A0A5K4EPV9_SCHMA Loading...

Basic helix-loop-helix transcription factor,putative

AlphaFold DB , UniProt , Accession A0A5K4EPV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 971 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M34.4Very low35.2Very low237 Ų237174.1 Ų174.1100%1.16785%0.852SS**  0109.50-56.9-54.4-94.400108.4
2H31.6Very low35Very low201 Ų201171.5 Ų171.593%0.93185%0.845SS**  trans-112.4142165.7-81.1-2.8000107.5
3G42.1Very low34.7Very low78 Ų78171.1 Ų171.180%0.80485%0.848SS**  trans-129.7126.2165.800000107.1
4E39.6Very low34.7Very low183 Ų183166.5 Ų166.586%0.85584%0.841SS**  trans-80.8141.8-166.8-63.4172.8113.100112.4Q6E4-Q6 PolarHBondContact O-N 3.32Å
5Q35.4Very low34.4Very low184 Ų184164.1 Ų164.186%0.8684%0.844SS**  trans-75.2109.9168.6-68.9-176.82.200109.8Q7Q5-Q7 PolarHBondContact O-N 3.25Å
6Q40.1Very low34.3Very low154 Ų154164.5 Ų164.572%0.7284%0.841SS**  trans-86.3107165-67.2-166.314.100110E4 Y8E4-Q6 PolarHBondContact O-N 3.32Å; Q6-Y8 HydrophobicContact CB-CD2 4.5Å; Q6-Y8 PolarHBondContact O-N 3.36Å
7Q30.6Very low34.5Very low175 Ų175161.1 Ų161.182%0.81884%0.835SS**  trans-72119.8167.9-67.5-176.7-3.900110Q5Q5-Q7 PolarHBondContact O-N 3.25Å
8Y33.7Very low34.6Very low190 Ų190161.2 Ų161.275%0.74583%0.831SS**  trans-119.8114.7162.5-91.5-84.4000110.6Q6Q6-Y8 HydrophobicContact CB-CD2 4.5Å; Q6-Y8 PolarHBondContact O-N 3.36Å
9R28.2Very low34.6Very low234 Ų234160.4 Ų160.488%0.88383%0.827SS**  trans-82.7115.4163.6-75.5179.7172179.4-2.5108.5
10T37.3Very low34.6Very low127 Ų127162.2 Ų162.278%0.77983%0.829SS**  trans-132.9130.2163.238.80000110.6
11N34.1Very low34.7Very low152 Ų152160.3 Ų160.381%0.81383%0.826SS**  trans-66.4149.6-168.5-51.4-46.6000113.5
12N32.6Very low34.5Very low143 Ų143153.2 Ų153.277%0.76580%0.8SS**SBendtrans26.8128144.4-57.50.9000119.7
13N31.5Very low34.7Very low166 Ų166149.1 Ų149.189%0.88879%0.791SS**SBendtrans75.849.7152.1-53.71.3000117.6
14S35Very low34.4Very low107 Ų107155.1 Ų155.175%0.74879%0.79SS**  trans-152.2135.2140.8-167.60000110.6
15C29.7Very low34.1Very low130 Ų130155.6 Ų155.688%0.87879%0.79SS**  trans-107.690.1174-69.40000109.2
16E33.1Very low34Very low171 Ų171153 Ų15380%0.79979%0.787SS**  trans-103.4103.6176.8-165.1167.8-160.300109.8Q18E16-Q18 PolarHBondContact O-N 3.44Å
17S37.1Very low33.4Very low107 Ų107150.9 Ų150.975%0.74879%0.788SS**  trans-80.595.6-167.1-58.70000113.1L19S17-L19 PolarHBondContact O-N 2.67Å
18Q36.5Very low33.6Very low162 Ų162151.1 Ų151.176%0.75779%0.787SS**  trans-81.4105.4168.4-65.3-169.97.100110.9E16 F20E16-Q18 PolarHBondContact O-N 3.44Å; Q18-F20 PolarHBondContact O-N 2.87Å
19L35.2Very low33.4Very low146 Ų146146.9 Ų146.976%0.76478%0.783SS**  trans-71.9114.7173.6-106.770.6000110.9S17 T21S17-L19 PolarHBondContact O-N 2.67Å; L19-T21 HydrophobicContact CD2-CG2 4.37Å
20F33.6Very low33.6Very low196 Ų196146.3 Ų146.386%0.8678%0.783SS**  trans-93.597.6160.6-92.6-91.4000109.6Q18 S22Q18-F20 PolarHBondContact O-N 2.87Å; F20-S22 PolarHBondContact O-N 3.29Å
21T37.4Very low33.5Very low124 Ų124147.3 Ų147.376%0.76178%0.784SS**  trans-80110.2178.151.50000111.2L19L19-T21 HydrophobicContact CD2-CG2 4.37Å
22S29.5Very low33.4Very low88 Ų88143.7 Ų143.762%0.61578%0.782SS**  trans-100.5132.8165.4-177.20000109.1F20 Y24F20-S22 PolarHBondContact O-N 3.29Å; S22-Y24 PolarHBondContact O-N 2.82Å
23P36.7Very low33.3Very low115 Ų115144.3 Ų144.375%0.74778%0.784SS**THydrogen-bonded Turntrans-73.918.3-162.729.4-36.7000116.2
24Y35.7Very low33.2Very low203 Ų203143.1 Ų143.180%0.79678%0.778SS**THydrogen-bonded Turntrans-130.9-1.4-175.4-71.4-75.1000115.7S22S22-Y24 PolarHBondContact O-N 2.82Å
25F33.8Very low33Very low193 Ų193142.9 Ų142.985%0.84677%0.771SS**  trans-145.4108.4175.6-90.6-86.5000112.7C27F25-C27 PolarHBondContact O-N 3.26Å
26T32.7Very low33Very low129 Ų129141.6 Ų141.679%0.79176%0.76SS**  trans-8993.116937.30000110.7F28T26-F28 PolarHBondContact O-N 3.01Å
27C28.2Very low32.9Very low110 Ų110139.6 Ų139.674%0.74376%0.759SS**  trans-85.8106.4173.9-168.90000110.9F25 C29F25-C27 PolarHBondContact O-N 3.26Å; C27-C29 PolarHBondContact O-N 2.9Å
28F33.8Very low32.5Very low181 Ų181139.1 Ų139.179%0.79476%0.756SS**  trans-82.691.3173.5-83.2-84000111.5T26 Y30T26-F28 PolarHBondContact O-N 3.01Å; F28-Y30 PolarHBondContact O-N 3.15Å; F28-Y30 VanDerWaalsContact O-N 3.14Å
29C30.2Very low32.2Very low100 Ų100140.1 Ų140.168%0.67676%0.761SS**  trans-7985.3168.1-70.10000110.9C27 N31C27-C29 PolarHBondContact O-N 2.9Å; C29-N31 PolarHBondContact O-N 2.71Å
30Y31.9Very low32Very low222 Ų222141.4 Ų141.487%0.87177%0.767SS**  trans-74.5110170.1-129.2-80.2000110F28F28-Y30 PolarHBondContact O-N 3.15Å; F28-Y30 VanDerWaalsContact O-N 3.14Å
31N35.5Very low31.6Very low149 Ų149142.8 Ų142.880%0.79777%0.768SS**  trans-85.5137.9178-80.7-62.7000111.3C29C29-N31 PolarHBondContact O-N 2.71Å
32G31.7Very low31.4Very low76 Ų76145 Ų14578%0.78477%0.77SS**  trans102.753.2144.900000119.6
33I31.2Very low31.4Very low155 Ų155149 Ų14980%0.79578%0.779SS**  trans-125.4104143.8-46.3-178.3000109.2V35I33-V35 HydrophobicContact CB-CG2 4.42Å; I33-V35 HydrophobicContact CG2-CG2 3.54Å; I33-V35 PolarHBondContact O-N 2.84Å; I33-V35 VanDerWaalsContact O-N 3.14Å
34N28.8Very low31.2Very low142 Ų142150.7 Ų150.776%0.75978%0.782SS**  trans-86.676.2179.9-169.615.8000110.6T36N34-T36 VanDerWaalsContact C-N 3.29Å; N34-T36 PolarHBondContact O-N 3.43Å
35V30.7Very low30.9Very low102 Ų102145.8 Ų145.862%0.61878%0.777SS**  trans-77.278.3178.6-172.10000110.3I33 T37I33-V35 HydrophobicContact CB-CG2 4.42Å; I33-V35 HydrophobicContact CG2-CG2 3.54Å; I33-V35 PolarHBondContact O-N 2.84Å; I33-V35 VanDerWaalsContact O-N 3.14Å; V35-T37 VanDerWaalsContact C-N 3.35Å; V35-T37 HydrophobicContact CG1-CG2 3.96Å; V35-T37 PolarHBondContact O-N 3.49Å
36T30.6Very low30.8Very low103 Ų103143 Ų14363%0.63277%0.77SS**  trans-7784.3167.551.10000110.2N34 S38N34-T36 VanDerWaalsContact C-N 3.29Å; N34-T36 PolarHBondContact O-N 3.43Å; T36-S38 PolarHBondContact O-N 3.3Å
37T30.8Very low30.7Very low129 Ų129144.9 Ų144.979%0.79178%0.775SS**  trans-72.464.9169.829.80000111.6V35V35-T37 VanDerWaalsContact C-N 3.35Å; V35-T37 HydrophobicContact CG1-CG2 3.96Å; V35-T37 PolarHBondContact O-N 3.49Å
38S28.9Very low30.8Very low97 Ų97144.5 Ų144.568%0.67877%0.774SS**  trans-160.3142.8170.8-76.90000107.9T36T36-S38 PolarHBondContact O-N 3.3Å
39Q29.6Very low30.7Very low183 Ų183142 Ų14286%0.85578%0.778SS**  trans77.963.9-172.5-52.4-72.21.800116.8
40L31.1Very low30.7Very low172 Ų172143.1 Ų143.190%0.90178%0.783SS**  trans-137.969.3149.6-98179.5000110.7
41Y25.4Very low30.7Very low226 Ų226139.5 Ų139.589%0.88678%0.784SS**  trans-140.450.8175.1-150.2-85.6000112.3
42Q32.6Very low30.4Very low169 Ų169138.3 Ų138.379%0.7978%0.782SS**  trans-158.8118.6160.8-103.9157.142.500106.2
43Q29.4Very low30.3Very low172 Ų172141.1 Ų141.180%0.80479%0.788SS**  79.67757.7-170.3176.158.800113
44N32.2Very low30.4Very low151 Ų151139.8 Ų139.881%0.80779%0.787SS**  trans-171135.5139.9-89.5-40.3000106.9
45S30.1Very low30.6Very low101 Ų101137.6 Ų137.671%0.70678%0.783SS**  64.7122.354.8-135.10000110.8
46I30.6Very low30.8Very low134 Ų134139.4 Ų139.469%0.68779%0.79SS**  cis-146.9145.213.4-57.2160.1000108.4
47N32Very low31Very low168 Ų168141 Ų14190%0.89879%0.789SS**  trans-171.8135.7133.9-97.4-23.7000112.7
48S29Very low31.1Very low103 Ų103143.5 Ų143.572%0.7279%0.79SS**  trans-95130.7-164.7-51.50000113.6
49S33.4Very low31.1Very low127 Ų127142.6 Ų142.689%0.88880%0.796SS**  trans-136.5113.5152.9-77.40000108.4
50T28.9Very low31.1Very low125 Ų125140 Ų14077%0.76780%0.796SS**  trans-93.5117.6-171.248.80000112.8
51T32.5Very low31Very low145 Ų145137.1 Ų137.189%0.8979%0.79SS**  trans-133.2116.4150.5-56.40000108.5
52T28.9Very low31.3Very low124 Ų124132.9 Ų132.976%0.76179%0.788SS**  trans-96126.9-177.349.10000111.7
53C29.8Very low31.1Very low136 Ų136129.8 Ų129.892%0.91979%0.785SS**  trans-144.4155.1149-1020000108.9
54T32.7Very low31.2Very low126 Ų126127.9 Ų127.977%0.77379%0.788SS**  trans-124.9151.2-156.753.50000113.8
55S34.2Very low31.1Very low97 Ų97128.4 Ų128.468%0.67879%0.789SS**  trans35.3139.4140.9-73.30000121.3
56N34.4Very low31.1Very low140 Ų140128.4 Ų128.475%0.74979%0.789SS**  cis-158.6-168.40.4-84-23.3000105.9
57H34.9Very low31Very low136 Ų136127.4 Ų127.463%0.6379%0.794SS**  cis-157.6173.89.3-162.2-110.2000110.8
58F32.6Very low30.9Very low182 Ų182123.9 Ų123.980%0.79878%0.783SS**  trans67.3134175.7-60.8-78.9000116.2
59G29.5Very low31Very low78 Ų78126.6 Ų126.680%0.80478%0.781SS**  cis125.883.9-6.700000112.9
60C29.1Very low31Very low128 Ų128131.1 Ų131.187%0.86578%0.78SS**  trans-117.8132.7172.9-164.40000109.8
61S28.3Very low31.2Very low111 Ų111130.6 Ų130.678%0.77677%0.773SS**  trans-121.1120-176.657.90000110.9
62T33.4Very low31.4Very low137 Ų137130.2 Ų130.284%0.8477%0.77SS**  trans-117.7121.3171.542.90000110.1
63S28.5Very low31.9Very low104 Ų104132.5 Ų132.573%0.72777%0.772SS**  trans-80.3148-179.3-56.50000111.5
64P30Very low32.3Very low132 Ų132133.9 Ų133.986%0.85776%0.763SS**  trans-71.8131.9172.730-33.5000110.8
65I30.8Very low32.6Very low162 Ų162135.3 Ų135.383%0.83177%0.765SS**  trans-106124.7170.5-63.3178.4000108.6
66S29Very low32.8Very low101 Ų101135.2 Ų135.271%0.70676%0.757SS**  trans-102.2135.5176.5580000111.4
67S28.9Very low33.1Very low113 Ų113135.2 Ų135.279%0.7976%0.756SS**  trans66154175.781.20000114.9
68S31Very low33.8Very low95 Ų95130.4 Ų130.466%0.66474%0.737SS**  cis-150150.98.660.30000112.3
69K31.2Very low34.2Very low159 Ų159127.8 Ų127.869%0.69173%0.731SS**  trans52.294.3159.7-163.2-170-174.8-113.40116.6D71K69-D71 VanDerWaalsContact CE-OD1 3.29Å; K69-D71 WeakPolarHBondContact CE-OD1 3.36Å; K69-D71 IonicContact NZ-OD1 3.63Å; K69-D71 PolarHBondContact NZ-OD1 3.02Å; K69-D71 IonicContact NZ-OD2 3.41Å; K69-D71 PolarHBondContact NZ-OD2 3.11Å
70Y33.2Very low34.7Very low222 Ų222130.1 Ų130.187%0.87172%0.724SS**  trans-100.5125.5154-75.4-85.8000109
71D32.5Very low35.4Very low115 Ų115129.5 Ų129.562%0.61571%0.711SS**  trans-76.7133.7165-61.3-66.2000107.7K69 E73K69-D71 VanDerWaalsContact CE-OD1 3.29Å; K69-D71 WeakPolarHBondContact CE-OD1 3.36Å; K69-D71 IonicContact NZ-OD1 3.63Å; K69-D71 PolarHBondContact NZ-OD1 3.02Å; K69-D71 IonicContact NZ-OD2 3.41Å; K69-D71 PolarHBondContact NZ-OD2 3.11Å; D71-E73 PolarHBondContact O-N 3.39Å; D71-E73 VanDerWaalsContact O-N 3.13Å
72V37.5Very low36Very low136 Ų136129.9 Ų129.982%0.82470%0.704SS**  trans-87.286.2-172-175.50000110.1
73E38.8Very low36.1Very low173 Ų173127.4 Ų127.481%0.80869%0.693SS**  trans-69.7143.6162.9-67.1-167.3132.900110.3D71 L75D71-E73 PolarHBondContact O-N 3.39Å; D71-E73 VanDerWaalsContact O-N 3.13Å; E73-L75 PolarHBondContact O-N 3.41Å; E73-L75 VanDerWaalsContact O-N 3.09Å
74F37.9Very low36.5Very low164 Ų164127.2 Ų127.272%0.71969%0.687SS**  trans-69.5103.4171.1-101.7-108.7000108.4D76F74-D76 PolarHBondContact O-N 2.64Å; F74-D76 VanDerWaalsContact O-N 3.17Å
75L38.9Very low36.6Very low157 Ų157126.4 Ų126.482%0.82269%0.685SS**  trans-63.2113.7161.6-74.2172.3000107.9E73 L77E73-L75 PolarHBondContact O-N 3.41Å; E73-L75 VanDerWaalsContact O-N 3.09Å; L75-L77 PolarHBondContact O-N 3.25Å
76D38.6Very low36.7Very low95 Ų95123.9 Ų123.951%0.50868%0.682SS.*  trans-72.4121.3-178.1-157.148.7000108.9F74 T78F74-D76 PolarHBondContact O-N 2.64Å; F74-D76 VanDerWaalsContact O-N 3.17Å; D76-T78 PolarHBondContact O-N 3.42Å; D76-T78 WeakPolarHBondContact OD2-CB 3.22Å; D76-T78 PolarHBondContact OD2-OG1 3.24Å
77L40.7Very low36.9Very low139 Ų139124.3 Ų124.373%0.72868%0.679SS**THydrogen-bonded Turntrans-736.2-172.8-118.671.6000113.8L75L75-L77 PolarHBondContact O-N 3.25Å
78T49.7Very low36.9Very low36 Ų36124.4 Ų124.422%0.22168%0.68CS.*THydrogen-bonded Turntrans-75.5-31.7-168.4-500000113.2D76 R659D76-T78 PolarHBondContact O-N 3.42Å; D76-T78 WeakPolarHBondContact OD2-CB 3.22Å; D76-T78 PolarHBondContact OD2-OG1 3.24Å; T78-R659 HydrophobicContact CG2-CG 4.24Å; T78-R659 PolarHBondContact O-NH2 3.06Å
79D40.4Very low37Very low126 Ų126130 Ų13067%0.67469%0.688SS**THydrogen-bonded Turntrans-83.2-21.4-172.9-64.3-14.9000113.6I81 S83D79-I81 PolarHBondContact O-N 3.38Å; D79-S83 PolarHBondContact O-OG 2.76Å
80L40.6Very low37.2Very low127 Ų127128.2 Ų128.267%0.66569%0.691SS**THydrogen-bonded Turntrans-72.2-18.4178-168.360.4000112.3
81I43.6Very low36.9Very low116 Ų116124.7 Ų124.760%0.59569%0.687SS**G310 helixtrans-81.9-30.4-173.3-61.4175.5000112.3D79 S83D79-I81 PolarHBondContact O-N 3.38Å; I81-S83 VanDerWaalsContact C-N 3.26Å; I81-S83 PolarHBondContact O-N 3.14Å
82D40.7Very low36.7Very low118 Ų118124.8 Ų124.863%0.63170%0.696SS**G310 helixtrans-86.16.5176.1-76-47000112.9R659D82-R659 IonicContact OD2-CZ 2.88Å; D82-R659 IonicContact OD2-NH1 2.71Å; D82-R659 PolarHBondContact OD2-NH1 2.96Å; D82-R659 IonicContact OD2-NH2 2.9Å; D82-R659 PolarHBondContact OD2-NH2 3.46Å
83S36.6Very low36.1Very low86 Ų86123.9 Ų123.960%0.60170%0.696SS**G310 helixtrans-108.2-3.9-173.8-63.10000115.6D79 I81D79-S83 PolarHBondContact O-OG 2.76Å; I81-S83 VanDerWaalsContact C-N 3.26Å; I81-S83 PolarHBondContact O-N 3.14Å
84T35.9Very low35.6Very low99 Ų99124.2 Ų124.261%0.60769%0.694SS**  trans-111.661.4-171.460.10000113.4
85S32.9Very low35Very low116 Ų116120.4 Ų120.481%0.81169%0.688SS**  trans-98.422.5179.751.50000114.6
86S32Very low34.6Very low109 Ų109118 Ų11876%0.76268%0.68SS**  trans-158.455.8-178.653.30000114.5
87V33.4Very low34.1Very low109 Ų109119.7 Ų119.766%0.66169%0.689SS**  trans-131.2104.6168.8-1730000110.5Y89V87-Y89 HydrophobicContact CG1-CD2 3.92Å; V87-Y89 HydrophobicContact CG1-CE2 4.2Å
88S28.8Very low33.5Very low116 Ų116122 Ų12281%0.81169%0.689SS**  trans-77.5117.3169.238.80000110.3
89Y33Very low32.6Very low211 Ų211125.9 Ų125.983%0.82772%0.715SS**  trans-107.4107.1167-109.8-83.6000109.1V87V87-Y89 HydrophobicContact CG1-CD2 3.92Å; V87-Y89 HydrophobicContact CG1-CE2 4.2Å
90T35.1Very low32Very low122 Ų122125.6 Ų125.675%0.74872%0.718SS**  trans-69.5136.917453.20000111.3
91D26.4Very low31.7Very low149 Ų149127.3 Ų127.380%0.79772%0.722SS**  trans32.886.8165.2-73.9-45.4000118.4
92C28.4Very low31Very low117 Ų117130.8 Ų130.879%0.79173%0.733SS**  trans-12692.2148.5-86.30000108.4F94C92-F94 VanDerWaalsContact C-N 3.29Å; C92-F94 PolarHBondContact O-N 3.01Å
93S26.2Very low30.4Very low117 Ų117132.2 Ų132.282%0.81874%0.74SS**  trans-66.980.2-178.3-41.60000111.9S95S93-S95 PolarHBondContact O-N 3.01Å; S93-S95 VanDerWaalsContact O-N 3.16Å
94F27.6Very low30Very low179 Ų179136.5 Ų136.579%0.78575%0.748SS**  trans-81.194.8175.6-141.7-83.2000109.2C92 V96C92-F94 VanDerWaalsContact C-N 3.29Å; C92-F94 PolarHBondContact O-N 3.01Å; F94-V96 HydrophobicContact CD1-CG2 4.39Å; F94-V96 PolarHBondContact O-N 2.9Å
95S26.3Very low29.5Very low84 Ų84136.3 Ų136.359%0.58775%0.751SS**  trans-6399.5172.6-1660000109.1S93 D97S93-S95 PolarHBondContact O-N 3.01Å; S93-S95 VanDerWaalsContact O-N 3.16Å; S95-D97 WeakPolarHBondContact CB-OD2 3.28Å; S95-D97 PolarHBondContact O-N 2.67Å; S95-D97 PolarHBondContact OG-OD2 3.13Å
96V29.2Very low29.4Very low107 Ų107136.9 Ų136.965%0.64875%0.753SS**  trans-81.475.9166.6-1760000106.6F94 Y98F94-V96 HydrophobicContact CD1-CG2 4.39Å; F94-V96 PolarHBondContact O-N 2.9Å; V96-Y98 VanDerWaalsContact C-N 3.27Å; V96-Y98 HydrophobicContact CG1-CD2 4.23Å; V96-Y98 HydrophobicContact CG1-CE2 4.28Å; V96-Y98 PolarHBondContact O-N 2.72Å
97D28.7Very low29.2Very low130 Ų130135.7 Ų135.770%0.69575%0.745SS**  trans-61.591.4170.1-76.5-78.5000109S95 P99S95-D97 WeakPolarHBondContact CB-OD2 3.28Å; S95-D97 PolarHBondContact O-N 2.67Å; S95-D97 PolarHBondContact OG-OD2 3.13Å; D97-P99 WeakPolarHBondContact O-CD 3.36Å
98Y28.1Very low29Very low189 Ų189137.3 Ų137.374%0.74175%0.75SS**  trans-56.3124.4163.6-92.3-99.7000107.8V96 T100V96-Y98 VanDerWaalsContact C-N 3.27Å; V96-Y98 HydrophobicContact CG1-CD2 4.23Å; V96-Y98 HydrophobicContact CG1-CE2 4.28Å; V96-Y98 PolarHBondContact O-N 2.72Å; Y98-T100 PolarHBondContact O-N 3.27Å
99P30.3Very low29Very low116 Ų116139.6 Ų139.675%0.75375%0.752SS**  trans-73.875.9171.131.1-34.2000109.4D97 E101D97-P99 WeakPolarHBondContact O-CD 3.36Å; P99-E101 PolarHBondContact O-N 3.34Å
100T27.4Very low28.8Very low121 Ų121135.8 Ų135.874%0.74274%0.744SS**  trans-73.952.4165.950.70000110.6Y98 K102Y98-T100 PolarHBondContact O-N 3.27Å; T100-K102 PolarHBondContact O-N 2.63Å
101E35.1Very low28.5Very low162 Ų162136.5 Ų136.576%0.75774%0.743SS**  trans-70.2102.3175-82.8-69.315000109.3P99 L103P99-E101 PolarHBondContact O-N 3.34Å; E101-L103 PolarHBondContact O-N 3.34Å; E101-L103 VanDerWaalsContact O-N 3.08Å
102K28.8Very low28.7Very low190 Ų190138 Ų13883%0.82675%0.746SS**  trans-71.598.2-177.9-71179.4176.9177.90111.7T100T100-K102 PolarHBondContact O-N 2.63Å
103L28.3Very low28.8Very low147 Ų147140.2 Ų140.277%0.7775%0.75SS**  trans-134.4113.1159.5-63.5173.7000107.7E101E101-L103 PolarHBondContact O-N 3.34Å; E101-L103 VanDerWaalsContact O-N 3.08Å
104F27.6Very low28.9Very low177 Ų177141.4 Ų141.478%0.77675%0.747SS**  cis-121.5158.616-85.2-111.8000113.1
105S26.2Very low29.1Very low94 Ų94141.7 Ų141.766%0.65775%0.75SS**  trans-94.8137154.8-178.60000109.7S107S105-S107 PolarHBondContact OG-N 2.76Å
106C30.3Very low29.2Very low128 Ų128145.5 Ų145.587%0.86576%0.759SS**  trans-126.772.9162.3-76.20000108.6
107S28.9Very low29.1Very low85 Ų85146.8 Ų146.859%0.59476%0.756SS**  trans-69134166.7-85.60000111.4S105S105-S107 PolarHBondContact OG-N 2.76Å
108D28.7Very low29.1Very low142 Ų142144.6 Ų144.676%0.75975%0.751SS**  trans57.7104.9140.8-43-31000119.5
109I28.4Very low29.2Very low165 Ų165145.5 Ų145.585%0.84675%0.753SS**  trans-178.6129.7141.7-98.9153.1000107.6
110I28.8Very low29.2Very low131 Ų131147.4 Ų147.467%0.67276%0.757SS**  cis-159.7154.5-15.4-132.3171.2000107.2
111D28.8Very low29.3Very low136 Ų136145.7 Ų145.773%0.72776%0.763SS**  trans53.3126.2171.9-52.3-18.7000117.8
112E30.1Very low29Very low181 Ų181141.3 Ų141.385%0.84676%0.761SS**  6171.156-63.7-68.1162.900113.8
113D30.4Very low29.2Very low164 Ų164139 Ų13988%0.87776%0.763SS**  trans-154.9146.5145.7-117.4-26.6000110.3
114D29.5Very low29.3Very low141 Ų141139.6 Ų139.675%0.75477%0.766SS**  trans-64.2137.1-177.3-73.9-72.8000112.8
115H31.8Very low29.5Very low186 Ų186136.2 Ų136.286%0.86176%0.764SS**  177.9133.4114-92.1-54.9000115.9
116E27.1Very low29.7Very low164 Ų164139.9 Ų139.977%0.76677%0.772SS**  trans-47.7123.9160.5179-164.6-174.600113.5
117F28.2Very low29.8Very low134 Ų134141.1 Ų141.159%0.58877%0.77SS**  -170.2113.7124.3-123.4-103.8000117.4N811F117-N811 WeakPolarHBondContact CE2-ND2 3.29Å; F117-N811 WeakPolarHBondContact CZ-ND2 3.49Å
118S28.6Very low29.8Very low84 Ų84147.5 Ų147.559%0.58778%0.781SS**  trans31111.8142.9-178.40000123
119R30.1Very low30.2Very low207 Ų207145.5 Ų145.578%0.78178%0.776SS**  trans50.7126.7134.7-60.6179.5168.4-137.7-6.3120.7
120N29.5Very low30.4Very low157 Ų157142.2 Ų142.284%0.8477%0.768SS**  -177.1125.6101.4-94.3-27.1000114.9
121G29.5Very low30.6Very low85 Ų85144.6 Ų144.688%0.87678%0.775SS**  trans66.1129.8143.100000120.5
122G30.2Very low31Very low69 Ų69140.3 Ų140.371%0.71175%0.754SS**  trans167.93.3167.800000119.8I124G122-I124 PolarHBondContact O-N 3.5Å
123T31.4Very low31.3Very low142 Ų142139 Ų13987%0.87175%0.752SS**  trans-72.6118.7-178.639.80000112.3S125T123-S125 PolarHBondContact O-N 3.41Å
124I31Very low31.7Very low160 Ų160136.1 Ų136.182%0.82174%0.744SS**  trans-86.9107.9179-62.6172000109.4G122 M126G122-I124 PolarHBondContact O-N 3.5Å; I124-M126 PolarHBondContact O-N 2.82Å
125S30.9Very low32Very low105 Ų105132 Ų13273%0.73473%0.729SS**  trans-73.1110.8174.3-56.90000111.4T123 L127T123-S125 PolarHBondContact O-N 3.41Å; S125-L127 VanDerWaalsContact C-N 3.27Å; S125-L127 PolarHBondContact O-N 2.91Å
126M30.4Very low32.4Very low171 Ų171130.2 Ų130.284%0.84272%0.719SS**  trans-74.479.1168.6-71.2-161.3-68.900110.9I124 W128I124-M126 PolarHBondContact O-N 2.82Å; M126-W128 PolarHBondContact O-N 3.35Å
127L32.4Very low33Very low154 Ų154127.8 Ų127.881%0.80671%0.711SS**  trans-72.6111.5177.6-166.175.1000110.3S125 P129S125-L127 VanDerWaalsContact C-N 3.27Å; S125-L127 PolarHBondContact O-N 2.91Å; L127-P129 VanDerWaalsContact O-CD 3.28Å; L127-P129 WeakPolarHBondContact O-CD 3.29Å
128W30.9Very low33.4Very low219 Ų219130.3 Ų130.383%0.8372%0.718SS**  trans-68.5122175.3-85.853.7000111M126 S130M126-W128 PolarHBondContact O-N 3.35Å; W128-S130 VanDerWaalsContact C-N 3.35Å; W128-S130 PolarHBondContact O-N 3.21Å
129P36.1Very low34Very low101 Ų101132.4 Ų132.466%0.65672%0.723SS**  trans-78.178.8178.3-15.833.1000112.7L127 T132L127-P129 VanDerWaalsContact O-CD 3.28Å; L127-P129 WeakPolarHBondContact O-CD 3.29Å; P129-T132 WeakPolarHBondContact CB-OG1 3.29Å
130S32.5Very low34.6Very low96 Ų96126.9 Ų126.967%0.67172%0.716SS**SBendtrans-57.3138.1150.2-67.10000108.4W128W128-S130 VanDerWaalsContact C-N 3.35Å; W128-S130 PolarHBondContact O-N 3.21Å
131H34.3Very low35.1Very low180 Ų180125.3 Ų125.383%0.83371%0.705SS**SBendtrans6869-174-36.8-75.9000116
132T36.4Very low36.1Very low47 Ų47127.9 Ų127.929%0.28870%0.698SS.*  trans-142.72.5162.2-27.30000115.5P129 S134 A135 F136P129-T132 WeakPolarHBondContact CB-OG1 3.29Å; T132-S134 VanDerWaalsContact C-N 3.31Å; T132-S134 PolarHBondContact O-N 2.89Å; T132-A135 HydrophobicContact CG2-CB 4.27Å; T132-A135 PolarHBondContact O-N 2.84Å; T132-F136 HydrophobicContact CG2-CD2 3.89Å; T132-F136 HydrophobicContact CG2-CE2 3.74Å
133I37.2Very low36.4Very low154 Ų154127.9 Ų127.979%0.7970%0.698SS**Hα-helixtrans-67.3-26.9-172.4-63.8176.9000113.2
134S37.7Very low36.5Very low102 Ų102124.5 Ų124.571%0.71369%0.691SS**Hα-helixtrans-78.2-22.7176.753.70000114.4T132T132-S134 VanDerWaalsContact C-N 3.31Å; T132-S134 PolarHBondContact O-N 2.89Å
135A36.9Very low36.8Very low54 Ų54124.3 Ų124.345%0.44669%0.69SS.*Hα-helixtrans-84.5-41.9-175.400000112.7T132 L137 Y138 D139T132-A135 HydrophobicContact CG2-CB 4.27Å; T132-A135 PolarHBondContact O-N 2.84Å; A135-L137 PolarHBondContact O-N 3.44Å; A135-Y138 PolarHBondContact O-N 3.39Å; A135-D139 PolarHBondContact O-N 3.15Å
136F38.7Very low37.2Very low149 Ų149128.8 Ų128.865%0.65470%0.696SS**Hα-helixtrans-64.2-24-176.5-87.5-81.6000114.2T132 S140T132-F136 HydrophobicContact CG2-CD2 3.89Å; T132-F136 HydrophobicContact CG2-CE2 3.74Å; F136-S140 WeakPolarHBondContact O-CB 3.41Å; F136-S140 PolarHBondContact O-OG 3.34Å
137L39.8Very low37.6Very low113 Ų113127.4 Ų127.459%0.59269%0.692SS**Hα-helixtrans-77-26.7174.2-68.4173.3000113.2A135 M141A135-L137 PolarHBondContact O-N 3.44Å; L137-M141 WeakPolarHBondContact O-CG 3.42Å
138Y38.1Very low37.8Very low187 Ų187125.7 Ų125.773%0.73369%0.691SS**Hα-helixtrans-79.2-41.1-177.4-114.1-89.4000112.9A135A135-Y138 PolarHBondContact O-N 3.39Å
139D41.2Very low37.9Very low128 Ų128122.6 Ų122.668%0.68469%0.69SS**Hα-helixtrans-74-37.5-179.9-143.9-1000111.4A135 M141 L142 G143A135-D139 PolarHBondContact O-N 3.15Å; D139-M141 PolarHBondContact O-N 3.42Å; D139-M141 VanDerWaalsContact O-N 3.14Å; D139-L142 PolarHBondContact O-N 2.91Å; D139-G143 PolarHBondContact O-N 3.27Å
140S41.5Very low37.9Very low92 Ų92123 Ų12364%0.64370%0.695SS**Hα-helixtrans-60.3-24.5177.1-61.90000113.9F136F136-S140 WeakPolarHBondContact O-CB 3.41Å; F136-S140 PolarHBondContact O-OG 3.34Å
141M41.1Very low38Very low123 Ų123123.1 Ų123.161%0.60670%0.696SS**THydrogen-bonded Turntrans-84.2-8176.9-70.4-167.1-177.400114.1L137 D139L137-M141 WeakPolarHBondContact O-CG 3.42Å; D139-M141 PolarHBondContact O-N 3.42Å; D139-M141 VanDerWaalsContact O-N 3.14Å
142L48.7Very low37.8Very low140 Ų140119.8 Ų119.873%0.73370%0.7SS**THydrogen-bonded Turntrans-114.1-22.2-177.8-69.2172.3000114.2D139 G144D139-L142 PolarHBondContact O-N 2.91Å; L142-G144 PolarHBondContact O-N 3.22Å
143G37.1Very low37.7Very low68 Ų68123.4 Ų123.470%0.70172%0.722SS**  trans-72.2-2.317800000116.6D139 I145D139-G143 PolarHBondContact O-N 3.27Å; G143-I145 VanDerWaalsContact C-N 3.31Å; G143-I145 PolarHBondContact O-N 2.93Å
144G33.6Very low37.5Very low72 Ų72120.8 Ų120.874%0.74272%0.717SS**  trans-76.734.8-164.100000118.4L142L142-G144 PolarHBondContact O-N 3.22Å
145I37.5Very low37.1Very low155 Ų155125 Ų12580%0.79573%0.726SS**  trans-134.485.1178.1-48.3179.9000111.9G143G143-I145 VanDerWaalsContact C-N 3.31Å; G143-I145 PolarHBondContact O-N 2.93Å
146K39.2Very low37Very low199 Ų199129.4 Ų129.487%0.86574%0.742SS**  trans-154.9105.5162.1-159.9168.6-175.4177.40110.8P148K146-P148 WeakPolarHBondContact O-CD 2.83Å
147D38.4Very low36.8Very low142 Ų142130.1 Ų130.176%0.75975%0.753SS**  trans-69.2121.5-169-58.9-81.6000114.1N149D147-N149 VanDerWaalsContact C-N 3.29Å; D147-N149 PolarHBondContact O-N 3.28Å
148P36.7Very low36.3Very low118 Ų118132.5 Ų132.577%0.76676%0.764SS**SBendtrans-91.845.517838.1-35.9000112.1K146K146-P148 WeakPolarHBondContact O-CD 2.83Å
149N33.9Very low35.8Very low154 Ų154129.1 Ų129.182%0.82477%0.766SS**  trans-150.656.4-178.1-83.2-66.1000112.8D147D147-N149 VanDerWaalsContact C-N 3.29Å; D147-N149 PolarHBondContact O-N 3.28Å
150S35Very low35.5Very low109 Ų109127.9 Ų127.976%0.76277%0.768SS**  trans-143157.5171-166.70000111.9
151S34.3Very low35Very low99 Ų99134.2 Ų134.269%0.69278%0.778SS**  trans49.666.5175.161.80000117.1V153S151-V153 PolarHBondContact O-N 2.98Å
152A30Very low34.4Very low110 Ų110136.6 Ų136.691%0.90979%0.792SS**  trans-79.692.714000000107.8
153V34.4Very low33.6Very low123 Ų123135.3 Ų135.375%0.74579%0.794SS**  trans-132.7141176.7-1800000108.5S151S151-V153 PolarHBondContact O-N 2.98Å
154S32.9Very low33.4Very low100 Ų100136.4 Ų136.470%0.69979%0.791SS**  trans-55139.7-165.951.10000116N156S154-N156 PolarHBondContact O-N 2.84Å
155E29.8Very low33.3Very low191 Ų191138.8 Ų138.889%0.89379%0.792SS**  trans-56.3115.3149.2-59.4170.1117.600109.2
156N34.4Very low33Very low145 Ų145139.5 Ų139.578%0.77579%0.791SS**  trans174.291.6156.2-92.2-37.3000109.2S154S154-N156 PolarHBondContact O-N 2.84Å
157D34.8Very low32.8Very low165 Ų165136.4 Ų136.488%0.88279%0.789SS**  trans166.7100.9134.2-89.7-14.7000110.1
158I30Very low32.7Very low162 Ų162136 Ų13683%0.83179%0.792SS**  trans-87.7149.9171.2-62.5173000108.4
159C28.1Very low32.8Very low116 Ų116135.8 Ų135.878%0.78479%0.791SS**  trans67.997.7175.2-730000117.4
160S33.2Very low32.8Very low102 Ų102134.1 Ų134.171%0.71379%0.791SS**  -172.1131.3106.4-86.30000115.5
161R32.8Very low32.9Very low226 Ų226133.5 Ų133.585%0.85379%0.787SS**  trans51.1108.3136-55.4171.4-176.2-138-5.3117.1
162L27.1Very low32.8Very low173 Ų173135.7 Ų135.791%0.90679%0.791SS**  42.3122.683.7-76.1171.5000115.7
163S32.3Very low33Very low112 Ų112138 Ų13878%0.78379%0.787SS**  trans95133.6155.4-160.70000120.1
164S32.9Very low33.1Very low91 Ų91139 Ų13964%0.63679%0.787SS**  trans73.688.4147.634.90000121.5
165T30.9Very low33.2Very low122 Ų122140.4 Ų140.475%0.74879%0.792SS**  55.9130.8115.957.10000122.9
166H32.6Very low33.2Very low171 Ų171135.4 Ų135.479%0.79279%0.792SS**  trans58.5128145.8-84.1-111.6000118.1
167T34.7Very low33.4Very low134 Ų134131.9 Ų131.982%0.82279%0.79SS**  -157.3-175.461.636.40000114
168T35.1Very low33.3Very low132 Ų132131.4 Ų131.481%0.8179%0.787SS**  trans-97.3167.4-162.532.70000116.3
169P40.1Very low33.7Very low114 Ų114134.6 Ų134.674%0.7479%0.79SS**  trans-105.1167.1-164.440.7-37000116.2
170S32.6Very low34Very low120 Ų120136.5 Ų136.584%0.83979%0.792SS**  trans179.3156.9158.8-85.60000109.8
171S37.5Very low34.1Very low96 Ų96137.6 Ų137.667%0.67180%0.799SS**  cis-167.6157.8-1550.90000110.7
172N32.2Very low34.5Very low145 Ų145132.4 Ų132.478%0.77580%0.795SS**  trans26.3127.7152.7-51.9-23.4000121.8
173L35.5Very low34.9Very low159 Ų159130.2 Ų130.283%0.83279%0.791SS**  174.9111.9120.6-109.871.9000108
174L35.7Very low35.2Very low143 Ų143132.8 Ų132.875%0.74979%0.794SS**  87.2115.383.4-102.3169.3000116.4
175T34.6Very low35.2Very low130 Ų130134.5 Ų134.580%0.79880%0.8SS**  trans57.7109.9152.638.90000121.8
176G30.4Very low35.5Very low86 Ų86135.1 Ų135.189%0.88780%0.804SS**  97.7122.9104.600000119.1
177G37.6Very low35.7Very low71 Ų71132.6 Ų132.673%0.73280%0.803SS**  trans167.185168.900000114.8
178N32.8Very low35.8Very low154 Ų154134.5 Ų134.582%0.82481%0.808SS**  trans-83.7126.7171.3-91.7-7.9000111.1
179Y39.4Very low35.8Very low230 Ų230133.8 Ų133.890%0.90281%0.808SS**  trans-138.4120.9158.5-75.7-75.6000110
180N34.6Very low35.6Very low155 Ų155133.4 Ų133.483%0.82981%0.808SS**  trans-94.8141.1176.1-81.4-55.3000110.9
181C34.7Very low35.7Very low126 Ų126133.1 Ų133.185%0.85181%0.806SS**  trans-134.2137.3158.1-84.90000109.4
182P40.6Very low35.7Very low117 Ų117134.2 Ų134.276%0.7681%0.814SS**  trans-86.8163.1-170.935-36.8000114.1
183P36.4Very low35.7Very low127 Ų127132.6 Ų132.683%0.82581%0.814SS**  trans-78.4155.4179.432.8-36.1000113.5
184I37.7Very low35.7Very low166 Ų166133.2 Ų133.285%0.85182%0.817SS**  trans-113.2138.3172.3-66.2177.3000109.6
185T34Very low35.5Very low126 Ų126131.2 Ų131.277%0.77382%0.815SS**  trans-95.9137.5-17854.20000113.3
186T37.5Very low35.4Very low135 Ų135133.5 Ų133.583%0.82882%0.821SS**  trans-151.7120.4155.536.80000111.8
187P35.7Very low35.4Very low118 Ų118134.4 Ų134.477%0.76681%0.814SS**  trans-97.2152.6161.836.5-30.7000111.1
188L37.9Very low35.1Very low175 Ų175136 Ų13692%0.91681%0.814SS**  trans-150.4151170.8-106.5164.7000110.8
189S33.7Very low35.1Very low116 Ų116139.2 Ų139.281%0.81182%0.815SS**  trans-139.4136.2-164.2-48.20000113.7
190S36.2Very low34.7Very low107 Ų107135.4 Ų135.475%0.74881%0.81SS**  trans-164.4121.8160.349.10000107.4
191S35.2Very low34.6Very low113 Ų113138.9 Ų138.979%0.7981%0.811SS**  58.9125.472.5-55.50000111.1
192S37.2Very low34.6Very low120 Ų120138.3 Ų138.384%0.83981%0.809SS**  cis-150.6164.343.1-610000114.6
193S32.5Very low34.2Very low111 Ų111140 Ų14078%0.77681%0.812SS**  trans-72.6158.5170.654.90000113.7
194L36.2Very low34.2Very low171 Ų171141.9 Ų141.990%0.89581%0.813SS**  -160.5144.2127.3-107171.3000110.5
195S29.8Very low34Very low102 Ų102141.9 Ų141.971%0.71381%0.809SS**  trans-104.8155.1176.454.50000110.9
196L34Very low34Very low178 Ų178141 Ų14193%0.93281%0.809SS**  trans-168.7160.1151.9-106.7159.1000110.1
197S29.6Very low34.1Very low104 Ų104141.4 Ų141.473%0.72780%0.804SS**  trans-121.9159.5-164.5-51.10000114.2
198S30.7Very low34Very low106 Ų106142.8 Ų142.874%0.74180%0.803SS**  trans83.7158153.582.70000120.2
199R33.7Very low33.9Very low221 Ų221145.3 Ų145.383%0.83480%0.801SS**  trans86.596163-65.7171.6170.4178.7-4119.3
200N31.7Very low33.9Very low150 Ų150146.4 Ų146.480%0.80280%0.798SS**  43.3138.2117.6-70.4-15.2000121.7
201R31.5Very low33.9Very low227 Ų227149.6 Ų149.686%0.85781%0.806SS**  trans28.6132.3138-62.2-175.5173-158.3-1.9117.6
202S33.9Very low33.9Very low114 Ų114152.6 Ų152.680%0.79781%0.807SS**  cis-169.3174.646.152.50000113.7
203N33.8Very low33.8Very low153 Ų153154.3 Ų154.382%0.81881%0.805SS**  trans-41.4151.6172.3-51-6.1000115.9
204I35.5Very low33.9Very low166 Ų166157.9 Ų157.985%0.85181%0.81SS**  trans-152.9145.6135.1-101.3150.8000109.9
205E33.5Very low33.8Very low166 Ų166156.4 Ų156.478%0.77680%0.802SS**  trans-68.7162.2-166.4-53.7144.3122.300115.9
206S33.9Very low33.9Very low109 Ų109158 Ų15876%0.76280%0.803SS**  152.2165.8104.660.20000116.4
207I39.2Very low33.8Very low143 Ų143157.3 Ų157.373%0.73380%0.795SS**  trans77.473.6164.3-41.7-177.1000118.9
208I33.9Very low33.9Very low146 Ų146159.2 Ų159.275%0.74980%0.797SS**  1.9123.5128.4-55.2162.8000117.7
209R37.3Very low34Very low228 Ų228159.5 Ų159.586%0.8680%0.796SS**  -166.1148.1119.9-114.6176.2-66.9161.72.3112.9
210N33.5Very low33.6Very low140 Ų140154.1 Ų154.175%0.74979%0.791SS**  trans-79.2153.9176.4-52.17000110.5
211D36.3Very low33.5Very low173 Ų173153.5 Ų153.593%0.92579%0.786SS**  -160.6158.3119.4-99.1-29.8000112.6
212H33.7Very low33.3Very low176 Ų176153.2 Ų153.282%0.81579%0.787SS**  trans-77.7169.3-150-148.548.4000118.5
213I36.5Very low33.3Very low156 Ų156153.2 Ų153.280%0.878%0.782SS**  trans97.9142.8160.3-57.8154.8000116.7
214H34.8Very low33.1Very low187 Ų187152.5 Ų152.587%0.86678%0.778SS**  trans-108.7153.9-155.4-87-26.4000117.4
215D32.6Very low33Very low139 Ų139151 Ų15174%0.74377%0.771SS**  trans-65.6162.7157.6-60.6-78.2000112.4
216N32.8Very low33Very low136 Ų136149.3 Ų149.373%0.72777%0.768SS**  cis83.9101.128.7-148.316.2000114.6
217H31.5Very low32.8Very low163 Ų163150.7 Ų150.776%0.75577%0.771SS**SBendtrans53.2161.4167.6-89.8-74.1000121.7
218D32.4Very low32.6Very low144 Ų144148.7 Ų148.777%0.7777%0.766SS**  trans-48.3135.5-177.9-48.4-100.4000113.3
219P31.3Very low32.8Very low113 Ų113147.1 Ų147.173%0.73477%0.765SS**  -149.4167.395.240-24.6000116.7
220C25.7Very low32.5Very low107 Ų107142.1 Ų142.172%0.72376%0.759SS**  trans29.8124.7145.2-58.80000121.7
221I30.2Very low32.3Very low137 Ų137142.1 Ų142.170%0.70376%0.764SS**  35.8113.6127.6-48.9166.5000116.8
222Y26.4Very low32.1Very low221 Ų221137.5 Ų137.587%0.86776%0.757SS**  trans-154.9137.7139.6-111.3-67.5000114.8
223T34Very low32Very low114 Ų114135.7 Ų135.770%0.69975%0.754SS**  trans-86.9154.6167.651.10000111.2
224N29.3Very low31.6Very low138 Ų138134.2 Ų134.274%0.73875%0.747SS**  trans177.8151.8161.8-104.7-91.1000108
225L35.2Very low31.3Very low134 Ų134131 Ų13170%0.70274%0.741SS**  cis-170.2-173.9-26.6-145.777.3000110.1
226N32Very low31.2Very low132 Ų132129.8 Ų129.871%0.70674%0.743SS**  trans78133.6-177.7-55.8-28.4000113.7V228N226-V228 HydrophobicContact CB-CG2 4.38Å; N226-V228 WeakPolarHBondContact OD1-CG2 3.36Å
227V30.1Very low30.8Very low138 Ų138128 Ų12884%0.83674%0.74SS**  cis-117.6124.819163.20000109.7
228V35.6Very low30.6Very low101 Ų101128.4 Ų128.461%0.61275%0.745SS**  73.6135.458.3171.10000111.4N226N226-V228 HydrophobicContact CB-CG2 4.38Å; N226-V228 WeakPolarHBondContact OD1-CG2 3.36Å
229P37.3Very low30.4Very low112 Ų112126.4 Ų126.473%0.72774%0.742SS**  cis-137.5-166.521.626.70.3000117
230V30.6Very low30.4Very low123 Ų123125 Ų12575%0.74574%0.74SS**  trans88.286.8155.4-158.50000120.4
231V30.4Very low30.6Very low141 Ų141127.6 Ų127.686%0.85575%0.746SS**  32.7123.6122.2-173.90000119.4
232G31.3Very low30.6Very low76 Ų76126.5 Ų126.578%0.78475%0.749SS**  trans-168.223.8174.600000121.3
233N31.3Very low31Very low137 Ų137121 Ų12173%0.73374%0.743SS**  trans6.3130.2167.2-89.6-8.1000122.1
234N29.5Very low31.1Very low125 Ų125121.8 Ų121.867%0.66875%0.753SS**  trans73.4110133.7-61.5-22.6000122.1
235T28.6Very low31.3Very low121 Ų121119.1 Ų119.174%0.74276%0.758SS**  trans49.7125.2133.157.90000121.5
236S30Very low31.3Very low112 Ų112117.2 Ų117.278%0.78376%0.761SS**  trans77.2166.2145.5-164.90000117.2
237C24.7Very low31.6Very low98 Ų98117.8 Ų117.866%0.66277%0.769SS**  trans47.4103163.647.70000119.5
238M27.4Very low31.9Very low172 Ų172118.2 Ų118.285%0.84777%0.767SS**  trans75.2124.9133.1-58.2-174.37300120.2
239S28.3Very low32.2Very low102 Ų102121.5 Ų121.571%0.71378%0.781SS**  trans75.3117.4138.5-58.20000121.3
240A30.6Very low32.2Very low83 Ų83123.4 Ų123.469%0.68679%0.786SS**  79.4112.6127.300000122.2
241L30.4Very low32.6Very low162 Ų162125.3 Ų125.385%0.84879%0.79SS**  78.5143124.8-67.4173.4000122.4
242C30Very low33.1Very low114 Ų114125.4 Ų125.477%0.7779%0.786SS**  trans70.5156.4155.6-65.30000119.3
243S35.1Very low33.4Very low106 Ų106125.8 Ų125.874%0.74178%0.776SS**  cis-174.6146.1-39.8-1040000110
244S35.4Very low33.8Very low130 Ų130127 Ų12791%0.90978%0.777SS**  trans23.1131.4157.3-48.40000122.1
245G34.4Very low34.1Very low82 Ų82132.9 Ų132.985%0.84579%0.79SS**  trans-155.2134.1157.300000110.4
246A35Very low34.4Very low94 Ų94132.9 Ų132.978%0.77778%0.784SS**  trans-130.8158.7-17300000112
247V38.4Very low34.8Very low144 Ų144133.7 Ų133.787%0.87378%0.784SS**  trans-152.7141.2168.4-102.10000109.7
248N34.7Very low35.4Very low147 Ų147137.7 Ų137.779%0.78679%0.79SS**  trans-117.6162.8172.9-56.7-19.7000108.7
249D42.2Very low35.9Very low170 Ų170134.9 Ų134.991%0.90979%0.787SS**  trans-150.5149.2154.8-95.8-48.1000109.9
250D37.1Very low36.3Very low153 Ų153137.1 Ų137.182%0.81879%0.791SS**  trans-99-166.5-168.9-78.7-70.5000114.1
251I39.4Very low36.6Very low162 Ų162139.7 Ų139.783%0.83180%0.798SS**  trans116.8126.6162.6-64162000113
252D41.6Very low36.9Very low144 Ų144139 Ų13977%0.7779%0.794SS**  cis-151-166.5-2.7-146-30.3000113
253S36.8Very low37.4Very low83 Ų83139.3 Ų139.358%0.5879%0.794SS**  trans-122.8170.2-151.4-490000117.7
254H40Very low37.3Very low164 Ų164141 Ų14176%0.75980%0.801SS**  trans85.1118.7151.2-58.3-50.3000122.3
255R35.2Very low37.4Very low248 Ų248138 Ų13894%0.93679%0.79SS**  -156.1161.9101.1-126.8174-174.7-104.9-1.6113.7
256I36Very low37.6Very low120 Ų120141.5 Ų141.562%0.61579%0.788SS**  trans-138.7148.8-164.6-61168.6000111
257V38.8Very low37.7Very low130 Ų130144.3 Ų144.379%0.78879%0.79SS**  trans164.1110.9143.21520000107.7
258K37.6Very low37.6Very low182 Ų182144.9 Ų144.979%0.79178%0.783SS**  65.3138.673.8-69.1-176.2175179.90113.4
259S37.8Very low37.9Very low113 Ų113143.1 Ų143.179%0.7978%0.78SS**  cis-157.3160.721.750.10000115.2
260N35.5Very low37.6Very low148 Ų148139 Ų13979%0.79176%0.764SS**  trans-68.9163.2179.7-27.612.2000115.5
261V37.2Very low37.7Very low138 Ų138140.1 Ų140.184%0.83676%0.762SS**  -154141.8128173.10000109.8
262I35.8Very low37.6Very low146 Ų146142.8 Ų142.875%0.74976%0.761SS**  trans-131.2155.3162.9-29176.5000107.5
263P40.6Very low37.5Very low121 Ų121143 Ų14379%0.78676%0.762SS**  -149-170.2106.438.9-20.7000114.8
264T34.5Very low37.4Very low143 Ų143145.5 Ų145.588%0.87777%0.768SS**  trans-118.6171.3-15849.40000116.1
265G36.7Very low37.4Very low66 Ų66147.3 Ų147.368%0.6877%0.774SS**  trans122.1150.9172.500000113.2
266I38.1Very low37.2Very low155 Ų155140.8 Ų140.880%0.79577%0.766SS**  cis-159.2152.30.85.3172.2000110.9
267D37.4Very low37.1Very low153 Ų153143.1 Ų143.182%0.81878%0.778SS**  trans62140.1154.2-51.4-29.8000122.9
268E37Very low36.7Very low156 Ų156144.9 Ų144.973%0.72978%0.778SS**  trans-132.6141.7173.6-162.9-73.2149.900109.2S270E268-S270 VanDerWaalsContact CD-N 3.26Å; E268-S270 PolarHBondContact OE1-N 3.28Å; E268-S270 PolarHBondContact OE2-N 2.87Å
269P40.6Very low36.4Very low111 Ų111145.9 Ų145.972%0.72178%0.783SS**  trans-147.394.2156.336.4-17.3000116.7
270S36.5Very low36.1Very low83 Ų83148.1 Ų148.158%0.5878%0.781SS**  48.1125.9126.9790000123.1E268E268-S270 VanDerWaalsContact CD-N 3.26Å; E268-S270 PolarHBondContact OE1-N 3.28Å; E268-S270 PolarHBondContact OE2-N 2.87Å
271K38.6Very low36.1Very low177 Ų177146.5 Ų146.577%0.7778%0.781SS**  trans67.6122.6132.5-88.3179.9173.71720123.1
272R37.7Very low35.9Very low217 Ų217146.8 Ų146.882%0.81978%0.777SS**  trans81.1131.7155.6-56.3162.3-67172.6-1.2115.2
273D38Very low35.8Very low148 Ų148147.7 Ų147.779%0.79178%0.784SS**  -156.315165.9-112.2-21.4000117.3
274I36.8Very low35.5Very low136 Ų136147 Ų14770%0.69778%0.779SS**  trans-47133.9175.6-50.1162.1000115.3
275K38.1Very low35.4Very low203 Ų203147.7 Ų147.788%0.88378%0.777SS**  -176.1140127.2-98.4142.8-159.11510115.6
276S32.5Very low35.3Very low111 Ų111151.8 Ų151.878%0.77678%0.782SS**  trans-76.5145.2-179.5-28.40000113.5
277L33.7Very low34.9Very low168 Ų168150.3 Ų150.388%0.8878%0.78SS**  trans-138119.9146.2-86.5-179.8000109.9
278H30.2Very low34.7Very low168 Ų168148.2 Ų148.278%0.77878%0.777SS**  trans-70.6139.4165.3-120.964.5000109
279F32.1Very low34.4Very low202 Ų202146.3 Ų146.389%0.88678%0.781SS**  trans-147.5135151-111.4-75.8000110.7
280Q30.9Very low34Very low161 Ų161144.7 Ų144.775%0.75279%0.785SS**  trans-133.9126.1-175-170.5176.825.200107.7
281S34.6Very low33.9Very low113 Ų113148.9 Ų148.979%0.7980%0.799SS**  trans-148.1101.1-179600000111.6
282N33.1Very low33.7Very low144 Ų144149.8 Ų149.877%0.7780%0.803SS**  trans-75.7143.5166-63.8-32.1000109.7
283N33.3Very low33.5Very low165 Ų165146.7 Ų146.788%0.88280%0.802SS**  trans-154.1123.9155.8-118.2-17.4000110.3
284P35.3Very low33.4Very low106 Ų106144.2 Ų144.269%0.68880%0.797SS**  trans-94.2168-179.237-34.7000112.9
285L33Very low33.2Very low158 Ų158148.1 Ų148.183%0.82781%0.805SS**  trans152158.1134.8-81169000112.6
286I32.8Very low33.2Very low152 Ų152149.5 Ų149.578%0.77981%0.806SS**  trans6798.5172.1-41.9-175.2000114
287V31.5Very low33.2Very low125 Ų125147.8 Ų147.876%0.75881%0.806SS**  cis80.7131.536.9-172.20000114.5
288S31.6Very low33.3Very low109 Ų109147.8 Ų147.876%0.76281%0.805SS**  trans95.4124.9177.8-40.40000114.8
289S32.4Very low33.5Very low116 Ų116147.3 Ų147.381%0.81181%0.808SS**  cis-153.7122-11.2-760000109.7
290G32.2Very low33.5Very low77 Ų77142.9 Ų142.979%0.79480%0.802SS**  trans-108.5122.6168.200000110
291I33.6Very low33.7Very low171 Ų171142.2 Ų142.288%0.87781%0.809SS**  trans-96.8110.3172.4-62.6176.5000106.9
292F34Very low33.5Very low195 Ų195141.7 Ų141.786%0.85580%0.804SS**  trans-84.3118.2176.6-122.8-92.1000109.2
293D34.1Very low33.6Very low152 Ų152142.5 Ų142.581%0.81381%0.808SS**  trans-76.2143.7173.3-151.9-19.2000110.3
294S35.1Very low33.6Very low97 Ų97137.9 Ų137.968%0.67880%0.799SS**  trans-12689.7-161.1-68.10000112.1
295Y32.3Very low33.5Very low218 Ų218140.4 Ų140.486%0.85581%0.807SS**  trans-146.950.7178.4-120.5-74.2000116.5
296Y37.9Very low33.7Very low232 Ų232139.1 Ų139.191%0.9181%0.806SS**  trans-146.3109.3149.6-95.2-69.9000110.6
297G32.8Very low33.5Very low75 Ų75139.2 Ų139.277%0.77381%0.806SS**  trans-111123.3172.600000111
298I36.9Very low33.8Very low167 Ų167138.8 Ų138.886%0.85681%0.806SS**  trans-132.6147.2158.243.5170.6000107.6
299D33.7Very low33.8Very low158 Ų158139.4 Ų139.485%0.84581%0.81SS**  trans-78.2129.2-150.6-68.8-82.9000116.9
300S31.8Very low33.8Very low110 Ų110136.7 Ų136.777%0.76980%0.801SS**  trans22.2109.1141.8-53.10000119.6
301V34.8Very low33.6Very low146 Ų146144.7 Ų144.789%0.88581%0.807SS**  trans-135.1127.3134.4-162.20000109.9
302C31.9Very low33.3Very low103 Ų103141.3 Ų141.370%0.69680%0.799SS**  trans-73.5166.5171.4150000111.5
303D34.1Very low33.1Very low161 Ų161139.2 Ų139.286%0.86180%0.796SS**  cis-143.5170.8-4.1-85.8-45.9000104.4
304G34.8Very low33Very low67 Ų67136.8 Ų136.869%0.69179%0.787SS**  cis146.414331.500000107.7
305N32.1Very low32.8Very low160 Ų160138.6 Ų138.686%0.85680%0.795SS**  trans-68.2152.9-171.7-66.4-11.3000113.9
306T36.2Very low32.9Very low131 Ų131134.2 Ų134.280%0.80479%0.786SS**  176.6133.4106.8-69.10000111.8
307I30.3Very low32.5Very low153 Ų153130.6 Ų130.679%0.78579%0.788SS**  trans-86.2142.9175.9-58.6163.7000110.1
308P36.6Very low32.5Very low117 Ų117132.9 Ų132.976%0.7678%0.781SS**  trans-129.4137.2130.335.4-27.7000112.4
309S31.4Very low32.1Very low121 Ų121132.4 Ų132.485%0.84678%0.78SS**  trans-71.5135.9169.140.70000110.7
310G32.7Very low32.5Very low59 Ų59129.9 Ų129.961%0.60877%0.772SS**  trans179.979.4-174.500000114.1
311W28Very low32.3Very low245 Ų245128.4 Ų128.493%0.92878%0.775SS**  trans30.9124.3152.8-37.1-52.4000120
312S27.4Very low32.1Very low100 Ų100127.2 Ų127.270%0.69977%0.772SS**  trans52.9112.7140.6-49.30000118.5
313N29.8Very low32.1Very low151 Ų151128.8 Ų128.881%0.80778%0.778SS**  -179.3142.594.7-89.3-53.2000113.5
314T32.3Very low32.1Very low101 Ų101129.8 Ų129.862%0.6278%0.779SS**  trans13.2111.7143.7-43.90000118.5N316T314-N316 PolarHBondContact O-N 3.13Å
315T31.6Very low32Very low136 Ų136130.5 Ų130.583%0.83478%0.779SS**  trans-13.5113.1145.926.50000115.5
316N33.9Very low32Very low125 Ų125126.9 Ų126.967%0.66878%0.779SS**  trans-140112.7162.5-97.8-74.6000110.5T314 I318T314-N316 PolarHBondContact O-N 3.13Å; N316-I318 VanDerWaalsContact C-N 3.33Å; N316-I318 HydrophobicContact CB-CD1 4.29Å; N316-I318 HydrophobicContact CB-CG1 4.33Å; N316-I318 PolarHBondContact O-N 3.29Å
317V29.2Very low31.9Very low157 Ų157126.5 Ų126.595%0.95278%0.782SS**  trans-78.985.1172.1-177.80000108.3
318I33Very low31.9Very low122 Ų122124.2 Ų124.263%0.62678%0.775SS**  trans-128.1127.1175.4-60.3178.4000108.6N316 P320N316-I318 VanDerWaalsContact C-N 3.33Å; N316-I318 HydrophobicContact CB-CD1 4.29Å; N316-I318 HydrophobicContact CB-CG1 4.33Å; N316-I318 PolarHBondContact O-N 3.29Å; I318-P320 WeakPolarHBondContact O-CD 3.34Å
319N28.1Very low31.7Very low157 Ų157128 Ų12884%0.8478%0.782SS**  trans-107.6102.4174.8-1804.5000109.4
320P41.6Very low31.6Very low105 Ų105127.8 Ų127.868%0.68278%0.776SS**  trans-103.383.4-173.337.2-29.8000112.1I318 C322I318-P320 WeakPolarHBondContact O-CD 3.34Å; P320-C322 PolarHBondContact O-N 3.35Å
321G29.6Very low31.7Very low80 Ų80130.2 Ų130.283%0.82578%0.783SS**  trans-72.4104.1164.700000111.1
322C30.5Very low31.9Very low121 Ų121125.9 Ų125.982%0.81878%0.778SS**  trans-143.8119.5174.3-166.40000113P320P320-C322 PolarHBondContact O-N 3.35Å
323V30.1Very low31.9Very low136 Ų136130.3 Ų130.382%0.82479%0.785SS**  trans-81.8133.7178.5-84.60000113
324M34.2Very low32.2Very low181 Ų181128.9 Ų128.989%0.89279%0.785SS**  trans-159.5152.2152.5-80.1-61.2-85.400109.2
325A34.3Very low32Very low82 Ų82128.3 Ų128.368%0.67879%0.785SS**  cis-169.7135.8-36.600000109.7
326G32.2Very low32.1Very low84 Ų84130.7 Ų130.787%0.86679%0.786SS**  trans80.3161.5170.100000116.1
327S34.2Very low31.9Very low123 Ų123131.7 Ų131.786%0.8679%0.79SS**  cis-137.6144.9-1.7-172.90000113
328V28.7Very low32.2Very low105 Ų105129.4 Ų129.464%0.63678%0.78SS**  trans-63.4146.3179.1-168.40000112.2T330V328-T330 HydrophobicContact CG1-CG2 3.96Å
329H33.1Very low32Very low197 Ų197129.6 Ų129.691%0.91278%0.783SS**  trans-155.7133.5133-109.5-73000111.5
330T29Very low32.5Very low117 Ų117128.5 Ų128.572%0.71878%0.777SS**  trans-130.2128.1-167.452.10000113.2V328V328-T330 HydrophobicContact CG1-CG2 3.96Å
331S34.8Very low31.9Very low109 Ų109130.2 Ų130.276%0.76278%0.78SS**  trans179.1147.7162.653.10000110.1
332N32.4Very low32.1Very low155 Ų155132.8 Ų132.883%0.82978%0.775SS**  cis-159.8151.4-14.3-102.4-17.1000108
333F28.1Very low32.2Very low192 Ų192132.9 Ų132.984%0.84277%0.768SS**  trans-70.6160163.9-86.6-94.7000110.7
334P35.9Very low32.4Very low122 Ų122131.7 Ų131.779%0.79276%0.757SS**  -136.3134.298.732.6-19.2000113.7
335S28Very low32.4Very low89 Ų89128.8 Ų128.862%0.62275%0.745SS**  trans-79.2156.5159.349.10000110.3
336H33.6Very low32.3Very low185 Ų185131 Ų13186%0.85675%0.745SS**  trans-136.1133.3164.8-120.3-82.1000110.8
337I28.4Very low32.5Very low146 Ų146134.7 Ų134.775%0.74975%0.745SS**  trans-113127.2-178-66.4167.6000108.8
338S35.5Very low32.4Very low109 Ų109136 Ų13676%0.76274%0.742SS**  trans-150.9122.6151.1-68.40000104.7
339N29.6Very low32.9Very low127 Ų127137 Ų13768%0.67976%0.755SS**  cis70.3150.943.3-151.767.3000113.4
340D38Very low32.9Very low134 Ų134131.6 Ų131.672%0.71774%0.744SS**  trans70.3100-172.8-47.8-22.4000112.3
341N29.6Very low33.1Very low140 Ų140131.7 Ų131.775%0.74975%0.748SS**  cis65.46718.8-16830.1000115.4
342N33.8Very low33Very low134 Ų134134 Ų13472%0.71775%0.746SS**  trans-169.5127139.7-112.7-78.1000115.3
343N32.7Very low33.2Very low124 Ų124133.6 Ų133.666%0.66374%0.743SS**  69153.5126.9-121-31.8000125
344N34.2Very low33.4Very low110 Ų110129.6 Ų129.659%0.58874%0.735SS**  trans71.6110.1149.1-73.2-44.3000122.1
345N34.5Very low33.5Very low120 Ų120128.2 Ų128.264%0.64273%0.728SS**  75.8121.6122.4-60.4-23.7000121.4
346N31.7Very low34Very low128 Ų128132.1 Ų132.168%0.68474%0.736SS**  55.7119.4129.4-50.2-15.1000118.8
347N36.7Very low34.1Very low163 Ų163129.4 Ų129.487%0.87273%0.727SS**  -172.5157.392.5-91.7-52.7000112.7
348N32.4Very low34.5Very low149 Ų149128.6 Ų128.680%0.79773%0.73SS**  trans-86.9153.3-179-66.2-35.8000112.9
349S39Very low34.6Very low128 Ų128128.8 Ų128.890%0.89573%0.731SS**  trans-166.1116.4155.6-77.80000109.7
350A33.9Very low34.9Very low83 Ų83129 Ų12969%0.68674%0.736SS**  cis141103.6-24.400000110.9
351C33.4Very low34.9Very low118 Ų118128.5 Ų128.580%0.79774%0.74SS**  trans-157.394.6164.639.70000107.4
352H32.5Very low35.3Very low158 Ų158125.8 Ų125.873%0.73174%0.738SS**  53125.695.5-78.9-93000113.2
353L35.4Very low35.1Very low147 Ų147130.4 Ų130.477%0.7775%0.747SS**  cis-138.6128.336.8-70.3165.2000111.2
354T33.5Very low35.5Very low108 Ų108130.6 Ų130.666%0.66375%0.754SS**  49127.899.367.90000115.2
355S38Very low35.4Very low93 Ų93128.6 Ų128.665%0.6574%0.744SS**  cis-155.2150.333.2-70.90000115.1
356E37.1Very low35.4Very low171 Ų171125.6 Ų125.680%0.79973%0.732SS**  trans55.1144.9136-60.2-179.2129.600121.8
357L36.3Very low35.4Very low127 Ų127126.2 Ų126.267%0.66574%0.736SS**  cis-166.1137.6-5.8-110.5167.1000110.3
358T37.3Very low35.6Very low130 Ų130124.9 Ų124.980%0.79874%0.736SS**  trans56.8150.6153.650.30000121
359S37.6Very low35.8Very low113 Ų113121.7 Ų121.779%0.7973%0.73SS**  cis-155.5163.5-3.146.50000110.8
360V35.6Very low35.5Very low131 Ų131124.1 Ų124.179%0.79473%0.729SS**  trans-129142.2-175.3-177.30000110.7
361P38.6Very low35.6Very low123 Ų123128.6 Ų128.680%0.79974%0.736SS**  -134.5120.2121.531.2-17.4000111
362A36.7Very low35.9Very low84 Ų84127.7 Ų127.769%0.69473%0.729SS**  8399.77300000113.4
363Y30.5Very low36Very low231 Ų231128.6 Ų128.691%0.90673%0.733SS**  trans-76.1162.5166.5-76.1-93.8000111.7
364P40Very low36Very low127 Ų127127.7 Ų127.783%0.82574%0.739SS**  trans-118.3175.9133.836.4-31.2000112.5
365N33.3Very low36.2Very low68 Ų68128.1 Ų128.136%0.36474%0.742SS.*  trans-132162.3-154.7-17816.6000112.9N481 T483N365-N481 VanDerWaalsContact ND2-CG 3.31Å; N365-N481 PolarHBondContact ND2-ND2 3.27Å; N365-N481 PolarHBondContact ND2-OD1 3.01Å; N365-T483 VanDerWaalsContact OD1-CG2 3.28Å; N365-T483 WeakPolarHBondContact OD1-CG2 3.32Å; N365-T483 PolarHBondContact OD1-OG1 3.45Å
366S33.5Very low36.2Very low57 Ų57132 Ų13240%0.39975%0.749SS.*  trans73.2142.314663.10000122.7N481S366-N481 WeakPolarHBondContact CB-ND2 3.37Å; S366-N481 PolarHBondContact OG-ND2 3.1Å
367N32.5Very low36.2Very low142 Ų142129 Ų12976%0.75975%0.745SS**  trans64.6147.1161.3-69.7-4.5000117.4
368P40.3Very low36.4Very low134 Ų134129.4 Ų129.487%0.8775%0.753SS**  -128.8144.687.137.1-29.3000114.3
369A36Very low36.3Very low82 Ų82132.1 Ų132.168%0.67876%0.756SS**  trans-137.4125.1164.200000109.7
370M33.1Very low36.5Very low179 Ų179133.6 Ų133.688%0.88276%0.76SS**SBendtrans65.7154.8168.4-66.6-60.3-156.200120.4
371H36Very low36.5Very low178 Ų178133.8 Ų133.882%0.82476%0.756SS**  trans73.8151.1170.2-95.7-113.3000117.4
372P41Very low36.4Very low99 Ų99136.4 Ų136.464%0.64376%0.76SS**  -139.7-149-114.239.8-17.2000113.3
373E33.7Very low36.4Very low176 Ų176135.1 Ų135.182%0.82276%0.755SS**  trans82.390.2158.3-154.9167.8130.400117.8
374S36.4Very low37Very low128 Ų128132.8 Ų132.890%0.89575%0.754SS**  trans-158.1126.1143.3-84.10000111.8
375T37.2Very low36.8Very low117 Ų117132 Ų13272%0.71874%0.743SS**  trans-73.1141.4-176.844.70000114
376H36.9Very low37.1Very low175 Ų175138.1 Ų138.181%0.8176%0.762SS**  177.6160.5109.9-95.7-71.6000111
377P38.5Very low37.4Very low108 Ų108140.9 Ų140.970%0.70178%0.781SS**  trans-119.6158.7-135.741.1-31.7000115.6
378T39.7Very low37.7Very low136 Ų136137.3 Ų137.383%0.83478%0.778SS**  trans-81.5141.6158.839.90000110.9
379H35.8Very low37.8Very low186 Ų186136.3 Ų136.386%0.86178%0.782SS**  trans-69.4135.3-173.4-120.3-108.4000112.6
380V41Very low37.9Very low145 Ų145136 Ų13688%0.87979%0.786SS**  trans-128.4141.7152.3-144.50000108.4
381N35.4Very low38.2Very low134 Ų134130.9 Ų130.972%0.71778%0.779SS**  trans-98.7132.2-163.4172.531.1000112.3
382M37.5Very low38.4Very low179 Ų179129.7 Ų129.788%0.88278%0.784SS**  trans-175.8137.9140.6-99.9-54.1173.900111.8
383G36.9Very low38.2Very low56 Ų56129 Ų12958%0.57779%0.794SS**  trans111.7101.5148.200000119.6
384M42Very low38.5Very low182 Ų182124.1 Ų124.190%0.89779%0.792SS**  trans67.5147.9147.9-51-54.3176.300119.3
385N36.8Very low38.3Very low110 Ų110125 Ų12559%0.58879%0.786SS**  cis-167.1158.5-25.3-169.50.9000107.6
386Y39.1Very low38Very low198 Ų198125.9 Ų125.978%0.77679%0.786SS**  trans64.5140.2179.5-55.5-79.8000115.4
387S39.3Very low38Very low114 Ų114128.1 Ų128.180%0.79779%0.789SS**  cis-157.7159.5-9.6-79.90000106.8
388G38.9Very low38.1Very low67 Ų67126.9 Ų126.969%0.69179%0.788SS**  cis169155.5-2.600000110.2
389A42.3Very low38.8Very low114 Ų114126.3 Ų126.394%0.94279%0.786SS**  trans63.5146.4-175.600000116.8
390G39.2Very low39Very low74 Ų74121.3 Ų121.376%0.76378%0.777SS**  cis171.5151-7.800000112.4
391G39.3Very low39Very low72 Ų72120 Ų12074%0.74277%0.77SS**  trans79.6122.6-176.100000112.6
392V39.8Very low39.2Very low154 Ų154120.5 Ų120.593%0.93377%0.771SS**  cis74.996.422.1-162.30000115.3
393G37.3Very low39.2Very low83 Ų83120.1 Ų120.186%0.85677%0.768SS**  trans90120.3151.800000117
394G38.6Very low39.3Very low74 Ų74122.6 Ų122.676%0.76377%0.773SS**  trans160.381.8170.900000116.8
395N32.3Very low38.8Very low147 Ų147119.5 Ų119.579%0.78677%0.769SS**  27.7143.2125-103.89.8000122.4
396L32Very low39.4Very low135 Ų135120.4 Ų120.471%0.70778%0.781SS**  trans85135.3138.9-68.1164.3000121.8
397Y36Very low39.1Very low223 Ų223119.2 Ų119.288%0.87579%0.787SS**  trans81.3156.7151.9-86-128.6000119.8
398A41.7Very low39.1Very low82 Ų82120.5 Ų120.568%0.67879%0.789SS**  trans-130.5171.6-167.100000111.7
399P53.9Low38.8Very low123 Ų123120.1 Ų120.180%0.79979%0.785SS**  trans-115.6134.4136.334-26.4000109.5
400A40.7Very low38.6Very low82 Ų82122.6 Ų122.668%0.67878%0.782SS**  cis68.9122.422.900000111.9
401T40.1Very low38.4Very low117 Ų117124 Ų12472%0.71878%0.78SS**  cis-160.7175.219.144.70000112.6
402L39.2Very low38.3Very low144 Ų144128.2 Ų128.275%0.75479%0.785SS**  trans75.7146.2161.1-44.5-177000118.6
403Q37.7Very low38.1Very low171 Ų171125.2 Ų125.280%0.79977%0.771SS**  cis-158.7176.9-24.9-111.9-157.6-82.300109.8
404P39.2Very low38.1Very low108 Ų108126 Ų12670%0.70176%0.764SS**  trans-113.3-169.9-153.444.4-37.6000116.8
405C31.9Very low38Very low118 Ų118129.2 Ų129.280%0.79776%0.762SS**  trans-60.8158.4-177.4-39.30000116.2
406P49.2Very low38.3Very low129 Ų129130.3 Ų130.384%0.83876%0.762SS**  trans-96.114115135-28.4000112.3
407L32.2Very low38.5Very low173 Ų173132.7 Ų132.791%0.90677%0.77SS**  trans-126.497.3173.4175.175.7000109.7
408V40.2Very low39Very low141 Ų141127.4 Ų127.486%0.85576%0.762SS**  trans-154140.9169.7-169.80000106
409G32.1Very low38.7Very low58 Ų58129.8 Ų129.860%0.59877%0.773SS**  cis131.9140.93.100000110.4
410L38.8Very low37.9Very low167 Ų167131.1 Ų131.187%0.87477%0.773SS**  trans69.7106.8-176-45.8178.3000113.1
411S33.7Very low37.9Very low104 Ų104134.7 Ų134.773%0.72778%0.779SS**  86.6105.855.873.20000114.6
412D38Very low37.9Very low159 Ų159134.6 Ų134.685%0.8578%0.781SS**  -156.1177.2120-139.1-31.9000112.2
413S36Very low38.1Very low92 Ų92136.2 Ų136.264%0.64378%0.784SS**  trans-109.7148.3-147.7-43.40000113.4
414S36.8Very low38.6Very low100 Ų100134.4 Ų134.470%0.69979%0.787SS**  164.8129.8125.4-78.80000115.3
415I36.9Very low38.9Very low140 Ų140135.6 Ų135.672%0.71879%0.792SS**  trans60.9123.9130.4-59.1171.4000117.4
416Q37.1Very low39.5Very low171 Ų171138.2 Ų138.280%0.79979%0.792SS**  cis-157.8165.29.7-125.8159.46.200111.9
417H38Very low39.6Very low185 Ų185137.8 Ų137.886%0.85679%0.79SS**  trans-124.3-177174.9-78.9-71.8000109.4
418P45.3Very low40.2Very low111 Ų111137.2 Ų137.272%0.72179%0.787SS**  cis-130.9-176.9-22.326.7-4.5000113.1
419C35.2Very low40.5Very low133 Ų133138 Ų13890%0.89979%0.786SS**  -173.6162.3121.3-103.80000111.4
420N37.2Very low41.4Very low150 Ų150140.5 Ų140.580%0.80279%0.792SS**  trans-139.6133.4-160.5-173.825.5000112.9
421I40.3Very low41.5Very low158 Ų158139.4 Ų139.481%0.8179%0.787SS**  trans-139.7135.2168.4-61.6-178.2000108
422P41.5Very low42.2Very low115 Ų115140.2 Ų140.275%0.74779%0.79SS**PPolyproline II helixtrans-86.3159.6-168.9-5.925.7000114.3
423Q43.2Very low41.9Very low178 Ų178137.1 Ų137.183%0.83278%0.78SS**PPolyproline II helixtrans-85.4148.8167.6-69.4-172.3-26.100111.9
424P46.9Very low41.9Very low132 Ų132143.8 Ų143.886%0.85779%0.793SS**PPolyproline II helixtrans-72.8144.8171.431.4-34.4000111.3
425V45.6Very low41.9Very low134 Ų134143.9 Ų143.981%0.81279%0.794SS**  trans-106.4138.2-178-1760000110.1
426H45.1Very low41.7Very low172 Ų172143.2 Ų143.280%0.79680%0.801SS**  trans-60.1132.1174-98.2-98.2000112.2
427P52.3Low41.7Very low121 Ų121143 Ų14379%0.78680%0.804SS**  trans-66.8140.7155.6-1530.7000110.2
428L43Very low41.7Very low160 Ų160137.6 Ų137.684%0.83880%0.798SS**  trans-104.9149.3173.7-74166.1000110.5
429D46.7Very low41.1Very low157 Ų157140.3 Ų140.384%0.8480%0.802SS**  trans-64.4131.1-178.1-67.9-69.6000113.9N431D429-N431 PolarHBondContact O-N 2.82Å
430P51.6Low41.2Very low111 Ų111144.2 Ų144.272%0.72180%0.804SS**  trans-84.794172.832.9-32.3000111.1P432P430-P432 WeakPolarHBondContact O-CD 3.29Å
431N41.3Very low41.1Very low144 Ų144141.3 Ų141.377%0.7779%0.792SS**  trans-71.6119.9177-145.5-18.9000111.3D429D429-N431 PolarHBondContact O-N 2.82Å
432P47.2Very low41.1Very low122 Ų122142.2 Ų142.279%0.79280%0.796SS**  trans-105.595.2-177.935.6-25.4000112P430P430-P432 WeakPolarHBondContact O-CD 3.29Å
433S33.2Very low40.8Very low93 Ų93143.6 Ų143.665%0.6579%0.792SS**  trans-141.283.4179.950.40000113.5
434Y35.7Very low40.6Very low233 Ų233146.1 Ų146.191%0.91479%0.794SS**  trans-160.6155.6159.6-124.6-81.6000113.8
435S36.2Very low40.1Very low102 Ų102147.1 Ų147.171%0.71379%0.788SS**  trans98.993.7165.5-45.40000117
436S33.5Very low39.6Very low125 Ų125145.7 Ų145.787%0.87478%0.784SS**  trans-93.9121.4160.6173.70000109.9
437I37.6Very low39.4Very low166 Ų166142.9 Ų142.985%0.85178%0.783SS**  trans-155.1149.6167.6-35.8173.7000107.8
438G36.9Very low38.6Very low72 Ų72144.9 Ų144.974%0.74279%0.787SS**  trans111.346.9154.400000117.9
439E33Very low38.5Very low169 Ų169145.1 Ų145.179%0.7979%0.788SS**  trans-40.4132.4159.4173.5-175.5-172.700114.1
440F36.8Very low38.2Very low215 Ų215143.5 Ų143.594%0.94378%0.783SS**  trans-151.9127.5146.4-105.8-69.8000111.6
441T35.7Very low38.1Very low89 Ų89143.5 Ų143.555%0.54678%0.784SS.*  trans-104.2138.5-171.1-610000112.7H443T441-H443 HydrophobicContact CG2-CB 4.46Å
442I39.8Very low38.7Very low176 Ų176142.7 Ų142.790%0.90379%0.786SS**  trans-128.8125.7153.2-61.7-176.1000108.9
443H34.8Very low38.2Very low144 Ų144143.2 Ų143.267%0.66779%0.792SS**  trans-109.7132.4-169.9-122.5-60.8000112T441T441-H443 HydrophobicContact CG2-CB 4.46Å
444R39.7Very low38.5Very low231 Ų231142.1 Ų142.187%0.87280%0.796SS**  trans-145.8118.7150.7-75.8-172.6168.5-93.70.4106.1
445Q36Very low38.4Very low154 Ų154139.3 Ų139.372%0.7280%0.796SS**  58.311552.6-58.1-174.3-0.800111.7
446S36.3Very low38.4Very low104 Ų104141.9 Ų141.973%0.72780%0.8SS**  cis-150.9179.6-1.7-63.60000107.3
447S40.5Very low38.6Very low112 Ų112142 Ų14278%0.78380%0.798SS**  cis-165.7171.330.3-38.20000110.7
448D34.9Very low38.3Very low163 Ų163138.3 Ų138.387%0.87279%0.787SS**  trans-74.8132.1-177.6-44.4-102.2000115.1
449I41.4Very low38.2Very low166 Ų166141.5 Ų141.585%0.85179%0.792SS**  trans-140.4134.7149.3-61.2-174.1000109.2
450T41.3Very low38.4Very low122 Ų122138.6 Ų138.675%0.74879%0.785SS**PPolyproline II helixtrans-75.9144.9-179.247.60000114.2
451P48.4Very low38Very low112 Ų112138.7 Ų138.773%0.72778%0.781SS**PPolyproline II helixtrans-73.3140.9167.231.8-34.1000111.4
452P53.8Low38Very low127 Ų127140.9 Ų140.983%0.82579%0.789SS**PPolyproline II helixtrans-74.6131.817530.2-33.5000111.4
453S37.9Very low37.5Very low132 Ų132141 Ų14192%0.92379%0.786SS**PPolyproline II helixtrans-74.5126.6170.2-53.80000110.6
454G37.6Very low37.5Very low71 Ų71142.1 Ų142.173%0.73279%0.791SS**  trans-149.182.7-172.200000114.7
455L35Very low37Very low174 Ų174136.1 Ų136.191%0.91178%0.784SS**  trans5594.5156.9-55.7-179.9000118.5
456I36.6Very low36.9Very low156 Ų156135.8 Ų135.880%0.879%0.787SS**  trans-86.3127.5156.3-50.4164.6000108.4S458I456-S458 PolarHBondContact O-N 3.45Å
457P37.2Very low36.9Very low126 Ų126136.4 Ų136.482%0.81879%0.787SS**  trans-81.696.4160.4-5.123.8000108.8
458S31.5Very low36.4Very low89 Ų89137.5 Ų137.562%0.62278%0.784SS**  trans-101.2113.9174.3-171.30000110.4I456I456-S458 PolarHBondContact O-N 3.45Å
459V35.1Very low36.6Very low139 Ų139137.5 Ų137.584%0.84278%0.783SS**  trans-132.593163.6-78.50000106.2
460V35.9Very low36.1Very low108 Ų108135.4 Ų135.466%0.65577%0.773SS**  61.911072.1-175.80000110.8
461Y28.6Very low35.9Very low217 Ų217133.9 Ų133.985%0.85176%0.764SS**  trans-64138.1163.7-97.2-103.3000109.6
462D35.2Very low35.4Very low135 Ų135136.3 Ų136.372%0.72277%0.765SS**  trans-138.5125.4154.6-114-41.1000110.7
463Q29.7Very low34.3Very low178 Ų178136.2 Ų136.283%0.83276%0.758SS**  trans-92.896.1171.5-80.7-170.1-15.400109.1
464H35.1Very low34.2Very low168 Ų168134.2 Ų134.278%0.77875%0.749SS**  trans-131.5103.9164.7-84.4-66.1000112.6
465S28.9Very low34Very low105 Ų105135.4 Ų135.473%0.73474%0.743SS**  trans-63.7139.2158.8179.50000109.6
466L34.4Very low34.2Very low147 Ų147132.8 Ų132.877%0.7774%0.739SS**  -179.8140.6117.8-93166.7000112.8
467T37Very low34Very low118 Ų118130.1 Ų130.172%0.72473%0.726SS**  trans55.3100.4149.552.80000121.6
468N29.9Very low34Very low134 Ų134130.8 Ų130.872%0.71772%0.723SS**  61.2100.8102.5-173.921.5000120
469L38.2Very low34Very low164 Ų164131.7 Ų131.786%0.85972%0.721SS**  trans-160116.3130.7-90.4134.7000105.6
470N31.6Very low34.1Very low122 Ų122132.1 Ų132.165%0.65272%0.718SS**  65.212352-156.855.4000111.1
471T36Very low33.9Very low90 Ų90131.7 Ų131.755%0.55271%0.712SS**  cis-146.2165.79-14.90000106.6
472H38.5Very low34.1Very low162 Ų162126.3 Ų126.375%0.7571%0.706SS**  cis-137.7-179.326.2-64.3-90.8000110.1
473N31.3Very low33.9Very low126 Ų126124.2 Ų124.267%0.67470%0.699SS**  cis69.8133.733-126.511.6000113.7T475N473-T475 VanDerWaalsContact OD1-CB 3.22Å; N473-T475 WeakPolarHBondContact OD1-CB 3.35Å; N473-T475 PolarHBondContact OD1-OG1 2.86Å
474A35.8Very low34.1Very low90 Ų90120.5 Ų120.574%0.74469%0.688SS**  cis-121.8156.31100000112.4
475T33.2Very low33.8Very low96 Ų96118.4 Ų118.459%0.58969%0.687SS**  cis84.286.222.7-49.20000115.5N473 N477N473-T475 VanDerWaalsContact OD1-CB 3.22Å; N473-T475 WeakPolarHBondContact OD1-CB 3.35Å; N473-T475 PolarHBondContact OD1-OG1 2.86Å; T475-N477 HydrophobicContact CG2-CB 3.98Å
476S37.6Very low34.1Very low119 Ų119119.6 Ų119.683%0.83269%0.686SS**  trans-155.798.3136.6-160.90000107.1
477N33Very low33.8Very low100 Ų100118.9 Ų118.954%0.53568%0.682SS.*  cis69.280.238.2-162.431.1000113.8T475 N479T475-N477 HydrophobicContact CG2-CB 3.98Å; N477-N479 PolarHBondContact OD1-ND2 3.37Å
478N37.1Very low33.7Very low140 Ų140118.5 Ų118.575%0.74969%0.685SS**  -164.2118.5126.2-87.2-36.7000108.3
479N32.9Very low33.6Very low107 Ų107118.6 Ų118.657%0.57269%0.685SS**  59.997.569.5-56.7-41.3000112.1N477N477-N479 PolarHBondContact OD1-ND2 3.37Å
480N36.1Very low33.4Very low149 Ų149116.5 Ų116.580%0.79768%0.675SS**  179.179.1118-84.5-20.1000112.2S482N480-S482 PolarHBondContact O-N 3.3Å
481N32Very low33.2Very low98 Ų98120.6 Ų120.652%0.52468%0.683SS.*  16.6101.8121.3-178.621.2000116.1N365 S366N365-N481 VanDerWaalsContact ND2-CG 3.31Å; N365-N481 PolarHBondContact ND2-ND2 3.27Å; N365-N481 PolarHBondContact ND2-OD1 3.01Å; S366-N481 WeakPolarHBondContact CB-ND2 3.37Å; S366-N481 PolarHBondContact OG-ND2 3.1Å
482S33Very low33.3Very low104 Ų104123.1 Ų123.173%0.72769%0.688SS**  trans-138.6108.3169.5-156.40000110.5N480 T484N480-S482 PolarHBondContact O-N 3.3Å; S482-T484 PolarHBondContact O-N 2.73Å
483T30.9Very low32.8Very low92 Ų92121.2 Ų121.256%0.56468%0.684SS**  trans-82.7102.9175470000110.6N365N365-T483 VanDerWaalsContact OD1-CG2 3.28Å; N365-T483 WeakPolarHBondContact OD1-CG2 3.32Å; N365-T483 PolarHBondContact OD1-OG1 3.45Å
484T34.2Very low33.2Very low99 Ų99122 Ų12261%0.60769%0.688SS**  trans-138.5123.215839.80000106.9S482S482-T484 PolarHBondContact O-N 2.73Å
485T28.6Very low33Very low124 Ų124126 Ų12676%0.76169%0.693SS**  cis53.247.449.379.80000114.2
486N33.8Very low33.3Very low131 Ų131129.1 Ų129.170%0.70170%0.703SS**  trans-135.5119.1143.2-73.3-49.1000104.7
487N28.5Very low33Very low131 Ų131126.8 Ų126.870%0.70170%0.697SS**  cis62.452.437.1-150.918.4000113.4N489N487-N489 PolarHBondContact OD1-ND2 2.97Å
488S35.2Very low33Very low111 Ų111128.1 Ų128.178%0.77671%0.713SS**  trans-104.763159-630000109.7N490S488-N490 VanDerWaalsContact C-N 3.3Å; S488-N490 PolarHBondContact O-N 3.43Å
489N28.6Very low33Very low136 Ų136125.4 Ų125.473%0.72771%0.705SS**  trans-62.399.5153.5-80.8-66.3000107N487N487-N489 PolarHBondContact OD1-ND2 2.97Å
490N34Very low33.1Very low119 Ų119130.4 Ų130.464%0.63672%0.716SS**  trans-137.663.1170.2-148.455.1000111.2S488 Q492S488-N490 VanDerWaalsContact C-N 3.3Å; S488-N490 PolarHBondContact O-N 3.43Å; N490-Q492 PolarHBondContact ND2-OE1 3.33Å; N490-Q492 PolarHBondContact O-N 3.16Å
491Y26.9Very low33.2Very low209 Ų209128.8 Ų128.882%0.8270%0.704SS**  trans-60.687.5150.1-91.2-88.4000108N493Y491-N493 PolarHBondContact O-N 3.37Å; Y491-N493 VanDerWaalsContact O-N 3.17Å; Y491-N493 PolarHBondContact O-ND2 2.79Å
492Q37.1Very low33.6Very low143 Ų143127.6 Ų127.667%0.66871%0.708SS**  trans-73.999.6164.1-153.582.92500106.2N490 D494N490-Q492 PolarHBondContact ND2-OE1 3.33Å; N490-Q492 PolarHBondContact O-N 3.16Å; Q492-D494 PolarHBondContact O-N 3.38Å
493N29.7Very low33.7Very low122 Ų122130.9 Ų130.965%0.65272%0.716SS**  trans-77.1112.1-179.8-56.9-82.3000109.5Y491Y491-N493 PolarHBondContact O-N 3.37Å; Y491-N493 VanDerWaalsContact O-N 3.17Å; Y491-N493 PolarHBondContact O-ND2 2.79Å
494D37.9Very low34.1Very low143 Ų143133.9 Ų133.977%0.76573%0.727SS**  trans-109.675.2160.1-88.1-57.1000109.8Q492 M496Q492-D494 PolarHBondContact O-N 3.38Å; D494-M496 PolarHBondContact O-N 2.97Å
495M32.1Very low34.3Very low173 Ų173133.3 Ų133.385%0.85273%0.733SS**  trans-80.797.8172.6-113.1-82.5-140.300109.3
496M39.4Very low34.7Very low162 Ų162135.7 Ų135.780%0.79874%0.74SS**  trans-129.891.5160.9-89-176.7-79.600109.8D494 C498D494-M496 PolarHBondContact O-N 2.97Å; M496-C498 PolarHBondContact O-N 3.29Å
497G31.4Very low34.8Very low69 Ų69134.7 Ų134.771%0.71175%0.75SS**  trans-69.9116.3169.100000109.9S499G497-S499 VanDerWaalsContact C-N 3.34Å; G497-S499 PolarHBondContact O-N 3.15Å
498C34.2Very low35Very low129 Ų129131.7 Ų131.787%0.87275%0.749SS**  trans-70.287.5175.4-64.30000110.5M496 R500M496-C498 PolarHBondContact O-N 3.29Å; C498-R500 PolarHBondContact O-N 2.82Å
499S36.4Very low35.1Very low83 Ų83132.9 Ų132.958%0.5876%0.758SS**  trans-62.9134163.849.50000109.7G497 E501G497-S499 VanDerWaalsContact C-N 3.34Å; G497-S499 PolarHBondContact O-N 3.15Å; S499-E501 PolarHBondContact O-N 3.39Å; S499-E501 VanDerWaalsContact O-N 3.1Å
500R35.3Very low35.4Very low211 Ų211130.1 Ų130.180%0.79676%0.761SS**THydrogen-bonded Turntrans-68.1-9.5-169.5159.7-178.2163.8-93.512.2113.5C498C498-R500 PolarHBondContact O-N 2.82Å
501E38.8Very low35.4Very low116 Ų116129.4 Ų129.454%0.54277%0.772SS.*THydrogen-bonded Turntrans-99.7-1.6-168.2-66.964.8-140.300114.1S499S499-E501 PolarHBondContact O-N 3.39Å; S499-E501 VanDerWaalsContact O-N 3.1Å
502A39.2Very low36Very low73 Ų73127.4 Ų127.460%0.60378%0.776SS**SBendtrans-89.7-13.6-173.700000116
503L35.1Very low35.8Very low173 Ų173129.2 Ų129.291%0.90678%0.784SS**SBendtrans-99.29.7-172.1-77.1171.6000115.3
504I40.6Very low36.3Very low154 Ų154132.3 Ų132.379%0.7980%0.797SS**SBendtrans-108.5-2.1-172.8-62.7177.2000112.6
505A37Very low35.9Very low88 Ų88131.2 Ų131.273%0.72779%0.791SS**SBendtrans-127.735.1-165.200000115.9
506L37.5Very low35.9Very low173 Ų173132.9 Ų132.991%0.90679%0.794SS**SBendtrans-147.911.4-179.3-113.1151.4000116.6
507A35.3Very low35.7Very low111 Ų111129.7 Ų129.792%0.91778%0.784SS**SBendtrans-124.464.3177.800000111.4
508G32.8Very low35.7Very low67 Ų67133.4 Ų133.469%0.69179%0.793SS**  trans-154.8134.7179.400000112.9
509S37.2Very low35.6Very low136 Ų136138.6 Ų138.695%0.95179%0.794SS**  trans62.3116.8-178.6-65.10000116.4
510G34.8Very low35.3Very low78 Ų78140.2 Ų140.280%0.80481%0.806SS**  trans172.739.5177.500000113.6D512G510-D512 PolarHBondContact O-N 3.08Å
511A34.6Very low35.3Very low105 Ų105135.2 Ų135.287%0.86880%0.803SS**  trans-85.6108.7178.100000110.1
512D40.4Very low35Very low167 Ų167136.3 Ų136.389%0.89381%0.812SS**  trans-124.7139169.2-98-52.8000110.7G510G510-D512 PolarHBondContact O-N 3.08Å
513E33Very low34.9Very low181 Ų181140.7 Ų140.785%0.84682%0.824SS**  trans-100.5103.9-159.4-175.2-175.1-179.400112
514M39.3Very low34.8Very low186 Ų186136.9 Ų136.992%0.91681%0.812SS**  trans-12682.9169.3-73.7-154.3-69.900113.1F516M514-F516 PolarHBondContact O-N 3.04Å
515N30Very low34.6Very low121 Ų121136.7 Ų136.765%0.64781%0.812SS**  trans-40.7124.2157.3165.112.5000111.9T517N515-T517 PolarHBondContact OD1-OG1 3.19Å
516F32.6Very low34.6Very low208 Ų208136.9 Ų136.991%0.91280%0.804SS**  trans-126.3129.7152.6-136.1-87.6000111.3M514M514-F516 PolarHBondContact O-N 3.04Å
517T34.9Very low34.5Very low94 Ų94137 Ų13758%0.57780%0.799SS**  trans-95.9133.5-161-40.90000111.8N515 R519N515-T517 PolarHBondContact OD1-OG1 3.19Å; T517-R519 PolarHBondContact O-N 2.95Å
518T31.4Very low34.6Very low148 Ų148137.2 Ų137.291%0.90879%0.794SS**  trans-58.1104.4176.4-38.80000111.6
519R30.7Very low35.2Very low237 Ų237139 Ų13989%0.89480%0.796SS**  trans-153.4122.3180-143.7171.7-178.1-169.1-1.6114.7T517T517-R519 PolarHBondContact O-N 2.95Å
520S30.9Very low35.2Very low118 Ų118138.5 Ų138.583%0.82579%0.788SS**  trans-76.2139.7-173.8-34.40000114.1
521S35.6Very low35.7Very low105 Ų105139.5 Ų139.573%0.73478%0.78SS**  trans-176.7150.9161.8-82.80000108
522N31.3Very low36Very low139 Ų139140.4 Ų140.474%0.74378%0.775SS**  cis-173.4-174.1-19.8-106.8-48000105.4
523I37.5Very low35.9Very low165 Ų165139.4 Ų139.485%0.84677%0.769SS**  trans79.5130.3168.4-55.5169.8000115.4
524S33.4Very low36.1Very low93 Ų93135.6 Ų135.665%0.6576%0.762SS**  cis-171.1170.1-23-151.50000112
525L36.4Very low36.1Very low150 Ų150131.2 Ų131.279%0.78576%0.755SS**  trans70.6136.4157.6-61163000118.4
526T36.6Very low36.4Very low92 Ų92130.2 Ų130.256%0.56476%0.758SS**  cis-170.3150.3-21.26.40000111.4
527H36.8Very low36.6Very low176 Ų176126.4 Ų126.482%0.81575%0.752SS**  trans59.6135.7159.5-49-48.3000117.9
528S37Very low36.6Very low115 Ų115126.4 Ų126.480%0.80476%0.755SS**  cis-159.1-175.5-7.561.30000107.2
529S45.4Very low36.8Very low106 Ų106125.4 Ų125.474%0.74175%0.75SS**  cis-153.5-15810.6-157.80000111.1
530T36Very low37.2Very low125 Ų125118.5 Ų118.577%0.76774%0.738SS**  trans-138.8179.8-174.554.60000109.6
531P45.6Very low37.5Very low99 Ų99122 Ų12264%0.64374%0.741SS**  cis-154.2158.424.943.5-20.8000122.7
532T40.1Very low37.6Very low124 Ų124121.1 Ų121.176%0.76175%0.747SS**  trans67158.3142.957.10000120
533L39.4Very low37.7Very low146 Ų146118.6 Ų118.676%0.76475%0.754SS**  cis-136.3144.416.6-75.5166.2000114.1
534S37.5Very low37.8Very low101 Ų101114.2 Ų114.271%0.70675%0.75SS**  trans45.3123.7131.1-48.20000122.2
535A38.1Very low38Very low93 Ų93122.1 Ų122.177%0.76977%0.765SS**  78.4146.763.300000114
536S37.9Very low38Very low100 Ų100118.9 Ų118.970%0.69977%0.768SS**  cis-157.7155.120.5-53.90000114.6
537T35.1Very low38.5Very low129 Ų129118.8 Ų118.879%0.79178%0.777SS**  trans53.3144.5137.856.80000126
538S36.6Very low38.7Very low93 Ų93122.5 Ų122.565%0.6578%0.784SS**  trans89.2109.2130.458.40000124.4
539T34.1Very low38.8Very low128 Ų128120.8 Ų120.879%0.78578%0.784SS**  72.2137.1126.460.10000124.3
540S38.9Very low38.5Very low92 Ų92119 Ų11964%0.64378%0.783SS**  trans110.7113.5132.6760000121.4
541H38.1Very low38.7Very low192 Ų192124.9 Ų124.989%0.88979%0.791SS**  trans63.9130.8132.4-53.9-29.9000124.1
542G36.8Very low38.7Very low85 Ų85127 Ų12788%0.87680%0.802SS**  trans97.3146.415200000116.1
543G34.6Very low38.6Very low86 Ų86126 Ų12689%0.88781%0.805SS**  cis157.5126.3-1000000114.2
544G38.7Very low38.5Very low73 Ų73121.8 Ų121.875%0.75380%0.798SS**  trans104.3125177.500000112.5
545R37.8Very low38.6Very low260 Ų260126 Ų12698%0.98181%0.806SS**  cis97107.627.9-71.6-172.6171.3-163.9-1.1114.6
546G36.9Very low38.7Very low82 Ų82130.5 Ų130.585%0.84581%0.808SS**  trans119.1146.7155.600000115.2
547A46.8Very low38.7Very low90 Ų90137.4 Ų137.474%0.74482%0.819SS**  cis-162140.6-14.400000113
548R42.1Very low38.9Very low254 Ų254143.2 Ų143.296%0.95883%0.826SS**  trans36.9129.6142.1-63.4173.7165.4178.7-6.5121.1
549G37.6Very low38.9Very low79 Ų79144.6 Ų144.681%0.81484%0.836SS**  144.5130.7123.100000118.3
550G40.5Very low39.2Very low69 Ų69144.2 Ų144.271%0.71184%0.838SS**  trans83.5141.6170.800000115.1
551R38.9Very low39.2Very low247 Ų247145 Ų14593%0.93284%0.844SS**  cis57.5132.18-49-174.5-177.4-168.2-0.7112.9
552V46.2Very low39.4Very low145 Ų145142.9 Ų142.988%0.87984%0.844SS**  cis-137.4165.637.6-170.20000111.4
553A38.8Very low39.5Very low101 Ų101146 Ų14684%0.83584%0.841SS**  trans-80.9169.4174.500000113.5
554G36.5Very low39.9Very low59 Ų59148 Ų14861%0.60884%0.838SS**  trans139.8122145.900000119
555H39.1Very low40.2Very low188 Ų188150.4 Ų150.487%0.8784%0.844SS**  trans90.8137.9140.7-55.2-55.2000123.2
556K40.2Very low40.2Very low189 Ų189146 Ų14682%0.82284%0.839SS**  trans70.792.6148.4-77.3-178.8175.8-179.20120.2
557R38.2Very low40.6Very low245 Ų245147.4 Ų147.493%0.92583%0.834SS**  28.6111.9109.2-63.5-174.8179.5-147.61116.6
558R39.3Very low40.3Very low251 Ų251151.9 Ų151.995%0.94784%0.844SS**  -162.7136.7128.1-124.2177.7175.1-167.7-5.2112
559S36.5Very low39.9Very low121 Ų121146.4 Ų146.485%0.84683%0.834SS**  trans-90.1144.3172-370000110.5
560S41.3Very low40.3Very low120 Ų120150 Ų15084%0.83983%0.834SS**  trans-171.8133.8156.2510000109.9
561S38.2Very low40.1Very low109 Ų109154 Ų15476%0.76283%0.834SS**  trans-87.9153.1178.847.20000112.9
562V43.3Very low40.1Very low148 Ų148147.2 Ų147.290%0.89782%0.824SS**  trans-159.2149.2148.9-107.70000110.2
563N37.6Very low39.8Very low151 Ų151145.6 Ų145.681%0.80782%0.819SS**  trans-85.4157.9-169.2-63.1-10.5000113.5
564P44Very low39.7Very low128 Ų128144 Ų14483%0.83181%0.812SS**  trans-81.2166.7172.135.1-36.1000112.9
565S44.5Very low39.8Very low123 Ų123149.6 Ų149.686%0.8683%0.829SS**  trans-142.2159.5174.857.50000113.3
566N38.5Very low39.4Very low166 Ų166146.1 Ų146.189%0.88883%0.825SS**  trans-80.6172.1-149.3-101.61.7000118
567P45.5Very low39.5Very low112 Ų112145 Ų14573%0.72783%0.827SS**  trans-101-169.3-160.141.5-39.1000115.7
568L39.8Very low39.2Very low184 Ų184141.9 Ų141.996%0.96382%0.823SS**  trans-119.7164.3174.1-74.3173.1000112.7
569N34.4Very low38.9Very low140 Ų140133.9 Ų133.975%0.74981%0.81SS**  trans-136.4154.2-161.1-179.224.3000111.7
570L45.3Very low38.9Very low154 Ų154135.9 Ų135.981%0.80681%0.811SS**  trans-161.3144.3159.7-153.163.2000112.9
571E35.6Very low38.7Very low153 Ų153136.6 Ų136.672%0.71581%0.81SS**  trans-92.9169.2-168.4-40.498.794.100116.5
572S40.1Very low38.8Very low105 Ų105137 Ų13773%0.73481%0.814SS**  167.2135.7110.2-171.20000114.3
573S38.4Very low38.2Very low110 Ų110137.1 Ų137.177%0.76981%0.809SS**  trans40.1139.8147.263.70000122.3
574G38.4Very low38.4Very low67 Ų67138.7 Ų138.769%0.69181%0.814SS**  cis153.2174.32.800000112.7
575N37.9Very low38.2Very low178 Ų178138.2 Ų138.295%0.95281%0.809SS**  trans78.7141.4176.7-57.2-9.4000118.3
576S31.3Very low38Very low114 Ų114140.6 Ų140.680%0.79781%0.811SS**  trans-134.1144.3173.2178.70000109.1
577I40.8Very low37.8Very low166 Ų166135.7 Ų135.785%0.85180%0.8SS**  trans-140.5142.5171.4-64.5-175.3000108.4
578E32.8Very low37.5Very low180 Ų180139 Ų13984%0.84181%0.81SS**  trans-85.6162.7-168.7-56.2168.9119.600114.2
579A32.9Very low37.4Very low82 Ų82135.4 Ų135.468%0.67880%0.8SS**  trans54.1127.6152.800000120.1
580N36.4Very low37.7Very low164 Ų164136.9 Ų136.988%0.87781%0.809SS**  -172.5162.5103.8-97.4-64.7000112.4
581T36.3Very low37.5Very low134 Ų134133.7 Ų133.782%0.82280%0.804SS**  trans-98.7142.9-172.252.70000114
582S41Very low37.2Very low119 Ų119132.4 Ų132.483%0.83281%0.811SS**  trans-172.4133.9146.356.40000112.9
583D31.1Very low37.2Very low149 Ų149133 Ų13380%0.79781%0.812SS**  trans-66.1153175.5-58.9-95.8000114.7
584M41.1Very low36.7Very low185 Ų185135.3 Ų135.391%0.91182%0.815SS**  trans-137.9105148.3-88.2-65.6-77.900109.4
585T40.4Very low36.5Very low117 Ų117136.8 Ų136.872%0.71882%0.815SS**  trans-105133.8-179.5174.50000111.8
586L39.7Very low36.5Very low173 Ų173133.6 Ų133.691%0.90681%0.806SS**  trans-142.1101.8164.1-74.9-179.8000109.1
587G34Very low36.7Very low64 Ų64135.7 Ų135.766%0.6681%0.808SS**  trans-118.7147.7171.200000111.5
588L39.9Very low36.8Very low181 Ų181134 Ų13495%0.94881%0.806SS**  trans-123.6109.7160.6-88.989.3000109.3
589S38.2Very low36.7Very low108 Ų108129.2 Ų129.276%0.75581%0.805SS**  trans-77.2158164.2-43.50000110.3
590N40.3Very low36.9Very low172 Ų172132.8 Ų132.892%0.9281%0.81SS**  -170.9151.2124.9-93.1-14.6000110
591A40.4Very low36.8Very low87 Ų87129.9 Ų129.972%0.71980%0.802SS**  trans-138.1146.7-173.200000111.9
592C30.9Very low36.9Very low126 Ų126127.9 Ų127.985%0.85179%0.793SS**  trans64.5175159.8-60.60000115.6
593P38.3Very low36.7Very low117 Ų117130.1 Ų130.176%0.7679%0.791SS**  cis-130.2163.5241.9-26.3000117.4
594L29.8Very low36.7Very low159 Ų159129.3 Ų129.383%0.83280%0.795SS**  trans15.2138.2140.9-130.672.5000122.1
595S32.5Very low36.4Very low97 Ų97125.7 Ų125.768%0.67879%0.788SS**  trans111.7142137.2-58.40000120.1
596S38.9Very low36.2Very low111 Ų111125 Ų12578%0.77679%0.788SS**  trans85.679.4152.5-560000121.1
597N35.4Very low36.4Very low158 Ų158125 Ų12585%0.84579%0.788SS**  63.377.6116.5-168.162.1000120
598T42Very low36.7Very low131 Ų131131.8 Ų131.880%0.80480%0.8SS**  trans-144.9153.3147.345.30000110.3
599G30.9Very low36.8Very low79 Ų79126.7 Ų126.781%0.81479%0.791SS**  trans-95.6134.6-172.200000115.3
600M38.5Very low36.9Very low158 Ų158129.9 Ų129.978%0.77880%0.8SS**  trans-158.9124.8160.454.8-162.176.100105.2
601S34.3Very low37.2Very low103 Ų103131 Ų13172%0.7280%0.797SS**  67.1124.360.7-167.50000113.7
602S37.6Very low37.3Very low91 Ų91133 Ų13364%0.63680%0.795SS**  trans69.8144.2158.5260000119.8
603E37.1Very low37.7Very low167 Ų167133 Ų13378%0.7880%0.797SS**  trans70.873.6152.2-69.9151.6-140.900120S605E603-S605 VanDerWaalsContact C-N 3.31Å
604C31.4Very low38Very low131 Ų131131.5 Ų131.589%0.88579%0.789SS**  trans-93.748.8152.560.80000112
605S35.1Very low38.9Very low110 Ų110135.6 Ų135.677%0.76979%0.793SS**  trans-11051.4-173.5-610000112.8E603E603-S605 VanDerWaalsContact C-N 3.31Å
606S34.6Very low39.3Very low102 Ų102138.9 Ų138.971%0.71380%0.804SS**  trans-154.749.1-17149.60000114.7
607L44.4Very low39.5Very low174 Ų174143.9 Ų143.991%0.91181%0.811SS**  trans-118.814.2170.2-73.8176.6000114.5
608F40.5Very low39.5Very low206 Ų206139.2 Ų139.290%0.90480%0.801SS**SBendtrans-104.2102.7161.2-66.4-73000108.1
609G41.4Very low39.7Very low74 Ų74142.6 Ų142.676%0.76381%0.807SS**  trans-71.4139.1178.900000111.9F611G609-F611 PolarHBondContact O-N 3.33Å
610D40Very low39.8Very low175 Ų175142.1 Ų142.194%0.93680%0.802SS**  trans-60121.2-179.8-56.1-89000112
611F46.7Very low40.2Very low194 Ų194145 Ų14585%0.85180%0.804SS**  trans-113.4146164.5-168.4-101000111.1G609G609-F611 PolarHBondContact O-N 3.33Å
612D44Very low40.6Very low130 Ų130145.5 Ų145.570%0.69580%0.803SS**  trans-68135.2-156.6-159.2-28.3000114.1S614D612-S614 VanDerWaalsContact C-N 3.27Å; D612-S614 PolarHBondContact O-N 3.3Å
613S37.4Very low40.8Very low126 Ų126147.9 Ų147.988%0.88182%0.817SS**  trans-79.565.4-178-71.10000112.1
614S45.8Very low40.9Very low85 Ų85144.4 Ų144.459%0.59481%0.811SS**  trans-146.468.4-174.3-161.90000115.4D612D612-S614 VanDerWaalsContact C-N 3.27Å; D612-S614 PolarHBondContact O-N 3.3Å
615R49.3Very low41.5Very low245 Ų245144.7 Ų144.793%0.92581%0.808SS**  trans-169.5120.1153.6-105.7148.7-118.5-147.3-1.2112.9F617R615-F617 PolarHBondContact O-N 3.42Å
616N39.2Very low41.5Very low167 Ų167145.4 Ų145.489%0.89381%0.812SS**  trans-80.6105.9173.7-83.6-3.7000111.8
617F44.1Very low41.7Very low215 Ų215144.3 Ų144.394%0.94382%0.816SS**  trans-164.6137144.4-100.8-77.5000107R615R615-F617 PolarHBondContact O-N 3.42Å
618G35.7Very low41.6Very low60 Ų60141.7 Ų141.762%0.61981%0.808SS**  cis170.6-8.90.600000115
619H45.9Very low41.8Very low203 Ų203138.9 Ų138.994%0.9480%0.802SS**  trans-141.8144.7170-88-81.9000109.3
620G33.5Very low42Very low69 Ų69138.1 Ų138.171%0.71179%0.785SS**  trans-137145.6178.500000112.6
621R47.3Very low42.8Very low217 Ų217137.9 Ų137.982%0.81978%0.778SS**  trans-166.2113.2153.2-103.9159.9-158.3-820.8109.9
622T41.7Very low43.2Very low114 Ų114137.3 Ų137.370%0.69978%0.778SS**  trans44.6106146.854.80000119.1S624T622-S624 PolarHBondContact O-N 2.84Å
623P42Very low43.9Very low142 Ų142136.5 Ų136.592%0.92278%0.779SS**  trans-69.4110.9156.930.3-31000108.5
624S38.9Very low44.9Very low94 Ų94133.8 Ų133.866%0.65775%0.753SS**  trans-160.7141-174.9-162.20000113.9T622T622-S624 PolarHBondContact O-N 2.84Å
625V44.9Very low45.9Very low137 Ų137134.3 Ų134.383%0.8375%0.749SS**  trans71.7137.2172-160.90000116.3
626C34.5Very low46.6Very low124 Ų124128.4 Ų128.484%0.83874%0.743SS**  trans-86.5158-178.9-45.10000112.6
627G38.3Very low48Very low79 Ų79127.4 Ų127.481%0.81474%0.738SS**  trans93.936.9139.700000118.6
628T42.4Very low49.2Very low119 Ų119118.8 Ų118.873%0.7370%0.7SS**  trans-106.2104.4164.252.70000110.5S630T628-S630 PolarHBondContact O-N 2.84Å; T628-S630 PolarHBondContact O-OG 2.97Å
629D45.8Very low51.3Low147 Ų147118.6 Ų118.679%0.78669%0.687SS**  trans-79.855.3167.9-15817.8000108.9
630S44.3Very low52.9Low58 Ų58114.3 Ų114.341%0.40668%0.678SS.*  trans-95.4131.4-169.7480000111.1T628 E632T628-S630 PolarHBondContact O-N 2.84Å; T628-S630 PolarHBondContact O-OG 2.97Å; S630-E632 PolarHBondContact O-N 3.2Å
631E56.7Low55.3Low170 Ų170118.5 Ų118.579%0.79468%0.679SS**G310 helixtrans-655.3-178.2-59.3177.2104.700114.8T633 I634E631-T633 VanDerWaalsContact C-N 3.27Å; E631-T633 PolarHBondContact O-N 3.02Å; E631-I634 HydrophobicContact CB-CD1 4.21Å; E631-I634 WeakPolarHBondContact O-CD1 3.49Å; E631-I634 WeakPolarHBondContact O-CG1 3.27Å; E631-I634 PolarHBondContact O-N 3.13Å
632E55.3Low57Low182 Ų182113.3 Ų113.385%0.8566%0.663SS**G310 helixtrans-82.35.2-172.5-147.3175.4-176.100114.3S630S630-E632 PolarHBondContact O-N 3.2Å
633T58.2Low58.9Low114 Ų114114.9 Ų114.970%0.69966%0.657SS**G310 helixtrans-11933.2169-37.70000111.8E631 R646E631-T633 VanDerWaalsContact C-N 3.27Å; E631-T633 PolarHBondContact O-N 3.02Å; T633-R646 PolarHBondContact O-NH2 3.44Å
634I60.1Low61Low68 Ų68110.8 Ų110.835%0.34964%0.635SS.*  trans-73.4117.3156.6-65.5166.1000106.7E631 E638E631-I634 HydrophobicContact CB-CD1 4.21Å; E631-I634 WeakPolarHBondContact O-CD1 3.49Å; E631-I634 WeakPolarHBondContact O-CG1 3.27Å; E631-I634 PolarHBondContact O-N 3.13Å; I634-E638 WeakPolarHBondContact CA-OE1 3.43Å
635D65.6Low63.4Low96 Ų96110.4 Ų110.451%0.51362%0.623SS.*  trans-70.5122.8168.1-168.6-28.1000107.2D637 E638D635-D637 PolarHBondContact O-N 3.09Å; D635-D637 VanDerWaalsContact O-N 3.09Å; D635-D637 PolarHBondContact OD1-N 3.3Å; D635-E638 HydrophobicContact CB-CG 4.17Å; D635-E638 PolarHBondContact N-OE1 3.44Å; D635-E638 VanDerWaalsContact O-CB 3.3Å; D635-E638 WeakPolarHBondContact O-CB 3.42Å; D635-E638 PolarHBondContact O-N 3.06Å
636P64.9Low65.3Low121 Ų121109.4 Ų109.479%0.78660%0.604SS**THydrogen-bonded Turntrans-63.3-15.7-174.424.9-35.6000114.2
637D67.3Low67.9Low146 Ų146106 Ų10678%0.78158%0.576SS**THydrogen-bonded Turntrans-9513.6175.2-68.2-23.5000113.1D635 T639D635-D637 PolarHBondContact O-N 3.09Å; D635-D637 VanDerWaalsContact O-N 3.09Å; D635-D637 PolarHBondContact OD1-N 3.3Å; D637-T639 PolarHBondContact O-N 2.97Å
638E70.6Confident70.4Confident34 Ų34108.9 Ų108.916%0.15956%0.562CS.*  trans-59.4128177.7-98.2164.8-13500113.9I634 D635 Q642 R646I634-E638 WeakPolarHBondContact CA-OE1 3.43Å; D635-E638 HydrophobicContact CB-CG 4.17Å; D635-E638 PolarHBondContact N-OE1 3.44Å; D635-E638 VanDerWaalsContact O-CB 3.3Å; D635-E638 WeakPolarHBondContact O-CB 3.42Å; D635-E638 PolarHBondContact O-N 3.06Å; E638-Q642 HydrophobicContact CG-CB 4.35Å; E638-R646 IonicContact OE1-CZ 2.8Å; E638-R646 IonicContact OE1-NH1 2.72Å; E638-R646 PolarHBondContact OE1-NH1 3.42Å; E638-R646 IonicContact OE1-NH2 3.92Å; E638-R646 PolarHBondContact OE1-NH2 3.06Å; E638-R646 IonicContact OE2-CZ 3.03Å; E638-R646 IonicContact OE2-NH1 3.19Å; E638-R646 PolarHBondContact OE2-NH1 3.48Å; E638-R646 IonicContact OE2-NH2 3Å
639T78.7Confident72.7Confident56 Ų56106.2 Ų106.234%0.34455%0.549SS..  trans-72.2153.5170.771.50000111.1D637 E641 Q642 R643D637-T639 PolarHBondContact O-N 2.97Å; T639-E641 PolarHBondContact O-N 2.94Å; T639-Q642 VanDerWaalsContact N-OE1 3.15Å; T639-Q642 PolarHBondContact O-N 3.04Å; T639-Q642 VanDerWaalsContact OG1-CG 3.31Å; T639-Q642 WeakPolarHBondContact OG1-CG 3.32Å; T639-Q642 PolarHBondContact OG1-N 3.4Å; T639-R643 PolarHBondContact O-N 3.03Å
640P80.5Confident75Confident114 Ų114104.6 Ų104.674%0.7453%0.531SS*.Hα-helixtrans-57-31.9175.321.2-33.1000112.8A644P640-A644 WeakPolarHBondContact O-CB 3.48Å; P640-A644 PolarHBondContact O-N 3.26Å
641E82.5Confident77.4Confident157 Ų157108.9 Ų108.973%0.73454%0.539SS*.Hα-helixtrans-63.4-45.4172.9-173.9-177.2-161.600112.3T639 A644 E645T639-E641 PolarHBondContact O-N 2.94Å; E641-A644 PolarHBondContact O-N 2.95Å; E641-E645 PolarHBondContact O-N 3.49Å
642Q84.5Confident79.1Confident107 Ų107106.1 Ų106.150%0.553%0.526SS..Hα-helixtrans-65-40.3177-72.3167.1-500111.9E638 T639 A644 E645 R646E638-Q642 HydrophobicContact CG-CB 4.35Å; T639-Q642 VanDerWaalsContact N-OE1 3.15Å; T639-Q642 PolarHBondContact O-N 3.04Å; T639-Q642 VanDerWaalsContact OG1-CG 3.31Å; T639-Q642 WeakPolarHBondContact OG1-CG 3.32Å; T639-Q642 PolarHBondContact OG1-N 3.4Å; Q642-A644 VanDerWaalsContact C-N 3.35Å; Q642-E645 PolarHBondContact O-N 2.85Å; Q642-R646 PolarHBondContact O-N 3.11Å
643R80.9Confident80.8Confident147 Ų14799.3 Ų99.356%0.55550%0.5SS*.Hα-helixtrans-61.3-43.1172.7175.4173.6-76.7-171-5.7111.4T639 R646 E647T639-R643 PolarHBondContact O-N 3.03Å; R643-R646 PolarHBondContact O-N 3.2Å; R643-E647 PolarHBondContact O-N 3.46Å
644A86.6Confident82.7Confident56 Ų5698.1 Ų98.146%0.46349%0.49SS..Hα-helixtrans-64.2-40.6176.900000112.4P640 E641 Q642 E647 R648P640-A644 WeakPolarHBondContact O-CB 3.48Å; P640-A644 PolarHBondContact O-N 3.26Å; E641-A644 PolarHBondContact O-N 2.95Å; Q642-A644 VanDerWaalsContact C-N 3.35Å; A644-E647 PolarHBondContact O-N 3.11Å; A644-R648 WeakPolarHBondContact O-CB 3.37Å; A644-R648 PolarHBondContact O-N 2.9Å
645E88.5Confident84.4Confident87 Ų8799.6 Ų99.641%0.40750%0.498SS..Hα-helixtrans-71.7-36.7177.7-169.554.3-138.700112.5E641 Q642 E647 R648 S649E641-E645 PolarHBondContact O-N 3.49Å; Q642-E645 PolarHBondContact O-N 2.85Å; E645-E647 VanDerWaalsContact C-N 3.32Å; E645-E647 PolarHBondContact O-N 3.29Å; E645-R648 PolarHBondContact O-N 3.35Å; E645-R648 WeakPolarHBondContact OE2-CD 3.37Å; E645-R648 IonicContact OE2-CZ 3.97Å; E645-R648 IonicContact OE2-NE 3.33Å; E645-R648 IonicContact OE2-NH1 2.69Å; E645-R648 PolarHBondContact OE2-NH1 2.78Å; E645-S649 WeakPolarHBondContact O-CB 3.43Å; E645-S649 PolarHBondContact O-N 2.81Å
646R85.6Confident85.9Confident116 Ų11697.1 Ų97.144%0.43849%0.491SS..Hα-helixtrans-59.5-44.3170.2-175.8-174.2-73.1141.1-1.1111T633 E638 Q642 R643 S649 R650T633-R646 PolarHBondContact O-NH2 3.44Å; E638-R646 IonicContact OE1-CZ 2.8Å; E638-R646 IonicContact OE1-NH1 2.72Å; E638-R646 PolarHBondContact OE1-NH1 3.42Å; E638-R646 IonicContact OE1-NH2 3.92Å; E638-R646 PolarHBondContact OE1-NH2 3.06Å; E638-R646 IonicContact OE2-CZ 3.03Å; E638-R646 IonicContact OE2-NH1 3.19Å; E638-R646 PolarHBondContact OE2-NH1 3.48Å; E638-R646 IonicContact OE2-NH2 3Å; Q642-R646 PolarHBondContact O-N 3.11Å; R643-R646 PolarHBondContact O-N 3.2Å; R646-S649 PolarHBondContact O-N 2.83Å; R646-R650 WeakPolarHBondContact O-CB 3.41Å; R646-R650 PolarHBondContact O-N 3.41Å
647E89.6Confident87.4Confident53 Ų5398.9 Ų98.925%0.24848%0.482CS..Hα-helixtrans-68-36.8178.2175.459.6-178.200112.2R643 A644 E645 R650 R651R643-E647 PolarHBondContact O-N 3.46Å; A644-E647 PolarHBondContact O-N 3.11Å; E645-E647 VanDerWaalsContact C-N 3.32Å; E645-E647 PolarHBondContact O-N 3.29Å; E647-R650 VanDerWaalsContact CD-NH2 3.29Å; E647-R650 PolarHBondContact O-N 3.38Å; E647-R650 IonicContact OE1-CZ 2.78Å; E647-R650 IonicContact OE1-NH2 2.74Å; E647-R650 PolarHBondContact OE1-NH2 3.02Å; E647-R650 IonicContact OE2-CZ 2.67Å; E647-R650 VanDerWaalsContact OE2-CZ 3.22Å; E647-R650 IonicContact OE2-NE 3.12Å; E647-R650 PolarHBondContact OE2-NE 3.28Å; E647-R650 IonicContact OE2-NH2 3.62Å; E647-R650 PolarHBondContact OE2-NH2 3.17Å; E647-R651 WeakPolarHBondContact O-CB 3.49Å; E647-R651 VanDerWaalsContact O-CG 3.26Å; E647-R651 WeakPolarHBondContact O-CG 3.3Å; E647-R651 PolarHBondContact O-N 3.15Å; E647-R651 IonicContact OE1-CZ 2.66Å; E647-R651 IonicContact OE1-NE 3.95Å; E647-R651 PolarHBondContact OE1-NE 3.21Å; E647-R651 IonicContact OE1-NH2 3.94Å; E647-R651 PolarHBondContact OE1-NH2 3.14Å
648R90.4Very high88.8Confident138 Ų13895.6 Ų95.652%0.52146%0.462SS..Hα-helixtrans-58.3-49.8169.6177.4178-74.6128.3-5110.9A644 E645 R651 Q652A644-R648 WeakPolarHBondContact O-CB 3.37Å; A644-R648 PolarHBondContact O-N 2.9Å; E645-R648 PolarHBondContact O-N 3.35Å; E645-R648 WeakPolarHBondContact OE2-CD 3.37Å; E645-R648 IonicContact OE2-CZ 3.97Å; E645-R648 IonicContact OE2-NE 3.33Å; E645-R648 IonicContact OE2-NH1 2.69Å; E645-R648 PolarHBondContact OE2-NH1 2.78Å; R648-R651 PolarHBondContact O-N 2.83Å; R648-Q652 HydrophobicContact CG-CG 4.48Å; R648-Q652 WeakPolarHBondContact O-CB 3.48Å; R648-Q652 WeakPolarHBondContact O-CG 3.44Å; R648-Q652 PolarHBondContact O-N 3.29Å
649S90.9Very high90Very high64 Ų6498.4 Ų98.445%0.44847%0.471SS..Hα-helixtrans-61.2-44.1177.9-179.10000112.3E645 R646 R651 Q652 A653E645-S649 WeakPolarHBondContact O-CB 3.43Å; E645-S649 PolarHBondContact O-N 2.81Å; R646-S649 PolarHBondContact O-N 2.83Å; S649-R651 PolarHBondContact O-N 2.93Å; S649-Q652 PolarHBondContact O-N 3.24Å; S649-A653 WeakPolarHBondContact O-CB 3.41Å; S649-A653 PolarHBondContact O-N 3.36Å
650R93.5Very high90.9Very high112 Ų11299.7 Ų99.742%0.42348%0.476SS..Hα-helixtrans-61-42.3175.9-165.5-171.666.492.76.2111.9R646 E647 N654R646-R650 WeakPolarHBondContact O-CB 3.41Å; R646-R650 PolarHBondContact O-N 3.41Å; E647-R650 VanDerWaalsContact CD-NH2 3.29Å; E647-R650 PolarHBondContact O-N 3.38Å; E647-R650 IonicContact OE1-CZ 2.78Å; E647-R650 IonicContact OE1-NH2 2.74Å; E647-R650 PolarHBondContact OE1-NH2 3.02Å; E647-R650 IonicContact OE2-CZ 2.67Å; E647-R650 VanDerWaalsContact OE2-CZ 3.22Å; E647-R650 IonicContact OE2-NE 3.12Å; E647-R650 PolarHBondContact OE2-NE 3.28Å; E647-R650 IonicContact OE2-NH2 3.62Å; E647-R650 PolarHBondContact OE2-NH2 3.17Å; R650-N654 PolarHBondContact O-N 2.82Å
651R93.7Very high91.7Very high149 Ų149100.6 Ų100.656%0.56246%0.464SS*.Hα-helixtrans-64.1-48.4174-72.1173.8-170.6-174.88.4111.9E647 R648 S649 A653 N654 N655E647-R651 WeakPolarHBondContact O-CB 3.49Å; E647-R651 VanDerWaalsContact O-CG 3.26Å; E647-R651 WeakPolarHBondContact O-CG 3.3Å; E647-R651 PolarHBondContact O-N 3.15Å; E647-R651 IonicContact OE1-CZ 2.66Å; E647-R651 IonicContact OE1-NE 3.95Å; E647-R651 PolarHBondContact OE1-NE 3.21Å; E647-R651 IonicContact OE1-NH2 3.94Å; E647-R651 PolarHBondContact OE1-NH2 3.14Å; R648-R651 PolarHBondContact O-N 2.83Å; S649-R651 PolarHBondContact O-N 2.93Å; R651-A653 VanDerWaalsContact C-N 3.34Å; R651-A653 PolarHBondContact O-N 3.36Å; R651-N654 WeakPolarHBondContact O-CB 3.4Å; R651-N654 PolarHBondContact O-N 2.91Å; R651-N654 VanDerWaalsContact O-N 3.13Å; R651-N655 VanDerWaalsContact O-CG 3.3Å; R651-N655 PolarHBondContact O-N 3.17Å; R651-N655 PolarHBondContact O-OD1 3.37Å
652Q92.2Very high92.4Very high111 Ų11196 Ų9652%0.51945%0.447SS..Hα-helixtrans-57.7-45.5176.4-74.3173-4.400111.7R648 S649 N654 N655 A656R648-Q652 HydrophobicContact CG-CG 4.48Å; R648-Q652 WeakPolarHBondContact O-CB 3.48Å; R648-Q652 WeakPolarHBondContact O-CG 3.44Å; R648-Q652 PolarHBondContact O-N 3.29Å; S649-Q652 PolarHBondContact O-N 3.24Å; Q652-N654 VanDerWaalsContact C-N 3.29Å; Q652-N654 PolarHBondContact O-N 3.4Å; Q652-N655 PolarHBondContact O-N 3.23Å; Q652-A656 WeakPolarHBondContact O-CB 3.37Å; Q652-A656 PolarHBondContact O-N 3.35Å
653A92.8Very high93Very high39 Ų3997.7 Ų97.732%0.32245%0.449SS..Hα-helixtrans-66-28.9177.400000113S649 R651 R657S649-A653 WeakPolarHBondContact O-CB 3.41Å; S649-A653 PolarHBondContact O-N 3.36Å; R651-A653 VanDerWaalsContact C-N 3.34Å; R651-A653 PolarHBondContact O-N 3.36Å; A653-R657 WeakPolarHBondContact O-CG 3.13Å; A653-R657 PolarHBondContact O-N 3.35Å; A653-R657 PolarHBondContact O-NE 3.29Å; A653-R657 PolarHBondContact O-NH2 2.81Å
654N96.6Very high93.8Very high90 Ų9096.9 Ų96.948%0.48145%0.451SS..Hα-helixtrans-71.9-51.4170.9-165.3-1.8000110.8R650 R651 Q652 A656 R657 E658R650-N654 PolarHBondContact O-N 2.82Å; R651-N654 WeakPolarHBondContact O-CB 3.4Å; R651-N654 PolarHBondContact O-N 2.91Å; R651-N654 VanDerWaalsContact O-N 3.13Å; Q652-N654 VanDerWaalsContact C-N 3.29Å; Q652-N654 PolarHBondContact O-N 3.4Å; N654-A656 VanDerWaalsContact C-N 3.27Å; N654-A656 PolarHBondContact O-N 2.97Å; N654-R657 WeakPolarHBondContact O-CA 3.16Å; N654-R657 PolarHBondContact O-N 2.99Å; N654-E658 PolarHBondContact O-N 3.12Å
655N97.1Very high94.3Very high98 Ų9897.8 Ų97.852%0.52445%0.447SS..Hα-helixtrans-56.3-39.3178.1-67.7-1.3000112.3R651 Q652 E658 R659R651-N655 VanDerWaalsContact O-CG 3.3Å; R651-N655 PolarHBondContact O-N 3.17Å; R651-N655 PolarHBondContact O-OD1 3.37Å; Q652-N655 PolarHBondContact O-N 3.23Å; N655-E658 PolarHBondContact O-N 3.27Å; N655-R659 WeakPolarHBondContact O-CB 3.45Å; N655-R659 VanDerWaalsContact O-CG 3.31Å; N655-R659 WeakPolarHBondContact O-CG 3.42Å; N655-R659 PolarHBondContact O-N 3.17Å
656A96.3Very high94.7Very high44 Ų4495 Ų9536%0.36444%0.436SS..Hα-helixtrans-64.8-37.8174.900000113.1Q652 N654 L660Q652-A656 WeakPolarHBondContact O-CB 3.37Å; Q652-A656 PolarHBondContact O-N 3.35Å; N654-A656 VanDerWaalsContact C-N 3.27Å; N654-A656 PolarHBondContact O-N 2.97Å; A656-L660 PolarHBondContact O-N 3.41Å; A656-L660 VanDerWaalsContact O-N 3.14Å
657R96.7Very high95.3Very high158 Ų15892.8 Ų92.860%0.59643%0.432SS*.Hα-helixtrans-71.2-39176.4-78.6176.3-78.1-162.80.7112.1A653 N654 L660 R661A653-R657 WeakPolarHBondContact O-CG 3.13Å; A653-R657 PolarHBondContact O-N 3.35Å; A653-R657 PolarHBondContact O-NE 3.29Å; A653-R657 PolarHBondContact O-NH2 2.81Å; N654-R657 WeakPolarHBondContact O-CA 3.16Å; N654-R657 PolarHBondContact O-N 2.99Å; R657-L660 WeakPolarHBondContact O-CB 3.17Å; R657-L660 PolarHBondContact O-N 3.24Å; R657-R661 PolarHBondContact O-N 3.03Å
658E97.1Very high95.6Very high77 Ų7792.8 Ų92.836%0.3644%0.441SS..Hα-helixtrans-72.8-33.8174.6-166.759.3-147.600111.8N654 N655 L660 R661 V662N654-E658 PolarHBondContact O-N 3.12Å; N655-E658 PolarHBondContact O-N 3.27Å; E658-L660 VanDerWaalsContact C-N 3.28Å; E658-L660 PolarHBondContact O-N 3.2Å; E658-R661 PolarHBondContact O-N 2.98Å; E658-R661 WeakPolarHBondContact OE1-CD 3.18Å; E658-R661 IonicContact OE1-NH1 3.22Å; E658-R661 WeakPolarHBondContact OE2-CD 3.42Å; E658-R661 IonicContact OE2-CZ 3.92Å; E658-R661 IonicContact OE2-NE 2.67Å; E658-R661 IonicContact OE2-NH1 2.87Å; E658-R661 PolarHBondContact OE2-NH1 2.95Å; E658-V662 HydrophobicContact CG-CG2 4.36Å; E658-V662 WeakPolarHBondContact O-CB 3.42Å; E658-V662 WeakPolarHBondContact O-CG2 3.31Å; E658-V662 PolarHBondContact O-N 3.37Å
659R96.3Very high95.9Very high94 Ų9488.1 Ų88.136%0.35543%0.425SS..Hα-helixtrans-56.5-39.4168.2-81.4177169.5172.5-4112.2T78 D82 N655 R663T78-R659 HydrophobicContact CG2-CG 4.24Å; T78-R659 PolarHBondContact O-NH2 3.06Å; D82-R659 IonicContact OD2-CZ 2.88Å; D82-R659 IonicContact OD2-NH1 2.71Å; D82-R659 PolarHBondContact OD2-NH1 2.96Å; D82-R659 IonicContact OD2-NH2 2.9Å; D82-R659 PolarHBondContact OD2-NH2 3.46Å; N655-R659 WeakPolarHBondContact O-CB 3.45Å; N655-R659 VanDerWaalsContact O-CG 3.31Å; N655-R659 WeakPolarHBondContact O-CG 3.42Å; N655-R659 PolarHBondContact O-N 3.17Å; R659-R663 PolarHBondContact O-N 3.46Å
660L96.9Very high96.1Very high83 Ų8391 Ų9144%0.43543%0.429SS..Hα-helixtrans-66.5-49.8172.7-75.3164.8000111.8A656 R657 E658 V662 R663 E664A656-L660 PolarHBondContact O-N 3.41Å; A656-L660 VanDerWaalsContact O-N 3.14Å; R657-L660 WeakPolarHBondContact O-CB 3.17Å; R657-L660 PolarHBondContact O-N 3.24Å; E658-L660 VanDerWaalsContact C-N 3.28Å; E658-L660 PolarHBondContact O-N 3.2Å; L660-V662 PolarHBondContact O-N 3.03Å; L660-R663 WeakPolarHBondContact O-CA 3.06Å; L660-R663 WeakPolarHBondContact O-CB 3.49Å; L660-R663 PolarHBondContact O-N 3.35Å; L660-R663 VanDerWaalsContact O-N 3.08Å; L660-E664 PolarHBondContact O-N 2.89Å
661R97.1Very high96.2Very high133 Ų13392.5 Ų92.550%0.50244%0.441SS..Hα-helixtrans-59-42.8-180-167.6-165.1-168.2171.91.9113R657 E658 R663 E664 I665R657-R661 PolarHBondContact O-N 3.03Å; E658-R661 PolarHBondContact O-N 2.98Å; E658-R661 WeakPolarHBondContact OE1-CD 3.18Å; E658-R661 IonicContact OE1-NH1 3.22Å; E658-R661 WeakPolarHBondContact OE2-CD 3.42Å; E658-R661 IonicContact OE2-CZ 3.92Å; E658-R661 IonicContact OE2-NE 2.67Å; E658-R661 IonicContact OE2-NH1 2.87Å; E658-R661 PolarHBondContact OE2-NH1 2.95Å; R661-R663 VanDerWaalsContact C-N 3.3Å; R661-R663 PolarHBondContact O-N 2.66Å; R661-E664 PolarHBondContact O-N 3.38Å; R661-I665 HydrophobicContact CG-CD1 4.05Å; R661-I665 WeakPolarHBondContact O-CB 3.27Å; R661-I665 VanDerWaalsContact O-CG1 3.28Å; R661-I665 WeakPolarHBondContact O-CG1 3.24Å; R661-I665 PolarHBondContact O-N 3.48Å
662V96.7Very high96.4Very high60 Ų6087.7 Ų87.736%0.36443%0.426SS..Hα-helixtrans-63.4-37.4176.6170.30000110.9E658 L660 N666E658-V662 HydrophobicContact CG-CG2 4.36Å; E658-V662 WeakPolarHBondContact O-CB 3.42Å; E658-V662 WeakPolarHBondContact O-CG2 3.31Å; E658-V662 PolarHBondContact O-N 3.37Å; L660-V662 PolarHBondContact O-N 3.03Å; V662-N666 WeakPolarHBondContact O-CB 3.47Å; V662-N666 PolarHBondContact O-N 3.33Å; V662-N666 PolarHBondContact O-ND2 3.35Å; V662-N666 PolarHBondContact O-OD1 2.69Å
663R97.9Very high96.5Very high143 Ų14383 Ų8354%0.5441%0.408SS..Hα-helixtrans-64-50174.1-169-172.7-58.4146.53.4111.7R659 L660 R661 I665 N666 D667R659-R663 PolarHBondContact O-N 3.46Å; L660-R663 WeakPolarHBondContact O-CA 3.06Å; L660-R663 WeakPolarHBondContact O-CB 3.49Å; L660-R663 PolarHBondContact O-N 3.35Å; L660-R663 VanDerWaalsContact O-N 3.08Å; R661-R663 VanDerWaalsContact C-N 3.3Å; R661-R663 PolarHBondContact O-N 2.66Å; R663-I665 VanDerWaalsContact C-N 3.32Å; R663-I665 PolarHBondContact O-N 2.98Å; R663-N666 WeakPolarHBondContact O-CB 3.47Å; R663-N666 PolarHBondContact O-N 3.33Å; R663-N666 VanDerWaalsContact O-N 3.08Å; R663-D667 PolarHBondContact O-N 3.48Å
664E97.6Very high96.6Very high129 Ų12987.9 Ų87.960%0.60342%0.424SS*.Hα-helixtrans-57.1-44.5176.8-68.9176.4171.900111.9L660 R661 D667 A668L660-E664 PolarHBondContact O-N 2.89Å; R661-E664 PolarHBondContact O-N 3.38Å; E664-D667 PolarHBondContact O-N 2.9Å; E664-A668 WeakPolarHBondContact O-CB 3.34Å; E664-A668 PolarHBondContact O-N 2.68Å
665I97.2Very high96.5Very high75 Ų7587.6 Ų87.639%0.38542%0.421SS..Hα-helixtrans-62.2-44.2174.8-70167.1000110.8R661 R663 D667 F669R661-I665 HydrophobicContact CG-CD1 4.05Å; R661-I665 WeakPolarHBondContact O-CB 3.27Å; R661-I665 VanDerWaalsContact O-CG1 3.28Å; R661-I665 WeakPolarHBondContact O-CG1 3.24Å; R661-I665 PolarHBondContact O-N 3.48Å; R663-I665 VanDerWaalsContact C-N 3.32Å; R663-I665 PolarHBondContact O-N 2.98Å; I665-D667 VanDerWaalsContact C-N 3.35Å; I665-D667 PolarHBondContact O-N 3.04Å; I665-F669 HydrophobicContact CG2-CD2 3.86Å; I665-F669 HydrophobicContact CG2-CE2 3.84Å; I665-F669 VanDerWaalsContact O-CD2 3.24Å; I665-F669 WeakPolarHBondContact O-CD2 3.47Å; I665-F669 PolarHBondContact O-N 3.2Å
666N97.2Very high96.4Very high30 Ų3083 Ų8316%0.1640%0.396CS..Hα-helixtrans-61.7-41.2177.9-74.7-17.5000112.1V662 R663 F669 K670 K688V662-N666 WeakPolarHBondContact O-CB 3.47Å; V662-N666 PolarHBondContact O-N 3.33Å; V662-N666 PolarHBondContact O-ND2 3.35Å; V662-N666 PolarHBondContact O-OD1 2.69Å; R663-N666 WeakPolarHBondContact O-CB 3.47Å; R663-N666 PolarHBondContact O-N 3.33Å; R663-N666 VanDerWaalsContact O-N 3.08Å; N666-F669 WeakPolarHBondContact O-CB 3.2Å; N666-F669 PolarHBondContact O-N 2.97Å; N666-K670 WeakPolarHBondContact O-CG 3.44Å; N666-K670 PolarHBondContact O-N 3.01Å; N666-K670 VanDerWaalsContact O-N 3.12Å; N666-K688 WeakPolarHBondContact OD1-CE 3.43Å; N666-K688 PolarHBondContact OD1-NZ 3.2Å
667D97.2Very high96.2Very high68 Ų6883.8 Ų83.836%0.36440%0.395SS..Hα-helixtrans-73.4-38.4-179.2-68.2-30.6000112R663 E664 I665 F669 K670 E671R663-D667 PolarHBondContact O-N 3.48Å; E664-D667 PolarHBondContact O-N 2.9Å; I665-D667 VanDerWaalsContact C-N 3.35Å; I665-D667 PolarHBondContact O-N 3.04Å; D667-F669 VanDerWaalsContact C-N 3.27Å; D667-F669 PolarHBondContact O-N 3.04Å; D667-K670 WeakPolarHBondContact O-CB 3.39Å; D667-K670 PolarHBondContact O-N 3.14Å; D667-K670 WeakPolarHBondContact OD1-CD 3.32Å; D667-K670 WeakPolarHBondContact OD1-CE 3.44Å; D667-K670 IonicContact OD1-NZ 2.64Å; D667-K670 PolarHBondContact OD1-NZ 3.23Å; D667-E671 PolarHBondContact O-N 3.46Å
668A97Very high96.1Very high54 Ų5483.1 Ų83.145%0.44640%0.402SS..Hα-helixtrans-59.8-36.1169.200000112.5E664 L672E664-A668 WeakPolarHBondContact O-CB 3.34Å; E664-A668 PolarHBondContact O-N 2.68Å; A668-L672 VanDerWaalsContact O-CB 3.26Å; A668-L672 WeakPolarHBondContact O-CB 3.24Å; A668-L672 PolarHBondContact O-N 3.21Å
669F97.1Very high95.8Very high40 Ų4084.2 Ų84.218%0.17541%0.407CS..Hα-helixtrans-65.7-36.3171.7-91.5-69000112.8I665 N666 D667 G673 K688 I691 L692I665-F669 HydrophobicContact CG2-CD2 3.86Å; I665-F669 HydrophobicContact CG2-CE2 3.84Å; I665-F669 VanDerWaalsContact O-CD2 3.24Å; I665-F669 WeakPolarHBondContact O-CD2 3.47Å; I665-F669 PolarHBondContact O-N 3.2Å; N666-F669 WeakPolarHBondContact O-CB 3.2Å; N666-F669 PolarHBondContact O-N 2.97Å; D667-F669 VanDerWaalsContact C-N 3.27Å; D667-F669 PolarHBondContact O-N 3.04Å; F669-G673 PolarHBondContact O-N 2.85Å; F669-K688 HydrophobicContact CB-CG 4.48Å; F669-K688 HydrophobicContact CD1-CB 3.99Å; F669-K688 HydrophobicContact CD1-CD 4.5Å; F669-K688 HydrophobicContact CD1-CG 3.87Å; F669-K688 HydrophobicContact CD2-CD 3.8Å; F669-K688 HydrophobicContact CD2-CG 4.04Å; F669-K688 HydrophobicContact CE1-CB 3.73Å; F669-K688 HydrophobicContact CE1-CG 4.06Å; F669-K688 HydrophobicContact CE2-CB 4.45Å; F669-K688 HydrophobicContact CE2-CD 3.85Å; F669-K688 HydrophobicContact CE2-CG 4.24Å; F669-K688 HydrophobicContact CG-CB 4.47Å; F669-K688 HydrophobicContact CG-CD 4.17Å; F669-K688 HydrophobicContact CG-CG 3.88Å; F669-K688 HydrophobicContact CZ-CB 4Å; F669-K688 HydrophobicContact CZ-CD 4.24Å; F669-K688 HydrophobicContact CZ-CG 4.25Å; F669-I691 HydrophobicContact CD1-CB 4.34Å; F669-I691 HydrophobicContact CD1-CD1 4.36Å; F669-I691 HydrophobicContact CD1-CG2 3.97Å; F669-I691 HydrophobicContact CE1-CG2 4.4Å; F669-L692 HydrophobicContact CE1-CD1 4.45Å; F669-L692 HydrophobicContact CE1-CD2 4.03Å; F669-L692 HydrophobicContact CE1-CG 4Å; F669-L692 HydrophobicContact CZ-CD1 4.38Å; F669-L692 HydrophobicContact CZ-CD2 4.34Å; F669-L692 HydrophobicContact CZ-CG 4.38Å
670K95.1Very high95.5Very high123 Ų12382.7 Ų82.754%0.53541%0.408SS..Hα-helixtrans-66-46.7175.8-65.4167.8-164.5166.80111.1N666 D667 G673 Q674N666-K670 WeakPolarHBondContact O-CG 3.44Å; N666-K670 PolarHBondContact O-N 3.01Å; N666-K670 VanDerWaalsContact O-N 3.12Å; D667-K670 WeakPolarHBondContact O-CB 3.39Å; D667-K670 PolarHBondContact O-N 3.14Å; D667-K670 WeakPolarHBondContact OD1-CD 3.32Å; D667-K670 WeakPolarHBondContact OD1-CE 3.44Å; D667-K670 IonicContact OD1-NZ 2.64Å; D667-K670 PolarHBondContact OD1-NZ 3.23Å; K670-G673 PolarHBondContact O-N 3.31Å; K670-Q674 WeakPolarHBondContact O-CG 3.44Å; K670-Q674 PolarHBondContact O-N 3.46Å
671E95.5Very high95.1Very high144 Ų14481.8 Ų81.867%0.67342%0.419SS*.Hα-helixtrans-61.9-49.1177.8-173.6-179.5-177.700111.4D667 G673 Q674 M675D667-E671 PolarHBondContact O-N 3.46Å; E671-G673 VanDerWaalsContact C-N 3.3Å; E671-G673 PolarHBondContact O-N 3.37Å; E671-Q674 WeakPolarHBondContact O-CB 3.49Å; E671-Q674 PolarHBondContact O-N 3.26Å; E671-Q674 VanDerWaalsContact O-N 3.11Å; E671-M675 PolarHBondContact O-N 3.35Å
672L96.4Very high94.2Very high48 Ų4877.7 Ų77.725%0.25141%0.407SS..Hα-helixtrans-59.8-39.5176.7-178.858.6000111.9A668 M675 I676 I691 A695A668-L672 VanDerWaalsContact O-CB 3.26Å; A668-L672 WeakPolarHBondContact O-CB 3.24Å; A668-L672 PolarHBondContact O-N 3.21Å; L672-M675 HydrophobicContact CD1-CE 3.76Å; L672-M675 PolarHBondContact O-N 3.28Å; L672-I676 HydrophobicContact CD1-CD1 4.28Å; L672-I676 HydrophobicContact CD1-CG1 4.44Å; L672-I676 HydrophobicContact CG-CD1 4.08Å; L672-I676 WeakPolarHBondContact O-CD1 3.39Å; L672-I676 VanDerWaalsContact O-CG1 3.24Å; L672-I676 WeakPolarHBondContact O-CG1 3.19Å; L672-I676 PolarHBondContact O-N 2.6Å; L672-I691 HydrophobicContact CB-CG2 4.12Å; L672-I691 HydrophobicContact CD2-CG2 3.69Å; L672-I691 HydrophobicContact CG-CG2 3.63Å; L672-A695 HydrophobicContact CD1-CB 4.22Å; L672-A695 HydrophobicContact CD2-CB 4.43Å
673G95.6Very high93.6Very high13 Ų1377.4 Ų77.413%0.13442%0.416CS..Hα-helixtrans-62.3-39.9174.100000113.4F669 K670 E671 N677F669-G673 PolarHBondContact O-N 2.85Å; K670-G673 PolarHBondContact O-N 3.31Å; E671-G673 VanDerWaalsContact C-N 3.3Å; E671-G673 PolarHBondContact O-N 3.37Å; G673-N677 WeakPolarHBondContact O-CB 3.4Å; G673-N677 PolarHBondContact O-N 3.08Å
674Q94.5Very high93Very high142 Ų14277.6 Ų77.666%0.66442%0.423SS*.Hα-helixtrans-66.7-44.5174.6-69.3174.735.600111.9K670 E671 I676 N677 L678K670-Q674 WeakPolarHBondContact O-CG 3.44Å; K670-Q674 PolarHBondContact O-N 3.46Å; E671-Q674 WeakPolarHBondContact O-CB 3.49Å; E671-Q674 PolarHBondContact O-N 3.26Å; E671-Q674 VanDerWaalsContact O-N 3.11Å; Q674-I676 VanDerWaalsContact C-N 3.33Å; Q674-I676 PolarHBondContact O-N 3.31Å; Q674-N677 PolarHBondContact O-N 3.17Å; Q674-L678 PolarHBondContact O-N 3.45Å
675M93.4Very high92.6Very high84 Ų8477.2 Ų77.241%0.41443%0.432SS..Hα-helixtrans-60.6-41.3177-171-168.58000111.8E671 L672 L678 H679E671-M675 PolarHBondContact O-N 3.35Å; L672-M675 HydrophobicContact CD1-CE 3.76Å; L672-M675 PolarHBondContact O-N 3.28Å; M675-L678 PolarHBondContact O-N 3.38Å; M675-H679 PolarHBondContact O-CD2 3.22Å; M675-H679 PolarHBondContact O-N 2.85Å
676I95.3Very high92.3Very high0 Ų075.2 Ų75.20%042%0.422CS..Hα-helixtrans-62.9-51.4175.1-71.3163.6000110.8L672 Q674 L678 H679 T680 L686 I691 Q694 A695L672-I676 HydrophobicContact CD1-CD1 4.28Å; L672-I676 HydrophobicContact CD1-CG1 4.44Å; L672-I676 HydrophobicContact CG-CD1 4.08Å; L672-I676 WeakPolarHBondContact O-CD1 3.39Å; L672-I676 VanDerWaalsContact O-CG1 3.24Å; L672-I676 WeakPolarHBondContact O-CG1 3.19Å; L672-I676 PolarHBondContact O-N 2.6Å; Q674-I676 VanDerWaalsContact C-N 3.33Å; Q674-I676 PolarHBondContact O-N 3.31Å; I676-L678 PolarHBondContact O-N 2.98Å; I676-H679 CarbonylContact O-C 3.56Å; I676-H679 WeakPolarHBondContact O-CA 3.41Å; I676-H679 PolarHBondContact O-N 3.37Å; I676-T680 HydrophobicContact CG2-CG2 3.86Å; I676-T680 PolarHBondContact O-N 3.38Å; I676-T680 PolarHBondContact O-OG1 2.79Å; I676-L686 HydrophobicContact CG2-CD1 4.27Å; I676-I691 HydrophobicContact CD1-CB 4.31Å; I676-I691 HydrophobicContact CD1-CG2 3.73Å; I676-I691 WeakPolarHBondContact CD1-O 3.46Å; I676-Q694 HydrophobicContact CD1-CB 4.22Å; I676-Q694 HydrophobicContact CG2-CB 3.6Å; I676-Q694 VanDerWaalsContact CG2-OE1 3.28Å; I676-A695 HydrophobicContact CD1-CB 3.98Å; I676-A695 HydrophobicContact CG1-CB 4.5Å
677N92.5Very high92.3Very high62 Ų6277.5 Ų77.533%0.33244%0.437SS..Hα-helixtrans-55.7-36.5180-17917.6000111.9G673 Q674 H679 T680 G681 N682 G683G673-N677 WeakPolarHBondContact O-CB 3.4Å; G673-N677 PolarHBondContact O-N 3.08Å; Q674-N677 PolarHBondContact O-N 3.17Å; N677-H679 VanDerWaalsContact C-N 3.27Å; N677-H679 PolarHBondContact O-N 2.96Å; N677-T680 WeakPolarHBondContact CA-OG1 3.24Å; N677-G681 VanDerWaalsContact O-CA 3.29Å; N677-G681 WeakPolarHBondContact O-CA 3.26Å; N677-G681 PolarHBondContact O-N 3.16Å; N677-N682 PolarHBondContact OD1-N 3.45Å; N677-N682 PolarHBondContact OD1-O 3.08Å; N677-G683 PolarHBondContact OD1-N 2.69Å; N677-G683 VanDerWaalsContact OD1-N 3.13Å
678L93.5Very high92.3Very high144 Ų14478 Ų7875%0.75444%0.436SS*.Hα-helixtrans-62.2-30.5173.4-17762.7000113.5Q674 M675 I676Q674-L678 PolarHBondContact O-N 3.45Å; M675-L678 PolarHBondContact O-N 3.38Å; I676-L678 PolarHBondContact O-N 2.98Å
679H92.1Very high92.3Very high99 Ų9980.7 Ų80.746%0.45844%0.442SS..Hα-helixtrans-93.2-27.3179.3-73.4-60.1000114.5M675 I676 N677 V698M675-H679 PolarHBondContact O-CD2 3.22Å; M675-H679 PolarHBondContact O-N 2.85Å; I676-H679 CarbonylContact O-C 3.56Å; I676-H679 WeakPolarHBondContact O-CA 3.41Å; I676-H679 PolarHBondContact O-N 3.37Å; N677-H679 VanDerWaalsContact C-N 3.27Å; N677-H679 PolarHBondContact O-N 2.96Å; H679-V698 HydrophobicContact CB-CG1 3.67Å; H679-V698 HydrophobicContact CB-CG2 4.01Å
680T90.3Very high92.2Very high62 Ų6282.5 Ų82.538%0.3845%0.452SS..Hα-helixtrans-100.7-22-177.554.50000113.6I676 N677 N682 V698I676-T680 HydrophobicContact CG2-CG2 3.86Å; I676-T680 PolarHBondContact O-N 3.38Å; I676-T680 PolarHBondContact O-OG1 2.79Å; N677-T680 WeakPolarHBondContact CA-OG1 3.24Å; T680-N682 PolarHBondContact O-N 3.28Å; T680-N682 PolarHBondContact OG1-N 3.05Å; T680-N682 PolarHBondContact OG1-OD1 2.92Å; T680-V698 HydrophobicContact CG2-CG2 3.79Å
681G87Confident92.3Very high64 Ų6477.2 Ų77.266%0.6643%0.43SS*.  trans70.711.6-172.400000114.8N677 G683N677-G681 VanDerWaalsContact O-CA 3.29Å; N677-G681 WeakPolarHBondContact O-CA 3.26Å; N677-G681 PolarHBondContact O-N 3.16Å; G681-G683 PolarHBondContact O-N 2.91Å
682N79Confident92.4Very high48 Ų4874.6 Ų74.626%0.25742%0.42SS..  trans-91.579.7-174.5652.8000113.2N677 T680 Q684 Q694N677-N682 PolarHBondContact OD1-N 3.45Å; N677-N682 PolarHBondContact OD1-O 3.08Å; T680-N682 PolarHBondContact O-N 3.28Å; T680-N682 PolarHBondContact OG1-N 3.05Å; T680-N682 PolarHBondContact OG1-OD1 2.92Å; N682-Q684 PolarHBondContact O-N 3Å; N682-Q694 PolarHBondContact ND2-NE2 2.63Å; N682-Q694 PolarHBondContact ND2-OE1 3.33Å
683G84.1Confident92.3Very high54 Ų5477.5 Ų77.556%0.55743%0.432SS*.  trans-67.846.6174.800000115.3N677 G681N677-G683 PolarHBondContact OD1-N 2.69Å; N677-G683 VanDerWaalsContact OD1-N 3.13Å; G681-G683 PolarHBondContact O-N 2.91Å
684Q85.1Confident92.3Very high146 Ų14678.4 Ų78.468%0.68243%0.433SS*.SBendtrans-115.5144.1170.8-65.8-62.3-81.800108.9N682 L686N682-Q684 PolarHBondContact O-N 3Å; Q684-L686 PolarHBondContact O-N 3.5Å
685P89.2Confident92.4Very high121 Ų12172 Ų7279%0.78641%0.405SS*.  trans-61.7130.1175.526.4-33.7000110.4
686L92.2Very high92.6Very high34 Ų3472.5 Ų72.518%0.17841%0.412CS..  trans-105.2141.8-178.2-58.9-178.1000110.4I676 Q684 M690 I691I676-L686 HydrophobicContact CG2-CD1 4.27Å; Q684-L686 PolarHBondContact O-N 3.5Å; L686-M690 HydrophobicContact CB-CB 4.27Å; L686-M690 HydrophobicContact CD2-CE 4.05Å; L686-I691 HydrophobicContact CB-CD1 4.25Å; L686-I691 HydrophobicContact CB-CG1 3.63Å; L686-I691 HydrophobicContact CD1-CG1 4.19Å
687T96.3Very high92.6Very high78 Ų7877 Ų7748%0.47944%0.44SS..  trans-70.8155.5168.569.10000110.3L689 M690 I691T687-L689 PolarHBondContact O-N 2.88Å; T687-L689 VanDerWaalsContact O-N 3.11Å; T687-M690 HydrophobicContact CG2-SD 4.28Å; T687-M690 PolarHBondContact O-N 3.49Å; T687-M690 WeakPolarHBondContact OG1-CG 3.44Å; T687-M690 PolarHBondContact OG1-N 3.32Å; T687-I691 WeakPolarHBondContact O-CG1 3.48Å; T687-I691 PolarHBondContact O-N 3.35Å
688K97.1Very high92.7Very high77 Ų7774.9 Ų74.934%0.33543%0.429SS..Hα-helixtrans-50.4-38.4175.7-69.4-176.4175.5179.70112.8N666 F669 I691 L692N666-K688 WeakPolarHBondContact OD1-CE 3.43Å; N666-K688 PolarHBondContact OD1-NZ 3.2Å; F669-K688 HydrophobicContact CB-CG 4.48Å; F669-K688 HydrophobicContact CD1-CB 3.99Å; F669-K688 HydrophobicContact CD1-CD 4.5Å; F669-K688 HydrophobicContact CD1-CG 3.87Å; F669-K688 HydrophobicContact CD2-CD 3.8Å; F669-K688 HydrophobicContact CD2-CG 4.04Å; F669-K688 HydrophobicContact CE1-CB 3.73Å; F669-K688 HydrophobicContact CE1-CG 4.06Å; F669-K688 HydrophobicContact CE2-CB 4.45Å; F669-K688 HydrophobicContact CE2-CD 3.85Å; F669-K688 HydrophobicContact CE2-CG 4.24Å; F669-K688 HydrophobicContact CG-CB 4.47Å; F669-K688 HydrophobicContact CG-CD 4.17Å; F669-K688 HydrophobicContact CG-CG 3.88Å; F669-K688 HydrophobicContact CZ-CB 4Å; F669-K688 HydrophobicContact CZ-CD 4.24Å; F669-K688 HydrophobicContact CZ-CG 4.25Å; K688-I691 PolarHBondContact O-N 3.46Å; K688-L692 WeakPolarHBondContact O-CG 3.39Å; K688-L692 PolarHBondContact O-N 3.14Å; K688-L692 VanDerWaalsContact O-N 3.15Å
689L96.5Very high92.8Very high111 Ų11171.7 Ų71.758%0.58141%0.412SS*.Hα-helixtrans-66.3-44176.2-179.261000112.4T687 I691 L692 Q693T687-L689 PolarHBondContact O-N 2.88Å; T687-L689 VanDerWaalsContact O-N 3.11Å; L689-I691 VanDerWaalsContact C-N 3.32Å; L689-I691 PolarHBondContact O-N 3.29Å; L689-L692 PolarHBondContact O-N 2.83Å; L689-Q693 WeakPolarHBondContact O-CG 3.33Å; L689-Q693 PolarHBondContact O-N 2.79Å
690M95.9Very high93Very high78 Ų7870.4 Ų70.438%0.38441%0.411SS..Hα-helixtrans-65.8-34.7176.2-69.6171.977.700112.1L686 T687 Q693 Q694L686-M690 HydrophobicContact CB-CB 4.27Å; L686-M690 HydrophobicContact CD2-CE 4.05Å; T687-M690 HydrophobicContact CG2-SD 4.28Å; T687-M690 PolarHBondContact O-N 3.49Å; T687-M690 WeakPolarHBondContact OG1-CG 3.44Å; T687-M690 PolarHBondContact OG1-N 3.32Å; M690-Q693 PolarHBondContact O-N 2.95Å; M690-Q694 WeakPolarHBondContact O-CB 3.33Å; M690-Q694 VanDerWaalsContact O-CG 3.29Å; M690-Q694 WeakPolarHBondContact O-CG 3.47Å; M690-Q694 PolarHBondContact O-N 3.01Å
691I96.3Very high93.2Very high13 Ų1368.8 Ų68.87%0.06741%0.407CS..Hα-helixtrans-59.7-48.5172.8-68.3171.7000109.7F669 L672 I676 L686 T687 K688 L689 Q693 Q694 A695F669-I691 HydrophobicContact CD1-CB 4.34Å; F669-I691 HydrophobicContact CD1-CD1 4.36Å; F669-I691 HydrophobicContact CD1-CG2 3.97Å; F669-I691 HydrophobicContact CE1-CG2 4.4Å; L672-I691 HydrophobicContact CB-CG2 4.12Å; L672-I691 HydrophobicContact CD2-CG2 3.69Å; L672-I691 HydrophobicContact CG-CG2 3.63Å; I676-I691 HydrophobicContact CD1-CB 4.31Å; I676-I691 HydrophobicContact CD1-CG2 3.73Å; I676-I691 WeakPolarHBondContact CD1-O 3.46Å; L686-I691 HydrophobicContact CB-CD1 4.25Å; L686-I691 HydrophobicContact CB-CG1 3.63Å; L686-I691 HydrophobicContact CD1-CG1 4.19Å; T687-I691 WeakPolarHBondContact O-CG1 3.48Å; T687-I691 PolarHBondContact O-N 3.35Å; K688-I691 PolarHBondContact O-N 3.46Å; L689-I691 VanDerWaalsContact C-N 3.32Å; L689-I691 PolarHBondContact O-N 3.29Å; I691-Q693 PolarHBondContact O-N 3.39Å; I691-Q694 PolarHBondContact O-N 3.03Å; I691-A695 VanDerWaalsContact O-CB 3.31Å; I691-A695 WeakPolarHBondContact O-CB 3.41Å; I691-A695 PolarHBondContact O-N 2.94Å
692L97.4Very high93.5Very high88 Ų8868.9 Ų68.946%0.46139%0.391SS..Hα-helixtrans-62.9-44.1176.8-63.8175.6000112.8F669 K688 L689 Q694 A695 V696F669-L692 HydrophobicContact CE1-CD1 4.45Å; F669-L692 HydrophobicContact CE1-CD2 4.03Å; F669-L692 HydrophobicContact CE1-CG 4Å; F669-L692 HydrophobicContact CZ-CD1 4.38Å; F669-L692 HydrophobicContact CZ-CD2 4.34Å; F669-L692 HydrophobicContact CZ-CG 4.38Å; K688-L692 WeakPolarHBondContact O-CG 3.39Å; K688-L692 PolarHBondContact O-N 3.14Å; K688-L692 VanDerWaalsContact O-N 3.15Å; L689-L692 PolarHBondContact O-N 2.83Å; L692-Q694 VanDerWaalsContact C-N 3.35Å; L692-Q694 PolarHBondContact O-N 2.88Å; L692-A695 PolarHBondContact O-N 2.87Å; L692-V696 PolarHBondContact O-N 3.24Å
693Q96Very high94.2Very high109 Ų10970.3 Ų70.351%0.50940%0.397SS..Hα-helixtrans-62.3-40.8178.8-71.2169.2-15.900112.4L689 M690 I691 T697L689-Q693 WeakPolarHBondContact O-CG 3.33Å; L689-Q693 PolarHBondContact O-N 2.79Å; M690-Q693 PolarHBondContact O-N 2.95Å; I691-Q693 PolarHBondContact O-N 3.39Å; Q693-T697 PolarHBondContact O-N 3.3Å; Q693-T697 PolarHBondContact O-OG1 2.8Å
694Q94.8Very high94.5Very high32 Ų3273 Ų7315%0.1540%0.395CS..Hα-helixtrans-76.8-33177.8-68.3179.739.600112.3I676 N682 M690 I691 L692 V696 T697 V698I676-Q694 HydrophobicContact CD1-CB 4.22Å; I676-Q694 HydrophobicContact CG2-CB 3.6Å; I676-Q694 VanDerWaalsContact CG2-OE1 3.28Å; N682-Q694 PolarHBondContact ND2-NE2 2.63Å; N682-Q694 PolarHBondContact ND2-OE1 3.33Å; M690-Q694 WeakPolarHBondContact O-CB 3.33Å; M690-Q694 VanDerWaalsContact O-CG 3.29Å; M690-Q694 WeakPolarHBondContact O-CG 3.47Å; M690-Q694 PolarHBondContact O-N 3.01Å; I691-Q694 PolarHBondContact O-N 3.03Å; L692-Q694 VanDerWaalsContact C-N 3.35Å; L692-Q694 PolarHBondContact O-N 2.88Å; Q694-V696 PolarHBondContact O-N 3.08Å; Q694-T697 WeakPolarHBondContact O-CB 3.32Å; Q694-T697 PolarHBondContact O-N 2.87Å; Q694-T697 VanDerWaalsContact O-N 3.13Å; Q694-V698 WeakPolarHBondContact O-CB 3.5Å; Q694-V698 WeakPolarHBondContact O-CG2 3.45Å; Q694-V698 PolarHBondContact O-N 3.1Å
695A96.8Very high94.7Very high9 Ų969.4 Ų69.47%0.07438%0.378CS..Hα-helixtrans-55.8-49.417200000111.1L672 I676 I691 L692 T697 V698 I699L672-A695 HydrophobicContact CD1-CB 4.22Å; L672-A695 HydrophobicContact CD2-CB 4.43Å; I676-A695 HydrophobicContact CD1-CB 3.98Å; I676-A695 HydrophobicContact CG1-CB 4.5Å; I691-A695 VanDerWaalsContact O-CB 3.31Å; I691-A695 WeakPolarHBondContact O-CB 3.41Å; I691-A695 PolarHBondContact O-N 2.94Å; L692-A695 PolarHBondContact O-N 2.87Å; A695-T697 VanDerWaalsContact C-N 3.28Å; A695-T697 PolarHBondContact O-N 3.43Å; A695-V698 PolarHBondContact O-N 3.4Å; A695-I699 WeakPolarHBondContact O-CB 3.28Å; A695-I699 WeakPolarHBondContact O-CD1 3.42Å; A695-I699 WeakPolarHBondContact O-CG1 3.39Å; A695-I699 PolarHBondContact O-N 3.05Å
696V96.7Very high94.7Very high93 Ų9367.4 Ų67.456%0.56436%0.363SS*.Hα-helixtrans-59.7-39.4176.1174.70000111.6L692 Q694 T700L692-V696 PolarHBondContact O-N 3.24Å; Q694-V696 PolarHBondContact O-N 3.08Å; V696-T700 WeakPolarHBondContact O-CB 3.34Å; V696-T700 WeakPolarHBondContact O-CG2 3.34Å; V696-T700 PolarHBondContact O-N 3.3Å; V696-T700 PolarHBondContact O-OG1 3.38Å
697T95.1Very high94.5Very high96 Ų9672.8 Ų72.859%0.58938%0.381SS*.Hα-helixtrans-67.8-43.2178.8-53.40000112Q693 Q694 A695 T700 G701Q693-T697 PolarHBondContact O-N 3.3Å; Q693-T697 PolarHBondContact O-OG1 2.8Å; Q694-T697 WeakPolarHBondContact O-CB 3.32Å; Q694-T697 PolarHBondContact O-N 2.87Å; Q694-T697 VanDerWaalsContact O-N 3.13Å; A695-T697 VanDerWaalsContact C-N 3.28Å; A695-T697 PolarHBondContact O-N 3.43Å; T697-T700 PolarHBondContact O-OG1 2.96Å; T697-G701 PolarHBondContact O-N 3.46Å; T697-G701 VanDerWaalsContact O-N 3.1Å
698V95.4Very high94.1Very high17 Ų1775.1 Ų75.110%0.10339%0.387CS..Hα-helixtrans-68.5-46.1177.3170.60000110.8H679 T680 Q694 A695 G701 L702H679-V698 HydrophobicContact CB-CG1 3.67Å; H679-V698 HydrophobicContact CB-CG2 4.01Å; T680-V698 HydrophobicContact CG2-CG2 3.79Å; Q694-V698 WeakPolarHBondContact O-CB 3.5Å; Q694-V698 WeakPolarHBondContact O-CG2 3.45Å; Q694-V698 PolarHBondContact O-N 3.1Å; A695-V698 PolarHBondContact O-N 3.4Å; V698-G701 PolarHBondContact O-N 2.89Å; V698-L702 HydrophobicContact CG1-CD1 3.72Å; V698-L702 HydrophobicContact CG1-CG 4.27Å; V698-L702 WeakPolarHBondContact O-CB 3.32Å; V698-L702 VanDerWaalsContact O-CG 3.27Å; V698-L702 WeakPolarHBondContact O-CG 3.46Å; V698-L702 PolarHBondContact O-N 3.13Å
699I96Very high93.2Very high76 Ų7679.5 Ų79.539%0.3940%0.401SS..Hα-helixtrans-60-52178.7-69.3164.8000110.3A695 G701 L702 E703A695-I699 WeakPolarHBondContact O-CB 3.28Å; A695-I699 WeakPolarHBondContact O-CD1 3.42Å; A695-I699 WeakPolarHBondContact O-CG1 3.39Å; A695-I699 PolarHBondContact O-N 3.05Å; I699-G701 VanDerWaalsContact C-N 3.34Å; I699-G701 PolarHBondContact O-N 2.8Å; I699-L702 PolarHBondContact O-N 3.29Å; I699-L702 VanDerWaalsContact O-N 3.16Å; I699-E703 HydrophobicContact CG2-CG 4.28Å; I699-E703 WeakPolarHBondContact O-CB 3.38Å; I699-E703 WeakPolarHBondContact O-CG 3.32Å; I699-E703 PolarHBondContact O-N 3.17Å
700T96Very high91.9Very high73 Ų7379.6 Ų79.645%0.44840%0.402SS..Hα-helixtrans-63.5-37.1179.9510000112.9V696 T697 Q704V696-T700 WeakPolarHBondContact O-CB 3.34Å; V696-T700 WeakPolarHBondContact O-CG2 3.34Å; V696-T700 PolarHBondContact O-N 3.3Å; V696-T700 PolarHBondContact O-OG1 3.38Å; T697-T700 PolarHBondContact O-OG1 2.96Å; T700-Q704 WeakPolarHBondContact O-CB 3.31Å; T700-Q704 PolarHBondContact O-N 2.79Å
701G94.2Very high90.2Very high28 Ų2882.2 Ų82.229%0.28942%0.417SS..Hα-helixtrans-69.1-3117400000114.4T697 V698 I699 Q705T697-G701 PolarHBondContact O-N 3.46Å; T697-G701 VanDerWaalsContact O-N 3.1Å; V698-G701 PolarHBondContact O-N 2.89Å; I699-G701 VanDerWaalsContact C-N 3.34Å; I699-G701 PolarHBondContact O-N 2.8Å; G701-Q705 WeakPolarHBondContact O-CG 3.35Å; G701-Q705 PolarHBondContact O-N 2.72Å; G701-Q705 PolarHBondContact O-NE2 3.42Å
702L93.6Very high88.4Confident65 Ų6584.4 Ų84.434%0.3443%0.429SS..Hα-helixtrans-77.3-41.9172.7-71.9174.4000111.4V698 I699 Q704 Q705 V706V698-L702 HydrophobicContact CG1-CD1 3.72Å; V698-L702 HydrophobicContact CG1-CG 4.27Å; V698-L702 WeakPolarHBondContact O-CB 3.32Å; V698-L702 VanDerWaalsContact O-CG 3.27Å; V698-L702 WeakPolarHBondContact O-CG 3.46Å; V698-L702 PolarHBondContact O-N 3.13Å; I699-L702 PolarHBondContact O-N 3.29Å; I699-L702 VanDerWaalsContact O-N 3.16Å; L702-Q704 VanDerWaalsContact C-N 3.32Å; L702-Q704 PolarHBondContact O-N 2.67Å; L702-Q705 PolarHBondContact O-N 3.29Å; L702-Q705 VanDerWaalsContact O-N 3.15Å; L702-V706 WeakPolarHBondContact O-CB 3.5Å; L702-V706 VanDerWaalsContact O-CG2 3.32Å; L702-V706 WeakPolarHBondContact O-CG2 3.38Å; L702-V706 PolarHBondContact O-N 3.43Å
703E93.1Very high86.6Confident79 Ų7984.5 Ų84.537%0.36944%0.435SS..Hα-helixtrans-57.5-43.7173.1-78.6-177.1-175.600111.7I699 V706 R707I699-E703 HydrophobicContact CG2-CG 4.28Å; I699-E703 WeakPolarHBondContact O-CB 3.38Å; I699-E703 WeakPolarHBondContact O-CG 3.32Å; I699-E703 PolarHBondContact O-N 3.17Å; E703-V706 PolarHBondContact O-N 3.25Å; E703-R707 WeakPolarHBondContact O-CB 3.45Å; E703-R707 PolarHBondContact O-N 3.36Å
704Q90.7Very high84.7Confident109 Ų10987.2 Ų87.251%0.50945%0.445SS..Hα-helixtrans-61.1-45174.8-179.4171.8-7.500111.3T700 L702 R707 E708T700-Q704 WeakPolarHBondContact O-CB 3.31Å; T700-Q704 PolarHBondContact O-N 2.79Å; L702-Q704 VanDerWaalsContact C-N 3.32Å; L702-Q704 PolarHBondContact O-N 2.67Å; Q704-R707 WeakPolarHBondContact O-CB 3.08Å; Q704-R707 PolarHBondContact O-N 3.33Å; Q704-E708 HydrophobicContact CG-CG 4.38Å; Q704-E708 VanDerWaalsContact CG-OE1 3.29Å; Q704-E708 WeakPolarHBondContact CG-OE1 3.49Å; Q704-E708 PolarHBondContact NE2-OE1 2.87Å; Q704-E708 WeakPolarHBondContact O-CB 3.28Å; Q704-E708 WeakPolarHBondContact O-CG 3.38Å; Q704-E708 PolarHBondContact O-N 2.86Å
705Q89.1Confident83.1Confident72 Ų7291.9 Ų91.934%0.33647%0.467SS..Hα-helixtrans-65.3-39.3176.6-78.3179.575.400113.4G701 L702 R707 R709G701-Q705 WeakPolarHBondContact O-CG 3.35Å; G701-Q705 PolarHBondContact O-N 2.72Å; G701-Q705 PolarHBondContact O-NE2 3.42Å; L702-Q705 PolarHBondContact O-N 3.29Å; L702-Q705 VanDerWaalsContact O-N 3.15Å; Q705-R707 VanDerWaalsContact C-N 3.34Å; Q705-R709 VanDerWaalsContact O-CB 3.3Å; Q705-R709 WeakPolarHBondContact O-CB 3.33Å; Q705-R709 VanDerWaalsContact O-CG 3.27Å; Q705-R709 WeakPolarHBondContact O-CG 3.26Å; Q705-R709 PolarHBondContact O-N 2.86Å; Q705-R709 VanDerWaalsContact OE1-CZ 3.29Å
706V89Confident81.3Confident78 Ų7894 Ų9447%0.47348%0.484SS..Hα-helixtrans-63.6-43.2174.3166.40000109.6L702 E703 N710L702-V706 WeakPolarHBondContact O-CB 3.5Å; L702-V706 VanDerWaalsContact O-CG2 3.32Å; L702-V706 WeakPolarHBondContact O-CG2 3.38Å; L702-V706 PolarHBondContact O-N 3.43Å; E703-V706 PolarHBondContact O-N 3.25Å; V706-N710 VanDerWaalsContact O-CB 3.24Å; V706-N710 WeakPolarHBondContact O-CB 3.44Å; V706-N710 PolarHBondContact O-N 2.96Å; V706-N710 PolarHBondContact O-ND2 2.85Å
707R89.2Confident79.4Confident148 Ų14892.9 Ų92.956%0.55848%0.48SS*.Hα-helixtrans-62.2-53.1175.9-172.9175.1-62.8154.28.1111E703 Q704 Q705 R709 N710 L711E703-R707 WeakPolarHBondContact O-CB 3.45Å; E703-R707 PolarHBondContact O-N 3.36Å; Q704-R707 WeakPolarHBondContact O-CB 3.08Å; Q704-R707 PolarHBondContact O-N 3.33Å; Q705-R707 VanDerWaalsContact C-N 3.34Å; R707-R709 PolarHBondContact O-N 3.31Å; R707-N710 PolarHBondContact O-N 3.44Å; R707-L711 HydrophobicContact CG-CD1 3.48Å; R707-L711 VanDerWaalsContact CG-CD1 3.48Å; R707-L711 HydrophobicContact CG-CG 3.95Å; R707-L711 WeakPolarHBondContact O-CB 3.48Å; R707-L711 WeakPolarHBondContact O-CG 3.49Å; R707-L711 PolarHBondContact O-N 3.4Å
708E86.5Confident77.6Confident127 Ų12793 Ų9359%0.59348%0.476SS*.Hα-helixtrans-63.4-36.5-179.4-73.2173.5-17100113.4Q704Q704-E708 HydrophobicContact CG-CG 4.38Å; Q704-E708 VanDerWaalsContact CG-OE1 3.29Å; Q704-E708 WeakPolarHBondContact CG-OE1 3.49Å; Q704-E708 PolarHBondContact NE2-OE1 2.87Å; Q704-E708 WeakPolarHBondContact O-CB 3.28Å; Q704-E708 WeakPolarHBondContact O-CG 3.38Å; Q704-E708 PolarHBondContact O-N 2.86Å
709R79.4Confident75.7Confident168 Ų16898.4 Ų98.463%0.63450%0.499SS*.Hα-helixtrans-78.3-34.6178-68177.8-174126.411.3113.3Q705 R707Q705-R709 VanDerWaalsContact O-CB 3.3Å; Q705-R709 WeakPolarHBondContact O-CB 3.33Å; Q705-R709 VanDerWaalsContact O-CG 3.27Å; Q705-R709 WeakPolarHBondContact O-CG 3.26Å; Q705-R709 PolarHBondContact O-N 2.86Å; Q705-R709 VanDerWaalsContact OE1-CZ 3.29Å; R707-R709 PolarHBondContact O-N 3.31Å
710N69Low73.9Confident113 Ų113103.3 Ų103.360%0.60451%0.512SS*.Hα-helixtrans-96.1-19.5-176.4-64.9-72.8000114.7V706 R707 N712V706-N710 VanDerWaalsContact O-CB 3.24Å; V706-N710 WeakPolarHBondContact O-CB 3.44Å; V706-N710 PolarHBondContact O-N 2.96Å; V706-N710 PolarHBondContact O-ND2 2.85Å; R707-N710 PolarHBondContact O-N 3.44Å; N710-N712 PolarHBondContact O-N 3.28Å
711L60.9Low72Confident133 Ų133108.8 Ų108.870%0.69653%0.525SS*.SBendtrans-66.43.6172.1-78.7-178.3000114R707 P713R707-L711 HydrophobicContact CG-CD1 3.48Å; R707-L711 VanDerWaalsContact CG-CD1 3.48Å; R707-L711 HydrophobicContact CG-CG 3.95Å; R707-L711 WeakPolarHBondContact O-CB 3.48Å; R707-L711 WeakPolarHBondContact O-CG 3.49Å; R707-L711 PolarHBondContact O-N 3.4Å; L711-P713 WeakPolarHBondContact O-CD 3.4Å
712N57.6Low70.2Confident60 Ų60113.7 Ų113.732%0.32154%0.54SS..  trans-113.859.4174-147.8-23.6000112.7N710 K714 Q715 A716N710-N712 PolarHBondContact O-N 3.28Å; N712-K714 PolarHBondContact O-N 2.88Å; N712-K714 VanDerWaalsContact O-N 3.08Å; N712-Q715 HydrophobicContact CB-CB 4.28Å; N712-Q715 PolarHBondContact ND2-NE2 3.28Å; N712-Q715 PolarHBondContact ND2-OE1 2.93Å; N712-Q715 PolarHBondContact O-N 2.71Å; N712-Q715 WeakPolarHBondContact OD1-CG 3.48Å; N712-Q715 PolarHBondContact OD1-N 3.37Å; N712-A716 PolarHBondContact O-N 2.87Å
713P59.8Low68.4Low89 Ų89116.9 Ų116.958%0.57855%0.553SS**Hα-helixtrans-61.3-21.9179.727.3-35.4000112.2L711 C717L711-P713 WeakPolarHBondContact O-CD 3.4Å; P713-C717 WeakPolarHBondContact O-CB 3.33Å; P713-C717 PolarHBondContact O-N 2.98Å
714K56.7Low66.4Low166 Ų166121.4 Ų121.472%0.72257%0.574SS**Hα-helixtrans-67.4-44.2171-71.9-177.1177.5176.10112.1N712 C717 L718N712-K714 PolarHBondContact O-N 2.88Å; N712-K714 VanDerWaalsContact O-N 3.08Å; K714-C717 PolarHBondContact O-N 3.49Å; K714-L718 WeakPolarHBondContact O-CB 3.42Å; K714-L718 WeakPolarHBondContact O-CD1 3.45Å; K714-L718 PolarHBondContact O-N 3.49Å
715Q60.4Low64.5Low130 Ų130125 Ų12561%0.60759%0.588SS**Hα-helixtrans-74.7-36.5177.2-73.1-175.3800113.2N712 C717 L718 K719N712-Q715 HydrophobicContact CB-CB 4.28Å; N712-Q715 PolarHBondContact ND2-NE2 3.28Å; N712-Q715 PolarHBondContact ND2-OE1 2.93Å; N712-Q715 PolarHBondContact O-N 2.71Å; N712-Q715 WeakPolarHBondContact OD1-CG 3.48Å; N712-Q715 PolarHBondContact OD1-N 3.37Å; Q715-C717 PolarHBondContact O-N 3.49Å; Q715-L718 PolarHBondContact O-N 3.11Å; Q715-K719 WeakPolarHBondContact O-CB 3.38Å; Q715-K719 PolarHBondContact O-N 3.34Å
716A58.2Low62.5Low54 Ų54126.7 Ų126.745%0.44661%0.608SS.*Hα-helixtrans-66.1-14.7172.900000113.9N712 R720N712-A716 PolarHBondContact O-N 2.87Å; A716-R720 PolarHBondContact O-NE 2.91Å; A716-R720 PolarHBondContact O-NH2 3.31Å
717C58.5Low60.3Low70 Ų70126.5 Ų126.547%0.47362%0.621SS.*Hα-helixtrans-99.5-38.5172.8-166.20000112.4P713 K714 Q715 R721P713-C717 WeakPolarHBondContact O-CB 3.33Å; P713-C717 PolarHBondContact O-N 2.98Å; K714-C717 PolarHBondContact O-N 3.49Å; Q715-C717 PolarHBondContact O-N 3.49Å; C717-R721 WeakPolarHBondContact O-CB 3.31Å; C717-R721 PolarHBondContact O-N 3.24Å
718L56.1Low58.1Low97 Ų97128.5 Ų128.551%0.50864%0.637SS.*Hα-helixtrans-61.5-46.2174-107.673.9000112K714 Q715 R720 R721 E722K714-L718 WeakPolarHBondContact O-CB 3.42Å; K714-L718 WeakPolarHBondContact O-CD1 3.45Å; K714-L718 PolarHBondContact O-N 3.49Å; Q715-L718 PolarHBondContact O-N 3.11Å; L718-R720 VanDerWaalsContact C-N 3.29Å; L718-R720 PolarHBondContact O-N 3.11Å; L718-R721 CarbonylContact O-C 3.55Å; L718-R721 WeakPolarHBondContact O-CA 3.38Å; L718-R721 PolarHBondContact O-N 3.08Å; L718-E722 PolarHBondContact O-N 2.95Å
719K56.4Low56.1Low132 Ų132127 Ų12757%0.57465%0.647SS**Hα-helixtrans-58.8-41.2-177.1-172.2173.4178.4-178.50112.3Q715 R721 E723Q715-K719 WeakPolarHBondContact O-CB 3.38Å; Q715-K719 PolarHBondContact O-N 3.34Å; K719-R721 PolarHBondContact O-N 3.37Å; K719-E723 WeakPolarHBondContact CE-OE1 3.45Å; K719-E723 WeakPolarHBondContact CG-OE1 3.44Å; K719-E723 IonicContact NZ-OE1 3.93Å; K719-E723 WeakPolarHBondContact O-CG 3.3Å; K719-E723 PolarHBondContact O-N 2.93Å
720R56.7Low54.4Low178 Ų178125 Ų12567%0.67266%0.655SS**Hα-helixtrans-73.4-4174-73.9-174.8-71.8165-4.4114.7A716 L718A716-R720 PolarHBondContact O-NE 2.91Å; A716-R720 PolarHBondContact O-NH2 3.31Å; L718-R720 VanDerWaalsContact C-N 3.29Å; L718-R720 PolarHBondContact O-N 3.11Å
721R56.8Low53.1Low189 Ų189127.5 Ų127.571%0.71366%0.663SS**Hα-helixtrans-113.6-22.1-179.2-172171.3-113.7-172.8-1.3113.6C717 L718 K719 K725C717-R721 WeakPolarHBondContact O-CB 3.31Å; C717-R721 PolarHBondContact O-N 3.24Å; L718-R721 CarbonylContact O-C 3.55Å; L718-R721 WeakPolarHBondContact O-CA 3.38Å; L718-R721 PolarHBondContact O-N 3.08Å; K719-R721 PolarHBondContact O-N 3.37Å; R721-K725 WeakPolarHBondContact O-CB 3.38Å
722E56.4Low52Low130 Ų130130.8 Ų130.861%0.60767%0.672SS**Hα-helixtrans-85-33.4171.9-69.4-179116.900112.1L718 E724 K725 S726L718-E722 PolarHBondContact O-N 2.95Å; E722-E724 VanDerWaalsContact C-N 3.26Å; E722-E724 PolarHBondContact O-N 3.06Å; E722-K725 PolarHBondContact O-N 3.48Å; E722-S726 PolarHBondContact O-OG 3.44Å
723E55.6Low51.3Low132 Ų132133.9 Ų133.962%0.61770%0.698SS**THydrogen-bonded Turntrans-67.2-22.5176.7-70.1175.2-174.700112.9K719K719-E723 WeakPolarHBondContact CE-OE1 3.45Å; K719-E723 WeakPolarHBondContact CG-OE1 3.44Å; K719-E723 IonicContact NZ-OE1 3.93Å; K719-E723 WeakPolarHBondContact O-CG 3.3Å; K719-E723 PolarHBondContact O-N 2.93Å
724E51.7Low50.2Low174 Ų174133.1 Ų133.181%0.81371%0.707SS**THydrogen-bonded Turntrans-98.43.2176-64.4-172.5157.100114.4E722E722-E724 VanDerWaalsContact C-N 3.26Å; E722-E724 PolarHBondContact O-N 3.06Å
725K50Low49.5Very low186 Ų186131 Ų13181%0.80971%0.713SS**SBendtrans-121.610.1-171.5-15679.1-173.1179.80114.7R721 E722R721-K725 WeakPolarHBondContact O-CB 3.38Å; E722-K725 PolarHBondContact O-N 3.48Å
726S47.8Very low48.6Very low107 Ų107131.3 Ų131.375%0.74872%0.724SS**SBendtrans-127.96.5-173.2510000114.8E722E722-S726 PolarHBondContact O-OG 3.44Å
727G42.2Very low47.9Very low73 Ų73132.3 Ų132.375%0.75374%0.739SS**SBendtrans-120.112.5-162.400000118.8
728E43.7Very low47Very low190 Ų190133 Ų13389%0.88876%0.759SS**  trans-142.8111-170.4-113.3165.9-165.300115.8
729A43.6Very low46.2Very low97 Ų97132.3 Ų132.380%0.80277%0.774SS**  trans63.5148.6153.200000118.3
730P45.3Very low45.3Very low124 Ų124130.2 Ų130.281%0.80579%0.791SS**  cis-127.2145.931.339-23.3000117.1
731H40.7Very low44.6Very low167 Ų167125.8 Ų125.877%0.77380%0.801SS**  trans-69.1165.6154.7-113.8-135.3000110.6
732F38.7Very low43.9Very low201 Ų201120 Ų12088%0.88280%0.8SS**  trans68.990.2176.7-66.5-86.6000117.9
733S41.9Very low43.4Very low125 Ų125119.4 Ų119.487%0.87481%0.81SS**  -142.7152.1124.273.10000110.2
734G37.4Very low42.5Very low74 Ų74118.2 Ų118.276%0.76382%0.816SS**  trans-90.6146.4-171.200000113.7
735S40.6Very low42.1Very low120 Ų120115 Ų11584%0.83981%0.813SS**  trans-52.5134.1167.5174.90000112.7
736T43Very low41.6Very low138 Ų138111.2 Ų111.285%0.84781%0.81SS**  -178.2129.1129.6-72.80000111.2
737G41.9Very low41.4Very low74 Ų74111.9 Ų111.976%0.76381%0.814SS**  trans113.380.414300000121.4
738G39.7Very low41.3Very low86 Ų86115 Ų11589%0.88781%0.814SS**  trans75.5156.3148.500000119.2
739G41Very low41.2Very low81 Ų81114 Ų11484%0.83581%0.814SS**  cis171.5125.7-1000000114.5
740G37.4Very low40.9Very low89 Ų89114.7 Ų114.792%0.91881%0.809SS**  trans78.4151.4178.900000114.5
741G40.5Very low40.4Very low85 Ų85116.7 Ų116.788%0.87681%0.807SS**  cis159.4146.6-4.600000109.3
742G42Very low40.3Very low68 Ų68115.1 Ų115.170%0.70180%0.803SS**  cis-172.9-162.6-0.400000110.8
743S46.3Very low40.2Very low116 Ų116112.4 Ų112.481%0.81180%0.798SS**  trans69.4119.3-179.8-50.30000115.3
744S38Very low39.9Very low108 Ų108112.2 Ų112.276%0.75580%0.797SS**  61.5125.854.3810000113.3
745S43.3Very low40Very low107 Ų107117.2 Ų117.275%0.74880%0.804SS**  cis-145.1138.221.5-62.80000110
746S38.5Very low39.8Very low105 Ų105114.5 Ų114.573%0.73480%0.795SS**  62.9101.369.7-164.80000115.1
747S43.2Very low39.6Very low121 Ų121114.3 Ų114.385%0.84680%0.799SS**  trans-162.6144.9150-80.80000109
748N41.2Very low39.2Very low140 Ų140115.6 Ų115.675%0.74980%0.803SS**  trans-100.1156-163.8-51-61.5000113
749N42Very low39.4Very low167 Ų167119.4 Ų119.489%0.89380%0.801SS**  -163108.5126.7-96.4-20.3000110.2
750T36.8Very low39.3Very low113 Ų113123 Ų12369%0.69380%0.801SS**  trans-81.3147.216641.10000109.9
751H35.2Very low39.4Very low166 Ų166130.1 Ų130.177%0.76980%0.8SS**  173.8150.3113.7-103.9-88.4000114
752I36.9Very low39.3Very low133 Ų133134 Ų13468%0.68280%0.8SS**  trans81.196.1147.6-71.3162.7000118.8
753N37.7Very low39Very low144 Ų144137 Ų13777%0.7781%0.809SS**  trans83.496.5130-629.3000121
754S35.9Very low38.4Very low122 Ų122139 Ų13985%0.85381%0.81SS**  trans-64.5131.7153.6-42.60000112.1
755I38.2Very low38.4Very low179 Ų179139.8 Ų139.892%0.91881%0.811SS**  trans-128.1101.2150.1-60.4-178.6000106.8
756G37.9Very low38.1Very low63 Ų63142.2 Ų142.265%0.64982%0.816SS**  trans-163.8153.2-179.200000111.2
757S37.5Very low38Very low134 Ų134142.1 Ų142.194%0.93782%0.815SS**  trans63.367.2175.4-58.20000116.5
758A34.8Very low37.7Very low101 Ų101142.5 Ų142.584%0.83581%0.812SS**  trans-126.427.4162.600000113.2
759I42.5Very low37.4Very low166 Ų166142.2 Ų142.285%0.85181%0.81SS**  trans-126.776.1176-51.3177.8000109
760N39.2Very low37.1Very low157 Ų157144.8 Ų144.884%0.8481%0.809SS**  trans-16780.3165.5-123.9-12.6000112.2
761R40.5Very low37Very low237 Ų237144.9 Ų144.989%0.89482%0.815SS**SBendtrans-165.3-3.8163.8-131.8171.1-84.2-97.63.2118.3
762L38.4Very low37.2Very low167 Ų167142.6 Ų142.687%0.87481%0.812SS**SBendtrans-120.736.9-174.9-84.188.6000114.2
763C34.3Very low37Very low130 Ų130142.3 Ų142.388%0.87882%0.819SS**SBendtrans-137.542.3179.2-57.40000113.6
764N34.8Very low36.8Very low158 Ų158141.8 Ų141.885%0.84582%0.821SS**  trans-154.276.4174.7-161.713.9000114.9
765T38Very low36.8Very low126 Ų126141.8 Ų141.877%0.77382%0.816SS**  trans-143146.8162.444.90000109.1
766N35.8Very low36.4Very low158 Ų158140.1 Ų140.185%0.84581%0.814SS**  trans70.463.3174-56.6-5.5000116.8
767S38.2Very low36.3Very low103 Ų103141.7 Ų141.772%0.7282%0.815SS**  trans-125107.9139.9-172.40000108.4N769S767-N769 PolarHBondContact O-N 3.45Å
768V35.6Very low36.2Very low129 Ų129140.7 Ų140.778%0.78281%0.808SS**  trans-84.4110.8-179.1-176.40000108.3
769N35.7Very low36.1Very low134 Ų134140.2 Ų140.272%0.71780%0.799SS**  trans-120.6121.5175.2-99.1-46.5000111.1S767 S771S767-N769 PolarHBondContact O-N 3.45Å; N769-S771 PolarHBondContact O-N 2.99Å; N769-S771 VanDerWaalsContact O-N 3.17Å
770Y34.3Very low35.7Very low220 Ų220140.2 Ų140.286%0.86380%0.795SS**  trans-61.3113.7173.8-87-103.7000110.2
771S35Very low35.4Very low116 Ų116140.3 Ų140.381%0.81180%0.796SS**  trans-100.393.2169.4-63.30000109.4N769N769-S771 PolarHBondContact O-N 2.99Å; N769-S771 VanDerWaalsContact O-N 3.17Å
772T40.7Very low34.9Very low117 Ų117133.6 Ų133.672%0.71879%0.79SS**  trans-75.1123.6169.640.80000109.7V774T772-V774 PolarHBondContact O-N 3.32Å
773P32.9Very low34.7Very low128 Ų128131.2 Ų131.283%0.83179%0.788SS**  trans-83.2116.6-179.931.6-32.1000110.4
774V32.9Very low34.5Very low133 Ų133132.9 Ų132.981%0.80679%0.788SS**  trans-122.2124.3170.4-176.10000110.3T772T772-V774 PolarHBondContact O-N 3.32Å
775V36.4Very low34.6Very low122 Ų122133.1 Ų133.174%0.73978%0.784SS**  trans-68.5139.1-173.8173.80000111.7S777V775-S777 PolarHBondContact O-N 3.18Å
776T29.6Very low34.2Very low143 Ų143133.3 Ų133.388%0.87778%0.779SS**  trans-75.6105.5170.552.10000111.3
777S36Very low34.1Very low96 Ų96132.6 Ų132.667%0.67177%0.774SS**  trans-140.787.6169.560.80000112.7V775V775-S777 PolarHBondContact O-N 3.18Å
778S33.8Very low34.1Very low113 Ų113134.7 Ų134.779%0.7978%0.777SS**  trans26.3134.2142.961.20000121.6
779S33.3Very low33.9Very low92 Ų92137.5 Ų137.564%0.64378%0.775SS**  trans99.1139.8138.6-157.20000119.3
780Q35.5Very low34Very low165 Ų165137.5 Ų137.577%0.77178%0.775SS**  trans71.5111.1156.8-75.3154.342.800121.1
781N31.8Very low34.2Very low160 Ų160131.6 Ų131.686%0.85676%0.763SS**  trans62.9133.7139.2-65.8-13000121.2
782A29.2Very low34.3Very low95 Ų95136.2 Ų136.279%0.78576%0.763SS**  trans-79.4143.7168.400000111.9
783S35Very low34.1Very low118 Ų118139.2 Ų139.283%0.82577%0.774SS**  trans-150.3120.2158.1-88.40000108.5
784N30.4Very low34Very low165 Ų165138 Ų13888%0.88277%0.768SS**  trans-83.5116.5173.3-69.7-18.7000109.4
785H36.1Very low34Very low163 Ų163140.6 Ų140.676%0.75577%0.771SS**  trans-149.5112.6167.3-148.8-77.7000106.9
786I30.6Very low33.9Very low130 Ų130142.8 Ų142.867%0.66778%0.777SS**  73120.860.2-75.2179.3000112.7
787L34Very low34Very low143 Ų143141.9 Ų141.975%0.74977%0.771SS**  trans69.4147.5-172.8-47.5-174.3000113.9
788D36.8Very low33.8Very low146 Ų146146.4 Ų146.478%0.78178%0.782SS**  cis-135.7-177.520.1-143.1-20.9000115.4
789Y32.5Very low33.8Very low189 Ų189145 Ų14574%0.74179%0.785SS**  trans-79.4153-163.5-99.6-106.1000118.6P791Y789-P791 HydrophobicContact CD1-CB 3.83Å; Y789-P791 HydrophobicContact CD1-CG 4.14Å; Y789-P791 HydrophobicContact CE1-CB 4.17Å
790D38.3Very low33.7Very low134 Ų134145.3 Ų145.372%0.71779%0.793SS**  trans-135.7109.5138.2-174.3-7.8000110.2R792D790-R792 PolarHBondContact O-N 3.22Å
791P37.7Very low33.4Very low95 Ų95142.2 Ų142.262%0.61780%0.795SS**  trans-95.763.7-173.735.9-31.6000113.5Y789Y789-P791 HydrophobicContact CD1-CB 3.83Å; Y789-P791 HydrophobicContact CD1-CG 4.14Å; Y789-P791 HydrophobicContact CE1-CB 4.17Å
792R37.1Very low33.6Very low214 Ų214141.4 Ų141.481%0.80880%0.796SS**SBendtrans-127.10.7179.8-66.3-156.970.4167.40.3117.7D790D790-R792 PolarHBondContact O-N 3.22Å
793L37.5Very low33.7Very low180 Ų180148.3 Ų148.394%0.94280%0.803SS**SBendtrans-133.844.8-174.7-141.773.7000114.4
794S30.3Very low33.8Very low101 Ų101146.2 Ų146.271%0.70680%0.8SS**  trans-144.974177.865.70000113.8
795H32.2Very low34.1Very low188 Ų188147.9 Ų147.987%0.8780%0.803SS**  trans-130.1151153.8-84.2-81000108.4
796I34.5Very low34Very low169 Ų169147.4 Ų147.487%0.86781%0.806SS**SBendtrans72.460.1-179.9-38.4172000114.9
797T31Very low34.5Very low123 Ų123149.4 Ų149.476%0.75582%0.817SS**SBendtrans-144.5137.2142.849.60000111.1
798H32.1Very low34.5Very low192 Ų192147.8 Ų147.889%0.88982%0.815SS**  trans56.9119168.3-52.6-61.2000120.1
799G34Very low34.4Very low83 Ų83148.6 Ų148.686%0.85682%0.818SS**  trans-170.5101.4163.900000109.6
800A31.5Very low34.6Very low99 Ų99145.7 Ų145.782%0.81882%0.82SS**  trans-100.5140.3-17600000111.8
801A28.9Very low34.3Very low99 Ų99144 Ų14482%0.81881%0.811SS**  trans52.8118.916500000119.1
802V35.8Very low34.3Very low144 Ų144146.4 Ų146.487%0.87382%0.824SS**  -164.5145.3126.71360000108.7
803Y31.4Very low34Very low239 Ų239146.6 Ų146.694%0.93782%0.824SS**  trans-68.5143.8176.4-84.8-115.7000111.9
804G36.8Very low34Very low74 Ų74145.8 Ų145.876%0.76382%0.821SS**  trans-166.4134.1169.900000110.1
805E37.7Very low34Very low200 Ų200147.7 Ų147.794%0.93582%0.823SS**  trans-89163.3-161.1-62.5-175.6126.900115.5
806N33.5Very low34.3Very low153 Ų153150 Ų15082%0.81883%0.826SS**  trans-67159.3176.4-60.4-70.8000113.4
807L40.6Very low34.1Very low172 Ų172146.1 Ų146.190%0.90182%0.819SS**  trans-167116.3137.9-105.9178.6000111.2
808P33.5Very low34.3Very low110 Ų110145.8 Ų145.871%0.71482%0.822SS**  trans-100.6150.5177.236.7-32.1000113.3
809I35.8Very low34.4Very low163 Ų163141.2 Ų141.284%0.83681%0.812SS**  trans-135.9105170-58.2-177.1000112.2
810V36.6Very low34.2Very low128 Ų128144.3 Ų144.378%0.77681%0.808SS**  trans19.3136.7145.2-168.60000121.4
811N31.5Very low34.2Very low98 Ų98146.6 Ų146.652%0.52481%0.812SS.*  trans-46.6160.6171.1-53.5-79.4000117.7F117F117-N811 WeakPolarHBondContact CE2-ND2 3.29Å; F117-N811 WeakPolarHBondContact CZ-ND2 3.49Å
812T38.1Very low34.5Very low146 Ų146146 Ų14690%0.89682%0.816SS**  -150.2137.5124.4-2.20000111.9
813R31.3Very low34.3Very low217 Ų217145 Ų14582%0.81982%0.816SS**  trans-80.4151.8171-74.6173.9161.1113.5-10.7110.4
814N36.8Very low34.5Very low163 Ų163138.4 Ų138.487%0.87281%0.811SS**  trans-165.9120.6133.6-101.9-22.2000111.1
815D31.5Very low34.5Very low141 Ų141138.5 Ų138.575%0.75481%0.811SS**  trans-69.5145.9166.5-52.2-97.7000111
816Y36.7Very low34.3Very low237 Ų237136.1 Ų136.193%0.92981%0.805SS**  trans-155.3123.3140.9-108.7-72.2000110.4
817A31.8Very low34.4Very low88 Ų88135 Ų13573%0.72780%0.804SS**  trans-83.5150.417600000111.7
818S34.8Very low34.1Very low115 Ų115132.5 Ų132.580%0.80480%0.799SS**  trans-173.4106.5140.4-82.30000113.6
819S33.1Very low34.3Very low97 Ų97133.6 Ų133.668%0.67880%0.803SS**  trans30124.7134.563.70000122.5
820N29.5Very low34.6Very low147 Ų147131.4 Ų131.479%0.78680%0.8SS**  72.1147.1128.4-73.92.2000123.3
821T31.9Very low34.5Very low147 Ų147129.3 Ų129.390%0.90280%0.796SS**  trans67.4125.8160.6530000118.8
822G36.1Very low34.7Very low86 Ų86135.3 Ų135.389%0.88781%0.813SS**  trans166.187.2173.400000111.6
823S31.2Very low34.8Very low125 Ų125135.9 Ų135.987%0.87481%0.81SS**  trans-108165.2176.8-172.60000111.2
824A35Very low35Very low100 Ų100133.4 Ų133.483%0.82681%0.807SS**  trans75.5141.4179.800000117
825G38.2Very low35.3Very low75 Ų75130.3 Ų130.377%0.77380%0.796SS**  trans157.164.7-176.900000113.7
826D32.7Very low35.7Very low150 Ų150131.6 Ų131.680%0.80280%0.797SS**  trans-62.6168.8175.1-56.2-97.1000113.9
827V35.5Very low35.4Very low131 Ų131125.4 Ų125.479%0.79478%0.784SS**  156.3132.9119.6163.50000114
828C35Very low35.7Very low119 Ų119130 Ų13080%0.80479%0.791SS**  trans69.1105.3159.2-770000122.9
829T36.6Very low35.5Very low132 Ų132132.1 Ų132.181%0.8179%0.788SS**  trans-85.8157.2135.852.60000111.2
830P42.3Very low35.3Very low118 Ų118132.6 Ų132.677%0.76679%0.79SS**  -142.3141.9104.334.4-19.5000112.7
831A34.2Very low35.8Very low84 Ų84131.2 Ų131.269%0.69479%0.789SS**  75115.354.500000115.3
832Y37.5Very low35.7Very low224 Ų224129.5 Ų129.588%0.87878%0.783SS**  trans-173.7136.6146.4-103.4-54.3000115.7
833L39.1Very low35.7Very low157 Ų157133.9 Ų133.982%0.82278%0.78SS**  trans73.8108.2151.5-57.2179.8000123.9
834H35.7Very low35.8Very low165 Ų165133.4 Ų133.476%0.76477%0.772SS**  trans-85.2-176.1142.9-141-133.8000108.6
835P44.1Very low35.8Very low98 Ų98138.8 Ų138.864%0.63677%0.773SS**  cis-126.1-162.717.539-15.7000113.3
836E38Very low35.7Very low168 Ų168139.3 Ų139.379%0.78576%0.761SS**  cis-164.9115.237-166.8168.3121.200109.7
837V31.8Very low35.7Very low108 Ų108139.9 Ų139.966%0.65576%0.759SS**  55.4111.395.7-176.60000116.6
838Q36.7Very low35.7Very low184 Ų184142.3 Ų142.386%0.8677%0.765SS**  trans-152.6141.5140.1-168.364.3-3.200109.3
839Q31.7Very low35.7Very low159 Ų159141.4 Ų141.474%0.74376%0.756SS**  trans-130.6167-159.3-175.269.31700112.5
840C29.6Very low35.6Very low107 Ų107140.2 Ų140.272%0.72375%0.753SS**  trans96.5147.6159.2-61.40000118.2
841P38.3Very low35.4Very low119 Ų119143.7 Ų143.777%0.77376%0.759SS**  cis-135169.4-3338.1-22.7000113.7
842S30.8Very low35.3Very low111 Ų111148 Ų14878%0.77677%0.765SS**  trans-88.5146.116543.80000111.5
843E36.6Very low35.1Very low177 Ų177145.4 Ų145.483%0.82776%0.761SS**  trans-109.7128.5164.9-71.6-157.2156.600110.9
844T32.6Very low34.9Very low115 Ų115144.3 Ų144.371%0.70675%0.751SS**  trans-121120.3173.2-59.90000108.1T846T844-T846 WeakPolarHBondContact O-CG2 3.1Å
845Y35.4Very low34.9Very low214 Ų214142.7 Ų142.784%0.83976%0.756SS**  trans-115.590.3168.9-109.1-87000108.2
846T36.5Very low34.5Very low86 Ų86145.1 Ų145.153%0.52876%0.758SS.*  65.1102.177.667.60000115.4T844T844-T846 WeakPolarHBondContact O-CG2 3.1Å
847H31.2Very low34.1Very low162 Ų162144.9 Ų144.975%0.7576%0.757SS**  trans23.6121.7145.4-61.1-84.2000120.6
848I36.5Very low34.3Very low181 Ų181146.9 Ų146.993%0.92876%0.763SS**  -122126.4123.7-63.4-175.7000108.4
849T34.8Very low34.2Very low101 Ų101141.3 Ų141.362%0.6275%0.745SS**  trans-102.3158.3-176.3-52.70000110.4
850S34.6Very low34.1Very low106 Ų106141 Ų14174%0.74175%0.746SS**  trans87.5102.9164-42.40000117.6
851Q38.1Very low34.4Very low191 Ų191140.9 Ų140.989%0.89374%0.742SS**  -149.4162.593.9-109.4-172.99400111.8
852Q31.2Very low34Very low174 Ų174141.4 Ų141.481%0.81374%0.739SS**  trans-131.9116.5-158.3176.7-174.659.900110.2
853Q34.8Very low34.2Very low171 Ų171143 Ų14380%0.79974%0.738SS**  trans-153.590.8169.7-120.8131.210500113.2
854Q34.6Very low33.8Very low133 Ų133140.9 Ų140.962%0.62173%0.732SS**  trans35.5112.5144.4-53.2-171.333.700119.8H856Q854-H856 PolarHBondContact O-N 3.04Å; Q854-H856 PolarHBondContact OE1-CE1 3.02Å; Q854-H856 PolarHBondContact OE1-NE2 2.67Å
855P34.3Very low33.9Very low131 Ų131144.8 Ų144.885%0.85174%0.74SS**  trans-73.3110.5152.230.9-30.1000109.1H857P855-H857 PolarHBondContact O-N 3.28Å; P855-H857 VanDerWaalsContact O-N 3.08Å
856H36.4Very low33.8Very low150 Ų150139.4 Ų139.469%0.69473%0.73SS**  trans-75.5100.2179.3-83.8-72.1000112.1Q854 L858Q854-H856 PolarHBondContact O-N 3.04Å; Q854-H856 PolarHBondContact OE1-CE1 3.02Å; Q854-H856 PolarHBondContact OE1-NE2 2.67Å; H856-L858 PolarHBondContact O-N 3.44Å
857H30.5Very low33.6Very low162 Ų162144.3 Ų144.375%0.7574%0.744SS**  trans-55.5122.6164.8160-73.1000111.4P855P855-H857 PolarHBondContact O-N 3.28Å; P855-H857 VanDerWaalsContact O-N 3.08Å
858L35.3Very low33.6Very low150 Ų150144 Ų14479%0.78575%0.748SS**  trans-136.1109.6163-87.1171.3000110.3H856H856-L858 PolarHBondContact O-N 3.44Å
859S34.7Very low33.5Very low68 Ų68139.3 Ų139.348%0.47674%0.735SS.*  trans25.6110.2147.354.80000116.9
860I29.8Very low33.4Very low151 Ų151140.1 Ų140.177%0.77474%0.74SS**  32.38367.8-49.7-178.8000111.7N862I860-N862 HydrophobicContact CG2-CB 4.39Å
861V35Very low33.4Very low106 Ų106141.8 Ų141.864%0.64274%0.741SS**  trans-111.590.4158.6-179.70000107.5N863V861-N863 PolarHBondContact O-N 2.78Å; V861-N863 VanDerWaalsContact O-N 3.11Å
862N30.2Very low33Very low130 Ų130139.9 Ų139.970%0.69574%0.737SS**  trans-84.778.6-176.4-160.313.8000110.1I860 N864I860-N862 HydrophobicContact CG2-CB 4.39Å; N862-N864 VanDerWaalsContact C-N 3.27Å; N862-N864 PolarHBondContact O-N 2.74Å
863N34.5Very low33Very low145 Ų145141 Ų14178%0.77574%0.74SS**  trans-81.765.6-177.1-86.2-10.9000113V861 F865V861-N863 PolarHBondContact O-N 2.78Å; V861-N863 VanDerWaalsContact O-N 3.11Å; N863-F865 PolarHBondContact O-N 2.81Å
864N29.4Very low33Very low131 Ų131137.5 Ų137.570%0.70173%0.734SS**  trans-75.4102.1159.5-90.2-45.8000109.5N862N862-N864 VanDerWaalsContact C-N 3.27Å; N862-N864 PolarHBondContact O-N 2.74Å
865F34.2Very low32.9Very low198 Ų198135.5 Ų135.587%0.86873%0.734SS**  trans-137.871.7166.7-125.9-82.6000113.6N863N863-F865 PolarHBondContact O-N 2.81Å
866T32.9Very low32.9Very low101 Ų101135.5 Ų135.562%0.6273%0.727SS**  trans12.3124145.952.20000120.8
867K32.2Very low32.6Very low188 Ų188134.3 Ų134.382%0.81773%0.726SS**  trans77.2159.4130.9-66.9-177.4176.6-173.60120.1
868N32Very low32.7Very low157 Ų157138.5 Ų138.584%0.8474%0.735SS**  trans76.9133.1173.6-57.3-9.2000115.6
869A34.2Very low32.5Very low81 Ų81138.1 Ų138.167%0.66973%0.729SS**  cis-159.7162.7-14.500000111.1
870T33.1Very low32.3Very low118 Ų118140.7 Ų140.772%0.72475%0.747SS**  trans6.8117.5152.555.70000118.9
871N33.6Very low32.4Very low141 Ų141136.9 Ų136.975%0.75475%0.745SS**  165132.7118.6-82-21.5000114.9
872N29.6Very low32.3Very low151 Ų151137 Ų13781%0.80775%0.751SS**  trans43.1111.1141.6-57.2-0.7000122
873K32Very low32.5Very low199 Ų199137.5 Ų137.587%0.86575%0.752SS**  trans-157.4118.8135.4-108.5173.8-179.6-179.50106.2
874S34.7Very low32.3Very low97 Ų97137.5 Ų137.568%0.67875%0.751SS**  45.8104.159.3-87.40000111.8
875S32.2Very low32.4Very low90 Ų90139 Ų13963%0.62975%0.753SS**  76.2161.86681.70000112.6
876D33.8Very low32.3Very low131 Ų131134.4 Ų134.470%0.70175%0.746SS**  trans79.392.4175.8-44.51.7000112.3
877N31.7Very low32.5Very low125 Ų125135.3 Ų135.367%0.66875%0.751SS**  65.682.464.3-1651.3000113.1H879N877-H879 PolarHBondContact O-N 3.4Å; N877-H879 PolarHBondContact OD1-CE1 2.88Å; N877-H879 PolarHBondContact OD1-ND1 3.29Å
878W31Very low32.4Very low251 Ų251135 Ų13595%0.95175%0.752SS**  trans-86.390.3172.6-86.368.9000111.4
879H31.6Very low32.5Very low141 Ų141133.3 Ų133.365%0.65375%0.753SS**  trans-73.7161.5166.1-91.948.4000112.5N877N877-H879 PolarHBondContact O-N 3.4Å; N877-H879 PolarHBondContact OD1-CE1 2.88Å; N877-H879 PolarHBondContact OD1-ND1 3.29Å
880S30.1Very low32.4Very low122 Ų122135.3 Ų135.385%0.85376%0.757SS**  trans67.896.6155.8-610000118.7
881G33.5Very low32.5Very low72 Ų72138.7 Ų138.774%0.74276%0.764SS**  trans-120.87.4166.100000115.3I883G881-I883 PolarHBondContact O-N 3.37Å
882S31.8Very low32.4Very low109 Ų109137 Ų13776%0.76276%0.764SS**  trans-75.591.5-179.9-172.10000111.1I884S882-I884 PolarHBondContact O-N 3.48Å; S882-I884 VanDerWaalsContact O-N 3.11Å
883I34.3Very low32.8Very low140 Ų140137.2 Ų137.272%0.71876%0.764SS**  trans-78.994.3175.1-60.5-177000109.2G881 Q885G881-I883 PolarHBondContact O-N 3.37Å; I883-Q885 HydrophobicContact CG2-CG 3.99Å; I883-Q885 PolarHBondContact O-N 3.23Å
884I30.6Very low33Very low145 Ų145132.7 Ų132.774%0.74475%0.753SS**  trans-69.294163.7-62.4175000108.3S882 S886S882-I884 PolarHBondContact O-N 3.48Å; S882-I884 VanDerWaalsContact O-N 3.11Å; I884-S886 PolarHBondContact O-N 2.93Å; I884-S886 VanDerWaalsContact O-N 3.15Å
885Q32.2Very low33.1Very low161 Ų161134.4 Ų134.475%0.75276%0.755SS**  trans-82.268.9159.1-81.9-173.213.100110.1I883 V887I883-Q885 HydrophobicContact CG2-CG 3.99Å; I883-Q885 PolarHBondContact O-N 3.23Å; Q885-V887 HydrophobicContact CB-CG2 4.34Å; Q885-V887 PolarHBondContact O-N 2.92Å
886S32.4Very low33.3Very low103 Ų103137.5 Ų137.572%0.7276%0.764SS**  trans-75.582.4159.6-170.70000108I884 Q888I884-S886 PolarHBondContact O-N 2.93Å; I884-S886 VanDerWaalsContact O-N 3.15Å; S886-Q888 PolarHBondContact O-N 3.02Å
887V37.1Very low33.3Very low119 Ų119134.8 Ų134.872%0.72176%0.756SS**  trans-70.3126.5173.8-1590000107.8Q885 S889Q885-V887 HydrophobicContact CB-CG2 4.34Å; Q885-V887 PolarHBondContact O-N 2.92Å; V887-S889 PolarHBondContact O-N 3.36Å
888Q30.1Very low33.6Very low181 Ų181137.5 Ų137.585%0.84676%0.764SS**  trans-63.2128.2-173-67.2169.5-20.100111.6S886S886-Q888 PolarHBondContact O-N 3.02Å
889S33.9Very low33.7Very low122 Ų122134.8 Ų134.885%0.85375%0.754SS**  trans-148.3122.6159.1-79.60000109.7V887V887-S889 PolarHBondContact O-N 3.36Å
890T32.4Very low33.8Very low123 Ų123136.8 Ų136.876%0.75576%0.761SS**  trans-92.3119.3-163.749.70000113
891H35.1Very low34.2Very low189 Ų189137.9 Ų137.988%0.87575%0.753SS**  trans-159.3101.5149.6-72.2-59.8000106.1
892S30.8Very low34.3Very low106 Ų106141.7 Ų141.774%0.74176%0.756SS**  69.5142.267.8-162.20000113.6
893L37.1Very low34.7Very low156 Ų156144.8 Ų144.882%0.81776%0.762SS**  trans80.6137.5-170.3-51.8171.1000115.8
894T37.8Very low34.7Very low104 Ų104141.2 Ų141.264%0.63876%0.76SS**  cis-178.8147.2-47.425.50000109.6
895N34.9Very low34.8Very low132 Ų132143.5 Ų143.571%0.70677%0.77SS**  trans56.6108.6152.8-53.5-14.4000117.7
896N36.4Very low35Very low155 Ų155142.3 Ų142.383%0.82977%0.774SS**  177.4171.971.3-84.4-51.4000110
897S33.9Very low35.1Very low75 Ų75142.6 Ų142.652%0.52478%0.776SS.*  cis168.3135-35.7-177.40000107.7
898Q38.3Very low35.2Very low182 Ų182146.1 Ų146.185%0.8578%0.784SS**  trans67.7155.2170.7-59.6148.519.700115.3
899R34.6Very low35.6Very low193 Ų193145.3 Ų145.373%0.72879%0.785SS**  cis-145.6146.68-159.4178.1161.9-143.4-7.6111.9E901R899-E901 IonicContact CZ-OE1 2.79Å; R899-E901 IonicContact CZ-OE2 3.39Å; R899-E901 IonicContact NE-OE1 3.66Å; R899-E901 IonicContact NH1-OE2 3.78Å; R899-E901 IonicContact NH2-OE1 2.67Å; R899-E901 PolarHBondContact NH2-OE1 3.28Å; R899-E901 IonicContact NH2-OE2 2.71Å; R899-E901 PolarHBondContact NH2-OE2 3.09Å
900F32.4Very low35.9Very low183 Ų183145 Ų14580%0.80378%0.784SS**  trans-85.6155.5165.9-91.5-107.2000111.3
901E38.5Very low36.1Very low145 Ų145143 Ų14368%0.67879%0.786SS**  trans-162.5136.8136.1-124.1133.2-119.400112.3R899R899-E901 IonicContact CZ-OE1 2.79Å; R899-E901 IonicContact CZ-OE2 3.39Å; R899-E901 IonicContact NE-OE1 3.66Å; R899-E901 IonicContact NH1-OE2 3.78Å; R899-E901 IonicContact NH2-OE1 2.67Å; R899-E901 PolarHBondContact NH2-OE1 3.28Å; R899-E901 IonicContact NH2-OE2 2.71Å; R899-E901 PolarHBondContact NH2-OE2 3.09Å
902N36.4Very low36.2Very low152 Ų152142.2 Ų142.281%0.81378%0.784SS**  trans-113.3120.3178.6-87.25.6000110.7
903I39.4Very low36.7Very low175 Ų175145.6 Ų145.690%0.89779%0.788SS**  trans-150.8143.2162.1-52.9-179.7000105.6
904G35.4Very low37.4Very low65 Ų65147.9 Ų147.967%0.6779%0.787SS**  cis166152.2-0.600000107.9
905M31.1Very low37.9Very low193 Ų193149.5 Ų149.595%0.95179%0.792SS**  trans-98.6135.9-160.2-39.9-165.990.300113.9
906T36.6Very low38.5Very low136 Ų136150.5 Ų150.583%0.83480%0.797SS**  trans-143.2124.7162.751.30000110.3
907S35.3Very low39.3Very low109 Ų109150.7 Ų150.776%0.76280%0.798SS**  trans-93.3141.8175.749.60000111.8
908H39.7Very low40.1Very low192 Ų192154.1 Ų154.189%0.88981%0.81SS**  trans-134.9143154.5-85.3-82.7000108.3
909N37.5Very low40.7Very low164 Ų164154.3 Ų154.388%0.87781%0.811SS**  trans-138.8104.8-164.3-169.952.4000110.6
910S40.8Very low41.4Very low117 Ų117152.2 Ų152.282%0.81881%0.814SS**  trans-171.7132.8170.950.50000106.9
911G35.4Very low42.5Very low79 Ų79152.6 Ų152.681%0.81482%0.819SS**  cis127.360.17.500000110
912E38.8Very low43.2Very low174 Ų174153.1 Ų153.181%0.81383%0.826SS**  trans-125.3132.7168.7-84.9168.2-175.900106.8Y914E912-Y914 HydrophobicContact CB-CE2 4.35Å
913E40.5Very low43.8Very low177 Ų177153.4 Ų153.483%0.82783%0.828SS**  trans-121.2124.9-170.2-173.3165-135.800104.1
914Y51.2Low44.7Very low204 Ų204154.7 Ų154.780%0.883%0.83SS**  trans-123.7112179.3-83-80.4000106.5E912E912-Y914 HydrophobicContact CB-CE2 4.35Å
915D49.2Very low45.3Very low138 Ų138158.5 Ų158.574%0.73884%0.835SS**  trans-69.2161.1-178.5-59.7-78000111.7
916D47.8Very low46.2Very low153 Ų153156.6 Ų156.682%0.81883%0.829SS**  trans-75.6123.6170.9-55.8-75.9000110
917D52Low46.9Very low158 Ų158156.5 Ų156.585%0.84583%0.827SS**  trans-96.493.7165.4-78.1-49.6000108.4E919D917-E919 PolarHBondContact O-N 3.37Å
918D50.8Low47.4Very low147 Ų147160 Ų16079%0.78683%0.832SS**  trans-73.9109.1165.4-76.8-51.5000108.7D920D918-D920 PolarHBondContact O-N 2.92Å
919E51.5Low47.5Very low186 Ų186155.5 Ų155.587%0.86982%0.822SS**  trans-83.292.3174.4-70.7-171.1146.500110.8D917 E921D917-E919 PolarHBondContact O-N 3.37Å; E919-E921 PolarHBondContact O-N 2.96Å
920D48.5Very low48.1Very low149 Ų149153.2 Ų153.280%0.79782%0.818SS**  trans-67.1106.2163.7-73.5-46.7000109.7D918 D922D918-D920 PolarHBondContact O-N 2.92Å; D920-D922 PolarHBondContact O-N 3Å
921E55.3Low48.5Very low191 Ų191156.7 Ų156.789%0.89382%0.822SS**  trans-83.698.5165.4-72.9-165.2139.500109.9E919E919-E921 PolarHBondContact O-N 2.96Å
922D53.4Low48.9Very low156 Ų156160 Ų16083%0.83482%0.821SS**  trans-62.5143174-86-48.3000112.6D920D920-D922 PolarHBondContact O-N 3Å
923D48.9Very low49.2Very low158 Ų158157.4 Ų157.485%0.84581%0.809SS**  trans-68.6125174.3-58.8-73.5000112.5
924E59.6Low49.4Very low203 Ų203155.2 Ų155.295%0.94981%0.808SS**  trans-114.995.5158.6-74.9-149.1160.900111.6
925D48.2Very low49Very low144 Ų144153.4 Ų153.477%0.7780%0.804SS**  trans-73.3151.1166.1-88.1-40.8000112.3
926D48.4Very low48.6Very low154 Ų154152.9 Ų152.982%0.82481%0.808SS**  trans58.7131.8166.9-68.2-31.2000117
927V51.3Low48.2Very low133 Ų133150.8 Ų150.881%0.80681%0.805SS**  -153.8134.458.5173.90000111.5
928E46.2Very low47.6Very low184 Ų184150.1 Ų150.186%0.8681%0.807SS**  trans-75.6129.8171.3178.2-176.7-139.500112.9
929S42.6Very low47.1Very low96 Ų96149.2 Ų149.267%0.67181%0.806SS**  trans174.6131.1139.6380000115.5
930S49.3Very low46.5Very low116 Ų116151.8 Ų151.881%0.81181%0.808SS**  trans65.2154164.7720000117
931E50.1Low45.9Very low190 Ų190149.8 Ų149.889%0.88881%0.806SS**  cis-124.1165.911.4-66.1179.1139.800112.5
932D43.7Very low45.1Very low150 Ų150148.4 Ų148.480%0.80280%0.803SS**  trans-97.3164-168.8-163.811000114.2
933E44.4Very low44.4Very low119 Ų119148.3 Ų148.356%0.55680%0.802SS**  trans15.9131.9170.7-75.9-118.8118.900119.6K935E933-K935 IonicContact OE1-NZ 3.88Å; E933-K935 PolarHBondContact OE1-NZ 3.39Å
934T44.7Very low44Very low130 Ų130150.2 Ų150.280%0.79880%0.802SS**  -164.615372.917.10000114.1
935K43.8Very low43Very low166 Ų166144.5 Ų144.572%0.72279%0.785SS**  trans-73.2151.3-176-67.8171-176.187.40114.1E933E933-K935 IonicContact OE1-NZ 3.88Å; E933-K935 PolarHBondContact OE1-NZ 3.39Å
936P39.4Very low42.6Very low128 Ų128144.3 Ų144.383%0.83178%0.784SS**  trans-73.9144.2174.731.6-35.6000112.2
937S40.1Very low42.4Very low108 Ų108144.9 Ų144.976%0.75579%0.785SS**  trans-143117.3167.2-172.10000111.5
938V39.9Very low42Very low144 Ų144145.9 Ų145.987%0.87379%0.786SS**  trans-93.5106.6-178.5177.80000109.7
939V39.4Very low41.7Very low129 Ų129145.1 Ų145.178%0.78279%0.788SS**  trans-124.7127.2171.3-176.70000110
940R38.7Very low41.7Very low239 Ų239147.1 Ų147.190%0.90279%0.791SS**  trans-75.9136.6177.9-78.1178.2168.7160.3-3.6111.4
941S36.5Very low41.2Very low108 Ų108147 Ų14776%0.75578%0.781SS**  trans-74.3156.617654.10000113.6
942I39.4Very low40.5Very low161 Ų161147.8 Ų147.883%0.82678%0.776SS**  trans-159.9111.2144.3-104.1151000111.9
943L37.1Very low40.2Very low155 Ų155149 Ų14981%0.81278%0.776SS**  trans39.3116.3143.3-52.5173.7000121.9
944K40.5Very low40Very low197 Ų197149 Ų14986%0.85779%0.79SS**  -152168103.3-150.158.2179.6173.80111.9
945S38.5Very low39.9Very low84 Ų84148.6 Ų148.659%0.58779%0.787SS**  trans-85.3174.6-17654.30000111.3
946D41.2Very low39.9Very low139 Ų139148.9 Ų148.974%0.74379%0.79SS**  cis-142.6157.229.5-47.7-61.3000114
947I43.4Very low40Very low167 Ų167151.5 Ų151.586%0.85679%0.791SS**  trans-167.5133.9148.9-102.1155.6000108.6
948D44.2Very low40Very low153 Ų153152.3 Ų152.382%0.81880%0.797SS**  trans-88.2130175.9-60.7-78.6000112.4
949N39.4Very low40.2Very low168 Ų168151.5 Ų151.590%0.89880%0.798SS**  trans-161.1169.9138.2-126.3-69.4000113.8
950D42.9Very low40.6Very low139 Ų139151.6 Ų151.674%0.74380%0.799SS**  trans-94.6165.8-153.1-114.6-48.8000117.4
951N37.7Very low40.8Very low112 Ų112145.7 Ų145.760%0.59979%0.794SS**  trans75.398.9161.8-76.7-65000122
952R36.3Very low41.1Very low207 Ų207146.6 Ų146.678%0.78180%0.795SS**  89107125.6-64.9172.8-166.9-130.1-3.4121.4
953H36.9Very low41.4Very low175 Ų175150.6 Ų150.681%0.8180%0.799SS**  trans87.163.3137.5-63.60.3000118.8
954S40.1Very low42Very low119 Ų119148.4 Ų148.483%0.83280%0.795SS**  trans-165.2151.3155-85.80000111.6
955V43.6Very low42.1Very low123 Ų123147 Ų14775%0.74579%0.791SS**  cis-160151.2-26.7960000111
956H43.3Very low42.4Very low171 Ų171149.3 Ų149.379%0.79280%0.797SS**  trans61.7156.2168-95.3-103.3000122.4
957H41.7Very low42.6Very low184 Ų184148.1 Ų148.185%0.85280%0.8SS**  trans-112.3152167.9-56.1-71.9000110.4
958S38.8Very low42.6Very low124 Ų124148.2 Ų148.287%0.86780%0.802SS**  trans-112.7146.2178.4-620000112.4
959S45.2Very low42.7Very low128 Ų128146.8 Ų146.890%0.89580%0.804SS**  trans-87.3162.1-176.6-64.20000113.8
960T46.8Very low43.2Very low130 Ų130142.3 Ų142.380%0.79880%0.797SS**  trans-107.2167.5-176.643.50000113.5
961S44Very low43.1Very low115 Ų115145.2 Ų145.280%0.80483%0.828SS**  trans69.7153.4167.7-700000118
962V43.3Very low43.4Very low128 Ų128146.9 Ų146.978%0.77684%0.84SS**  cis174115.2-35.41350000105.3
963R45.1Very low43.8Very low244 Ų244143.7 Ų143.792%0.92184%0.843SS**  trans40.6162.7146.7-84.9-162.8152.6-167-6.8123.2
964P50Low44.1Very low110 Ų110142 Ų14271%0.71485%0.845SS**  trans-119.9-172.4-15545.4-34.7000113.9
965E41.9Very low44.4Very low168 Ų168143.4 Ų143.479%0.78585%0.846SS**  trans-161.3162140.7-120.5-174.8-128.900114.3
966N45.2Very low44.4Very low131 Ų131144.6 Ų144.670%0.70185%0.852SS**  trans28.1136.4151.5-72.1-48.2000120.9
967S45.7Very low44.5Very low115 Ų115142.9 Ų142.980%0.80486%0.856SS**  -177.1166.66337.50000113.9
968N43.9Very low44.7Very low169 Ų169139.9 Ų139.990%0.90486%0.856SS**  trans-81.7132.7178.4-86.8-11.9000114.3
969S44.8Very low45.2Very low123 Ų123141.2 Ų141.286%0.8686%0.855SS**  trans-171.6155.2141.849.30000108.8
970G50Low45.2Very low73 Ų73142.3 Ų142.375%0.75385%0.852SS**  cis149.367.50.200000111.6
971S41.5Very low45Very low201 Ų201143.4 Ų143.4100%1.40686%0.857SS**  trans-154.90172.5-67.10000109.1

Retrieved 971 of 971 residues in 451.2 ms (Link to these results)