E804-K808 WeakPolarHBondContact O-CD 3.4Å; E804-K808 VanDerWaalsContact O-CE 3.22Å; E804-K808 WeakPolarHBondContact O-CE 3.34Å; E804-K808 WeakPolarHBondContact O-CG 3.45Å; E804-K808 PolarHBondContact O-N 2.96Å; E804-K808 VanDerWaalsContact O-N 3.1Å; E804-K808 WeakPolarHBondContact OE2-CE 3.14Å; E804-K808 IonicContact OE2-NZ 2.67Å; E804-K808 PolarHBondContact OE2-NZ 2.91Å; D805-K808 PolarHBondContact O-N 3.3Å; D805-K808 IonicContact OD1-NZ 2.61Å; D805-K808 PolarHBondContact OD1-NZ 3.47Å; K808-R811 PolarHBondContact O-N 2.91Å; K808-S812 WeakPolarHBondContact O-CB 3.3Å; K808-S812 PolarHBondContact O-N 3.22Å
809Q60.3Low56.3Low122 Ų122113.7 Ų113.757%0.5761%0.607SS**Hα-helixtrans-66.3-44.6178-74.3177.2-3.400112.4D805 R811 S812 L813D805-Q809 WeakPolarHBondContact O-CB 3.41Å; D805-Q809 WeakPolarHBondContact O-CG 3.35Å; D805-Q809 PolarHBondContact O-N 2.94Å; Q809-R811 PolarHBondContact O-N 3.3Å; Q809-S812 WeakPolarHBondContact O-CB 3.47Å; Q809-S812 PolarHBondContact O-N 3.46Å; Q809-S812 VanDerWaalsContact O-N 3.13Å; Q809-L813 PolarHBondContact O-N 2.9Å
810S56.8Low56.1Low60 Ų60110.5 Ų110.542%0.4260%0.601SS.*Hα-helixtrans-63-40.7175.249.40000112.4A806 V807 S812 L813 Q814A806-S810 WeakPolarHBondContact O-CB 3.45Å; A806-S810 PolarHBondContact O-N 2.83Å; A806-S810 PolarHBondContact O-OG 3.3Å; V807-S810 WeakPolarHBondContact CA-OG 3.48Å; V807-S810 PolarHBondContact O-OG 3.1Å; S810-S812 VanDerWaalsContact C-N 3.33Å; S810-S812 PolarHBondContact O-N 2.85Å; S810-L813 PolarHBondContact O-N 3.2Å; S810-Q814 WeakPolarHBondContact O-CG 3.47Å; S810-Q814 PolarHBondContact O-N 2.85Å
811R51.6Low55.8Low183 Ų183109.2 Ų109.269%0.69159%0.591SS**Hα-helixtrans-62.3-37.6170.8-175.1180-68.1-104.20.7112.5V807 K808 Q809 Q814 A815V807-R811 VanDerWaalsContact O-CB 3.28Å; V807-R811 WeakPolarHBondContact O-CB 3.5Å; V807-R811 PolarHBondContact O-N 2.94Å; V807-R811 VanDerWaalsContact O-N 3.14Å; K808-R811 PolarHBondContact O-N 2.91Å; Q809-R811 PolarHBondContact O-N 3.3Å; R811-Q814 PolarHBondContact O-N 2.95Å; R811-A815 WeakPolarHBondContact O-CB 3.47Å; R811-A815 PolarHBondContact O-N 3.37Å
812S42.5Very low55.3Low80 Ų80109.6 Ų109.656%0.55960%0.601SS**Hα-helixtrans-69.1-31.7177.7-167.80000113.2K808 Q809 S810K808-S812 WeakPolarHBondContact O-CB 3.3Å; K808-S812 PolarHBondContact O-N 3.22Å; Q809-S812 WeakPolarHBondContact O-CB 3.47Å; Q809-S812 PolarHBondContact O-N 3.46Å; Q809-S812 VanDerWaalsContact O-N 3.13Å; S810-S812 VanDerWaalsContact C-N 3.33Å; S810-S812 PolarHBondContact O-N 2.85Å
813L48.1Very low54.7Low134 Ų134105.2 Ų105.270%0.70260%0.596SS**Hα-helixtrans-76.7-38.1174.4-71.4170.8000111.7Q809 S810 A815 A816Q809-L813 PolarHBondContact O-N 2.9Å; S810-L813 PolarHBondContact O-N 3.2Å; L813-A815 PolarHBondContact O-N 3.49Å; L813-A816 PolarHBondContact O-N 3.34Å; L813-A816 VanDerWaalsContact O-N 3.09Å
814Q45.1Very low54.8Low158 Ų15899 Ų9974%0.73858%0.581SS**Hα-helixtrans-65.2-26.9171.5-72.2179.2-6.900112.7S810 R811 A816S810-Q814 WeakPolarHBondContact O-CG 3.47Å; S810-Q814 PolarHBondContact O-N 2.85Å; R811-Q814 PolarHBondContact O-N 2.95Å; Q814-A816 VanDerWaalsContact C-N 3.27Å; Q814-A816 PolarHBondContact O-N 2.87Å
815A42.5Very low54.7Low88 Ų8898.8 Ų98.873%0.72758%0.579SS**THydrogen-bonded Turntrans-75.8-9.3172.800000114.4R811 L813R811-A815 WeakPolarHBondContact O-CB 3.47Å; R811-A815 PolarHBondContact O-N 3.37Å; L813-A815 PolarHBondContact O-N 3.49Å
816A39.5Very low54.6Low80 Ų80100.6 Ų100.666%0.66159%0.586SS**THydrogen-bonded Turntrans-102.7-0.1-178.800000113.8L813 Q814L813-A816 PolarHBondContact O-N 3.34Å; L813-A816 VanDerWaalsContact O-N 3.09Å; Q814-A816 VanDerWaalsContact C-N 3.27Å; Q814-A816 PolarHBondContact O-N 2.87Å
817G47.7Very low55Low56 Ų56103.6 Ų103.658%0.57759%0.594SS**SBendtrans-137.469.7-17400000113.1
818Q43.2Very low55.5Low173 Ų173105 Ų10581%0.80860%0.6SS**  trans-174.266.7159-97.7-75.448.800107.9
819V41Very low56.1Low121 Ų121103.2 Ų103.273%0.73360%0.595SS**  trans-100.4117.2163.6177.40000106.5T821V819-T821 PolarHBondContact O-N 2.78Å
820P43.5Very low57.3Low106 Ų106100.7 Ų100.769%0.68859%0.585SS**  trans-65.998.2176.9-21.634000110.8
821T49.6Very low57.9Low88 Ų88102.4 Ų102.454%0.5459%0.585SS.*  trans-72.6133162.150.90000107.8V819 T823 S824V819-T821 PolarHBondContact O-N 2.78Å; T821-T823 PolarHBondContact O-N 3.4Å; T821-S824 PolarHBondContact O-N 2.8Å
822A54.6Low59.5Low86 Ų8699 Ų9971%0.71158%0.58SS**Hα-helixtrans-56.3-22.1-171.400000114.6S824 Q825 H826A822-S824 VanDerWaalsContact C-N 3.31Å; A822-S824 PolarHBondContact O-N 2.99Å; A822-Q825 PolarHBondContact O-N 3.4Å; A822-H826 PolarHBondContact O-N 3.36Å; A822-H826 VanDerWaalsContact O-N 3.15Å
823T56.2Low61.5Low104 Ų104100 Ų10064%0.63858%0.579SS**Hα-helixtrans-65.2-23.9171.233.80000115T821 M827T821-T823 PolarHBondContact O-N 3.4Å; T823-M827 WeakPolarHBondContact O-CG 3.36Å; T823-M827 PolarHBondContact O-N 3.46Å
824S65.3Low63.1Low60 Ų6096.4 Ų96.442%0.4256%0.56SS.*Hα-helixtrans-72.5-50.4173.3-1640000110.2T821 A822 H826 M827 D828T821-S824 PolarHBondContact O-N 2.8Å; A822-S824 VanDerWaalsContact C-N 3.31Å; A822-S824 PolarHBondContact O-N 2.99Å; S824-H826 VanDerWaalsContact C-N 3.29Å; S824-H826 PolarHBondContact O-N 3.48Å; S824-M827 WeakPolarHBondContact O-CA 3.49Å; S824-M827 WeakPolarHBondContact O-CB 3.39Å; S824-M827 PolarHBondContact O-N 2.96Å; S824-D828 PolarHBondContact O-N 2.86Å
825Q75.9Confident64.9Low108 Ų10890.8 Ų90.851%0.50554%0.536SS..Hα-helixtrans-56.6-44.5178.6-16864.76000110.9A822 M827 D828 D829A822-Q825 PolarHBondContact O-N 3.4Å; Q825-M827 VanDerWaalsContact C-N 3.26Å; Q825-M827 PolarHBondContact O-N 3.08Å; Q825-D828 PolarHBondContact O-N 2.86Å; Q825-D828 VanDerWaalsContact O-N 3.13Å; Q825-D829 PolarHBondContact NE2-OD1 2.82Å; Q825-D829 WeakPolarHBondContact O-CB 3.48Å; Q825-D829 PolarHBondContact O-N 3.27Å
826H71.3Confident66.5Low111 Ų11195 Ų9551%0.51454%0.541SS..Hα-helixtrans-60.4-32.2176.4-175.444.2000113.9A822 S824 L830A822-H826 PolarHBondContact O-N 3.36Å; A822-H826 VanDerWaalsContact O-N 3.15Å; S824-H826 VanDerWaalsContact C-N 3.29Å; S824-H826 PolarHBondContact O-N 3.48Å; H826-L830 WeakPolarHBondContact O-CB 3.45Å; H826-L830 WeakPolarHBondContact O-CD1 3.42Å; H826-L830 WeakPolarHBondContact O-CG 3.44Å; H826-L830 PolarHBondContact O-N 3.4Å; H826-L830 VanDerWaalsContact O-N 3.15Å
827M81.2Confident67.7Low103 Ų10394.6 Ų94.651%0.50753%0.533SS..Hα-helixtrans-75.2-38.8174.7-71.6-63.9-53.700111.9T823 S824 Q825 L830 F831T823-M827 WeakPolarHBondContact O-CG 3.36Å; T823-M827 PolarHBondContact O-N 3.46Å; S824-M827 WeakPolarHBondContact O-CA 3.49Å; S824-M827 WeakPolarHBondContact O-CB 3.39Å; S824-M827 PolarHBondContact O-N 2.96Å; Q825-M827 VanDerWaalsContact C-N 3.26Å; Q825-M827 PolarHBondContact O-N 3.08Å; M827-L830 PolarHBondContact O-N 2.81Å; M827-L830 HydrophobicContact SD-CD1 4.47Å; M827-F831 WeakPolarHBondContact O-CD2 3.42Å; M827-F831 PolarHBondContact O-N 3.17Å
828D78.6Confident68.5Low80 Ų8094.7 Ų94.743%0.42853%0.534SS..Hα-helixtrans-66.6-44.7176.1-62.4-39.8000110.5S824 Q825 L830 F831 D832S824-D828 PolarHBondContact O-N 2.86Å; Q825-D828 PolarHBondContact O-N 2.86Å; Q825-D828 VanDerWaalsContact O-N 3.13Å; D828-L830 VanDerWaalsContact C-N 3.31Å; D828-L830 PolarHBondContact O-N 2.89Å; D828-F831 WeakPolarHBondContact O-CA 3.21Å; D828-F831 WeakPolarHBondContact O-CB 3.46Å; D828-F831 PolarHBondContact O-N 3.15Å; D828-D832 PolarHBondContact O-N 3.31Å
829D84.1Confident69.8Low66 Ų6693.7 Ų93.735%0.35353%0.529SS..Hα-helixtrans-59-40174.2-58.6-16.4000111.5Q825 F831 D832 I833Q825-D829 PolarHBondContact NE2-OD1 2.82Å; Q825-D829 WeakPolarHBondContact O-CB 3.48Å; Q825-D829 PolarHBondContact O-N 3.27Å; D829-F831 VanDerWaalsContact C-N 3.35Å; D829-D832 PolarHBondContact O-N 2.9Å; D829-I833 WeakPolarHBondContact O-CB 3.37Å; D829-I833 WeakPolarHBondContact O-CD1 3.37Å; D829-I833 WeakPolarHBondContact O-CG1 3.46Å; D829-I833 PolarHBondContact O-N 2.91Å
830L85.2Confident70.7Confident70 Ų7090 Ų9037%0.36651%0.505SS..Hα-helixtrans-66.3-35.1174-78.6169.5000112.3H826 M827 D828 L834H826-L830 WeakPolarHBondContact O-CB 3.45Å; H826-L830 WeakPolarHBondContact O-CD1 3.42Å; H826-L830 WeakPolarHBondContact O-CG 3.44Å; H826-L830 PolarHBondContact O-N 3.4Å; H826-L830 VanDerWaalsContact O-N 3.15Å; M827-L830 PolarHBondContact O-N 2.81Å; M827-L830 HydrophobicContact SD-CD1 4.47Å; D828-L830 VanDerWaalsContact C-N 3.31Å; D828-L830 PolarHBondContact O-N 2.89Å; L830-L834 WeakPolarHBondContact O-CB 3.45Å; L830-L834 WeakPolarHBondContact O-CD1 3.41Å; L830-L834 VanDerWaalsContact O-CG 3.32Å; L830-L834 WeakPolarHBondContact O-CG 3.42Å; L830-L834 PolarHBondContact O-N 3.3Å
831F69.7Low71.2Confident95 Ų9589.9 Ų89.942%0.41750%0.504SS..Hα-helixtrans-67.9-42.3173.5-100.3-78.2000111.9M827 D828 D829 L834 V835 I840M827-F831 WeakPolarHBondContact O-CD2 3.42Å; M827-F831 PolarHBondContact O-N 3.17Å; D828-F831 WeakPolarHBondContact O-CA 3.21Å; D828-F831 WeakPolarHBondContact O-CB 3.46Å; D828-F831 PolarHBondContact O-N 3.15Å; D829-F831 VanDerWaalsContact C-N 3.35Å; F831-L834 PolarHBondContact O-N 2.91Å; F831-V835 WeakPolarHBondContact O-CG2 3.37Å; F831-V835 PolarHBondContact O-N 2.83Å; F831-I840 HydrophobicContact CD1-CD1 4.1Å; F831-I840 HydrophobicContact CE1-CD1 3.97Å
832D83.9Confident71.5Confident111 Ų11189.8 Ų89.859%0.59451%0.505SS*.Hα-helixtrans-66-39.7176.2-79.3-18.8000111.4D828 D829 L834 V835 E836D828-D832 PolarHBondContact O-N 3.31Å; D829-D832 PolarHBondContact O-N 2.9Å; D832-L834 VanDerWaalsContact C-N 3.34Å; D832-L834 PolarHBondContact O-N 3.45Å; D832-V835 PolarHBondContact O-N 2.93Å; D832-V835 VanDerWaalsContact O-N 3.14Å; D832-E836 WeakPolarHBondContact O-CB 3.43Å; D832-E836 PolarHBondContact O-N 3.15Å
833I85.1Confident71.2Confident102 Ų10293.6 Ų93.652%0.52351%0.506SS..Hα-helixtrans-61.6-39.5171.9-70.1163.2000111.6D829 V835 E836 S837D829-I833 WeakPolarHBondContact O-CB 3.37Å; D829-I833 WeakPolarHBondContact O-CD1 3.37Å; D829-I833 WeakPolarHBondContact O-CG1 3.46Å; D829-I833 PolarHBondContact O-N 2.91Å; I833-V835 VanDerWaalsContact C-N 3.29Å; I833-V835 PolarHBondContact O-N 3.31Å; I833-E836 PolarHBondContact O-N 3.48Å; I833-S837 VanDerWaalsContact O-CB 3.28Å; I833-S837 WeakPolarHBondContact O-CB 3.2Å; I833-S837 PolarHBondContact O-N 3.42Å; I833-S837 PolarHBondContact O-OG 2.75Å
834L82.1Confident70.6Confident58 Ų5895.6 Ų95.630%0.30451%0.512SS..Hα-helixtrans-70.1-22.9175.6-80.6162.8000113.5L830 F831 D832 S837 E839 I840L830-L834 WeakPolarHBondContact O-CB 3.45Å; L830-L834 WeakPolarHBondContact O-CD1 3.41Å; L830-L834 VanDerWaalsContact O-CG 3.32Å; L830-L834 WeakPolarHBondContact O-CG 3.42Å; L830-L834 PolarHBondContact O-N 3.3Å; F831-L834 PolarHBondContact O-N 2.91Å; D832-L834 VanDerWaalsContact C-N 3.34Å; D832-L834 PolarHBondContact O-N 3.45Å; L834-S837 PolarHBondContact O-OG 3.42Å; L834-E839 HydrophobicContact CD2-CB 4.09Å; L834-E839 WeakPolarHBondContact CD2-OE2 3.32Å; L834-E839 PolarHBondContact O-N 3.24Å; L834-I840 HydrophobicContact CB-CD1 3.74Å; L834-I840 HydrophobicContact CB-CG1 4.01Å; L834-I840 HydrophobicContact CD1-CD1 4.04Å; L834-I840 HydrophobicContact CG-CD1 4.36Å; L834-I840 PolarHBondContact O-N 3.13Å
835V81.9Confident69.1Low40 Ų4099 Ų9924%0.24253%0.533CS..Hα-helixtrans-84.2-39.1173168.80000111.3F831 D832 I833 G838 I840 P842F831-V835 WeakPolarHBondContact O-CG2 3.37Å; F831-V835 PolarHBondContact O-N 2.83Å; D832-V835 PolarHBondContact O-N 2.93Å; D832-V835 VanDerWaalsContact O-N 3.14Å; I833-V835 VanDerWaalsContact C-N 3.29Å; I833-V835 PolarHBondContact O-N 3.31Å; V835-G838 PolarHBondContact O-N 2.96Å; V835-I840 HydrophobicContact CG2-CB 4.2Å; V835-I840 HydrophobicContact CG2-CG2 4.22Å; V835-P842 HydrophobicContact CG1-CB 3.84Å
836E76.6Confident67.1Low178 Ų178101.7 Ų101.783%0.83255%0.545SS*.Hα-helixtrans-72.2-32.9177-171.3168.4-157.100112.4D832 I833 G838D832-E836 WeakPolarHBondContact O-CB 3.43Å; D832-E836 PolarHBondContact O-N 3.15Å; I833-E836 PolarHBondContact O-N 3.48Å; E836-G838 PolarHBondContact O-N 3.04Å
837S65.6Low65Low71 Ų71103 Ų10350%0.49756%0.556SS.*THydrogen-bonded Turntrans-69.5-16170.5730000113.6I833 L834 E839I833-S837 VanDerWaalsContact O-CB 3.28Å; I833-S837 WeakPolarHBondContact O-CB 3.2Å; I833-S837 PolarHBondContact O-N 3.42Å; I833-S837 PolarHBondContact O-OG 2.75Å; L834-S837 PolarHBondContact O-OG 3.42Å; S837-E839 VanDerWaalsContact C-N 3.31Å; S837-E839 PolarHBondContact OG-N 2.96Å
838G63.9Low62.7Low57 Ų57101.3 Ų101.359%0.58856%0.559SS**THydrogen-bonded Turntrans77.48.2-176.800000115V835 E836 I840V835-G838 PolarHBondContact O-N 2.96Å; E836-G838 PolarHBondContact O-N 3.04Å; G838-I840 VanDerWaalsContact C-N 3.33Å
839E70Confident60.8Low153 Ų153102.3 Ų102.372%0.71558%0.578SS**SBendtrans-71.6-28.5174.6-68.9-171.6173.400112.4L834 S837L834-E839 HydrophobicContact CD2-CB 4.09Å; L834-E839 WeakPolarHBondContact CD2-OE2 3.32Å; L834-E839 PolarHBondContact O-N 3.24Å; S837-E839 VanDerWaalsContact C-N 3.31Å; S837-E839 PolarHBondContact OG-N 2.96Å
840I60Low58.5Low43 Ų43102.8 Ų102.822%0.22160%0.598CS.*SBendtrans-116.4125.9171.4-59.2-177.8000109.4F831 L834 V835 G838 F843F831-I840 HydrophobicContact CD1-CD1 4.1Å; F831-I840 HydrophobicContact CE1-CD1 3.97Å; L834-I840 HydrophobicContact CB-CD1 3.74Å; L834-I840 HydrophobicContact CB-CG1 4.01Å; L834-I840 HydrophobicContact CD1-CD1 4.04Å; L834-I840 HydrophobicContact CG-CD1 4.36Å; L834-I840 PolarHBondContact O-N 3.13Å; V835-I840 HydrophobicContact CG2-CB 4.2Å; V835-I840 HydrophobicContact CG2-CG2 4.22Å; G838-I840 VanDerWaalsContact C-N 3.33Å; I840-F843 HydrophobicContact CG2-CE2 4.29Å
841P54Low55.9Low103 Ų103104.3 Ų104.367%0.66962%0.621SS**  trans-61.5135.6173.2-2233.2000111.3F843P841-F843 PolarHBondContact O-N 2.79Å
842P55.4Low54.2Low87 Ų87107.1 Ų107.157%0.56564%0.64SS**  trans-58.7135.3-179.122.6-33.4000111.5V835 L844V835-P842 HydrophobicContact CG1-CB 3.84Å; P842-L844 VanDerWaalsContact C-N 3.3Å; P842-L844 PolarHBondContact O-N 3.37Å
843F48.3Very low51.7Low166 Ų166107.6 Ų107.673%0.72865%0.647SS**  trans-6980.8-177.3-77-80.6000112.4I840 P841 P845I840-F843 HydrophobicContact CG2-CE2 4.29Å; P841-F843 PolarHBondContact O-N 2.79Å; F843-P845 WeakPolarHBondContact O-CD 3.39Å
844L43.4Very low49.2Very low145 Ų145112.6 Ų112.676%0.75966%0.664SS**  trans-56.2125.6169.9-78.2157.7000110.8P842 Q846P842-L844 VanDerWaalsContact C-N 3.3Å; P842-L844 PolarHBondContact O-N 3.37Å; L844-Q846 PolarHBondContact O-N 3.42Å
845P34.1Very low46.8Very low133 Ų133115.8 Ų115.886%0.86469%0.686SS**  trans-68.475.6166.8-20.835.2000110.8F843 D847F843-P845 WeakPolarHBondContact O-CD 3.39Å; P845-D847 PolarHBondContact O-N 3.15Å
846Q33.6Very low44.2Very low164 Ų164122.8 Ų122.877%0.76672%0.716SS**  trans-77.491.1-174.8-172.8178.510.900111.4L844 A848L844-Q846 PolarHBondContact O-N 3.42Å; Q846-A848 HydrophobicContact CG-CB 3.61Å; Q846-A848 PolarHBondContact O-N 2.93Å
847D27.2Very low42.3Very low138 Ų138119.5 Ų119.574%0.73871%0.71SS**  trans-77.1111.3156.1-12618.1000107.8K79 P845K79-D847 IonicContact NZ-OD1 3.7Å; K79-D847 PolarHBondContact NZ-OD1 3.24Å; P845-D847 PolarHBondContact O-N 3.15Å
848A34Very low40.7Very low68 Ų68123 Ų12356%0.56273%0.728SS**  trans-155.2132.8-177.200000114.6Q846Q846-A848 HydrophobicContact CG-CB 3.61Å; Q846-A848 PolarHBondContact O-N 2.93Å
849A38.8Very low39Very low100 Ų100126.9 Ų126.983%0.82674%0.741SS**  trans-155.8134.7133.300000109.1
850G36.3Very low37Very low77 Ų77124 Ų12479%0.79474%0.743SS**  cis157.5131.6-1100000113.3
851A30.9Very low35.6Very low101 Ų101127.4 Ų127.484%0.83577%0.771SS**  trans-163.365.6167.200000109.6
852L33.8Very low34.3Very low155 Ų155130.6 Ų130.681%0.81278%0.781SS**  86.291.879.9-166.9136000113.4
853T30Very low33.1Very low121 Ų121132.2 Ų132.274%0.74279%0.789SS**  trans37.9130.5145.865.60000121.1
854K32.5Very low32.2Very low206 Ų206130.7 Ų130.790%0.89679%0.793SS**  -149.4149.2109.4-141.1169.7-176.7178.60113
855T31.6Very low31.4Very low125 Ų125131.4 Ų131.477%0.76780%0.797SS**PPolyproline II helixtrans-82.8146.1-177.245.20000112.5
856H28Very low32.6Very low188 Ų188130.1 Ų130.187%0.8779%0.789SS**PPolyproline II helixtrans-102.3117.6162.9-101.7-89.8000109.6
857P36.7Very low32.6Very low109 Ų109129 Ų12971%0.70879%0.793SS**PPolyproline II helixtrans-79.9153.8163.233.6-32.6000110.6
858V31.8Very low32.9Very low143 Ų143125.2 Ų125.287%0.86779%0.786SS**PPolyproline II helixtrans-99.8124.7175.1174.60000110.1
859T28.8Very low32.7Very low140 Ų140128 Ų12886%0.85980%0.802SS**  trans-150.9152.1158.224.30000109.3
860A28.5Very low32.3Very low92 Ų92126.9 Ų126.976%0.7679%0.793SS**  trans-100148.3-165.700000115.1
861S29.8Very low32.1Very low115 Ų115131.4 Ų131.480%0.80480%0.798SS**  trans28.8112.6142.8-500000121.1
862I26.2Very low32.1Very low170 Ų170131.8 Ų131.887%0.87279%0.794SS**  trans-138.1144.8140.7-63.4-172.5000109.2
863T30.6Very low31.9Very low120 Ų120136.1 Ų136.174%0.73680%0.8SS**  trans-111.3142.2-176.9-64.90000112.1
864T29.6Very low31.9Very low134 Ų134135 Ų13582%0.82280%0.797SS**  trans-158.5156.4151.8160000112.5
865L27.5Very low33Very low161 Ų161130.7 Ų130.784%0.84379%0.79SS**  trans-124.6-145.3180-66.1173.4000111.1
866P58.2Low33.2Very low106 Ų106130.4 Ų130.469%0.68879%0.79SS**  -130.8-158.3-108.141-20.9000115.5
867V33.2Very low33.2Very low139 Ų139130 Ų13084%0.84279%0.789SS**  trans79.8141.8170.8-163.50000115.4
868G34.6Very low32.6Very low59 Ų59131.2 Ų131.261%0.60879%0.794SS**  cis135.6138.9-1000000114.9
869S29Very low32.3Very low127 Ų127131.5 Ų131.589%0.88879%0.786SS**  trans175.3159.9164.7-830000111.6
870A30.1Very low32.3Very low77 Ų77132.1 Ų132.164%0.63678%0.783SS**  cis-173.8138.8-31.600000110.8
871L32.9Very low32.1Very low172 Ų172131.2 Ų131.290%0.90178%0.783SS**  trans54.3146.9158.4-84.271.8000119.7
872S30.4Very low32.4Very low109 Ų109131.7 Ų131.776%0.76278%0.783SS**  cis-169.9153.74651.50000116.2
873R30.8Very low33.6Very low245 Ų245129 Ų12993%0.92578%0.777SS**  trans66.5-177.8151.6-131.8161.7-174.8-119.9-2.7120.9
874S29.1Very low33.5Very low97 Ų97129.1 Ų129.168%0.67878%0.777SS**  trans-144.7167.3-132.558.60000115.8
875P55.3Low33.5Very low116 Ų116129.2 Ų129.275%0.75377%0.772SS**  trans-112.3174.4-164.142.8-36000116.5
876P35.9Very low33.9Very low119 Ų119127.2 Ų127.277%0.77376%0.762SS**  trans-109.8132.6143.134.8-24.8000110.3
877Q28.3Very low33Very low180 Ų180125.9 Ų125.984%0.84177%0.768SS**  cis88.2153.545-152.2-17728.500113.7
878V24.8Very low33.3Very low135 Ų135127 Ų12782%0.81876%0.764SS**  trans89130.1-175.1-178.60000114.3
879Q25.3Very low33.6Very low149 Ų149130.5 Ų130.570%0.69677%0.768SS**  cis-157.4152.5-23.3-179.261.71.100110.6
880L29Very low34.2Very low152 Ų152132.9 Ų132.980%0.79677%0.765SS**  trans-55.6151.9177.4-61.797.7000116.1
881G24.3Very low34.8Very low73 Ų73131.5 Ų131.575%0.75375%0.754SS**  trans-175.7124.7165.200000113.2
882P36Very low35.2Very low126 Ų126129.8 Ų129.882%0.81874%0.739SS**  trans-114.6-156.2179.538.2-22.5000112.1
883P50.1Low35.7Very low113 Ų113130.9 Ų130.973%0.73474%0.736SS**  -122.4-156-83.939.8-22.8000112.3
884V28.3Very low36.3Very low123 Ų123127.2 Ų127.275%0.74573%0.729SS**  trans97.8135.1145.5115.10000120.4
885L31.4Very low36.8Very low135 Ų135132.7 Ų132.771%0.70774%0.735SS**  trans62.6110.5159.7-58.9174000122.1
886D35.7Very low35.9Very low119 Ų119132.2 Ų132.264%0.63673%0.73SS**  42.2139.3116.2-51.1-25.9000122.6
887G39Very low35.8Very low79 Ų79134.5 Ų134.581%0.81474%0.735SS**  trans122.936.1140.600000121.3
888Q38.9Very low36Very low161 Ų161129.4 Ų129.475%0.75272%0.724SS**  trans-152.446.9168.8-147.5-174.3-11.800117.5A891Q888-A891 HydrophobicContact CG-CB 3.99Å
889L40Very low36.3Very low134 Ų134131.8 Ų131.870%0.70273%0.726SS**SBendtrans-79.5-23.2179.4-166.758.6000114.6A891 F892L889-A891 VanDerWaalsContact C-N 3.29Å; L889-A891 PolarHBondContact O-N 3.24Å; L889-F892 HydrophobicContact CD1-CB 4.21Å; L889-F892 PolarHBondContact O-N 2.97Å; L889-F892 VanDerWaalsContact O-N 3.16Å
890E42.3Very low36.4Very low176 Ų176131.1 Ų131.182%0.82273%0.732SS**Hα-helixtrans-62.2-36.4178.9-62.7-172.3138.100112.1F892 L893E890-F892 PolarHBondContact O-N 2.9Å; E890-L893 PolarHBondContact O-N 3.03Å
891A43.8Very low36.5Very low48 Ų48128.2 Ų128.240%0.39773%0.73SS.*Hα-helixtrans-71.8-5178.500000114.9Q888 L889Q888-A891 HydrophobicContact CG-CB 3.99Å; L889-A891 VanDerWaalsContact C-N 3.29Å; L889-A891 PolarHBondContact O-N 3.24Å
892F40.2Very low37.4Very low137 Ų137130.6 Ų130.660%0.60173%0.732SS**Hα-helixtrans-92.8-28175.7-166-103.2000112.6L889 E890 T896L889-F892 HydrophobicContact CD1-CB 4.21Å; L889-F892 PolarHBondContact O-N 2.97Å; L889-F892 VanDerWaalsContact O-N 3.16Å; E890-F892 PolarHBondContact O-N 2.9Å; F892-T896 PolarHBondContact O-OG1 3.14Å
893L42.2Very low37.2Very low132 Ų132129.7 Ų129.769%0.69174%0.735SS**Hα-helixtrans-77.6-38.7-176.5-73.1170000112.7E890 R895E890-L893 PolarHBondContact O-N 3.03Å; L893-R895 PolarHBondContact O-N 3.44Å
894E41.4Very low36.7Very low168 Ų168128.3 Ų128.379%0.78573%0.728SS**G310 helixtrans-64-29173.4-68.1-166.5124.300112.7T896E894-T896 VanDerWaalsContact C-N 3.25Å; E894-T896 PolarHBondContact O-N 2.82Å
895R40.8Very low37.3Very low212 Ų212127.9 Ų127.980%0.872%0.722SS**G310 helixtrans-76.7-5.1-173.4-151.7173.1-169.2153.77114.9L893L893-R895 PolarHBondContact O-N 3.44Å
896T35.4Very low38.4Very low105 Ų105126.5 Ų126.564%0.64472%0.721SS**G310 helixtrans-108.26.5-174-44.10000113.3F892 E894F892-T896 PolarHBondContact O-OG1 3.14Å; E894-T896 VanDerWaalsContact C-N 3.25Å; E894-T896 PolarHBondContact O-N 2.82Å
897L35.1Very low39Very low167 Ų167130.2 Ų130.287%0.87473%0.726SS**SBendtrans-115.114.2178.7-106.9170000114.6
898A32.1Very low39.6Very low74 Ų74131.2 Ų131.261%0.61272%0.716SS**SBendtrans-117.4134.1176.100000112.7
899E29.9Very low40.2Very low184 Ų184129.6 Ų129.686%0.8671%0.709SS**  trans59.488.9156.6-64.7-179.394.100120.7
900T28.9Very low41.1Very low136 Ų136125.8 Ų125.883%0.83470%0.702SS**  42.589.1109.7-39.60000120.4
901A30.6Very low41.9Very low90 Ų90123.4 Ų123.474%0.74469%0.694SS**  trans54.3-179.2131.500000120.5
902P43.2Very low42.1Very low123 Ų123127.7 Ų127.780%0.79971%0.708SS**  cis-118.1162-25.338.1-25.5000113.5
903A31.5Very low43Very low107 Ų107126.6 Ų126.688%0.88470%0.704SS**  trans-141.611815800000109.1
904S40.6Very low43.7Very low84 Ų84127.3 Ų127.359%0.58770%0.704SS**  trans-109.7133-164.846.40000114.2
905D39.5Very low44.2Very low114 Ų114126.4 Ų126.461%0.6170%0.704SS**  trans-81.2119.7158.9-178.6-18.1000108.4R907 T908D905-R907 PolarHBondContact O-N 3.24Å; D905-R907 PolarHBondContact OD1-N 3.35Å; D905-T908 PolarHBondContact O-N 2.93Å
906P54.2Low44.5Very low107 Ų107124.5 Ų124.570%0.69570%0.697SS**THydrogen-bonded Turntrans-65.1-10.7-169.224.8-35.2000115.1T908P906-T908 VanDerWaalsContact C-N 3.3Å; P906-T908 PolarHBondContact O-N 3.3Å
907R49.3Very low44.9Very low197 Ų197122.5 Ų122.574%0.74370%0.697SS**THydrogen-bonded Turntrans-73.4-18.4-178.9-165.1167.1-178.3165.10.7114.4D905D905-R907 PolarHBondContact O-N 3.24Å; D905-R907 PolarHBondContact OD1-N 3.35Å
908T52.6Low45.2Very low99 Ų99123.3 Ų123.361%0.60770%0.696SS**THydrogen-bonded Turntrans-93.3-20.7-171-48.70000113.8D905 P906D905-T908 PolarHBondContact O-N 2.93Å; P906-T908 VanDerWaalsContact C-N 3.3Å; P906-T908 PolarHBondContact O-N 3.3Å
909Q49.9Very low45.7Very low128 Ų128127.7 Ų127.760%0.59871%0.709SS**THydrogen-bonded Turntrans-70.6-40.7-176.8-76.7179.1-44.300113.4L911 M912 E913Q909-L911 VanDerWaalsContact C-N 3.33Å; Q909-L911 PolarHBondContact O-N 3.09Å; Q909-M912 PolarHBondContact O-N 3.24Å; Q909-M912 VanDerWaalsContact O-N 3.07Å; Q909-E913 PolarHBondContact O-N 3.01Å
910G59.9Low45.9Very low53 Ų53123.2 Ų123.255%0.54670%0.703SS.*Hα-helixtrans-59.6-36.7-173.100000114.8M912G910-M912 VanDerWaalsContact C-N 3.29Å; G910-M912 PolarHBondContact O-N 2.97Å
911L58.2Low46.2Very low127 Ų127123.6 Ų123.667%0.66570%0.7SS**Hα-helixtrans-74.5-16.3179.7-72.7169.4000113.8Q909Q909-L911 VanDerWaalsContact C-N 3.33Å; Q909-L911 PolarHBondContact O-N 3.09Å
912M48.2Very low46.8Very low138 Ų138123.8 Ų123.868%0.6869%0.694SS**Hα-helixtrans-88.3-28.4177.4-163.2-174.6-6200112.1Q909 G910Q909-M912 PolarHBondContact O-N 3.24Å; Q909-M912 VanDerWaalsContact O-N 3.07Å; G910-M912 VanDerWaalsContact C-N 3.29Å; G910-M912 PolarHBondContact O-N 2.97Å
913E58.6Low46.2Very low113 Ų113127.1 Ų127.153%0.52870%0.696SS.*Hα-helixtrans-73.9-40.1178.6-165.8118.6-109.300111.9Q909 L915 R916 G917Q909-E913 PolarHBondContact O-N 3.01Å; E913-L915 VanDerWaalsContact C-N 3.31Å; E913-L915 PolarHBondContact O-N 3.46Å; E913-R916 WeakPolarHBondContact O-CB 3.28Å; E913-R916 PolarHBondContact O-N 3.47Å; E913-R916 IonicContact OE1-CZ 2.81Å; E913-R916 IonicContact OE1-NH1 3.98Å; E913-R916 PolarHBondContact OE1-NH1 3.4Å; E913-R916 IonicContact OE1-NH2 2.71Å; E913-R916 PolarHBondContact OE1-NH2 3.23Å; E913-G917 PolarHBondContact O-N 3.24Å
914E56.8Low46.1Very low147 Ų147128.3 Ų128.369%0.68769%0.692SS**Hα-helixtrans-60.1-39.2177.1-170.5172.5-175.100112.2R916 G917E914-R916 VanDerWaalsContact C-N 3.26Å; E914-R916 PolarHBondContact O-N 3.22Å; E914-G917 PolarHBondContact O-N 2.88Å
915L53.3Low46.6Very low149 Ų149129.9 Ų129.978%0.7870%0.7SS**THydrogen-bonded Turntrans-68.9-18.3174.5-91.3164.9000114.2E913E913-L915 VanDerWaalsContact C-N 3.31Å; E913-L915 PolarHBondContact O-N 3.46Å
916R47.2Very low46.2Very low172 Ų172133.5 Ų133.565%0.64972%0.716SS**THydrogen-bonded Turntrans-85.8-15.9176.1-154.917477.6-109.9-2112.6E913 E914 Q918E913-R916 WeakPolarHBondContact O-CB 3.28Å; E913-R916 PolarHBondContact O-N 3.47Å; E913-R916 IonicContact OE1-CZ 2.81Å; E913-R916 IonicContact OE1-NH1 3.98Å; E913-R916 PolarHBondContact OE1-NH1 3.4Å; E913-R916 IonicContact OE1-NH2 2.71Å; E913-R916 PolarHBondContact OE1-NH2 3.23Å; E914-R916 VanDerWaalsContact C-N 3.26Å; E914-R916 PolarHBondContact O-N 3.22Å; R916-Q918 PolarHBondContact O-N 2.9Å
917G43.3Very low45.2Very low64 Ų64135.3 Ų135.366%0.6672%0.72SS**THydrogen-bonded Turntrans-79.7-11.3-170.100000117.1E913 E914E913-G917 PolarHBondContact O-N 3.24Å; E914-G917 PolarHBondContact O-N 2.88Å
918Q40.4Very low44.3Very low183 Ų183131.4 Ų131.486%0.85572%0.718SS**THydrogen-bonded Turntrans-11412.1-176.4-71.5-173.771.300114.4R916R916-Q918 PolarHBondContact O-N 2.9Å
919L43.8Very low43.3Very low166 Ų166132.3 Ų132.387%0.86972%0.724SS**  trans-12549.1-179-154.973.1000113.2
920A34.2Very low42.4Very low90 Ų90132.6 Ų132.674%0.74473%0.729SS**  trans-146.2136164.600000106.4
921D34.3Very low41.1Very low144 Ų144137.3 Ų137.377%0.7774%0.741SS**  cis-155.9-1490.8-154.610.5000107.5
922P44.4Very low39.7Very low95 Ų95135.7 Ų135.762%0.61774%0.74SS**  -112.2141.8-74.717.12.4000114.9
923F30Very low38.7Very low192 Ų192138.3 Ų138.384%0.84275%0.748SS**  trans55.3167.5131.3-101.4-91.4000125.3
924V29.8Very low37.2Very low132 Ų132138.7 Ų138.780%0.876%0.763SS**  trans71.1149.5163.1-73.50000120.5
925P50.8Low36.1Very low117 Ų117138.6 Ų138.676%0.7677%0.767SS**  trans-132.6-172.3-146.444.2-27.2000115.2
926M30.2Very low35.4Very low190 Ų190137.1 Ų137.194%0.93677%0.767SS**  trans-148.2159.6149.3-113.7-172-58.900112.1
927D33.8Very low34.6Very low146 Ų146133.7 Ų133.778%0.78178%0.775SS**  trans-112.6-163.7-177.7-147.1-42.7000110.1
928T30.6Very low33.9Very low115 Ų115134.1 Ų134.171%0.70678%0.78SS**  trans77.6113.1-178.368.50000114.3
929T32.6Very low33.6Very low118 Ų118131.6 Ų131.672%0.72478%0.782SS**  59.7132.77766.70000112.5
930D30.2Very low33Very low133 Ų133128 Ų12871%0.71178%0.776SS**  -170.117750.2-142.3-50.8000113.4
931L33.4Very low33Very low153 Ų153132.1 Ų132.180%0.80179%0.785SS**  trans63.3169.2162.1-58.4165.7000119.6
932S27.3Very low32.8Very low92 Ų92128.3 Ų128.364%0.64378%0.78SS**  cis-169.8129.4-47.7-172.40000111.5
933F27.5Very low32.3Very low194 Ų194132.5 Ų132.585%0.85180%0.796SS**  trans27.3140.8156.7-75.1-88000125.1
934S27.4Very low32.4Very low120 Ų120127 Ų12784%0.83979%0.786SS**  trans116.2136.1140.7-620000119.2
935D33.2Very low32.6Very low145 Ų145127.5 Ų127.578%0.77578%0.783SS**  trans-102.2154.7174.9-17834.5000109.8
936P38.8Very low31.7Very low118 Ų118131 Ų13177%0.76679%0.787SS**  -145.8150.8129.737.3-22.9000116.1
937A31.6Very low31.9Very low101 Ų101128.3 Ų128.384%0.83578%0.776SS**  trans-84.8160.3172.300000114.2
938G27.7Very low32.6Very low73 Ų73126.9 Ų126.975%0.75378%0.775SS**  trans-175.4150.7170.900000112.9
939S34.7Very low32.7Very low130 Ų130128.3 Ų128.391%0.90978%0.778SS**  trans-152.8147.9-177.4-69.50000112.5
940A31.1Very low33.3Very low89 Ų89130.7 Ų130.774%0.73679%0.786SS**  trans174.5132.4139.400000114.7
941L34.6Very low33.8Very low178 Ų178132.4 Ų132.493%0.93280%0.795SS**  trans34.9146.8131.6-48.6175.7000122.1
942G29Very low34.1Very low64 Ų64127.9 Ų127.966%0.6679%0.785SS**  cis161.1175.3-600000115
943L33.9Very low34.9Very low182 Ų182133.1 Ų133.195%0.95380%0.802SS**  trans75.2154167.4-50.9177.4000117.9
944A33.1Very low35.8Very low76 Ų76131.3 Ų131.363%0.62880%0.796SS**  cis-159.1155.54.900000115.5
945L32.1Very low36.3Very low144 Ų144135.4 Ų135.475%0.75479%0.793SS**  trans65.1154.4147.1-61166.9000120.4
946F33.2Very low36.5Very low191 Ų191137.3 Ų137.384%0.83880%0.803SS**  cis-145.6173.35.6-119.2-57.5000111.5
947D34.2Very low36.3Very low133 Ų133139 Ų13971%0.71181%0.805SS**  trans-114.8161.9179.3-176.842000110.9
948P49.6Very low36.3Very low116 Ų116137.1 Ų137.175%0.75380%0.796SS**  -153.5150.798.840-21.4000118.8
949N31.7Very low37Very low145 Ų145139.2 Ų139.278%0.77580%0.796SS**  trans113.1129131.3-144.7-6.2000118.7
950L45.1Very low36.8Very low168 Ų168139.5 Ų139.588%0.8879%0.792SS**  trans-151.4132-173.8-94.6169000110.7
951D40.6Very low37Very low169 Ų169141.7 Ų141.790%0.90480%0.797SS**  trans-160.9135.8157.7-16634000109.2
952G40.7Very low37.3Very low58 Ų58139.1 Ų139.160%0.59879%0.791SS**  cis-156.6154.4-5.300000111.4
953M44Very low37.6Very low201 Ų201139.7 Ų139.799%0.9980%0.797SS**  trans-140.397.8175.9-77.8-172.867.100111.8
954E44.9Very low37.7Very low157 Ų157137.4 Ų137.473%0.73479%0.793SS**  trans-123.3146.7164.652.2167.1-128.200107.1
955W38.5Very low37.6Very low205 Ų205138.5 Ų138.578%0.77780%0.801SS**  cis-136.7131.815.2-67.667.3000111.4
956L37.3Very low37.6Very low186 Ų186134.5 Ų134.597%0.97480%0.795SS**  trans-146.995.6151.4-84.3-176000108.1
957D35.1Very low37.7Very low154 Ų154134.5 Ų134.582%0.82480%0.795SS**  trans-125.2149.4174.1-162.91.1000110.1
958G32.3Very low37.8Very low61 Ų61134.5 Ų134.563%0.62980%0.802SS**  trans156.795.1-163.600000110
959P41.3Very low37Very low116 Ų116133.1 Ų133.175%0.75380%0.801SS**  trans-79.1143.1-158.828.5-35.8000114.2
960T30.3Very low36.9Very low136 Ų136135.5 Ų135.583%0.83481%0.807SS**  trans-150109.6157.3-63.30000108.8P962T960-P962 WeakPolarHBondContact O-CD 3.36Å
961T36.6Very low36Very low136 Ų136137.2 Ų137.283%0.83481%0.808SS**  trans-92.4123.4-178.945.40000112.5
962P40.1Very low35.7Very low124 Ų124135.8 Ų135.881%0.80580%0.8SS**  trans-98.613815234.8-28.1000110.5T960T960-P962 WeakPolarHBondContact O-CD 3.36Å
963G35.7Very low35.2Very low76 Ų76141.9 Ų141.978%0.78481%0.813SS**  trans-105.6164.6175.200000113.3
964P36Very low35.1Very low134 Ų134136.9 Ų136.987%0.8780%0.795SS**  trans-106.3164.1171.238.3-30.9000113.8
965A31.4Very low34.5Very low98 Ų98138 Ų13881%0.8180%0.8SS**  trans-94168.6174.100000111.8
966G30.4Very low34.1Very low61 Ų61135 Ų13563%0.62980%0.799SS**  cis161.7-171.3-3.900000112.6
967F36.5Very low34Very low191 Ų191134.7 Ų134.784%0.83880%0.795SS**  trans67.9164.4176.2-52.1-72.5000115
968P37Very low33.9Very low132 Ų132136.7 Ų136.786%0.85780%0.799SS**  cis-97.5-175.844.338.5-39.5000115.4
969A32.8Very low34.2Very low87 Ų87141 Ų14172%0.71981%0.807SS**  trans-146138.2172.800000110.9
970E29.6Very low33.7Very low195 Ų195143.3 Ų143.391%0.91181%0.813SS**  trans-166.9116158.8-130.3175.9-163.600111.7
971F25.8Very low33.8Very low204 Ų204146.2 Ų146.290%0.89582%0.815SS**  -168.1147.3128.9-155.6-105.7000109.5
972L34Very low33.9Very low140 Ų140151 Ų15173%0.73384%0.835SS**  trans-112.9141.5174.9-78.7129.2000109.4
973E30.3Very low33.6Very low185 Ų185152.3 Ų152.386%0.86484%0.836SS**  -172.2159.4109.9-95.7-146.9101.900111.4
974P40.7Very low33.5Very low97 Ų97156.3 Ų156.363%0.6384%0.839SS**  trans-98.4160.5-170.238.2-34.3000113.1
975H32.5Very low33.4Very low181 Ų181157.6 Ų157.684%0.83884%0.837SS**  trans-150.6149.8148-111.9-76.6000112.9
976D29.9Very low33.5Very low140 Ų140161.1 Ų161.175%0.74984%0.839SS**  trans59.4107.4162.1-62.23.3000120.5
977M36.3Very low33.7Very low180 Ų180167.3 Ų167.389%0.88785%0.852SS**  trans-63.5141149.2-56.4165.6-78.200109.8
978Q32.6Very low33.5Very low197 Ų197165.7 Ų165.792%0.92185%0.853SS**  -156.4138.9124.8-117.5167.96.700113.1
979L38.9Very low33.2Very low151 Ų151168.1 Ų168.179%0.79185%0.853SS**  trans-77.1149.7163.9-68160.4000108.8
980N30.9Very low33.3Very low165 Ų165174.4 Ų174.488%0.88286%0.863SS**  -155.9151.2124.8-107.1-13.5000111.7
981F32.1Very low33.6Very low196 Ų196172.7 Ų172.786%0.8686%0.859SS**  trans-84.9150.1164.8-83-111000109.6
982D38.9Very low34.3Very low236 Ų236169.8 Ų169.8100%1.26286%0.856SS**  trans-144.10136-150.53000106.5

Retrieved 982 of 982 residues in 487 ms (Link to these results)