A0A5K4F2I7_SCHMA Loading...

Collagen IV NC1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2I7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,791 aa.

>A0A5K4F2I7_SCHMA|A0A5K4F2I7
MHILLLSGQKQANSIDLQYISAKLLTFIFLVTFITFNGIPFAQSQFRRDIDCSIRCDYNFCRCFGPQGPQGDPGPRGPPGSIGPKGYPGEQGPPGLRGMKGDPGRDGADGPVGERGPSGDFGPPGMHGEHGESGETGEKGAKGIAGCPGGKGDPGEKGEPGRQGMDGDRGLPGIDGERGDPGESGFGRRGLPGPKGEPGNVGPKGDDGIQGERGDPGLPGLEGDRGEDGDFGVPGEAGEPGESIIDTYTPVKGAPGSPGDPGDPGRNCSVTTLEQGRKALIGPPGDRGDTGPKGYPGSKGAKGIRGIDGTIGLPGVKGLPGPDGPLGPKGIKGSAGQPGVKGGQGRDGLIGDRGPPGPKGLPGDPGADGLRGFVGDPGEPGGTTECTGILPGRPGQRGIPGEPGEKGFPGIPGSIGDRGLKGLVGPQGPVGDPGFDCPIGPPGPPGPKGSPGDDGRTGLPGLPGSPGDDGLPGDKGEPGIGHRGAPGDPGDRGYDGPQGPKGPKGLKGERGLPGTKGSGRPGPPGEKGERGLDGLAGKHGKQGPMGPQGEPGERCSLCRPGIPGAKGEKGDIGPAGLPGPRGRDGAKGERGSRGAPGNQGRTGSQGYEGDQGEHGLPGPKGFKGEPGETRTEYTGILKGPKGYPGVDGVKGDKGIKGIIGSPGEKGDRGLEGPQGDPGLRGLPGQKGPKGILGEKGYKGATAEVRFGDKGEKGQPGRPGLKGELGDSGEPGNCTVNVIQSRNLTVEKGDRGPKGEPGPRGDKGKPGDEGPPGQPGDSGIRGEKGLPGIPGPAGIKGIVGEPGDPGEQGSPGVSGAAGVTGVKGDVGDIGPVGDRGYPGPKGEKGLPGQPGAGIPGERGEPGRPGIPGPKGSQGDPGIIGDSGDPGLDGRPGLAGERGDIGPPGLQGDPGPSGGAGIKGIIGDPGDSGEPGLPGRPGIPGDKGRCLGAADKGEPGPPGPEGPEGQKGEPGLRGAKGERGPSGPIGRPGEKGLTGEPGLPGPDGPSGDTGPPGRPGTTGPKGFEGTTGPKGFEGPPGGPGDEGQPGPKGEPGIPGADSFGEKGDTGERGPPGDVGEKGSTGKPGLRGPPGDAGTNGQAVVGDVGDTGDVGEKGLPGMPGDPGLPGPKGSPGVTGLIGPKGIVGDPGVPGLQGRPGKPGQEGPPGLLGPKGFPGGKGQKGIKGERGEPGETIVGRDGEPGDMGERGIPGLPGPKGDRGFPGDAGPKGLRGLPGRVGDKGQTGVSGDKGEPGITGNDGYPGRKGDKGESGDIGPIGDPGPRGQPGPKGFPGAPGQCLPAEESPIGDPGPQGPRGPPGEKGLTGLPGKVGKTGDPGPPGRGIPGSKGQRGDPGLRGLTGPKGEQGEAGDPGDMALPGAKGQRGYPGIKGEKGEPGIPGDIGPRGPIGDPGPTGDVGLPGDDGRPGLLGPRGDKGDTGWPGTVGMKGEIGDVGDPGPIGIPGIPGEDVIGLPGVKGEKGEPGKPGQKGMIGEPAPRGLKGAKGEMGLPGPTGREPGEPGPKGDPGLKGIPGDIGPRGMPGDVGPPGPEGFSGPPGQALQSTYLFTRHFQNPDTEPVCPPGSQKISDGYSFVMANGNGELVTMDLGSHSSCLSMFSIMPFFQCLRDGSCQLGVRADRSYWLATTEPLPMMPLNVSEVHRRVARCVVCEAPTQPYAFHAQANQLQEVNCPEGWARLWDGYSFVMHSVGSTGGGQQLSSPGSCLEYFSYSPLLECNNGMSLCNYWSDAKAYYLRHVSNNTEFQKPVSQYITDHLPDETKVLREISRCRVCTKSRFQSYFV
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.3Very low35.1Very low237 Ų237152.7 Ų152.7100%1.16780%0.801SS**  0110.10-62.5167.9-178.900105.4
2H32.2Very low35.1Very low176 Ų176145.7 Ų145.782%0.81578%0.781SS**  cis61.7122.728.6-100.9-60.8000114.3
3I38Very low35.3Very low139 Ų139146.2 Ų146.271%0.71378%0.783SS**  trans88.488.8144.5-67.7168.5000117.9
4L36.5Very low35.5Very low141 Ų141142.6 Ų142.674%0.73878%0.776SS**  110145.7107.4-93.7-170.7000122.6
5L35.9Very low35.5Very low136 Ų136143.1 Ų143.171%0.71278%0.775SS**  trans72.8117.3164.4-58.4166.9000116.7
6L35.5Very low35.6Very low153 Ų153142.8 Ų142.880%0.80177%0.773SS**  74137.857.4-66.3-169.5000112.9
7S34Very low35.2Very low113 Ų113142.4 Ų142.479%0.7977%0.769SS**  cis-170.9156.2-1.544.50000112.9
8G36.9Very low35Very low70 Ų70143.6 Ų143.672%0.72277%0.769SS**  trans145.787.3165.900000112.5
9Q35.4Very low34.9Very low164 Ų164148 Ų14877%0.76678%0.775SS**  54131.383.4-74.2-157.3-15.600114.7
10K35.2Very low34.9Very low182 Ų182148.8 Ų148.879%0.79178%0.779SS**  cis-131.3148.914.8-52.6169.6-176.41750109.1
11Q32.8Very low35.1Very low169 Ų169147.6 Ų147.679%0.7978%0.783SS**  58.6136.252-85-168.9-23.200114.6
12A36.1Very low35.5Very low68 Ų68140.4 Ų140.456%0.56276%0.761SS**  cis-151.5157.8-7.500000108.5
13N37Very low36Very low152 Ų152140.6 Ų140.681%0.81376%0.759SS**  176.3168.479.4-83.7-71.5000108.7
14S37.6Very low36.1Very low97 Ų97140.4 Ų140.468%0.67876%0.759SS**  cis-175.2-179.4-27.8-166.30000108.4
15I36.8Very low36.6Very low150 Ų150140.6 Ų140.677%0.76976%0.76SS**  trans71.599171.3-55.7168.7000114.2
16D36Very low37.2Very low138 Ų138139.3 Ų139.374%0.73876%0.758SS**  67.8136.365.8-84.6-1000114.9
17L29.3Very low37.6Very low136 Ų136139.8 Ų139.871%0.71275%0.754SS**  cis-158.8173.7-7.3-170.661.8000108.7
18Q30.8Very low38.3Very low163 Ų163139.6 Ų139.676%0.76274%0.743SS**  trans70.194.9165.1-48.5-178.94.800117.9
19Y34.1Very low38.8Very low228 Ų228144.7 Ų144.789%0.89475%0.746SS**  -171.111.4127.9-125.2-89.2000117.1
20I35Very low39.2Very low164 Ų164144.4 Ų144.484%0.84175%0.748SS**  trans-109.880.3-179.9-51.3-176.6000111.4
21S38.5Very low39.6Very low124 Ų124141.1 Ų141.187%0.86774%0.744SS**SBendtrans-136.247.1175.1-176.90000111.7
22A42.7Very low40Very low85 Ų85138.2 Ų138.270%0.70274%0.738SS**SBendtrans-150.8-22.9-179.100000115.8
23K42.3Very low40.2Very low181 Ų181144 Ų14479%0.78775%0.75SS**SBendtrans-108.74.7-170.7-73.1-164.3172-169.90116.3
24L40.2Very low40.3Very low134 Ų134144.3 Ų144.370%0.70275%0.75SS**SBendtrans-94.8-21.8178.7-164.161.8000113.4
25L46.6Very low40Very low145 Ų145145.9 Ų145.976%0.75976%0.756SS**SBendtrans-78.4-32.5-177.6-119.469.9000113.6F27L25-F27 VanDerWaalsContact C-N 3.33Å; L25-F27 PolarHBondContact O-N 3.44Å
26T48Very low40.2Very low110 Ų110148 Ų14868%0.67576%0.76SS**THydrogen-bonded Turntrans-76.3-15.2-178.321.70000114.3
27F44.3Very low40.4Very low162 Ų162149.1 Ų149.171%0.71177%0.766SS**THydrogen-bonded Turntrans-86.8-16.5178.1-141.1-97.1000113.3L25L25-F27 VanDerWaalsContact C-N 3.33Å; L25-F27 PolarHBondContact O-N 3.44Å
28I49.9Very low40.7Very low110 Ų110145.6 Ų145.656%0.56476%0.762SS**THydrogen-bonded Turntrans-87-20.5-176.1-65.3173.2000112
29F46.2Very low41Very low177 Ų177146 Ų14678%0.77677%0.768SS**SBendtrans-87.1-9-179.7-105.3-83.8000115.4
30L44Very low41.4Very low157 Ų157140 Ų14082%0.82276%0.757SS**SBendtrans-100.4-10.6-176.3-136.979.7000114.5
31V42.9Very low41.3Very low114 Ų114141.8 Ų141.869%0.69176%0.759SS**SBendtrans-101.8-3.4-170.8-173.80000112.4
32T42.1Very low41.1Very low108 Ų108139.9 Ų139.966%0.66375%0.75SS**SBendtrans-108.611.1-169.238.30000115.2
33F41Very low40.7Very low190 Ų190144.8 Ų144.883%0.83376%0.759SS**SBendtrans-1230.5-172.1-118.1-83.2000117.6
34I37.5Very low40.1Very low157 Ų157141.1 Ų141.181%0.80576%0.756SS**SBendtrans-133.986.8175.4-51.7-179.6000111
35T32.1Very low39.6Very low131 Ų131141.9 Ų141.980%0.80476%0.756SS**  trans177.783.3146.122.80000109.9
36F40.3Very low38.9Very low195 Ų195142.9 Ų142.986%0.85575%0.754SS**  trans-171.8146145.9-109-67.3000112.2
37N39.9Very low38Very low160 Ų160148.4 Ų148.486%0.85676%0.763SS**  trans77.1136.6177.1-51-57.3000116.6
38G36.6Very low37.2Very low62 Ų62150.6 Ų150.664%0.63977%0.766SS**  trans-154154.8170.400000111.1
39I36.9Very low36.3Very low173 Ų173150.6 Ų150.689%0.88777%0.768SS**  trans58.9155.6163.434.7175.9000118.8
40P42.1Very low35.7Very low100 Ų100150.3 Ų150.365%0.64977%0.772SS**  cis-135.7177.9-937.4-19000117
41F34.4Very low35.2Very low203 Ų203149.1 Ų149.189%0.8977%0.767SS**  trans80.8124.3147.7-89.2-67000123.2
42A32.5Very low34.7Very low83 Ų83148.9 Ų148.969%0.68677%0.769SS**  trans112.1113.4130.300000120.8
43Q34.7Very low34.4Very low189 Ų189147.7 Ų147.788%0.88377%0.765SS**  trans70.3117.2146.5-64.6-172.8-64.100122.6
44S29.8Very low34Very low103 Ų103146.4 Ų146.472%0.7277%0.765SS**  trans73.7134.1131.2-151.90000118.6
45Q30.8Very low33.6Very low150 Ų150149.9 Ų149.970%0.70177%0.768SS**  cis-163157.81.4-132.7176.516.900109.8
46F30.9Very low33.8Very low166 Ų166148.5 Ų148.573%0.72876%0.762SS**  trans58.1124.2170.8-64.9-69000115.5
47R28.4Very low33.5Very low227 Ų227146.1 Ų146.186%0.85776%0.759SS**  cis-149.7-166.919.8-93.3146.5-178.4165.9-0.2107.4
48R28.3Very low33.2Very low207 Ų207148.6 Ų148.678%0.78176%0.758SS**  cis-148.4-154.19.1-146.9-167.3132.7160-11.1110
49D31Very low33Very low111 Ų111151.9 Ų151.959%0.59476%0.76SS**  trans-49150.4-179.5-45.7-14.6000116.9
50I33.5Very low32.9Very low170 Ų170147.2 Ų147.287%0.87273%0.734SS**  trans-100.1109.7161-64.7176000107.8
51D33.1Very low32.8Very low133 Ų133146.9 Ų146.971%0.71173%0.733SS**  trans-95.6124.8172.8-174.913.8000110S53D51-S53 PolarHBondContact O-N 3.43Å; D51-S53 PolarHBondContact O-OG 3.43Å
52C32.8Very low33Very low108 Ų108144.1 Ų144.173%0.7372%0.716SS**  trans-8565.4-173.8-165.80000111I54C52-I54 PolarHBondContact O-N 3.39Å
53S35.5Very low33.1Very low83 Ų83145.5 Ų145.558%0.5872%0.72SS**  trans-78.9102.6-166.136.90000114.3D51D51-S53 PolarHBondContact O-N 3.43Å; D51-S53 PolarHBondContact O-OG 3.43Å
54I32.7Very low33.2Very low163 Ų163144.9 Ų144.984%0.83672%0.715SS**  trans40.388138.2-46.1176.4000116.5C52C52-I54 PolarHBondContact O-N 3.39Å
55R29.5Very low33.7Very low231 Ų231143.2 Ų143.287%0.87271%0.713SS**  trans-161.2105.4133.3-115.1178.8-176.9-167.7-0110.7
56C36.4Very low34Very low101 Ų101142.3 Ų142.368%0.68272%0.72SS**  trans-131.8120.6169.1-58.80000107.1
57D32.8Very low34.2Very low146 Ų146144 Ų14478%0.78173%0.73SS**  trans-104.7174.4168.1-140.7-41000109.1N59D57-N59 PolarHBondContact O-N 3.47Å
58Y34.5Very low34.8Very low212 Ų212136 Ų13683%0.83172%0.719SS**SBendtrans-56.9134.3-164.6-84-101.7000114.3
59N32.9Very low35.2Very low130 Ų130132.4 Ų132.470%0.69572%0.722SS**SBendtrans74.490.6178-54.8-32.9000116.6D57D57-N59 PolarHBondContact O-N 3.47Å
60F33.7Very low35.7Very low76 Ų76136.3 Ų136.333%0.33374%0.737SS.*  trans87.5116.6164.2-58.2-75.9000119.7N732 C733 T734F60-N732 HydrophobicContact CE1-CB 3.65Å; F60-N732 VanDerWaalsContact CE1-CG 3.46Å; F60-N732 HydrophobicContact CZ-CB 4Å; F60-N732 WeakPolarHBondContact CZ-ND2 3.43Å; F60-N732 WeakPolarHBondContact CZ-OD1 3.45Å; F60-C733 HydrophobicContact CD1-CB 4.32Å; F60-T734 HydrophobicContact CD2-CG2 3.48Å; F60-T734 VanDerWaalsContact CD2-CG2 3.48Å; F60-T734 WeakPolarHBondContact CD2-OG1 3.23Å; F60-T734 HydrophobicContact CE2-CG2 3.49Å; F60-T734 VanDerWaalsContact CE2-CG2 3.49Å
61C41.4Very low36.1Very low92 Ų92131.3 Ų131.362%0.62273%0.727SS**  trans-142.7136.5148.1-85.80000108.5
62R36.8Very low36.2Very low145 Ų145132.5 Ų132.555%0.54773%0.734SS.*  trans-141.3103.1179-161.2178.7-163.9168.34.3109.8F64 G731 N732R62-F64 HydrophobicContact CG-CE2 4.08Å; R62-F64 HydrophobicContact CG-CZ 4.41Å; R62-G731 PolarHBondContact NH1-O 3.46Å; R62-N732 PolarHBondContact NH1-O 3.36Å
63C36.6Very low36.8Very low113 Ų113133.6 Ų133.676%0.76474%0.739SS**  trans-85126.7-179.6-68.70000111
64F35.4Very low37.2Very low176 Ų176132.8 Ų132.877%0.77274%0.744SS**  trans-105.6102.7170.6-74.7-82.8000110R62R62-F64 HydrophobicContact CG-CE2 4.08Å; R62-F64 HydrophobicContact CG-CZ 4.41Å
65G41Very low37.5Very low67 Ų67131.2 Ų131.269%0.69175%0.745SS**  trans-81.7150.2167.400000111.6
66P36.7Very low38.1Very low131 Ų131132.1 Ų132.185%0.85175%0.748SS**  trans-72.4148.7-177.730.1-35.3000112.7G68P66-G68 PolarHBondContact O-N 3.16Å
67Q36.1Very low38.5Very low201 Ų201130 Ų13094%0.93974%0.743SS**  trans-68.9114.5179.3-169.2173.222.300111.3
68G41.2Very low38.9Very low59 Ų59128.8 Ų128.861%0.60874%0.743SS**PPolyproline II helixtrans-76.1160.8175.800000113.5P66P66-G68 PolarHBondContact O-N 3.16Å
69P36.3Very low39.8Very low132 Ų132125 Ų12586%0.85774%0.744SS**PPolyproline II helixtrans-73.4153.2-178.931.3-35.5000112.8G71P69-G71 PolarHBondContact O-N 3.27Å
70Q40.1Very low40.4Very low194 Ų194122 Ų12291%0.90775%0.745SS**PPolyproline II helixtrans-62.3127.5173.5-180178.2-5.100111.1
71G43.2Very low40.8Very low64 Ų64124.1 Ų124.166%0.6677%0.769SS**PPolyproline II helixtrans-88.5159.1173.800000113.3P69P69-G71 PolarHBondContact O-N 3.27Å
72D34.6Very low41.3Very low159 Ų159127.9 Ų127.985%0.8578%0.781SS**PPolyproline II helixtrans-70.2155.2179.3-68-62.8000113.3G74D72-G74 PolarHBondContact O-N 3.27Å
73P46.3Very low41.9Very low130 Ų130123.2 Ų123.284%0.84478%0.778SS**PPolyproline II helixtrans-61.1121.6-179.9-23.834.8000113.5
74G43Very low42.4Very low66 Ų66124.2 Ų124.268%0.6878%0.783SS**PPolyproline II helixtrans-68.3151.3178.200000113.8D72D72-G74 PolarHBondContact O-N 3.27Å
75P39.6Very low43Very low131 Ų131125 Ų12585%0.85179%0.787SS**PPolyproline II helixtrans-72.7144.9-178.730.2-35.2000112.6G77P75-G77 PolarHBondContact O-N 2.95Å
76R42.5Very low43.2Very low250 Ų250124.7 Ų124.794%0.94378%0.783SS**PPolyproline II helixtrans-57.3118.3-178.6-176.2-179.2-174.9173.54.4112.5
77G44Very low43.5Very low55 Ų55129.4 Ų129.457%0.56779%0.786SS**PPolyproline II helixtrans-64.5158.3173.700000114.1P75P75-G77 PolarHBondContact O-N 2.95Å
78P42.1Very low44.3Very low122 Ų122125.2 Ų125.279%0.79278%0.776SS**PPolyproline II helixtrans-71.4155.1-179.430.9-35.7000112.2G80P78-G80 PolarHBondContact O-N 3.4Å
79P53Low44.6Very low131 Ų131125.7 Ų125.785%0.85178%0.781SS**PPolyproline II helixtrans-61.1134.4176.1-21.533.3000112.4
80G44.6Very low44.8Very low69 Ų69128.9 Ų128.971%0.71178%0.784SS**PPolyproline II helixtrans-64.2156.3172.400000112.6P78 I82P78-G80 PolarHBondContact O-N 3.4Å; G80-I82 PolarHBondContact O-N 3.13Å
81S42.3Very low45Very low120 Ų120128.3 Ų128.384%0.83978%0.781SS**PPolyproline II helixtrans-62.2130179.349.90000111.8G83S81-G83 PolarHBondContact O-N 3.26Å; S81-G83 VanDerWaalsContact O-N 3.11Å
82I52.5Low45.2Very low170 Ų170127.8 Ų127.887%0.87278%0.776SS**  trans-59.2114.4172.6-64.1170.5000108.7G80G80-I82 PolarHBondContact O-N 3.13Å
83G49.3Very low45.8Very low48 Ų48126.1 Ų126.150%0.49577%0.774SS.*  trans-62.4156.1171.400000111.5S81 K85S81-G83 PolarHBondContact O-N 3.26Å; S81-G83 VanDerWaalsContact O-N 3.11Å; G83-K85 PolarHBondContact O-N 2.83Å; G83-K85 VanDerWaalsContact O-N 3.15Å
84P46.4Very low46Very low134 Ų134125.3 Ų125.387%0.8777%0.768SS**  trans-56124.5-179.824.3-33.7000109.9G86P84-G86 PolarHBondContact O-N 3.32Å
85K47.6Very low46Very low193 Ų193125.3 Ų125.384%0.83977%0.769SS**  trans-58.9114.7179.3-175.8-176.8-180-174.40108.4G83G83-K85 PolarHBondContact O-N 2.83Å; G83-K85 VanDerWaalsContact O-N 3.15Å
86G45.6Very low46Very low60 Ų60127.8 Ų127.862%0.61977%0.774SS**PPolyproline II helixtrans-53.5141.9178.500000111.3P84P84-G86 PolarHBondContact O-N 3.32Å
87Y42.6Very low46Very low230 Ų230126.2 Ų126.290%0.90277%0.768SS**PPolyproline II helixtrans-55.6129.2172.1-67.5-82.5000108.9G89Y87-G89 PolarHBondContact O-N 3.37Å
88P54Low46.1Very low113 Ų113126.8 Ų126.873%0.73477%0.774SS**PPolyproline II helixtrans-56.3127.1162.6-18.531.6000107.5
89G47.4Very low45.9Very low69 Ų69130.1 Ų130.171%0.71178%0.781SS**PPolyproline II helixtrans-59.1145.5174.200000110.2Y87 Q91Y87-G89 PolarHBondContact O-N 3.37Å; G89-Q91 PolarHBondContact O-N 2.66Å; G89-Q91 VanDerWaalsContact O-N 3.15Å
90E41.1Very low45.4Very low198 Ų198133.3 Ų133.393%0.92578%0.782SS**PPolyproline II helixtrans-58.3123173.5-67.1-164.9142.700109.2G92E90-G92 PolarHBondContact O-N 3.23Å
91Q43.5Very low45.5Very low182 Ų182132.8 Ų132.885%0.8578%0.776SS**  trans-72.497.6176.3-172.3170.728.200107.5G89G89-Q91 PolarHBondContact O-N 2.66Å; G89-Q91 VanDerWaalsContact O-N 3.15Å
92G48.2Very low45.4Very low53 Ų53134.6 Ų134.655%0.54678%0.776SS.*PPolyproline II helixtrans-49.2140179.800000111.2E90 P94E90-G92 PolarHBondContact O-N 3.23Å; G92-P94 WeakPolarHBondContact O-CD 3.24Å; G92-P94 VanDerWaalsContact O-N 3.15Å
93P45.5Very low45.2Very low124 Ų124132 Ų13281%0.80577%0.771SS**PPolyproline II helixtrans-56.2120.9-168.321.4-33.3000110.5G95P93-G95 PolarHBondContact O-N 2.93Å; P93-G95 VanDerWaalsContact O-N 3.12Å
94P51.2Low45.3Very low113 Ų113131.9 Ų131.973%0.73477%0.769SS**PPolyproline II helixtrans-56.7120.9176-25.935.3000109.7G92G92-P94 WeakPolarHBondContact O-CD 3.24Å; G92-P94 VanDerWaalsContact O-N 3.15Å
95G44.1Very low45.3Very low67 Ų67134.9 Ų134.969%0.69176%0.763SS**PPolyproline II helixtrans-57.9141.8-175.100000112P93 R97P93-G95 PolarHBondContact O-N 2.93Å; P93-G95 VanDerWaalsContact O-N 3.12Å; G95-R97 VanDerWaalsContact C-N 3.27Å; G95-R97 PolarHBondContact O-N 2.77Å
96L39.5Very low45.2Very low183 Ų183130.2 Ų130.296%0.95875%0.747SS**  trans-63.984.5175.8-69.1172.5000110.3G98L96-G98 PolarHBondContact O-N 3.19Å
97R42.1Very low45Very low217 Ų217129.4 Ų129.482%0.81974%0.738SS**PPolyproline II helixtrans-73.2121.4171.5-157.6172.1-168.2-173.81.8107.9G95G95-R97 VanDerWaalsContact C-N 3.27Å; G95-R97 PolarHBondContact O-N 2.77Å
98G45.3Very low44.9Very low66 Ų66122.5 Ų122.568%0.6873%0.729SS**PPolyproline II helixtrans-56.9154.1-159.400000115.6L96 K100L96-G98 PolarHBondContact O-N 3.19Å; G98-K100 PolarHBondContact O-N 3.3Å
99M37.9Very low44.3Very low193 Ų193125.2 Ų125.295%0.95174%0.738SS**PPolyproline II helixtrans-57.4126.3169.3-68.8175.364.700109.2G101M99-G101 PolarHBondContact O-N 2.66Å
100K42.3Very low44.3Very low198 Ų198125.3 Ų125.386%0.86174%0.739SS**PPolyproline II helixtrans-69118.3169.2-176.8-173.8176-1730107.3G98G98-K100 PolarHBondContact O-N 3.3Å
101G46.7Very low44.2Very low58 Ų58121.7 Ų121.760%0.59873%0.732SS**PPolyproline II helixtrans-61.4158.2174.500000112.3M99M99-G101 PolarHBondContact O-N 2.66Å
102D40.7Very low44.2Very low158 Ų158119 Ų11985%0.84573%0.728SS**PPolyproline II helixtrans-62.4149.8178.6-69.8-69000112.1
103P49Very low43.9Very low116 Ų116119.7 Ų119.775%0.75374%0.735SS**PPolyproline II helixtrans-62.3139.7169.3-16.730.8000110.8
104G51.4Low43.6Very low44 Ų44119.9 Ų119.945%0.45473%0.725SS.*  trans-70-168.1170.300000113.2E135G104-E135 WeakPolarHBondContact CA-OE2 2.93Å
105R45.5Very low43.3Very low198 Ų198125.1 Ų125.175%0.74773%0.73SS**  trans-104.49.6176.2-82.4179168.2-179.3-3115E135 T136R105-E135 HydrophobicContact CB-CB 3.84Å; R105-E135 PolarHBondContact N-OE1 2.94Å; R105-E135 PolarHBondContact N-OE2 3.27Å; R105-E135 CarbonylContact O-C 3.57Å; R105-E135 WeakPolarHBondContact O-CB 3.31Å; R105-E135 VanDerWaalsContact O-O 3.09Å; R105-T136 WeakPolarHBondContact O-CA 3.15Å; R105-T136 PolarHBondContact O-N 3.48Å; R105-T136 PolarHBondContact O-OG1 3.09Å; R105-T136 VanDerWaalsContact O-OG1 3.13Å
106D44.9Very low43.5Very low95 Ų95125.4 Ų125.451%0.50873%0.733SS.*  trans78.163167.4-154.930.6000123E135 T136 G137 E138D106-E135 VanDerWaalsContact N-CD 3.34Å; D106-E135 PolarHBondContact N-OE2 3.05Å; D106-T136 CarbonylContact O-C 3.5Å; D106-T136 WeakPolarHBondContact O-CA 3.48Å; D106-T136 PolarHBondContact O-N 3.3Å; D106-T136 VanDerWaalsContact O-N 3.15Å; D106-G137 WeakPolarHBondContact O-CA 3.35Å; D106-G137 PolarHBondContact O-N 3.23Å; D106-G137 VanDerWaalsContact O-N 3.1Å; D106-G137 WeakPolarHBondContact OD2-CA 3.45Å; D106-E138 PolarHBondContact OD2-N 3.06Å
107G42.6Very low43.5Very low42 Ų42122.6 Ų122.643%0.43373%0.726SS.*  trans68.3152.5167.800000122.3E135 T136G107-E135 VanDerWaalsContact N-CG 3.3Å; G107-E135 CarbonylContact O-C 3.47Å; G107-E135 WeakPolarHBondContact O-CA 3.21Å; G107-T136 CarbonylContact O-C 3.28Å; G107-T136 PolarHBondContact O-N 2.7Å
108A40.9Very low43.6Very low86 Ų86118 Ų11871%0.71173%0.727SS**  trans-169.1-171.3172.700000114.1
109D41.1Very low43.3Very low170 Ų170118 Ų11891%0.90973%0.726SS**  trans-117.3157.9-162.4-66.9-32.8000118.2
110G46.5Very low43.2Very low71 Ų71115.7 Ų115.773%0.73272%0.718SS**  trans-104.2-145.5-172.800000118
111P39.2Very low43Very low122 Ų122115.6 Ų115.679%0.79272%0.718SS**  cis-142.6163.746.140.2-21.2000119.4
112V43.2Very low42.4Very low125 Ų125116.2 Ų116.276%0.75872%0.724SS**  trans30.1135.3148.5-171.40000120.3
113G41.5Very low42.2Very low67 Ų67114.4 Ų114.469%0.69172%0.721SS**  cis-157.7-150.88.300000110.7
114E40.8Very low41.9Very low128 Ų128115 Ų11560%0.59873%0.725SS**  cis-127.4-130.51.2-65.4-174.833.100111.7L1412E114-L1412 PolarHBondContact OE2-N 3.4Å
115R43.7Very low41.1Very low224 Ų224116.4 Ų116.485%0.84574%0.739SS**  trans-159.6126.8-164.6-169.5-176.7-59.7172.16.4120
116G48.2Very low40.4Very low72 Ų72116.1 Ų116.174%0.74275%0.748SS**  trans69.1177.3147.400000118.6
117P40.9Very low39.8Very low125 Ų125121.1 Ų121.181%0.81277%0.768SS**  cis-115.7-173-8.141.1-27.9000112.5
118S43.5Very low39.5Very low121 Ų121122.4 Ų122.485%0.84678%0.781SS**  cis-165.5-174.7-24.6-91.30000109.1
119G38.7Very low39.1Very low64 Ų64126.5 Ų126.566%0.6679%0.786SS**  trans-81-166.8-17800000117.4
120D36.4Very low39Very low146 Ų146126.5 Ų126.578%0.78178%0.78SS**  cis-148.6150.222.7-88.6-34.9000118.1
121F37.7Very low38.6Very low196 Ų196126.4 Ų126.486%0.8678%0.779SS**  trans34.4133.8152-68.7-76.5000127.2
122G34.3Very low38.5Very low70 Ų70128.9 Ų128.972%0.72278%0.78SS**  trans-155.3129.9146.400000110.1
123P36.9Very low38.3Very low120 Ų120127.1 Ų127.178%0.77977%0.773SS**  trans-102179.7-167.939.7-37.7000114.3
124P41.1Very low38.3Very low130 Ų130126.8 Ų126.884%0.84477%0.77SS**  cis-131172.4-27.932.6-15000113.9
125G34.8Very low38Very low72 Ų72123.6 Ų123.674%0.74276%0.755SS**  trans161.194.8158.500000121
126M32.4Very low38Very low193 Ų193118.5 Ų118.595%0.95175%0.749SS**  trans55160.3148.4-59.7-168.973.300122.3
127H31.5Very low37.8Very low199 Ų199117.1 Ų117.192%0.92174%0.735SS**  trans-100.6166.8-155.9-53.5-44.8000117.5
128G36.8Very low37.5Very low69 Ų69120.1 Ų120.171%0.71174%0.738SS**  trans125.7139.9149.400000115
129E32.2Very low37.4Very low172 Ų172124.2 Ų124.280%0.80474%0.741SS**  cis-156.1175.6-6.5-67.8-168.6132.300110.9
130H39.5Very low37.7Very low170 Ų170125 Ų12579%0.78775%0.749SS**  trans74.2145.1174.9-65.566.3000116.5
131G37.3Very low37.8Very low70 Ų70122.7 Ų122.772%0.72275%0.75SS**  cis111.7136.814.400000109.8
132E38Very low37.7Very low173 Ų173124 Ų12481%0.80876%0.755SS**  cis-144.914513.5-70.4-176.3101.900109.7
133S37.2Very low37.8Very low88 Ų88124.1 Ų124.162%0.61576%0.756SS**  61.7128.796.4-36.20000116.3E135S133-E135 WeakPolarHBondContact CA-OE1 3.36Å
134G42.2Very low38.1Very low60 Ų60126.8 Ų126.862%0.61976%0.762SS**  trans170100.6-178.800000116.4
135E35Very low37.8Very low62 Ų62125 Ų12529%0.2976%0.759SS.*  trans-174.7157.7-142.4-71.7155.9-81.300114.6G104 R105 D106 G107 S133G104-E135 WeakPolarHBondContact CA-OE2 2.93Å; R105-E135 HydrophobicContact CB-CB 3.84Å; R105-E135 PolarHBondContact N-OE1 2.94Å; R105-E135 PolarHBondContact N-OE2 3.27Å; R105-E135 CarbonylContact O-C 3.57Å; R105-E135 WeakPolarHBondContact O-CB 3.31Å; R105-E135 VanDerWaalsContact O-O 3.09Å; D106-E135 VanDerWaalsContact N-CD 3.34Å; D106-E135 PolarHBondContact N-OE2 3.05Å; G107-E135 VanDerWaalsContact N-CG 3.3Å; G107-E135 CarbonylContact O-C 3.47Å; G107-E135 WeakPolarHBondContact O-CA 3.21Å; S133-E135 WeakPolarHBondContact CA-OE1 3.36Å
136T44.1Very low37.9Very low116 Ų116124.7 Ų124.771%0.71276%0.755SS**  trans168.2137.7154.4-70.50000111.8R105 D106 G107R105-T136 WeakPolarHBondContact O-CA 3.15Å; R105-T136 PolarHBondContact O-N 3.48Å; R105-T136 PolarHBondContact O-OG1 3.09Å; R105-T136 VanDerWaalsContact O-OG1 3.13Å; D106-T136 CarbonylContact O-C 3.5Å; D106-T136 WeakPolarHBondContact O-CA 3.48Å; D106-T136 PolarHBondContact O-N 3.3Å; D106-T136 VanDerWaalsContact O-N 3.15Å; G107-T136 CarbonylContact O-C 3.28Å; G107-T136 PolarHBondContact O-N 2.7Å
137G44.2Very low38.2Very low43 Ų43121.6 Ų121.644%0.44375%0.751SS.*  cis169.1158.5-9.700000115.1D106D106-G137 WeakPolarHBondContact O-CA 3.35Å; D106-G137 PolarHBondContact O-N 3.23Å; D106-G137 VanDerWaalsContact O-N 3.1Å; D106-G137 WeakPolarHBondContact OD2-CA 3.45Å
138E34.6Very low38.6Very low189 Ų189118.4 Ų118.488%0.88375%0.748SS**  trans-72.8140.6-170.5-156.7-173.1-13000115.8D106 G140D106-E138 PolarHBondContact OD2-N 3.06Å; E138-G140 PolarHBondContact O-N 2.86Å
139K41.6Very low38.7Very low207 Ų207119 Ų11990%0.975%0.754SS**  trans-93.495.5-168.2-89.8-176.9178.4168.90116.8
140G43.4Very low39.4Very low81 Ų81114.7 Ų114.784%0.83576%0.756SS**  76.1118.2118.600000120.2E138E138-G140 PolarHBondContact O-N 2.86Å
141A39.4Very low39Very low97 Ų97116.9 Ų116.980%0.80276%0.763SS**  trans-107.4135.9172.800000113.7
142K35Very low39.1Very low222 Ų222116.2 Ų116.297%0.96576%0.757SS**  trans177.3137.6144.2-103.7161.7-1761740113.5
143G37.6Very low39.6Very low73 Ų73116.2 Ų116.275%0.75376%0.762SS**  trans144.8104162.700000115.4
144I42Very low39.7Very low176 Ų176118 Ų11890%0.90377%0.771SS**  trans-155.2161.4-179.941.3169.2000108.5
145A35.8Very low39.4Very low94 Ų94118.6 Ų118.678%0.77778%0.778SS**  cis-148.5179.15.500000108.1
146G36.6Very low40Very low64 Ų64125.2 Ų125.266%0.6681%0.809SS**  cis141.7-167.55.500000110.8
147C37.7Very low39.4Very low129 Ų129129.6 Ų129.687%0.87282%0.818SS**  trans63.5171.4167.5-56.70000117.4
148P39.7Very low38.9Very low132 Ų132130.9 Ų130.986%0.85783%0.831SS**  cis-121.7179.8-12.441.6-28.6000113.3
149G39.4Very low39.5Very low81 Ų81131.1 Ų131.184%0.83583%0.833SS**  trans142.8111.5157.100000114.5
150G47.2Very low39.6Very low81 Ų81127.5 Ų127.584%0.83583%0.83SS**  trans-148.5144.8170.400000111.7
151K30.6Very low39.2Very low216 Ų216127.2 Ų127.294%0.93983%0.827SS**  trans179.9130.9138.2-175.3169.4-175.3178.90110.6
152G39.7Very low39.7Very low57 Ų57132.1 Ų132.159%0.58883%0.825SS**  trans147.2123.4161.500000112.8P154G152-P154 WeakPolarHBondContact O-CD 3.44Å
153D47.8Very low40.1Very low173 Ų173130.9 Ų130.993%0.92582%0.823SS**  trans-103.9104.9157.1-60.7-60.6000107.5
154P40.6Very low40.4Very low124 Ų124130.9 Ų130.981%0.80582%0.823SS**  trans-128.585177.132-11.4000112.7G152G152-P154 WeakPolarHBondContact O-CD 3.44Å
155G36Very low40.5Very low73 Ų73129.1 Ų129.175%0.75381%0.812SS**  trans92.4127.314800000118.7K157G155-K157 PolarHBondContact O-N 2.92Å
156E46.2Very low40.9Very low202 Ų202133.1 Ų133.194%0.94482%0.82SS**  trans-70.7100.3152.9-71.3-177.8135.500109.4
157K32.8Very low41Very low207 Ų207133.5 Ų133.590%0.983%0.825SS**  trans-170.5123.5163.8-118.1178.3179-178.10109.3G155G155-K157 PolarHBondContact O-N 2.92Å
158G32.8Very low41.3Very low71 Ų71132.4 Ų132.473%0.73281%0.81SS**  cis169.3161-6.100000108.7
159E48.2Very low41.8Very low194 Ų194138 Ų13891%0.90781%0.814SS**  trans-63.7147.1166.4-63.1-171.7148.700109.6
160P42.8Very low41.9Very low131 Ų131137.2 Ų137.285%0.85181%0.806SS**  cis-138.4179.830.342.7-25.9000116.3
161G36.3Very low42.1Very low75 Ų75142.1 Ų142.177%0.77381%0.813SS**  trans172.487.6163.600000114.6
162R49Very low42.8Very low200 Ų200137.9 Ų137.976%0.75581%0.807SS**  trans-90.4120170.9-90.5171.8153.9-115.4-6.5110.5E768R162-E768 IonicContact CZ-OE1 3.79Å; R162-E768 IonicContact CZ-OE2 2.81Å; R162-E768 IonicContact NH1-OE1 2.65Å; R162-E768 PolarHBondContact NH1-OE1 2.84Å; R162-E768 IonicContact NH1-OE2 2.98Å; R162-E768 PolarHBondContact NH1-OE2 3.27Å; R162-E768 IonicContact NH2-OE1 2.71Å; R162-E768 IonicContact NH2-OE2 3.6Å; R162-E768 PolarHBondContact NH2-OE2 2.68Å
163Q43Very low42.9Very low196 Ų196138.2 Ų138.292%0.91681%0.81SS**  trans-163.4124.2179.1-174.6177.222.200108
164G44.3Very low43Very low73 Ų73138.5 Ų138.575%0.75381%0.81SS**  cis-160.1175.1-10.600000108.8
165M44Very low42.7Very low139 Ų139140.3 Ų140.369%0.68581%0.813SS**  trans-120.1123.4-177.7-83.6179.9160.900113.1P771M165-P771 HydrophobicContact CE-CG 3.98Å; M165-P771 HydrophobicContact SD-CG 3.78Å
166D44.1Very low42.8Very low177 Ų177140 Ų14095%0.94781%0.81SS**  trans-156137.6161.5-73.3-61.4000105.3
167G39.6Very low42.7Very low73 Ų73135.7 Ų135.775%0.75379%0.79SS**  cis-175.5155.5-800000108.3
168D44.2Very low43.1Very low105 Ų105137.7 Ų137.756%0.56179%0.792SS**  trans-60.5141.6-169.5-75.2-63.4000115.3Q773D168-Q773 PolarHBondContact OD1-NE2 3.47Å
169R48.4Very low43.6Very low249 Ų249137.2 Ų137.294%0.9479%0.787SS**  trans-137.2118.6160.3-157.3174.1-165.8173.94.7109.2
170G42.2Very low43.4Very low65 Ų65135.4 Ų135.467%0.6778%0.783SS**  trans-73.7175.2-161.200000116.8P172G170-P172 WeakPolarHBondContact O-CD 3.45Å
171L51.4Low43.4Very low185 Ų185135.4 Ų135.497%0.96978%0.783SS**  trans-83.7115.8178.9-66.4169.8000112.1
172P45.6Very low43.3Very low127 Ų127135.4 Ų135.483%0.82578%0.783SS**  trans-133.2139.1139.536.6-26.9000110.9G170G170-P172 WeakPolarHBondContact O-CD 3.45Å
173G40.7Very low42.5Very low63 Ų63134.9 Ų134.965%0.64979%0.789SS**  cis-167.6164.4-6.300000108.8D175G173-D175 PolarHBondContact O-N 2.71Å; G173-D175 VanDerWaalsContact O-N 3.12Å
174I49.8Very low42.3Very low179 Ų179131.6 Ų131.692%0.91879%0.788SS**  trans-85.578.1179.146.5166.3000111.9
175D34.4Very low41.9Very low162 Ų162131.2 Ų131.287%0.86678%0.784SS**  trans-134.3129.3164.2-73.9-60.2000107.7G173G173-D175 PolarHBondContact O-N 2.71Å; G173-D175 VanDerWaalsContact O-N 3.12Å
176G40Very low41.6Very low68 Ų68135 Ų13570%0.70180%0.797SS**  cis-173.1-170.7-5.100000107.9R178G176-R178 PolarHBondContact O-N 3.17Å
177E42.5Very low41.5Very low111 Ų111129.9 Ų129.952%0.51979%0.786SS.*  trans-66.3133.4170.455.6176.9133.700111.5G179 P1406E177-G179 PolarHBondContact O-N 3.13Å; E177-G179 VanDerWaalsContact O-N 3.1Å; E177-P1406 HydrophobicContact CB-CG 3.74Å; E177-P1406 HydrophobicContact CG-CG 4.12Å; E177-P1406 WeakPolarHBondContact OE1-CD 3.44Å; E177-P1406 WeakPolarHBondContact OE2-CB 3.38Å; E177-P1406 WeakPolarHBondContact OE2-CG 3.27Å
178R42.2Very low41.7Very low249 Ų249137.4 Ų137.494%0.9479%0.792SS**  trans-82.793.4-176.7-175.1174.9-65.7179.12109.3G176G176-R178 PolarHBondContact O-N 3.17Å
179G42.4Very low41.4Very low61 Ų61142.8 Ų142.863%0.62980%0.804SS**PPolyproline II helixtrans-61.6171-173.700000116.4E177E177-G179 PolarHBondContact O-N 3.13Å; E177-G179 VanDerWaalsContact O-N 3.1Å
180D44.2Very low41.2Very low155 Ų155134.1 Ų134.183%0.82979%0.793SS**PPolyproline II helixtrans-61.3159.8-170.7-67.4-61.7000115.6G182D180-G182 PolarHBondContact O-N 2.72Å
181P42Very low40.9Very low132 Ų132139.2 Ų139.286%0.85780%0.803SS**PPolyproline II helixtrans-60.4119.9167.8-17.731.2000110.8
182G35Very low40.8Very low75 Ų75136.5 Ų136.577%0.77380%0.797SS**PPolyproline II helixtrans-87.2151.8178.800000113.7D180D180-G182 PolarHBondContact O-N 2.72Å
183E32.5Very low40.2Very low188 Ų188133.6 Ų133.688%0.87979%0.79SS**  -162.9139.9121.8-164162-134.600111.2
184S37.6Very low40.2Very low127 Ų127136.5 Ų136.589%0.88880%0.797SS**  trans63.4154.9179.779.90000116.9
185G36.5Very low39.6Very low65 Ų65134.9 Ų134.967%0.6778%0.784SS**  cis169.3129-11.100000113.7
186F37.2Very low39.9Very low220 Ų220130.1 Ų130.197%0.96577%0.772SS**  trans56.559.2158.7-79.3-87.9000121.4
187G43.8Very low39.9Very low69 Ų69135 Ų13571%0.71178%0.777SS**  69179.7114.300000123.2
188R43.3Very low40Very low231 Ų231135.1 Ų135.187%0.87279%0.788SS**  trans70.5144.2-173.4-54.9179.9179.4-143.1-3.5113.4
189R37.4Very low39.8Very low218 Ų218126.5 Ų126.582%0.82378%0.776SS**  cis-174.4136.2-9.9160.7-165.2-72.7-172.8-6.4103.6
190G43.6Very low39.6Very low67 Ų67131.8 Ų131.869%0.69179%0.79SS**  cis147.91691400000106.3
191L36.8Very low39.3Very low172 Ų172130 Ų13090%0.90178%0.784SS**  cis-156156.7-9.2-96.3166.8000106.6
192P48.4Very low39.8Very low127 Ų127127 Ų12783%0.82578%0.778SS**  trans-95.1164.5-167.937-36.8000115.8
193G33Very low39.9Very low66 Ų66129 Ų12968%0.6878%0.777SS**  trans126.6166.4162.500000115
194P41.1Very low40.2Very low125 Ų125125.9 Ų125.981%0.81276%0.761SS**  cis-110-163.20.340.7-30.3000113.4
195K38Very low40.3Very low145 Ų145122.8 Ų122.863%0.6375%0.748SS**  trans-130.8143.8-169.7167.1-169171.4-169.90110.1P1400K195-P1400 HydrophobicContact CB-CG 4.09Å
196G40.4Very low40.5Very low61 Ų61121.5 Ų121.563%0.62973%0.726SS**  trans153.5151.5151.700000116.3
197E39.1Very low40.8Very low172 Ų172118.3 Ų118.380%0.80472%0.719SS**  cis-145.4161.2-18.9-81.7-149.6128.400110.1
198P45.6Very low40.7Very low113 Ų113117.3 Ų117.373%0.73471%0.709SS**  trans-73.4167.9-176-14.731.2000113.8
199G37.8Very low40.4Very low68 Ų68111 Ų11170%0.70169%0.691SS**  trans-59.6149169.600000112.7V201G199-V201 PolarHBondContact O-N 3Å
200N37.3Very low40.4Very low172 Ų172107.4 Ų107.492%0.9268%0.684SS**  trans-63.196.7-174.6-83.2-45.1000113.2G202N200-G202 PolarHBondContact O-N 3.5Å
201V39.2Very low39.9Very low116 Ų116106.2 Ų106.270%0.70367%0.672SS**  trans-69.987152.5-179.70000107.5G199 P203 K204G199-V201 PolarHBondContact O-N 3Å; V201-P203 CarbonylContact O-C 3.23Å; V201-P203 VanDerWaalsContact O-C 3.23Å; V201-P203 VanDerWaalsContact O-CA 3.26Å; V201-P203 WeakPolarHBondContact O-CA 3.31Å; V201-K204 PolarHBondContact O-N 2.81Å
202G51.2Low39.9Very low70 Ų70107 Ų10772%0.72267%0.671SS**SBendtrans-87.6120.2177.200000112.5N200N200-G202 PolarHBondContact O-N 3.5Å
203P38.1Very low39.3Very low116 Ų116109.3 Ų109.375%0.75366%0.663SS**SBendcis-81166.2-41.436.9-32.3000111.5V201V201-P203 CarbonylContact O-C 3.23Å; V201-P203 VanDerWaalsContact O-C 3.23Å; V201-P203 VanDerWaalsContact O-CA 3.26Å; V201-P203 WeakPolarHBondContact O-CA 3.31Å
204K39.6Very low39.5Very low124 Ų124109.3 Ų109.354%0.53966%0.663SS.*PPolyproline II helixtrans-58.3137.9162.4172.2177173.3-128.80110.5V201 D206V201-K204 PolarHBondContact O-N 2.81Å; K204-D206 HydrophobicContact CD-CB 4.18Å; K204-D206 VanDerWaalsContact CD-OD1 3.28Å; K204-D206 WeakPolarHBondContact CD-OD1 3.46Å; K204-D206 WeakPolarHBondContact CE-OD1 3.33Å; K204-D206 HydrophobicContact CG-CB 4.14Å; K204-D206 VanDerWaalsContact NZ-CB 3.28Å; K204-D206 IonicContact NZ-OD1 2.72Å; K204-D206 PolarHBondContact NZ-OD1 2.96Å; K204-D206 PolarHBondContact O-N 2.79Å
205G38.5Very low39.2Very low61 Ų61111 Ų11163%0.62967%0.665SS**  trans-73.2111.9160.100000110.2D207G205-D207 PolarHBondContact O-N 2.69Å
206D41.4Very low39.8Very low39 Ų39110.1 Ų110.121%0.20967%0.674CS.*  trans-67.188.1176.663.5-175000117.9K204 I779 R780K204-D206 HydrophobicContact CD-CB 4.18Å; K204-D206 VanDerWaalsContact CD-OD1 3.28Å; K204-D206 WeakPolarHBondContact CD-OD1 3.46Å; K204-D206 WeakPolarHBondContact CE-OD1 3.33Å; K204-D206 HydrophobicContact CG-CB 4.14Å; K204-D206 VanDerWaalsContact NZ-CB 3.28Å; K204-D206 IonicContact NZ-OD1 2.72Å; K204-D206 PolarHBondContact NZ-OD1 2.96Å; K204-D206 PolarHBondContact O-N 2.79Å; D206-I779 CarbonylContact O-C 3.53Å; D206-R780 HydrophobicContact CB-CB 3.88Å; D206-R780 PolarHBondContact O-N 2.97Å; D206-R780 IonicContact OD1-NH1 3.2Å; D206-R780 PolarHBondContact OD1-NH1 3.4Å; D206-R780 WeakPolarHBondContact OD2-CB 3.21Å; D206-R780 WeakPolarHBondContact OD2-CD 3.31Å; D206-R780 WeakPolarHBondContact OD2-CG 3.29Å; D206-R780 IonicContact OD2-CZ 3.96Å; D206-R780 IonicContact OD2-NE 3.59Å; D206-R780 IonicContact OD2-NH1 3.65Å; D206-R780 PolarHBondContact OD2-NH1 3.46Å
207D42.7Very low39.3Very low152 Ų152110.8 Ų110.881%0.81368%0.681SS**  trans-77.7133.2163.1-65.5-42.7000114.4G205 I779G205-D207 PolarHBondContact O-N 2.69Å; D207-I779 CarbonylContact C-O 3.44Å
208G42.6Very low38.9Very low49 Ų49110.5 Ų110.551%0.50569%0.685SS.*  trans92.5107.6152.800000122.8I779G208-I779 CarbonylContact C-O 3.54Å; G208-I779 VanDerWaalsContact CA-O 3.23Å; G208-I779 WeakPolarHBondContact CA-O 3.45Å; G208-I779 PolarHBondContact N-O 3.06Å; G208-I779 WeakPolarHBondContact O-CG1 3.1Å
209I37.4Very low39.2Very low97 Ų97110.9 Ų110.950%0.49769%0.687SS.*  -161.7148122.573.5-175.3000113.3S777 G778 I779I209-S777 CarbonylContact C-O 3.47Å; I209-S777 PolarHBondContact N-O 2.89Å; I209-S777 CarbonylContact O-C 3.07Å; I209-G778 CarbonylContact O-C 3.36Å; I209-G778 VanDerWaalsContact O-C 3.29Å; I209-G778 WeakPolarHBondContact O-CA 3.36Å; I209-G778 PolarHBondContact O-N 3.16Å; I209-I779 HydrophobicContact CB-CG1 4.1Å; I209-I779 HydrophobicContact CD1-CB 4.48Å; I209-I779 HydrophobicContact CD1-CD1 3.86Å; I209-I779 HydrophobicContact CD1-CG1 4.04Å; I209-I779 HydrophobicContact CD1-CG2 3.84Å; I209-I779 HydrophobicContact CG1-CB 4.11Å; I209-I779 HydrophobicContact CG1-CD1 4.07Å; I209-I779 HydrophobicContact CG1-CG1 3.69Å; I209-I779 HydrophobicContact CG1-CG2 3.78Å; I209-I779 HydrophobicContact CG2-CD1 3.96Å; I209-I779 HydrophobicContact CG2-CG1 3.94Å; I209-I779 PolarHBondContact N-O 2.96Å; I209-I779 PolarHBondContact O-N 3.43Å
210Q36.5Very low39.1Very low144 Ų144110 Ų11067%0.67368%0.677SS**  trans-66.6159.4172.2-59.1165-90.200114.2D776Q210-D776 HydrophobicContact CG-CB 4.1Å; Q210-D776 PolarHBondContact NE2-OD2 2.9Å
211G32.8Very low39.1Very low42 Ų42107.2 Ų107.243%0.43366%0.662SS.*  cis-120.3-157.6-0.900000112.9D776 S777G211-D776 WeakPolarHBondContact CA-OD1 3.02Å; G211-S777 WeakPolarHBondContact O-CB 3.44Å
212E36.2Very low38.9Very low189 Ų189108.1 Ų108.188%0.88366%0.659SS**  cis-146.3176.13.9-70.8-170.1122.200111.9S777E212-S777 PolarHBondContact N-OG 3.13Å
213R36.1Very low38.5Very low175 Ų175107.9 Ų107.966%0.6666%0.656SS**  trans-115.3136.7-174.5175.7-167.1-150.2-172.98.7112.6
214G38.5Very low38.2Very low65 Ų65109.9 Ų109.967%0.6766%0.66SS**  trans97.8159.2168.200000114.3
215D33.6Very low38.2Very low161 Ų161114.7 Ų114.786%0.86168%0.675SS**  cis-128.1154.76.3-80.2-35.8000113
216P50.4Low37.9Very low126 Ų126114.8 Ų114.882%0.81868%0.676SS**PPolyproline II helixtrans-81.5135.2174.632.8-33.8000113.1
217G31.2Very low37.5Very low76 Ų76120.6 Ų120.678%0.78470%0.702SS**PPolyproline II helixtrans-99.2140172.800000113.4
218L30.9Very low37.2Very low166 Ų166121.6 Ų121.687%0.86971%0.707SS**PPolyproline II helixtrans-83149.8-179.6-72.9163000112.8
219P51.2Low36.9Very low120 Ų120122.7 Ų122.778%0.77972%0.719SS**PPolyproline II helixtrans-93.3160.5-17736.8-36.5000114.4
220G35Very low37.2Very low49 Ų49124.7 Ų124.751%0.50573%0.73SS.*  trans-177.8175.116000000114.5K712G220-K712 CarbonylContact C-O 3.52Å; G220-K712 WeakPolarHBondContact CA-O 3.25Å
221L37.6Very low37.5Very low114 Ų114127 Ų12760%0.59774%0.739SS**  trans-123.7-176.4-159.7-55.7140.5000113.6G713 Q714L221-G713 PolarHBondContact N-O 2.78Å; L221-G713 CarbonylContact O-C 3.49Å; L221-G713 VanDerWaalsContact O-C 3.24Å; L221-G713 WeakPolarHBondContact O-CA 3.19Å; L221-G713 PolarHBondContact O-N 3.15Å; L221-Q714 CarbonylContact C-O 3.49Å; L221-Q714 WeakPolarHBondContact CB-O 3.36Å; L221-Q714 PolarHBondContact O-N 3.29Å
222E36Very low37.6Very low135 Ų135128.4 Ų128.463%0.63175%0.753SS**  trans65.9131.3177.5-106.8160.6168.900116.5Q714 P715E222-Q714 WeakPolarHBondContact CB-O 3.38Å; E222-Q714 VanDerWaalsContact CD-O 3.29Å; E222-Q714 WeakPolarHBondContact CG-O 3.33Å; E222-Q714 PolarHBondContact N-O 2.7Å; E222-Q714 VanDerWaalsContact N-O 3.15Å; E222-Q714 WeakPolarHBondContact OE2-CA 3.01Å; E222-Q714 PolarHBondContact OE2-N 3.43Å; E222-P715 HydrophobicContact CG-CG 4.5Å; E222-P715 WeakPolarHBondContact OE1-CB 3.44Å; E222-P715 VanDerWaalsContact OE1-CG 3.32Å; E222-P715 WeakPolarHBondContact OE1-CG 3.25Å
223G42.6Very low38.2Very low65 Ų65126.5 Ų126.567%0.6775%0.754SS**  cis137.6128.9-0.400000111.9
224D31.8Very low38.1Very low158 Ų158123.9 Ų123.985%0.84576%0.76SS**  trans167.1138.9139.9-98.1-8.8000114.6
225R38.9Very low37.8Very low225 Ų225124.8 Ų124.885%0.84977%0.768SS**  trans52.7143.2161-83.5-177.3158.4129.9-3.4121.5E227R225-E227 IonicContact NE-OE2 2.97Å
226G32.6Very low38.6Very low63 Ų63126.8 Ų126.865%0.64977%0.773SS**  cis168.5153.4-9.600000115.9
227E33.4Very low37.9Very low162 Ų162126 Ų12676%0.75778%0.777SS**  trans63.2159.7144.9-61.5174.4120.300121.3R225R225-E227 IonicContact NE-OE2 2.97Å
228D36.6Very low37.9Very low172 Ų172125.9 Ų125.992%0.9278%0.775SS**  trans67.9115.7-179.3-53.7-14.3000117.5
229G36.3Very low38.2Very low72 Ų72127.4 Ų127.474%0.74278%0.778SS**  cis-164.4-178.9-6.200000108.2
230D44Very low37.6Very low139 Ų139127.8 Ų127.874%0.74378%0.781SS**  cis-158.9157.57.9-125.5-7.8000109.5
231F41.7Very low37.4Very low194 Ų194129.2 Ų129.285%0.85180%0.795SS**  trans8.2138.3170.2-52.8-88.4000121.7
232G35.4Very low37.3Very low70 Ų70133 Ų13372%0.72281%0.809SS**  cis167146.31.300000111.2
233V48.2Very low37.2Very low149 Ų149131.5 Ų131.590%0.90381%0.814SS**  trans-103.8141.4-164.6-1620000113.9
234P33.9Very low36.4Very low121 Ų121136.4 Ų136.479%0.78682%0.823SS**  trans-144.5122.3154.635-16.3000116.9
235G32.4Very low36.3Very low83 Ų83135.4 Ų135.486%0.85682%0.816SS**  trans88.9142.1142.500000120.2
236E50.4Low36.1Very low204 Ų204131.8 Ų131.895%0.95381%0.814SS**  trans-98.6157.5170.7-66-177.7132.300112.9
237A35Very low35.9Very low110 Ų110134.2 Ų134.291%0.90982%0.816SS**  trans-158.4152.7157.500000108.1
238G32.7Very low35.8Very low72 Ų72137 Ų13774%0.74282%0.821SS**  cis156.9137.1-1.200000109.3
239E36Very low35.9Very low199 Ų199133.2 Ų133.293%0.9381%0.805SS**  trans-68.8138-173.8-67.2-174.7139.700113.8
240P38.4Very low35.8Very low128 Ų128135.2 Ų135.283%0.83181%0.805SS**  trans-89.3145.216935-32.5000112.6
241G30.5Very low35Very low78 Ų78134.5 Ų134.580%0.80481%0.805SS**  trans-101.7-165.1-179.200000115.5
242E35.5Very low34.4Very low193 Ų193134.8 Ų134.890%0.90281%0.806SS**SBendtrans-62.2134-173.4-64.1-178.9118.200115.1
243S34.2Very low34Very low104 Ų104135.2 Ų135.273%0.72781%0.811SS**  trans39.9124.6151.266.50000121.2
244I27.3Very low33.1Very low168 Ų168132.7 Ų132.786%0.86281%0.805SS**  -166.9164.6108.9-101.6164.1000111.2
245I30Very low33Very low138 Ų138133 Ų13371%0.70881%0.808SS**  trans-91.7140.9-167.3-61158.5000112.6
246D33.1Very low32.7Very low148 Ų148132.7 Ų132.779%0.79180%0.804SS**  trans57.4166.5159.1-74.4-29.3000121.4
247T30Very low32.1Very low114 Ų114127.5 Ų127.570%0.69979%0.79SS**  124.8127.2129.3-48.10000114.5T249T247-T249 PolarHBondContact O-N 3.18Å; T247-T249 VanDerWaalsContact O-N 3.12Å
248Y31.2Very low32Very low221 Ų221128.1 Ų128.187%0.86779%0.785SS**  trans-71.292.3156.8-113.5-103.8000107.6
249T37.5Very low31.8Very low93 Ų93126.1 Ų126.157%0.57176%0.764SS**  61.3148.192.867.40000114.1T247T247-T249 PolarHBondContact O-N 3.18Å; T247-T249 VanDerWaalsContact O-N 3.12Å
250P35Very low31.4Very low114 Ų114120.5 Ų120.574%0.7474%0.741SS**  cis-141.9-157.626.936.8-13.8000115.2
251V27.4Very low31.3Very low124 Ų124119.7 Ų119.775%0.75274%0.735SS**  trans104.382.2161.6-167.30000116.7
252K28.2Very low31.3Very low199 Ų199118.4 Ų118.487%0.86572%0.722SS**  59.297.1118.5-165-178.1-174.8179.50117.2
253G27.5Very low30.8Very low80 Ų80115.3 Ų115.383%0.82571%0.712SS**  trans-79.7150.2176.300000115.5
254A28.8Very low30.8Very low96 Ų96116.4 Ų116.479%0.79372%0.717SS**  trans177156.5152.600000108.8
255P31.2Very low30.8Very low128 Ų128111.2 Ų111.283%0.83171%0.705SS**  cis-135.2175-4239.7-25.7000112.3
256G27.8Very low30.7Very low76 Ų76115.8 Ų115.878%0.78471%0.713SS**  trans105124.515000000117.8
257S37.1Very low30.5Very low95 Ų95115.9 Ų115.966%0.66471%0.714SS**  trans-52.6164.7164.654.80000114
258P33.8Very low30.4Very low122 Ų122116.3 Ų116.379%0.79272%0.719SS**  -119.2153.594.8-5.724.7000114
259G28.6Very low30.3Very low30 Ų30110.4 Ų110.431%0.30971%0.711SS.*  trans-102.5158145.300000111.2S740G259-S740 CarbonylContact C-O 3.24Å; G259-S740 VanDerWaalsContact C-O 3.3Å; G259-S740 WeakPolarHBondContact CA-O 3.18Å
260D27.1Very low30.1Very low82 Ų82111.9 Ų111.944%0.43972%0.719SS.*  trans33.883159-81.5-57.4000117.3G262 Q739 S740D260-G262 VanDerWaalsContact C-N 3.34Å; D260-G262 PolarHBondContact O-N 3.14Å; D260-Q739 VanDerWaalsContact CG-C 3.46Å; D260-Q739 WeakPolarHBondContact OD1-CA 3.05Å; D260-Q739 PolarHBondContact OD1-N 3.47Å; D260-S740 PolarHBondContact N-O 3.05Å; D260-S740 VanDerWaalsContact OD2-C 3.3Å; D260-S740 PolarHBondContact OD2-N 3.25Å
261P36.1Very low30Very low110 Ų110112.4 Ų112.471%0.71472%0.721SS**  trans-71.494.1141.715.41.2000108.4
262G29.1Very low30.3Very low52 Ų52112.6 Ų112.654%0.53672%0.722SS.*  trans-66.5165.6174.800000113.7D260 P264D260-G262 VanDerWaalsContact C-N 3.34Å; D260-G262 PolarHBondContact O-N 3.14Å; G262-P264 WeakPolarHBondContact O-CD 3.18Å
263D25.7Very low30.4Very low128 Ų128109.4 Ų109.468%0.68471%0.714SS**  trans-44.6110.9-170.9-77.4-49.9000115.8G265D263-G265 PolarHBondContact O-N 3.04Å; D263-G265 VanDerWaalsContact O-N 3.16Å
264P33.7Very low30.4Very low127 Ų127112.7 Ų112.783%0.82571%0.708SS**  trans-77.994.1158.3-2.122000107.6G262G262-P264 WeakPolarHBondContact O-CD 3.18Å
265G27.8Very low30.4Very low59 Ų59116 Ų11661%0.60871%0.707SS**  trans-69.2161.1-164.400000116.7D263D263-G265 PolarHBondContact O-N 3.04Å; D263-G265 VanDerWaalsContact O-N 3.16Å
266R28.8Very low30.3Very low234 Ų234113.1 Ų113.188%0.88370%0.7SS**  trans56.194.3159.7-58.5-178.9178.6-167.8-0.2117.3
267N27.6Very low30.3Very low150 Ų150121.1 Ų121.180%0.80271%0.707SS**  165.5153.3107-84.1-24.2000112.3
268C28.7Very low30Very low122 Ų122126.1 Ų126.182%0.82472%0.716SS**  trans63.8149.6163.7-60.40000117.9
269S29Very low29.7Very low98 Ų98124.7 Ų124.769%0.68572%0.715SS**  cis178.6136.1-37.345.20000108.7
270V32.2Very low30Very low124 Ų124131.8 Ų131.875%0.75275%0.745SS**  trans66.896.1144.2177.30000118.6
271T33.2Very low30.1Very low125 Ų125135.6 Ų135.677%0.76776%0.764SS**  trans65.3159.4139.766.40000119.6
272T34.7Very low30Very low128 Ų128133.3 Ų133.379%0.78576%0.76SS**  cis-144.1158.18-31.50000111.3
273L29.1Very low30.4Very low132 Ų132136.6 Ų136.669%0.69177%0.772SS**  trans-74.7145.3165.8-9970.9000112.4
274E29.2Very low31Very low149 Ų149136.9 Ų136.970%0.69678%0.781SS**  trans62.4159.6135.5-63.6-164.3128.700120.5
275Q26.9Very low31.1Very low166 Ų166134.3 Ų134.378%0.77678%0.777SS**  cis-158.7171.2-9.7-120.2-178.640.600108
276G29.8Very low31.4Very low67 Ų67139.1 Ų139.169%0.69179%0.789SS**  trans139.892.4146.100000121.7
277R27.6Very low31.7Very low244 Ų244139.1 Ų139.192%0.92179%0.789SS**  trans48.2110.6138.1-67.3178164.1-179-5.6121.6
278K32Very low32Very low199 Ų199135.1 Ų135.187%0.86578%0.783SS**  171.6119.3118.4-92.3163.9-177.1-176.90108.3
279A26.1Very low32.2Very low93 Ų93137.2 Ų137.277%0.76979%0.786SS**  67.989.159.200000113.8
280L34.5Very low32.9Very low179 Ų179137.8 Ų137.894%0.93779%0.786SS**  trans-153.5160.7154-141.876.7000110.6
281I30.1Very low33.6Very low161 Ų161134.3 Ų134.383%0.82678%0.775SS**PPolyproline II helixtrans-81.1139.4-172.4-67.2160.9000111.6
282G33.1Very low34.2Very low62 Ų62135.2 Ų135.264%0.63978%0.783SS**PPolyproline II helixtrans-95.2136.5162.400000111.3
283P38.8Very low34.4Very low122 Ų122137.1 Ų137.179%0.79278%0.78SS**PPolyproline II helixtrans-81.4154.5-17733-35.6000113.3
284P38.8Very low34.7Very low134 Ų134134.1 Ų134.187%0.8778%0.782SS**PPolyproline II helixtrans-92.1151174.40.520.2000113.5
285G34.8Very low34.9Very low72 Ų72137.3 Ų137.374%0.74279%0.789SS**  trans101139.5179.100000112.3
286D34.5Very low35.5Very low160 Ų160135.1 Ų135.186%0.85679%0.789SS**  cis-142.3-179.720.9-113.9-39.5000114.4
287R34.7Very low36Very low235 Ų235135.5 Ų135.589%0.88779%0.793SS**  trans-48.9154.6166.3-66.5166.4163.3138.1-8.6112.7
288G33.3Very low36.5Very low66 Ų66129.6 Ų129.668%0.6879%0.789SS**  cis117.6113.92.300000112.6
289D34.4Very low36.8Very low166 Ų166130 Ų13089%0.88879%0.791SS**  trans-108.6104.7-170.8-98-47.2000115.9
290T42.4Very low37.2Very low110 Ų110128.5 Ų128.568%0.67579%0.785SS**  trans-4.8115.9146.7-43.50000118.2
291G46.9Very low37.3Very low51 Ų51125.2 Ų125.253%0.52678%0.783SS.*PPolyproline II helixtrans-73157.6163.500000113.8
292P46.9Very low38.1Very low143 Ų143127 Ų12793%0.92979%0.786SS**PPolyproline II helixtrans-66.4135.4-177.627.2-34.3000112.4
293K37.5Very low38.3Very low168 Ų168127.2 Ų127.273%0.7379%0.787SS**PPolyproline II helixtrans-102.6148.8-175.3-66.7176.2179.61720112.9Y295K293-Y295 VanDerWaalsContact O-CE2 3.27Å; K293-Y295 WeakPolarHBondContact O-CE2 3.24Å
294G36.2Very low38.1Very low70 Ų70129.4 Ų129.472%0.72279%0.791SS**  trans83.1174.815600000115.6
295Y32.8Very low37.6Very low215 Ų215133.8 Ų133.884%0.84379%0.79SS**  cis-134.1-168.98.4-73-92.6000111K293K293-Y295 VanDerWaalsContact O-CE2 3.27Å; K293-Y295 WeakPolarHBondContact O-CE2 3.24Å
296P40.5Very low37.3Very low120 Ų120133.1 Ų133.178%0.77978%0.783SS**  -119160.6-101.728.3-6.8000114.3
297G39.3Very low37.2Very low76 Ų76132.6 Ų132.678%0.78478%0.778SS**PPolyproline II helixtrans-71.2160.5-172.600000116.1
298S38.1Very low37.3Very low120 Ų120129.4 Ų129.484%0.83978%0.779SS**PPolyproline II helixtrans-63.4132.7166.250.40000111.2
299K38.4Very low37.5Very low206 Ų206128 Ų12890%0.89677%0.765SS**PPolyproline II helixtrans-54.1141157.5-57.5160.8-172169.20107.2
300G35.9Very low38.2Very low63 Ų63126.2 Ų126.265%0.64976%0.76SS**  cis106.571.326.900000108.8K302G300-K302 PolarHBondContact O-N 3.31Å
301A36.8Very low38.4Very low109 Ų109129 Ų12990%0.90177%0.769SS**  trans-66.986.8165.400000108.7
302K45Very low38.6Very low200 Ų200129.7 Ų129.787%0.8778%0.776SS**  trans-91.2131.3162.7-77.5-169.7173-172.10108G300G300-K302 PolarHBondContact O-N 3.31Å
303G38.2Very low38.7Very low65 Ų65130.6 Ų130.667%0.6777%0.772SS**  trans123.197-169.500000109.1
304I35.2Very low39.5Very low169 Ų169127.6 Ų127.687%0.86777%0.769SS**SBendcis-64.1158.96.153177.3000115.3
305R27.7Very low40.1Very low226 Ų226128.2 Ų128.285%0.85378%0.776SS**  trans-79.9172.7167-74.8-178.8172.4163.9-2.4108.7
306G27.7Very low40.6Very low58 Ų58124.9 Ų124.960%0.59878%0.778SS**  44.99174.100000112
307I33.2Very low40.3Very low149 Ų149129.1 Ų129.176%0.76478%0.784SS**  -131.8140.888.640.9173.3000107.4
308D37Very low40.3Very low168 Ų168129 Ų12990%0.89878%0.782SS**  cis54.453.513.3-78.9-22.1000113.8
309G37.8Very low40.4Very low37 Ų37131.5 Ų131.538%0.38179%0.785SS.*  trans143.396.4167.200000116.9
310T47.9Very low40.7Very low127 Ų127127.2 Ų127.278%0.77978%0.779SS**  trans50.8134132.259.10000122.4
311I47.9Very low41.2Very low169 Ų169127.1 Ų127.187%0.86778%0.778SS**  trans87.5112.9155.8-56.5143.6000117
312G50.5Low41.6Very low65 Ų65128.3 Ų128.367%0.6778%0.776SS**  trans85158165.300000115.6
313L49Very low41.3Very low163 Ų163126.8 Ų126.885%0.85378%0.778SS**  cis-160.6165.8-10.9-91-169.7000107.4
314P54.4Low41.5Very low104 Ų104126.7 Ų126.768%0.67578%0.777SS**  -145121.4-61.437-15.4000115.9
315G48.7Very low41.8Very low83 Ų83125.4 Ų125.486%0.85678%0.779SS**  trans79.7-170.6166.700000115.9
316V44.3Very low42.7Very low146 Ų146123.3 Ų123.389%0.88578%0.784SS**  cis-136.7172.24.8-160.60000110.7
317K32.4Very low43.4Very low208 Ų208123.6 Ų123.690%0.90479%0.787SS**  trans-76.3159.9-168.3-54.1175.7178.6179.50116.4
318G39.8Very low43.7Very low73 Ų73122.9 Ų122.975%0.75379%0.792SS**  trans130.6142.6154.700000113.1
319L40.3Very low43.6Very low173 Ų173124.6 Ų124.691%0.90679%0.791SS**  cis-122.5169.21-80.9171.2000111.4
320P45.2Very low43.8Very low117 Ų117126.5 Ų126.576%0.7681%0.811SS**PPolyproline II helixtrans-82.9152-171.1-7.225.5000114.4
321G45.4Very low43.3Very low60 Ų60128.4 Ų128.462%0.61981%0.814SS**PPolyproline II helixtrans-85.5150.7152.200000110.4
322P45.6Very low42.6Very low135 Ų135130.7 Ų130.788%0.87782%0.818SS**PPolyproline II helixtrans-72.4143.3179.629.7-34.6000112.4
323D39Very low42Very low168 Ų168131 Ų13190%0.89882%0.821SS**PPolyproline II helixtrans-72.8133.5-176.8-69.6-60.4000113.6
324G43.4Very low41.3Very low63 Ų63129.5 Ų129.565%0.64982%0.824SS**PPolyproline II helixtrans-101132.9158.500000110.2
325P41.2Very low40.5Very low141 Ų141129.7 Ų129.792%0.91683%0.834SS**PPolyproline II helixtrans-70.7138.5-171.828-35000112.9
326L46.5Very low40.3Very low183 Ų183129 Ų12996%0.95883%0.828SS**  trans-120135.8-176.6-165.2103000112.3
327G41.1Very low39.8Very low63 Ų63131.6 Ų131.665%0.64983%0.83SS**  trans165.8155.2162.200000114.4
328P39.9Very low40.6Very low134 Ų134127.9 Ų127.987%0.8783%0.827SS**  cis-132.5157.4-37.637.4-24.3000112.8
329K34.3Very low40.8Very low205 Ų205127.7 Ų127.789%0.89183%0.825SS**  trans-134.7143.2166.4-138.7170.8-172.7174.60111
330G42.3Very low40.6Very low77 Ų77125.6 Ų125.679%0.79482%0.82SS**  trans-78.6173.1-164.800000116.4
331I37.3Very low40Very low166 Ų166130 Ų13085%0.85183%0.827SS**  trans-127.6132.9-161.742.4165.3000115.3
332K33.6Very low39.7Very low218 Ų218131.1 Ų131.195%0.94884%0.838SS**  trans177.2150.5143.3-104.8173179.5176.30108.7
333G37.4Very low39.4Very low71 Ų71128.6 Ų128.673%0.73284%0.837SS**  cis171.4175.9-1.900000109.7
334S35.5Very low39.4Very low131 Ų131130.4 Ų130.492%0.91684%0.84SS**  trans-152.1155.3-175.659.10000115.2
335A37.5Very low39.4Very low108 Ų108131 Ų13189%0.89385%0.845SS**  trans-148.6156.2165.400000108.2
336G45Very low39.3Very low69 Ų69131.7 Ų131.771%0.71183%0.83SS**  cis143155.12.900000110.1
337Q33.9Very low39.2Very low200 Ų200127.1 Ų127.194%0.93581%0.806SS**  trans-158157.1174.4-108162.523.400114.3
338P48.4Very low39.3Very low131 Ų131126.2 Ų126.285%0.85180%0.798SS**  trans-97.1-174.1-173.640.7-36.3000113.7
339G44.9Very low39.4Very low69 Ų69127.5 Ų127.571%0.71180%0.796SS**  cis-148-1376.900000111.6
340V35Very low39.7Very low129 Ų129125.5 Ų125.578%0.78279%0.793SS**  cis-150.6142.70.4174.50000108.9
341K33.3Very low39.6Very low209 Ų209125.2 Ų125.291%0.90979%0.791SS**  trans22.7139.8164.5-60175.7-179.3178.60121
342G39.3Very low39.6Very low83 Ų83125.3 Ų125.386%0.85679%0.793SS**  cis158.6154.3-300000113.4
343G39.3Very low39.7Very low83 Ų83126.2 Ų126.286%0.85679%0.791SS**  trans-178.1154.9177.700000113.3
344Q39.1Very low39.8Very low206 Ų206125.8 Ų125.896%0.96379%0.786SS**  trans-100.9156.5-177.7-60.9163.2-34.400110.4
345G42.9Very low39.8Very low74 Ų74125.6 Ų125.676%0.76378%0.782SS**  cis-168.5-167.9-3.800000108
346R39.7Very low40.1Very low156 Ų156126 Ų12659%0.58978%0.775SS**  cis-166.5-168.96.9-147.7-160.4-167.3-171.412106.3G867 K869 G870R346-G867 CarbonylContact C-O 3.14Å; R346-G867 WeakPolarHBondContact CA-O 3.01Å; R346-G867 WeakPolarHBondContact CB-O 3.5Å; R346-G867 CarbonylContact O-C 3.59Å; R346-G867 VanDerWaalsContact O-C 3.28Å; R346-G867 WeakPolarHBondContact O-CA 3.36Å; R346-K869 VanDerWaalsContact CD-N 3.32Å; R346-K869 HydrophobicContact CG-CB 3.67Å; R346-K869 PolarHBondContact NE-O 3.32Å; R346-K869 PolarHBondContact NH1-O 2.92Å; R346-G870 PolarHBondContact NH1-O 2.88Å
347D44.4Very low39.8Very low87 Ų87125.9 Ų125.947%0.46577%0.774SS.*  trans-109.7155.5-156.1-37.3-8.7000122.7G867 P868 K869D347-G867 CarbonylContact O-C 3.4Å; D347-G867 VanDerWaalsContact O-C 3.3Å; D347-G867 WeakPolarHBondContact O-CA 3.45Å; D347-P868 VanDerWaalsContact N-C 3.28Å; D347-P868 CarbonylContact O-C 3.3Å; D347-P868 WeakPolarHBondContact O-CA 3.28Å; D347-K869 HydrophobicContact CB-CB 4.24Å; D347-K869 VanDerWaalsContact CG-CB 3.41Å; D347-K869 WeakPolarHBondContact OD2-CB 3.05Å; D347-K869 WeakPolarHBondContact OD2-CD 3.44Å; D347-K869 WeakPolarHBondContact OD2-CG 3.27Å
348G43.1Very low40.3Very low45 Ų45122.7 Ų122.746%0.46477%0.771SS.*  trans134.9140.9152.200000117.6
349L40.8Very low39.8Very low160 Ų160126.1 Ų126.184%0.83877%0.772SS**  cis-147.4136.14.7-86.1168.9000114
350I41.6Very low39.7Very low163 Ų163126.6 Ų126.684%0.83678%0.777SS**  trans42.4124.6146-56.8177.3000121.7
351G39.9Very low39.9Very low72 Ų72128.2 Ų128.274%0.74278%0.78SS**  trans-158.697.2154.700000111.8
352D36.8Very low40.6Very low168 Ų168123.7 Ų123.790%0.89877%0.772SS**  trans51.8161.2170.9-64.1-19.8000121.7
353R34.9Very low40.7Very low237 Ų237123.6 Ų123.689%0.89477%0.771SS**  trans-135.796.1-148.6-176.2-175-179.7-175.50.4113.9
354G39.5Very low40.6Very low62 Ų62126.8 Ų126.864%0.63977%0.769SS**PPolyproline II helixtrans-84.1141.5154.500000110.6P356G354-P356 VanDerWaalsContact O-CD 3.27Å; G354-P356 WeakPolarHBondContact O-CD 3.37Å
355P37.2Very low40.5Very low126 Ų126122.8 Ų122.882%0.81876%0.761SS**PPolyproline II helixtrans-74.2120.5-170.328.1-34.4000113.2
356P43.7Very low40.6Very low116 Ų116123.2 Ų123.275%0.75377%0.765SS**PPolyproline II helixtrans-75.9127.1166.8-9.527.7000109.6G354G354-P356 VanDerWaalsContact O-CD 3.27Å; G354-P356 WeakPolarHBondContact O-CD 3.37Å
357G37.6Very low40.4Very low68 Ų68120.5 Ų120.570%0.70178%0.776SS**PPolyproline II helixtrans-66.7134.9165.200000110.2
358P44Very low39.8Very low132 Ų132124.5 Ų124.586%0.85780%0.797SS**PPolyproline II helixtrans-67.2138-177.227.1-34.1000111.6
359K39.3Very low39.6Very low204 Ų204125.8 Ų125.889%0.88781%0.811SS**PPolyproline II helixtrans-80.9147155.6-77.7-173.8173.8-177.50108.6
360G41.5Very low39.5Very low78 Ų78126.9 Ų126.980%0.80482%0.817SS**PPolyproline II helixtrans-62.5152.8-172.800000114.5
361L41Very low39.2Very low163 Ų163128.5 Ų128.585%0.85381%0.812SS**PPolyproline II helixtrans-76146167-70.8164.3000110
362P46.7Very low39.1Very low114 Ų114128.4 Ų128.474%0.7481%0.811SS**PPolyproline II helixtrans-61153.1161.1-17.632.1000110.6
363G40.9Very low39.1Very low81 Ų81130.5 Ų130.584%0.83581%0.813SS**PPolyproline II helixtrans-70.9137.5-175.600000114
364D37.7Very low39Very low151 Ų151125.9 Ų125.981%0.80781%0.811SS**PPolyproline II helixtrans-77.9158.7170.5-71-60.2000112.1
365P37.6Very low39.2Very low121 Ų121125.9 Ų125.979%0.78681%0.811SS**PPolyproline II helixtrans-73.5153.4-176.4-1531.4000113.5
366G44.7Very low38.9Very low83 Ų83127.5 Ų127.586%0.85681%0.812SS**PPolyproline II helixtrans-72.5151173.300000113.2
367A35.2Very low38.3Very low99 Ų99127.5 Ų127.582%0.81881%0.813SS**  trans-140.1140.4172.100000111
368D32.3Very low38.1Very low171 Ų171127.6 Ų127.691%0.91481%0.814SS**  trans-59.7152.8-168.4-48.6-60.6000115.6
369G39.7Very low37.6Very low73 Ų73130 Ų13075%0.75381%0.814SS**  trans-102.2158.5169.800000112.8
370L37.6Very low37.3Very low183 Ų183125.8 Ų125.896%0.95881%0.807SS**  trans-143.7173.2170.4-111.2175.8000113.2
371R35.4Very low36.7Very low196 Ų196125.8 Ų125.874%0.7481%0.807SS**  trans-96.5146.7-158.2-169.1174.9-178.2166.2-2.7112.3G413R371-G413 PolarHBondContact NH1-O 3.23Å
372G38.7Very low36.3Very low70 Ų70121.6 Ų121.672%0.72280%0.803SS**  trans-80.8-172.8-178.300000115.4
373F36Very low35.6Very low212 Ų212121.9 Ų121.993%0.9380%0.803SS**  trans-117.2161.5-179.8-86.9-85.1000113.5
374V32.1Very low35.2Very low141 Ų141123.4 Ų123.486%0.85580%0.796SS**  trans-93.2154.7-178-179.90000109.8
375G43.4Very low35Very low62 Ų62124.1 Ų124.164%0.63979%0.794SS**  trans-108.8173.8173.400000113
376D31.2Very low34.7Very low159 Ų159123.8 Ų123.885%0.8579%0.794SS**  trans-159.2161.1179.7-91.9-47.8000109.1
377P32.2Very low33.9Very low117 Ų117126.8 Ų126.876%0.7680%0.796SS**  cis-132.8-177.9-22.436.9-18.7000113.7
378G32.3Very low33.7Very low70 Ų70125.8 Ų125.872%0.72279%0.794SS**  trans-79-167164.900000113.1
379E33.2Very low33.6Very low183 Ų183125.3 Ų125.386%0.85579%0.79SS**  cis-161.2-158.56.8-131.6-163.3-15400107.3
380P34.3Very low33.1Very low115 Ų115129.7 Ų129.775%0.74780%0.796SS**  cis-131179.37.441.2-21.4000117
381G28.8Very low32.7Very low78 Ų78127.1 Ų127.180%0.80479%0.79SS**  trans-80.7-157.3-176.300000117.2
382G31.7Very low32.4Very low74 Ų74121.5 Ų121.576%0.76379%0.793SS**  cis-153.9-149.73.500000110.8
383T32.4Very low32.5Very low121 Ų121130.1 Ų130.174%0.74280%0.804SS**  cis-157.61714.956.20000110.3
384T33Very low32.3Very low113 Ų113126.3 Ų126.369%0.69380%0.8SS**  trans62.8142.8153.647.70000119.3
385E32.4Very low32.4Very low165 Ų165123.2 Ų123.277%0.77180%0.797SS**  cis-163157.6-2.5-128.9170.4-154.400114.6
386C31.3Very low32Very low115 Ų115130.2 Ų130.278%0.77781%0.813SS**  trans63.9164.1149.8-75.90000123.9
387T28.8Very low32.2Very low146 Ų146134 Ų13490%0.89682%0.816SS**  trans-131.3155.8-161.349.40000113
388G31.4Very low32.6Very low77 Ų77131.4 Ų131.479%0.79481%0.81SS**  trans-175.780.3-178.800000118.2
389I30.4Very low33Very low161 Ų161136.3 Ų136.383%0.82682%0.818SS**  trans7.5115.8156-53.8175.3000119.5
390L27.8Very low33.6Very low165 Ų165132.9 Ų132.986%0.86481%0.812SS**  trans25.2119147-60.5172.3000120.2
391P30.8Very low34Very low129 Ų129130 Ų13084%0.83880%0.803SS**  -145.8156.4115.638.2-25.3000116.2
392G29.4Very low35Very low79 Ų79135.6 Ų135.681%0.81481%0.808SS**  trans90.6132.3154.400000118.7
393R39.7Very low35.7Very low251 Ų251138 Ų13895%0.94781%0.81SS**  trans-74.8145.6162.6-70.3-179.4170.7-173.3-3109.5
394P31.8Very low36.3Very low131 Ų131135.7 Ų135.785%0.85181%0.811SS**  -150.9173.398.139.7-23.6000115.7
395G34.6Very low36.8Very low77 Ų77139.9 Ų139.979%0.79482%0.823SS**  trans107.5114.4156.200000116.5
396Q35.1Very low37.4Very low208 Ų208141.6 Ų141.697%0.97283%0.827SS**  trans-75.8143.3160.4-75.4174.9-34.300109.9
397R34.6Very low38Very low239 Ų239139.7 Ų139.790%0.90283%0.827SS**  trans-141.7149.1162.1-175.9168-81.4-146.5-3.4108.3
398G40.7Very low38.6Very low63 Ų63142.7 Ų142.765%0.64983%0.828SS**PPolyproline II helixtrans-64.9166.4-167.700000115.7P400G398-P400 WeakPolarHBondContact O-CD 3.39Å
399I41.9Very low39.5Very low172 Ų172144.8 Ų144.888%0.88283%0.828SS**PPolyproline II helixtrans-64.1123.9-176.9-57.3169.1000110.4
400P44.4Very low40.1Very low112 Ų112140.7 Ų140.773%0.72783%0.825SS**PPolyproline II helixtrans-75143.3165.8-12.829.7000111.3G398G398-P400 WeakPolarHBondContact O-CD 3.39Å
401G43.7Very low41.1Very low54 Ų54141 Ų14156%0.55783%0.826SS**PPolyproline II helixtrans-65.9155.117500000113.8
402E48.6Very low42.2Very low196 Ų196141 Ų14192%0.91683%0.826SS**PPolyproline II helixtrans-76.4134.2-173.3-64.6-171.7127.500113.3
403P47.8Very low42.7Very low124 Ų124139.6 Ų139.681%0.80581%0.812SS**PPolyproline II helixtrans-74.3133.2172.6-15.930.9000112.7
404G43.5Very low43Very low73 Ų73133.1 Ų133.175%0.75381%0.805SS**PPolyproline II helixtrans-66.2154.9174.400000114.5
405E45.1Very low44.3Very low201 Ų201134.7 Ų134.794%0.93980%0.804SS**PPolyproline II helixtrans-69.5157.1-169.9-59.3-170.4119.800115.2
406K44.3Very low44.7Very low201 Ų201134 Ų13487%0.87480%0.797SS**PPolyproline II helixtrans-103131.2177.5-71.9-178.3177.4176.80112
407G43.9Very low45Very low75 Ų75132.1 Ų132.177%0.77379%0.794SS**PPolyproline II helixtrans-68.7160170.400000114.1
408F41.1Very low45.8Very low208 Ų208131.7 Ų131.791%0.91279%0.792SS**PPolyproline II helixtrans-77.4153.5-170.3-67.1-88.1000114.8
409P50.7Low46Very low122 Ų122132 Ų13279%0.79280%0.796SS**PPolyproline II helixtrans-87.3150.4-177.9-424.1000114.3
410G42.1Very low46.2Very low75 Ų75132.4 Ų132.477%0.77380%0.798SS**PPolyproline II helixtrans-81.4161.9171.100000114.6
411I50.6Low46Very low172 Ų172136.4 Ų136.488%0.88280%0.804SS**PPolyproline II helixtrans-86146.5-167.6-62.2174.6000112.4
412P52.3Low46.1Very low127 Ų127137.1 Ų137.183%0.82581%0.812SS**PPolyproline II helixtrans-100.3162.1-168.26.915.2000115.5
413G40.9Very low45.8Very low51 Ų51136.1 Ų136.153%0.52681%0.812SS.*  trans-172.3158.616300000111.5R371R371-G413 PolarHBondContact NH1-O 3.23Å
414S45.5Very low45.6Very low114 Ų114136.6 Ų136.680%0.79781%0.812SS**  cis-132.8174.6-21.153.50000108.3
415I58.2Low45.6Very low164 Ų164136.4 Ų136.484%0.84181%0.81SS**  trans-88.2141.9-166.2-67173.5000112.4
416G43.3Very low45.4Very low62 Ų62132.6 Ų132.664%0.63980%0.803SS**  trans-112.6161.2161.100000111.1
417D42.7Very low45Very low170 Ų170131.5 Ų131.591%0.90980%0.801SS**  trans-80.9176.1-149.9-78.1-67.2000119.3
418R51.7Low44.8Very low230 Ų230131.4 Ų131.487%0.86880%0.8SS**  trans-107.7130.3-145.2-174.6-172-163.51698.9114.4
419G44.2Very low45.2Very low70 Ų70126.4 Ų126.472%0.72279%0.789SS**PPolyproline II helixtrans-74.9151.816500000113.6
420L45.2Very low44.6Very low179 Ų179127.8 Ų127.894%0.93780%0.795SS**PPolyproline II helixtrans-89.5161.9-168.2-75.5165.4000115.3
421K40.9Very low44.3Very low196 Ų196127.1 Ų127.185%0.85279%0.787SS**PPolyproline II helixtrans-74.8142.6-176.5-102.2-172.5174.3-174.20113.9
422G45Very low44.2Very low70 Ų70127.2 Ų127.272%0.72279%0.79SS**PPolyproline II helixtrans-80.3164.1149.200000112.2
423L42.5Very low43.6Very low174 Ų174127.3 Ų127.391%0.91179%0.79SS**  trans-112.2170.5-171.2-77.2167.6000114.2
424V44Very low43.3Very low134 Ų134128.4 Ų128.481%0.81280%0.801SS**  trans-86.4146.5-166.3176.40000113
425G42.9Very low42.8Very low69 Ų69132.2 Ų132.271%0.71180%0.804SS**  trans-109.3135.8160.700000111.6
426P41.1Very low41.9Very low121 Ų121132.1 Ų132.179%0.78681%0.805SS**  trans-101.7142.4-17136.7-34.2000116.2
427Q35.7Very low41.3Very low179 Ų179134.3 Ų134.384%0.83681%0.809SS**  trans34.8133.5144.8-170.4171.733.300122.7
428G41.1Very low41.3Very low73 Ų73131.9 Ų131.975%0.75380%0.803SS**  trans-154.8123.6148.300000111.9
429P49.4Very low40.8Very low103 Ų103129.3 Ų129.367%0.66981%0.805SS**  trans-102.6-172.2172.239.3-32.3000112.5
430V37.7Very low40.8Very low151 Ų151128.5 Ų128.592%0.91580%0.796SS**  trans84128.8-180-172.60000114.1
431G35.3Very low40.4Very low60 Ų60126 Ų12662%0.61979%0.791SS**  cis167.6160.1-8.300000113.8
432D48.4Very low40.7Very low175 Ų175122.8 Ų122.894%0.93679%0.79SS**  trans-91124.9-178.1-60.6-58.6000113.5
433P41.1Very low40.7Very low129 Ų129122.6 Ų122.684%0.83879%0.787SS**  trans-142.1155.5136.136.4-22.7000112.5
434G33.2Very low40.6Very low73 Ų73120.3 Ų120.375%0.75378%0.783SS**  cis-172.7-178.61.400000111
435F36.1Very low40.9Very low195 Ų195120.3 Ų120.386%0.85579%0.786SS**  trans-78.6151-173.6-76.8-107.8000114.1
436D38.2Very low41.2Very low161 Ų161120.1 Ų120.186%0.86178%0.784SS**  -168.7174.4110.8-107-28000114.3
437C30.2Very low41.1Very low108 Ų108120.8 Ų120.873%0.7379%0.788SS**  trans-113.3-152.1-166.5-63.40000113.3
438P43.3Very low41.5Very low120 Ų120122.5 Ų122.578%0.77979%0.793SS**  -121.7159.4-79.734.9-22000114.4
439I41.7Very low41.5Very low176 Ų176122.6 Ų122.690%0.90379%0.794SS**  trans-133.5140.1161.6-64-175.9000109.8
440G43.7Very low41.1Very low52 Ų52123.1 Ų123.154%0.53680%0.8SS.*  trans-83.2-178.3-172.500000116.1P442G440-P442 WeakPolarHBondContact O-CD 3.3Å
441P37.7Very low41.6Very low128 Ų128122.4 Ų122.483%0.83180%0.798SS**  trans-71.8125.8-170.828.2-34.9000113.2
442P45.6Very low42Very low128 Ų128123.1 Ų123.183%0.83181%0.806SS**  trans-65.4143.5168.1-21.334.7000112.1G440G440-P442 WeakPolarHBondContact O-CD 3.3Å
443G46.5Very low41.7Very low65 Ų65123 Ų12367%0.6781%0.805SS**  trans-77.5-178.5-173.500000116
444P39.1Very low42.1Very low127 Ų127125 Ų12583%0.82581%0.809SS**SBendtrans-65.8158.7-176.127.4-35.2000113.6
445P51.9Low42.6Very low134 Ų134125 Ų12587%0.8781%0.809SS**PPolyproline II helixtrans-66.8135.7-161.7-2435.5000116
446G47.6Very low42.9Very low64 Ų64127.8 Ų127.866%0.6681%0.814SS**PPolyproline II helixtrans-75.7165.3164.800000113.4
447P40.5Very low43.3Very low135 Ų135127.2 Ų127.288%0.87782%0.816SS**PPolyproline II helixtrans-71.8157.6-170.828.9-35.6000114.7G449P447-G449 PolarHBondContact O-N 2.8Å
448K43.9Very low44.2Very low216 Ų216125.1 Ų125.194%0.93981%0.813SS**  trans-85.1107.3-165.9-176.3-176.6177.9-179.30114.7
449G40.8Very low44.3Very low75 Ų75127.6 Ų127.677%0.77382%0.819SS**  99.5159.8121.800000120.3P447P447-G449 PolarHBondContact O-N 2.8Å
450S41.1Very low44.8Very low114 Ų114124.9 Ų124.980%0.79781%0.812SS**  trans-137.7135162.951.80000107.9
451P47.6Very low45.1Very low135 Ų135125.7 Ų125.788%0.87782%0.821SS**  trans-85.3139.1-171.2-9.727.7000114.2
452G43.4Very low45.5Very low76 Ų76127.7 Ų127.778%0.78482%0.824SS**  trans70.1112140.400000119.8
453D42.5Very low45.9Very low172 Ų172127.1 Ų127.192%0.9282%0.82SS**  trans-104.5142.4141.3-84.5-50.7000108.3
454D50.3Low46.1Very low172 Ų172127.3 Ų127.392%0.9282%0.822SS**  trans-83.6143.4-173.5-83.3-45.6000114.2
455G43Very low46.5Very low73 Ų73126.5 Ų126.575%0.75382%0.819SS**  trans68.591.9141.900000119.1
456R42.7Very low46.5Very low253 Ų253125.6 Ų125.696%0.95581%0.814SS**  -110.6132.5126.6-79.6-166.5173.7-161.7-1.3109.5G458R456-G458 PolarHBondContact O-N 3.05Å
457T46.7Very low46.6Very low148 Ų148125.6 Ų125.691%0.90881%0.813SS**PPolyproline II helixtrans-59.5128.5-177.912.50000110.9
458G48.6Very low46.9Very low64 Ų64127 Ų12766%0.6681%0.813SS**PPolyproline II helixtrans-65.9146.2172.900000111.4R456R456-G458 PolarHBondContact O-N 3.05Å
459L45Very low47.1Very low173 Ų173124.1 Ų124.191%0.90681%0.808SS**PPolyproline II helixtrans-60.3128.1161.6-77.9166.5000108.1G461L459-G461 PolarHBondContact O-N 2.74Å
460P52.3Low47.4Very low118 Ų118123.9 Ų123.977%0.76681%0.806SS**PPolyproline II helixtrans-56.9135.1172.3-23.734.1000109.9L462P460-L462 PolarHBondContact O-N 3.46Å
461G50.6Low47.5Very low70 Ų70126.4 Ų126.472%0.72281%0.81SS**PPolyproline II helixtrans-57133.9170.300000109.5L459 P463L459-G461 PolarHBondContact O-N 2.74Å; G461-P463 WeakPolarHBondContact O-CD 3.46Å
462L45Very low47.7Very low170 Ų170125.4 Ų125.489%0.8980%0.803SS**PPolyproline II helixtrans-51.3124.1174.5-84164.4000108.7P460 G464P460-L462 PolarHBondContact O-N 3.46Å; L462-G464 PolarHBondContact O-N 2.99Å
463P54.4Low48Very low116 Ų116125.2 Ų125.275%0.75380%0.801SS**PPolyproline II helixtrans-55.2133.6174.1-24.834.4000109.3G461 S465G461-P463 WeakPolarHBondContact O-CD 3.46Å; P463-S465 PolarHBondContact O-N 3.42Å
464G51.3Low47.9Very low69 Ų69124.9 Ų124.971%0.71180%0.799SS**PPolyproline II helixtrans-53.6136.8167.400000108.8L462 P466L462-G464 PolarHBondContact O-N 2.99Å; G464-P466 VanDerWaalsContact O-N 3.16Å
465S47.4Very low47.4Very low109 Ų109126.5 Ų126.576%0.76280%0.798SS**PPolyproline II helixtrans-46.2122.5-179.249.10000109.9P463 G467P463-S465 PolarHBondContact O-N 3.42Å; S465-G467 PolarHBondContact O-N 3.01Å
466P52.5Low47.4Very low116 Ų116126.4 Ų126.475%0.75380%0.797SS**PPolyproline II helixtrans-49.9132.5167.7-24.834.5000108.3G464 D468G464-P466 VanDerWaalsContact O-N 3.16Å; P466-D468 PolarHBondContact O-N 2.85Å
467G49.8Very low47.1Very low63 Ų63123.6 Ų123.665%0.64979%0.794SS**PPolyproline II helixtrans-61.9139.2173.300000108.8S465 D469S465-G467 PolarHBondContact O-N 3.01Å; G467-D469 PolarHBondContact O-N 3.06Å
468D45.5Very low46.6Very low164 Ų164122.4 Ų122.488%0.87779%0.79SS**PPolyproline II helixtrans-52.1117.3-179.9-64.3-65.2000110.1P466 G470P466-D468 PolarHBondContact O-N 2.85Å; D468-G470 PolarHBondContact O-N 2.86Å; D468-G470 VanDerWaalsContact O-N 3.13Å
469D47.6Very low45.8Very low156 Ų156122.7 Ų122.783%0.83479%0.792SS**PPolyproline II helixtrans-59.1119.6176.6-81.8-51.2000108.1G467 L471G467-D469 PolarHBondContact O-N 3.06Å; D469-L471 PolarHBondContact O-N 3.45Å
470G47.1Very low45.6Very low71 Ų71123 Ų12373%0.73279%0.793SS**PPolyproline II helixtrans-55.6125.3-17900000110.1D468D468-G470 PolarHBondContact O-N 2.86Å; D468-G470 VanDerWaalsContact O-N 3.13Å
471L44.8Very low44.8Very low166 Ų166120.2 Ų120.287%0.86979%0.785SS**  trans-38.4120.9-172.9-77.5171000111.3D469 G473D469-L471 PolarHBondContact O-N 3.45Å; L471-G473 PolarHBondContact O-N 2.97Å
472P50.6Low44.4Very low115 Ų115126.5 Ų126.575%0.74780%0.795SS**PPolyproline II helixtrans-54117.9-179.4-27.835.2000110.4D474P472-D474 PolarHBondContact O-N 3.44Å
473G50.1Low43.9Very low71 Ų71130.4 Ų130.473%0.73280%0.798SS**PPolyproline II helixtrans-61.5125.5-179.200000110.6L471 K475L471-G473 PolarHBondContact O-N 2.97Å; G473-K475 PolarHBondContact O-N 3.23Å; G473-K475 VanDerWaalsContact O-N 3.14Å
474D41.6Very low43Very low165 Ų165128.4 Ų128.488%0.88280%0.799SS**PPolyproline II helixtrans-53.6119.3179.4-71.6-55.9000110.7P472 G476P472-D474 PolarHBondContact O-N 3.44Å; D474-G476 PolarHBondContact O-N 2.92Å
475K38.3Very low42.6Very low207 Ų207129.9 Ų129.990%0.981%0.805SS**  trans-72.1100.3172.5-84.3-175.9173.9177.60108.5G473G473-K475 PolarHBondContact O-N 3.23Å; G473-K475 VanDerWaalsContact O-N 3.14Å
476G43.7Very low42.3Very low70 Ų70131.2 Ų131.272%0.72281%0.811SS**  trans-58.3141.2177.400000113.2D474D474-G476 PolarHBondContact O-N 2.92Å
477E36.4Very low41.6Very low194 Ų194129 Ų12991%0.90781%0.809SS**  trans-84.1154.6170.4-70.8-160.2122.400112.1
478P35.8Very low41Very low124 Ų124133.6 Ų133.681%0.80582%0.819SS**  trans-129.7135.7-149.431.8-11.2000116.7
479G32.7Very low41.2Very low69 Ų69132 Ų13271%0.71182%0.817SS**  trans105.4168.2140.100000118.4
480I39.6Very low40.8Very low181 Ų181128.4 Ų128.493%0.92882%0.817SS**  trans68.3119.1-170.1-45.5168.9000111.1
481G36.7Very low40.5Very low58 Ų58133.2 Ų133.260%0.59883%0.826SS**  cis147.9124.311.200000105.9
482H41.1Very low40.5Very low203 Ų203135.5 Ų135.594%0.9482%0.823SS**  -155.3-168.585.3-86.1-79.2000112.2
483R35.6Very low40Very low251 Ų251133.1 Ų133.195%0.94782%0.819SS**  trans-135.3138.1-153.6172.8-158-118.1-173.3-0.7113.1
484G35.5Very low39.7Very low75 Ų75139.8 Ų139.877%0.77382%0.824SS**  trans131.8141158.800000113.7
485A42Very low40Very low100 Ų100139.8 Ų139.883%0.82682%0.824SS**  cis-145.4161.3-1.400000111.4
486P42.1Very low40.7Very low137 Ų137132.8 Ų132.889%0.8981%0.81SS**  trans-107.6159.7-170.440-33.6000115.7
487G37.2Very low40.8Very low70 Ų70135.9 Ų135.972%0.72282%0.817SS**  trans140.8138.8174.200000110.5
488D36.6Very low41.2Very low159 Ų159136 Ų13685%0.8582%0.818SS**  cis-120.3164.97.8-74.4-43.4000113.3
489P50.1Low42.1Very low131 Ų131132.4 Ų132.485%0.85180%0.804SS**PPolyproline II helixtrans-69.9148176.3-16.532.1000113.4
490G38.3Very low42.6Very low80 Ų80135.6 Ų135.683%0.82581%0.812SS**PPolyproline II helixtrans-95164-176.400000115.5
491D41.3Very low43.2Very low171 Ų171137 Ų13791%0.91481%0.811SS**PPolyproline II helixtrans-92.2164.6177.2-115.4-44.4000113.7
492R45.7Very low44Very low214 Ų214136.8 Ų136.881%0.80881%0.809SS**PPolyproline II helixtrans-70.4131.6-162.6-162.6-179.2-166.8155.21.3114.3
493G40.4Very low43.9Very low65 Ų65133.6 Ų133.667%0.6781%0.807SS**PPolyproline II helixtrans-69.8151.7168.300000113.1
494Y43.2Very low44.6Very low212 Ų212131.9 Ų131.983%0.83181%0.806SS**  trans-110147.8167.8-72.6-86.2000109.6G496Y494-G496 PolarHBondContact O-N 2.65Å
495D48.6Very low45.2Very low165 Ų165131.9 Ų131.988%0.88281%0.807SS**PPolyproline II helixtrans-66.5128.4-164.6-57.8-68.5000113.2
496G51.6Low44.9Very low60 Ų60135.6 Ų135.662%0.61981%0.811SS**PPolyproline II helixtrans-70.1153.2169.700000111.5Y494 Q498Y494-G496 PolarHBondContact O-N 2.65Å; G496-Q498 PolarHBondContact O-N 3.4Å
497P46.8Very low44.7Very low134 Ų134137.1 Ų137.187%0.8780%0.804SS**PPolyproline II helixtrans-57.2129.8177.824.6-33.9000110.4G499P497-G499 PolarHBondContact O-N 3.06Å
498Q45.3Very low44.9Very low196 Ų196137.2 Ų137.292%0.91681%0.805SS**  trans-67.898.3-172.9-172.7175.619.300110.9G496G496-Q498 PolarHBondContact O-N 3.4Å
499G54.8Low44.9Very low50 Ų50136 Ų13652%0.51579%0.794SS.*  trans-60150.6177.800000112.7P497 K501P497-G499 PolarHBondContact O-N 3.06Å; G499-K501 PolarHBondContact O-N 3.34Å
500P43.2Very low44.2Very low135 Ų135140.5 Ų140.588%0.87779%0.794SS**  trans-59127179.824.7-33.8000110.5G502P500-G502 PolarHBondContact O-N 3.42Å
501K51.9Low44.1Very low210 Ų210140 Ų14091%0.91379%0.79SS**  trans-73.592.7-172.4-172.8-178.6179.2-177.70111.1G499G499-K501 PolarHBondContact O-N 3.34Å
502G53.3Low43.9Very low54 Ų54139.9 Ų139.956%0.55779%0.788SS**  trans-57.3150.6174.900000113.3P500P500-G502 PolarHBondContact O-N 3.42Å
503P38.7Very low43.7Very low137 Ų137135.6 Ų135.689%0.8979%0.788SS**  trans-70149.5-177.729.8-35.4000112
504K50.2Low43.7Very low214 Ų214136.3 Ų136.393%0.9380%0.795SS**  trans-133.5138.1170.3-144.6174.9-173.8-178.60109.4
505G47Very low43.5Very low76 Ų76132.3 Ų132.378%0.78479%0.793SS**  trans-85.4-176.9-159.300000117.7
506L36Very low42.9Very low177 Ų177134.3 Ų134.393%0.92779%0.794SS**  trans-80.7177.3174.5-53.2162.7000109.7
507K38.8Very low42.4Very low170 Ų170134.7 Ų134.774%0.73980%0.798SS**  cis-153.11635.9-163.5-168.3167.9-163.60109E509K507-E509 WeakPolarHBondContact CE-OE1 2.91Å; K507-E509 IonicContact NZ-OE1 2.66Å; K507-E509 PolarHBondContact NZ-OE1 3.11Å
508G41.7Very low42.1Very low72 Ų72134.3 Ų134.374%0.74280%0.798SS**  trans-174.7132.3165.400000113.8
509E35.3Very low41.7Very low132 Ų132128.8 Ų128.862%0.61779%0.794SS**  trans-106.1168.8179.5-64.3168.2-164.300109.7K507K507-E509 WeakPolarHBondContact CE-OE1 2.91Å; K507-E509 IonicContact NZ-OE1 2.66Å; K507-E509 PolarHBondContact NZ-OE1 3.11Å
510R36.1Very low40.8Very low226 Ų226137.9 Ų137.985%0.85381%0.813SS**  cis-167.3153.136.7178.9179.6-67.1178.50.3111.1
511G37.3Very low40.5Very low71 Ų71137.9 Ų137.973%0.73281%0.812SS**  trans-178.9115.8166.500000114.5
512L36.7Very low39.8Very low167 Ų167131.1 Ų131.187%0.87480%0.803SS**  trans-142.1166179.9-71.7173.9000108.7
513P41Very low39.5Very low125 Ų125134.5 Ų134.581%0.81282%0.815SS**  cis-129.2174.8-29.636.2-20.4000112.7
514G40.9Very low39.8Very low79 Ų79134.6 Ų134.681%0.81482%0.815SS**  trans-158.1137.3169.600000111.7
515T39Very low39.6Very low128 Ų128128 Ų12879%0.78581%0.808SS**  trans-106.2151.5-161.759.30000116.1
516K35Very low39Very low207 Ų207132.2 Ų132.290%0.981%0.807SS**  trans87.6131.9165.2-57.7-177.5178.3179.50117.5
517G41.5Very low39.5Very low69 Ų69132.3 Ų132.371%0.71180%0.8SS**  trans104.3138.715400000116.1
518S41.3Very low40Very low125 Ų125127.8 Ų127.887%0.87480%0.802SS**  trans47113.116251.80000118.3
519G35Very low40Very low80 Ų80131.5 Ų131.583%0.82580%0.8SS**  trans-74.9175-172.700000117
520R37.1Very low40.2Very low242 Ų242135.9 Ų135.991%0.91381%0.811SS**  trans-128.1154.9156.5-81.9-174.2169.7-171.6-3.6109.5
521P36.6Very low40.3Very low134 Ų134128.7 Ų128.787%0.8781%0.807SS**PPolyproline II helixtrans-72.7155.9-167.2-1833.8000114.1
522G37.6Very low40.4Very low69 Ų69133 Ų13371%0.71181%0.812SS**PPolyproline II helixtrans-90.9169.7-169.900000116.5
523P46.9Very low40.5Very low124 Ų124132.1 Ų132.181%0.80581%0.808SS**PPolyproline II helixtrans-81.8168174.935.1-35.8000113.3
524P44.8Very low40.4Very low139 Ų139130 Ų13090%0.90381%0.81SS**PPolyproline II helixtrans-75.9172.7-178.7-12.329.8000113.8
525G45.4Very low40.5Very low75 Ų75135.2 Ų135.277%0.77382%0.817SS**  trans-149140.9176.500000116.2
526E36.1Very low40.7Very low166 Ų166134.1 Ų134.178%0.77682%0.822SS**  trans-126.4174142.5-63.3-159.4159.400105.9
527K45.7Very low41.1Very low179 Ų179127.5 Ų127.578%0.77881%0.812SS**  cis-154.3151.611.4-155.1-176.5-164.985.80109.3
528G49.1Very low40.9Very low75 Ų75133 Ų13377%0.77382%0.816SS**  trans-174127.617000000112.7
529E42.7Very low40.8Very low149 Ų149134.8 Ų134.870%0.69681%0.811SS**  trans-88.5162167.9-46.6-177.4-173.200109.5
530R39.4Very low41.1Very low225 Ų225134 Ų13485%0.84980%0.803SS**  cis-154.7135.19.6-156.6176.2-72.2-180-3.4109.3
531G37.5Very low41Very low74 Ų74133.1 Ų133.176%0.76381%0.805SS**  trans162143.1177.100000111.7
532L38.5Very low41.2Very low161 Ų161135.3 Ų135.384%0.84380%0.804SS**  trans-76.6149.4-165.5-79.8167000115.7
533D39Very low41.4Very low150 Ų150134.9 Ų134.980%0.80280%0.8SS**  trans57.8108.1152.2-55.7-18.2000120.9
534G39.9Very low41.1Very low81 Ų81135.7 Ų135.784%0.83580%0.804SS**  trans-172121.6166.200000112.9
535L41.6Very low41Very low187 Ų187137.2 Ų137.298%0.97980%0.802SS**  trans-84.9127.9-171.2-71.4161.7000114.6
536A43.4Very low41Very low106 Ų106136.9 Ų136.988%0.87680%0.798SS**  trans-167.3152.2150.800000111.6
537G43.7Very low41.3Very low67 Ų67135.3 Ų135.369%0.69180%0.802SS**  cis147.498.5-18.700000116.9
538K37.4Very low40.9Very low184 Ų184135.9 Ų135.980%0.881%0.808SS**  trans66.5165152.8-66.1176165.5-160.10116.3
539H39.3Very low40.5Very low164 Ų164135.3 Ų135.376%0.75980%0.802SS**  cis-149.7172.5-10.9-103.2-25.5000106.3
540G42.3Very low40.2Very low64 Ų64137.6 Ų137.666%0.6681%0.813SS**  cis157.8-162.86.700000109
541K33.7Very low40.7Very low223 Ų223133 Ų13397%0.9781%0.812SS**  trans-132.9138.7157.2-84.1-167176.9-179.20110.9
542Q41.6Very low40.4Very low180 Ų180133.1 Ų133.184%0.84181%0.813SS**  trans-124159.2-173.5-174.1179.315.400107.5
543G42.1Very low40.2Very low60 Ų60133 Ų13362%0.61981%0.808SS**  cis-137-117-0.300000111.2
544P40.6Very low40.2Very low140 Ų140135.9 Ų135.991%0.90981%0.808SS**  cis-95.1-165.82137.4-37000114.3
545M42.6Very low40Very low172 Ų172137.2 Ų137.285%0.84780%0.803SS**  trans-142.9138.5-161.3174.3-17772.300113.2
546G44.2Very low40Very low68 Ų68133.5 Ų133.570%0.70179%0.793SS**  trans91.4164.7159.200000116.6
547P42.6Very low40.2Very low132 Ų132135.8 Ų135.886%0.85779%0.79SS**  cis-107.8150.86.838.2-30.9000115.4
548Q38.4Very low39.9Very low191 Ų191138.1 Ų138.189%0.89379%0.794SS**  trans-83.4143.8150.8170.9-174.7-5.300107
549G40.3Very low39.8Very low63 Ų63140.8 Ų140.865%0.64980%0.799SS**  cis130.2142.17.300000109.5
550E35.8Very low40Very low198 Ų198138.8 Ų138.893%0.92580%0.801SS**  trans-137.1145.7174.9-77.5-148.3127.500113.6
551P49.5Very low39.7Very low129 Ų129139.4 Ų139.484%0.83881%0.807SS**  trans-99.5152.2176.538.1-32.8000113.2
552G32.3Very low39.9Very low76 Ų76136.6 Ų136.678%0.78480%0.801SS**  trans-159.6136.8173.900000113.4
553E33.2Very low40.2Very low159 Ų159134.2 Ų134.274%0.74380%0.801SS**  trans-24.5158.2172.3-53.7-173.3170.200118.5
554R39.1Very low39.8Very low209 Ų209135 Ų13579%0.78981%0.81SS**  cis-158.1128.538.2-170.8163.9-73.2169.9-1.1116.6
555C36.2Very low39.6Very low110 Ų110132 Ų13274%0.74380%0.797SS**  trans-24.3141.7153.9-178.60000118.3
556S42.2Very low39.4Very low109 Ų109128 Ų12876%0.76277%0.774SS**  trans-152.6125.6130.7-17.10000112.1
557L46.7Very low39.1Very low153 Ų153127.5 Ų127.580%0.80177%0.769SS**  trans66.6116.9157.1-61.8164.9000120.7
558C38.5Very low38.8Very low117 Ų117127.8 Ų127.879%0.79176%0.759SS**  trans77.386.3138.2-62.10000122.2
559R34.5Very low38.7Very low239 Ų239125 Ų12590%0.90274%0.744SS**  -45.9169.4119.8-83.7174157.5-172.7-5112.1
560P44.2Very low38.8Very low123 Ų123125.6 Ų125.680%0.79975%0.75SS**  cis-129.9174.1-33.438-23000111.9
561G36.1Very low38.7Very low77 Ų77120.1 Ų120.179%0.79473%0.727SS**  trans-159130.8171.900000113.8
562I37.4Very low38.1Very low164 Ų164121.2 Ų121.284%0.84172%0.724SS**  trans-137162.5172.5-24.5176.4000107.2
563P47.8Very low38.8Very low129 Ų129120.4 Ų120.484%0.83872%0.716SS**  -90.3171.6-82.137.8-27.8000112.6
564G34.5Very low39.2Very low78 Ų78119.3 Ų119.380%0.80472%0.723SS**  trans-144.6162.517000000111
565A34.8Very low39.1Very low76 Ų76114.1 Ų114.163%0.62873%0.725SS**  trans-147.9138.3-176.700000113.4
566K38.6Very low39Very low88 Ų88112 Ų11238%0.38372%0.721SS.*  trans66118.1163.7-160.1159.7-171.2-176.20119.7E568 E1486K566-E568 WeakPolarHBondContact CE-OE2 3.43Å; K566-E568 IonicContact NZ-OE2 3.93Å; K566-E568 PolarHBondContact NZ-OE2 2.86Å; K566-E1486 VanDerWaalsContact CA-CD 3.42Å; K566-E1486 VanDerWaalsContact CA-OE1 3.31Å; K566-E1486 WeakPolarHBondContact CA-OE1 3.49Å; K566-E1486 VanDerWaalsContact CA-OE2 3.24Å; K566-E1486 WeakPolarHBondContact CA-OE2 3.49Å; K566-E1486 HydrophobicContact CB-CB 4.26Å; K566-E1486 HydrophobicContact CD-CB 4.41Å; K566-E1486 HydrophobicContact CG-CB 4.09Å; K566-E1486 PolarHBondContact N-OE1 3.41Å
567G39Very low38.7Very low57 Ų57115 Ų11559%0.58873%0.728SS**  trans-148.3130.2158.700000113.5E1486G567-E1486 PolarHBondContact N-OE2 2.69Å
568E35.6Very low38.4Very low139 Ų139113.5 Ų113.565%0.6573%0.727SS**  trans-114.6134177.1-74.3-178.890.400112.5K566K566-E568 WeakPolarHBondContact CE-OE2 3.43Å; K566-E568 IonicContact NZ-OE2 3.93Å; K566-E568 PolarHBondContact NZ-OE2 2.86Å
569K37.1Very low38.5Very low132 Ų132111.4 Ų111.457%0.57473%0.725SS**  trans56.8139.1157.1-156.8171.3-170.6-82.10120.6D571 E1511K569-D571 VanDerWaalsContact CE-OD1 3.31Å; K569-D571 WeakPolarHBondContact CE-OD1 3.3Å; K569-D571 IonicContact NZ-OD1 2.66Å; K569-D571 PolarHBondContact NZ-OD1 3.45Å; K569-D571 IonicContact NZ-OD2 2.69Å; K569-D571 PolarHBondContact NZ-OD2 3.37Å; K569-E1511 IonicContact NZ-OE1 3.59Å; K569-E1511 PolarHBondContact NZ-OE1 2.95Å
570G40.8Very low38.9Very low75 Ų75105.9 Ų105.977%0.77372%0.72SS**  trans179.2110.1167.200000110.9
571D35Very low38.6Very low83 Ų83109.1 Ų109.144%0.44472%0.716SS.*  trans-95.9172.1-158.7-47.1-102.4000116K569K569-D571 VanDerWaalsContact CE-OD1 3.31Å; K569-D571 WeakPolarHBondContact CE-OD1 3.3Å; K569-D571 IonicContact NZ-OD1 2.66Å; K569-D571 PolarHBondContact NZ-OD1 3.45Å; K569-D571 IonicContact NZ-OD2 2.69Å; K569-D571 PolarHBondContact NZ-OD2 3.37Å
572I36.6Very low38.8Very low152 Ų152109.3 Ų109.378%0.77972%0.718SS**  trans71.1142.4162.9-59.3158.5000115
573G45.9Very low39Very low59 Ų59111.4 Ų111.461%0.60872%0.715SS**  cis127.1132.93.500000111.6
574P42.2Very low38.4Very low137 Ų137111.8 Ų111.889%0.8971%0.71SS**  -150.3-179.5124.538-20.4000116.2
575A36.6Very low38.5Very low100 Ų100111.8 Ų111.883%0.82671%0.711SS**  trans-68.4173-178.900000115.5
576G35Very low38.6Very low64 Ų64113.5 Ų113.566%0.6673%0.725SS**  cis127.2151.4-5.700000115.3
577L35.7Very low38.6Very low174 Ų174119.5 Ų119.591%0.91175%0.751SS**  trans63.8176.3173.9-57.2173000116
578P40.9Very low38.6Very low121 Ų121120.2 Ų120.279%0.78676%0.758SS**  cis-119158.2-22.918.54.3000113.1
579G39.9Very low38.7Very low72 Ų72123.1 Ų123.174%0.74277%0.772SS**  102.1-174.592.100000112.5
580P42.7Very low38.7Very low124 Ų124128.6 Ų128.681%0.80579%0.789SS**  cis-136154.1-9.340.2-23.6000116.5
581R38.9Very low38.7Very low190 Ų190128.3 Ų128.372%0.71779%0.786SS**  trans51.1119.9142.8-165180-158177.48.2121.4R583 D584R581-R583 HydrophobicContact CG-CB 4.46Å; R581-D584 IonicContact NE-OD2 2.83Å; R581-D584 IonicContact NH2-OD2 3.78Å; R581-D584 PolarHBondContact NH2-OD2 3.33Å; R581-D584 VanDerWaalsContact NH2-OD2 3.13Å
582G39Very low38.8Very low81 Ų81130.6 Ų130.684%0.83581%0.809SS**  trans-156.6117.4138.900000111.7
583R42.6Very low38.9Very low208 Ų208134.5 Ų134.579%0.78581%0.813SS**  cis-177.5139.1-19.5175.5176.3-170.7178.44.5103.5R581R581-R583 HydrophobicContact CG-CB 4.46Å
584D34.3Very low38.5Very low137 Ų137135.1 Ų135.173%0.73382%0.82SS**  trans-72147-169.4-34.4-96.8000114R581R581-D584 IonicContact NE-OD2 2.83Å; R581-D584 IonicContact NH2-OD2 3.78Å; R581-D584 PolarHBondContact NH2-OD2 3.33Å; R581-D584 VanDerWaalsContact NH2-OD2 3.13Å
585G38.2Very low38.1Very low79 Ų79133.4 Ų133.481%0.81482%0.818SS**  trans171.1122.2168.800000112.1
586A37Very low38.8Very low111 Ų111134.2 Ų134.292%0.91781%0.814SS**  cis-145.7172.1-3.400000111.6
587K37.8Very low39.1Very low215 Ų215134.2 Ų134.294%0.93581%0.814SS**  trans-107.4129.2-177170.9-170.6174.3-172.90110.5
588G39.5Very low39.2Very low71 Ų71133.3 Ų133.373%0.73281%0.81SS**  trans177.5143.3169.200000110.6
589E36.6Very low39.1Very low201 Ų201136.5 Ų136.594%0.93982%0.815SS**  cis-150177.1-14.1-158.3163.2-137.600110.1
590R38.7Very low39Very low246 Ų246136.3 Ų136.393%0.92881%0.813SS**  trans-106.4122.3-176.3173.2-163.2-76.6173.4-6.4111.4
591G40.4Very low38.8Very low70 Ų70142.2 Ų142.272%0.72282%0.819SS**  trans-178.1143.1159.100000111.8
592S36.6Very low38.8Very low131 Ų131139.8 Ų139.892%0.91683%0.826SS**  cis-155.2174.7-13.856.50000110.2
593R39.3Very low38.8Very low233 Ų233139.4 Ų139.488%0.87982%0.822SS**  trans-113.1140.1-166.6171.6-162.7-120.7-177.1-0.1112.5
594G36.4Very low38.5Very low73 Ų73134.6 Ų134.675%0.75382%0.82SS**  trans-176.7137.5154.400000111.4
595A34.3Very low38.6Very low101 Ų101135.9 Ų135.984%0.83582%0.821SS**  cis-151.4156.3-10.700000111
596P50.1Low38.4Very low116 Ų116135.3 Ų135.375%0.75382%0.816SS**  trans-123.3161.1-178.441.4-30.3000116
597G41.9Very low38.3Very low64 Ų64140.6 Ų140.666%0.6681%0.814SS**  trans142.1146.3168.900000112.3
598N37.9Very low38.4Very low155 Ų155139.3 Ų139.383%0.82981%0.811SS**  cis-147.2179.98.6-86-28.9000113.5
599Q38.1Very low38.3Very low188 Ų188138.9 Ų138.988%0.87981%0.807SS**  trans-60.6167-179.4-57.5141.5-41.600114.2
600G39.6Very low38.3Very low69 Ų69137.5 Ų137.571%0.71181%0.806SS**  cis122.9132.7-3.600000115.1
601R38.6Very low38.3Very low248 Ų248134.4 Ų134.494%0.93680%0.802SS**  trans-178.9165.1155.2-107.9-177.7176.9-163.2-1.1111.5
602T38Very low38.1Very low139 Ų139133.9 Ų133.985%0.85380%0.796SS**  -169.2136.7-61.4-82.40000109.3
603G38.3Very low38Very low73 Ų73137.4 Ų137.475%0.75380%0.798SS**  trans105.8149.4165.900000115
604S37.4Very low37.9Very low106 Ų106134 Ų13474%0.74179%0.792SS**  cis-159.1155.3-3.152.70000112
605Q36.1Very low37.9Very low164 Ų164132.9 Ų132.977%0.76678%0.781SS**  trans10.9135.5157.4-63.8157.6-74.300118.6
606G33.5Very low37.9Very low68 Ų68136.1 Ų136.170%0.70178%0.783SS**  cis121.5116.222.100000110.2
607Y36.3Very low37.7Very low222 Ų222136.4 Ų136.487%0.87179%0.785SS**  trans-115.8120.3165-62.7-80.2000105.3
608E39Very low37.7Very low188 Ų188136.1 Ų136.188%0.87978%0.782SS**  63.7110.587.2-164.4155.7-139.600110.7
609G37.2Very low37.6Very low62 Ų62134.9 Ų134.964%0.63978%0.783SS**  trans-89164-160.400000114.8Q611G609-Q611 PolarHBondContact O-N 3.45Å; G609-Q611 VanDerWaalsContact O-N 3.13Å
610D36.3Very low37.6Very low172 Ų172135.7 Ų135.792%0.9278%0.783SS**  trans-57.9114.4-178-64.3-59.3000112.3G612D610-G612 VanDerWaalsContact C-N 3.31Å; D610-G612 PolarHBondContact O-N 3.07Å
611Q38.7Very low37.6Very low181 Ų181135.4 Ų135.485%0.84678%0.78SS**  trans-73.879.4177.6-67.1-175.8-99.700111.8G609G609-Q611 PolarHBondContact O-N 3.45Å; G609-Q611 VanDerWaalsContact O-N 3.13Å
612G37.8Very low37.3Very low59 Ų59132.1 Ų132.161%0.60877%0.773SS**  trans67.2147.1160.900000117.1D610 H614D610-G612 VanDerWaalsContact C-N 3.31Å; D610-G612 PolarHBondContact O-N 3.07Å; G612-H614 PolarHBondContact O-N 3.19Å
613E33.7Very low37.1Very low204 Ų204133.9 Ų133.995%0.95377%0.769SS**  trans-73.267.1156.5-66.9-173.2123.500109.4
614H36.7Very low36.9Very low161 Ų161133.6 Ų133.675%0.74577%0.766SS**  trans-59.9134154.4-77.7-68.5000107.6G612G612-H614 PolarHBondContact O-N 3.19Å
615G37.4Very low36.6Very low51 Ų51136.7 Ų136.753%0.52677%0.769SS.*  trans-51.4147.7-159.400000115P617G615-P617 VanDerWaalsContact O-N 3.16Å
616L33.4Very low36.5Very low168 Ų168134 Ų13488%0.8877%0.765SS**  trans-29.3116.4176.3-74.2168.4000111.5G618L616-G618 PolarHBondContact O-N 2.78Å
617P46.7Very low36.3Very low122 Ų122134.3 Ų134.379%0.79277%0.769SS**  trans-52.3114172.1-27.435.3000108.8G615G615-P617 VanDerWaalsContact O-N 3.16Å
618G40.3Very low36.1Very low58 Ų58132.9 Ų132.960%0.59877%0.77SS**  trans-50.8140.1177.800000109.1L616 K620L616-G618 PolarHBondContact O-N 2.78Å; G618-K620 PolarHBondContact O-N 2.77Å
619P36.4Very low35.5Very low129 Ų129129.9 Ų129.984%0.83877%0.765SS**  trans-49.2114.4-167.319.5-33000109.1G621P619-G621 PolarHBondContact O-N 3.49Å
620K38.4Very low35.1Very low205 Ų205136.8 Ų136.889%0.89177%0.772SS**  trans-48.8107.6-171.1-165.5175.3-171.2175.70107G618 F622G618-K620 PolarHBondContact O-N 2.77Å; K620-F622 PolarHBondContact O-N 2.9Å
621G38.9Very low34.9Very low63 Ų63134.3 Ų134.365%0.64976%0.763SS**  trans-50.8135.4-170.600000108.6P619 K623P619-G621 PolarHBondContact O-N 3.49Å; G621-K623 PolarHBondContact O-N 2.81Å
622F32.9Very low34.5Very low179 Ų179131.4 Ų131.479%0.78575%0.749SS**  trans-45.5114.1-177.9-80.8-88.8000108K620 G624K620-F622 PolarHBondContact O-N 2.9Å; F622-G624 PolarHBondContact O-N 2.91Å
623K33.3Very low34.3Very low177 Ų177140.1 Ų140.177%0.7777%0.765SS**  trans-52.5115.3165.9176.3-166.7175.8-163.90103.3G621 E625G621-K623 PolarHBondContact O-N 2.81Å; K623-E625 PolarHBondContact O-N 2.69Å
624G35Very low34.1Very low67 Ų67136.4 Ų136.469%0.69176%0.757SS**  trans-55.1107.6176.500000106.4F622F622-G624 PolarHBondContact O-N 2.91Å
625E31.3Very low34Very low171 Ų171132.4 Ų132.480%0.79976%0.76SS**  trans-64.4146.9175.2-69.5-163114.900107.4K623K623-E625 PolarHBondContact O-N 2.69Å
626P33.4Very low33.7Very low106 Ų106137.2 Ų137.269%0.68877%0.772SS**  trans-56.6149.8-160.4-26.135.9000111.7E628P626-E628 PolarHBondContact O-N 3Å
627G28.5Very low33.8Very low76 Ų76137.6 Ų137.678%0.78477%0.774SS**  trans-64.487.3164.400000108.6T629G627-T629 PolarHBondContact O-N 2.82Å
628E32.7Very low33.1Very low192 Ų192140.9 Ų140.990%0.89778%0.775SS**  trans-71.899.3-179.2-168.9155.2-124.300108.5P626P626-E628 PolarHBondContact O-N 3Å
629T27.2Very low32.9Very low124 Ų124141 Ų14176%0.76178%0.777SS**  trans-72.5155.1-179.849.40000111.6G627G627-T629 PolarHBondContact O-N 2.82Å
630R27.8Very low32.9Very low207 Ų207141.3 Ų141.378%0.78178%0.779SS**  trans87.1137.9167.9-144.5171.4-173.3-168.1-1.7112.7E632R630-E632 IonicContact CZ-OE1 2.75Å; R630-E632 IonicContact NE-OE1 3.68Å; R630-E632 PolarHBondContact NE-OE1 3.05Å; R630-E632 IonicContact NH2-OE1 2.71Å; R630-E632 PolarHBondContact NH2-OE1 2.96Å
631T32.9Very low32.7Very low120 Ų120141.6 Ų141.674%0.73678%0.78SS**  cis-112.6136.716.8450000116.2
632E29.2Very low32.7Very low120 Ų120141.7 Ų141.756%0.56178%0.782SS**  trans19.4116.9135.3-63.8135.9-127.500117.5R630R630-E632 IonicContact CZ-OE1 2.75Å; R630-E632 IonicContact NE-OE1 3.68Å; R630-E632 PolarHBondContact NE-OE1 3.05Å; R630-E632 IonicContact NH2-OE1 2.71Å; R630-E632 PolarHBondContact NH2-OE1 2.96Å
633Y33.7Very low32.8Very low242 Ų242144.1 Ų144.195%0.94979%0.787SS**  -133.8143.482.2-118.5-102.1000114.1
634T30.7Very low33.4Very low126 Ų126141.6 Ų141.677%0.77379%0.789SS**  trans-119133.8-176.251.40000112.7
635G33.6Very low33.7Very low78 Ų78141.9 Ų141.980%0.80479%0.791SS**  trans-151.926.2-172.900000117.6
636I32.2Very low34Very low152 Ų152140.7 Ų140.778%0.77980%0.795SS**  trans17.4109.9164.4-48.4175.5000118.6
637L34.7Very low34.2Very low176 Ų176143.1 Ų143.192%0.92180%0.803SS**  -143.9144.9126.8-109.6173.6000109
638K31.3Very low34.7Very low190 Ų190143.1 Ų143.183%0.82680%0.803SS**  trans-128.3105.4-153-166174.6-174.1174.90112.7
639G36.2Very low35.2Very low62 Ų62140.8 Ų140.864%0.63980%0.801SS**PPolyproline II helixtrans-64.8161.1172.500000113.5
640P36.3Very low35.7Very low135 Ų135143.9 Ų143.988%0.87780%0.804SS**PPolyproline II helixtrans-68.6156.1-172.127.4-34.9000113.8
641K34.1Very low36.4Very low210 Ų210137.5 Ų137.591%0.91380%0.803SS**PPolyproline II helixtrans-61.6135.9178.9-72.7-179.2177.2177.20111.7
642G39.2Very low36.7Very low66 Ų66139.5 Ų139.568%0.6881%0.809SS**PPolyproline II helixtrans-68163.4158.600000112.2
643Y34.7Very low37.2Very low230 Ų230144 Ų14490%0.90283%0.827SS**PPolyproline II helixtrans-59.3142.2-179-63.9-87.7000112.5
644P47.3Very low37.7Very low124 Ų124135.9 Ų135.981%0.80582%0.817SS**PPolyproline II helixtrans-59.6137.3169.6-21.333.1000111.5
645G41Very low38Very low72 Ų72138.6 Ų138.674%0.74283%0.825SS**PPolyproline II helixtrans-67.6140.7165.300000110.3
646V36.3Very low38.1Very low146 Ų146144.8 Ų144.889%0.88583%0.83SS**PPolyproline II helixtrans-72.6138.3173.1-78.60000110.9
647D38.3Very low38.5Very low157 Ų157140.8 Ų140.884%0.8483%0.826SS**PPolyproline II helixtrans-61.7134.9179.8-68.6-58.8000112.3V649D647-V649 PolarHBondContact O-N 2.85Å
648G40.3Very low38.7Very low76 Ų76140.4 Ų140.478%0.78482%0.823SS**PPolyproline II helixtrans-67.5126.8173.900000111.4K650G648-K650 PolarHBondContact O-N 2.9Å
649V42.5Very low39.2Very low143 Ų143139.3 Ų139.387%0.86782%0.824SS**PPolyproline II helixtrans-64.4127.4-174.7-174.90000111.3D647 G651D647-V649 PolarHBondContact O-N 2.85Å; V649-G651 PolarHBondContact O-N 2.87Å
650K37.5Very low39.6Very low190 Ų190139.3 Ų139.383%0.82682%0.824SS**PPolyproline II helixtrans-58.7122176.5-177.1179.5-178.6178.20111.1G648G648-K650 PolarHBondContact O-N 2.9Å
651G43.2Very low39.3Very low73 Ų73138.8 Ų138.875%0.75382%0.824SS**PPolyproline II helixtrans-76.8131.4-179.200000114V649V649-G651 PolarHBondContact O-N 2.87Å
652D39.3Very low40.1Very low162 Ų162134.9 Ų134.987%0.86682%0.82SS**PPolyproline II helixtrans-78139.5176.5-73.6-45.9000112.9G654D652-G654 PolarHBondContact O-N 2.03Å
653K39.6Very low40.2Very low213 Ų213135.4 Ų135.493%0.92683%0.826SS**  trans-82.3112.7169-77.5-175.3175.9177.90109.6
654G43.7Very low40.8Very low73 Ų73134 Ų13475%0.75383%0.828SS**  trans-74.5-163.9-170.800000116.9D652D652-G654 PolarHBondContact O-N 2.03Å
655I37.6Very low40.2Very low182 Ų182137.9 Ų137.993%0.93383%0.832SS**  trans-129.3155.7-171.8-12.6176.8000111.1
656K35.9Very low40.5Very low209 Ų209137.2 Ų137.291%0.90982%0.824SS**  trans-137.3134.8-170.8-175.1179.6-177.9178.20111
657G39.4Very low40.5Very low67 Ų67138 Ų13869%0.69182%0.824SS**  trans-178.2162.217600000111.3
658I40Very low40.6Very low168 Ų168142.1 Ų142.186%0.86283%0.827SS**  cis-135.9156.89.1-52.5177.4000110.3
659I41.8Very low40.4Very low167 Ų167141.4 Ų141.486%0.85682%0.82SS**  trans-135.6147.6-178.6-61.9172.8000107.1
660G43.2Very low39.9Very low62 Ų62142.8 Ų142.864%0.63982%0.821SS**  cis176.3-152.9300000109.3
661S31.2Very low40Very low125 Ų125143 Ų14387%0.87483%0.826SS**  trans-115.4100.2177.456.20000114.1
662P50.4Low40.1Very low127 Ų127142.8 Ų142.883%0.82582%0.823SS**  trans-82.5174.7172.7-10.629.4000113.6
663G42.2Very low40.6Very low78 Ų78141.7 Ų141.780%0.80483%0.825SS**  trans-111.3146.2170.800000112.7
664E45.9Very low40.4Very low201 Ų201141.1 Ų141.194%0.93983%0.825SS**  trans-98.3138-166.4-60.4-17312200115.7
665K34.6Very low40.1Very low205 Ų205140.8 Ų140.889%0.89182%0.822SS**  -177.3137.4122.7-167.3171.1-174.3178.50108.6
666G48.6Very low40.4Very low57 Ų57140 Ų14059%0.58882%0.82SS**  cis160.6152-3.400000109.3
667D36.4Very low40.6Very low163 Ų163136.3 Ų136.387%0.87282%0.817SS**  trans68.7136.2-174.5-58-36.7000115.5
668R39.9Very low40.3Very low244 Ų244136.9 Ų136.992%0.92182%0.823SS**  cis-170.6143.2-6.8173.9-178.9-172.8179.73.6107.9
669G35Very low40.5Very low61 Ų61137.7 Ų137.763%0.62983%0.829SS**  cis160.5166.6-5.800000111.2
670L32.7Very low40.2Very low171 Ų171141.8 Ų141.890%0.89583%0.833SS**  trans70.4143.7176.5-46.5175.3000114.8
671E40.7Very low39.8Very low196 Ų196141.9 Ų141.992%0.91683%0.834SS**  cis-130.5178.7-3.7-60.7178.8104.900107.8
672G45.1Very low40.6Very low68 Ų68144.8 Ų144.870%0.70184%0.839SS**  cis159.6126.9-000000109.1
673P49.6Very low39.8Very low139 Ų139144.7 Ų144.790%0.90384%0.838SS**  trans-101.3119.7-167.235.2-32.7000116
674Q35.3Very low39.5Very low200 Ų200144.6 Ų144.694%0.93584%0.837SS**  trans-166.7143.2166.9-167.1171.9-0.700109
675G37.9Very low39.3Very low67 Ų67144 Ų14469%0.69184%0.835SS**  cis177.8159.7-900000110.2
676D43.1Very low39.1Very low164 Ų164144 Ų14488%0.87784%0.835SS**  trans-59.8145.1176.3-61.5-73.4000112.2
677P39.2Very low38.7Very low132 Ų132144.8 Ų144.886%0.85784%0.843SS**  -150.9166.871.240.2-21.4000117.1
678G34.8Very low39.1Very low79 Ų79142.9 Ų142.981%0.81484%0.839SS**  trans-177.617.7175.400000122.5R680G678-R680 PolarHBondContact O-N 3.06Å
679L44.1Very low38.8Very low186 Ų186140.3 Ų140.397%0.97484%0.835SS**  trans-84.6110.4173.9-88.6175.9000112.6
680R34.6Very low38.9Very low252 Ų252141.2 Ų141.295%0.95184%0.844SS**  trans156.1128.4130.1-175.5176.4-162.9-174.35.3112.7G678G678-R680 PolarHBondContact O-N 3.06Å
681G34Very low38.8Very low64 Ų64140 Ų14066%0.6684%0.837SS**  trans166.497.9163.600000114.9
682L48.1Very low38.5Very low187 Ų187138.4 Ų138.498%0.97983%0.834SS**  trans-110.3101.5161.8-77.3176.8000109.8
683P34.9Very low37.9Very low125 Ų125138.4 Ų138.481%0.81283%0.834SS**  trans-137.3144.1147.136.3-23000111.7
684G35.7Very low37Very low76 Ų76138.2 Ų138.278%0.78482%0.821SS**  cis-176.8172.8-3.300000110.3
685Q40.9Very low36.7Very low188 Ų188135.9 Ų135.988%0.87981%0.807SS**  trans-81.3127.4179.1-65.3-177.6300112.8
686K31.2Very low36.4Very low205 Ų205136 Ų13689%0.89181%0.809SS**  164.2150.3115.6-94.1-176.7175.5-179.90112.8
687G39.2Very low35.9Very low74 Ų74137 Ų13776%0.76380%0.802SS**  trans150.188.8160.700000115.4
688P45.6Very low35.5Very low122 Ų122140.2 Ų140.279%0.79280%0.802SS**  trans-87.2152.6169.534.5-32.7000112.9
689K33.1Very low35.4Very low191 Ų191139.9 Ų139.983%0.8380%0.799SS**  trans65.4101.3174.3-68-170.3174.8-176.20118
690G37.7Very low34.8Very low79 Ų79135.5 Ų135.581%0.81479%0.789SS**  trans-99.4159.6131.200000109.6
691I30.9Very low34.6Very low147 Ų147129.9 Ų129.975%0.75478%0.783SS**  trans-145.2136.4-174.9-25.8173.9000111.1
692L34Very low34.3Very low162 Ų162131.1 Ų131.185%0.84879%0.787SS**  trans61.8148.8153.4-168.863.8000120.5E694L692-E694 HydrophobicContact CD1-CG 4.24Å
693G31.8Very low33.6Very low68 Ų68130.6 Ų130.670%0.70178%0.78SS**  trans12084.9161.300000114
694E31Very low33.5Very low135 Ų135129.9 Ų129.963%0.63177%0.773SS**  86.5122.761-75.9-128.711000117.3L692L692-E694 HydrophobicContact CD1-CG 4.24Å
695K28.7Very low33.2Very low150 Ų150137.1 Ų137.165%0.65278%0.776SS**  trans69.6114.4140.7-70.2172.1176.2135.40122.9Y697K695-Y697 HydrophobicContact CG-CE2 4.5Å
696G32.7Very low32.6Very low70 Ų70136.8 Ų136.872%0.72277%0.772SS**  108.8167117.500000118.7
697Y32.4Very low32.7Very low186 Ų186129.9 Ų129.973%0.72976%0.759SS**  cis-173.7149.5-15.8-115.5-50.9000112.4K695K695-Y697 HydrophobicContact CG-CE2 4.5Å
698K29.3Very low32.5Very low199 Ų199133.2 Ų133.287%0.86576%0.76SS**  trans73.6146.7149.7-65.7170.8-177.8178.80122
699G34.1Very low32Very low72 Ų72137.6 Ų137.674%0.74277%0.766SS**  trans138.190.9167.700000111.6
700A30.5Very low32.6Very low94 Ų94131.1 Ų131.178%0.77775%0.754SS**  79.9140.367.200000112.6
701T30.6Very low32.7Very low134 Ų134134.8 Ų134.882%0.82275%0.75SS**  cis-162.6167.211-12.10000112.5
702A28.4Very low33.1Very low90 Ų90134.7 Ų134.774%0.74474%0.744SS**  trans73.4151161.100000116.1
703E33.4Very low33.3Very low176 Ų176128.1 Ų128.182%0.82272%0.715SS**  cis-142.6139.74.6-84.4-154.3133.300110.5
704V31.9Very low33.9Very low109 Ų109129.7 Ų129.766%0.66170%0.704SS**  81.7106.2101.5179.10000118.1
705R30Very low34Very low228 Ų228127.8 Ų127.886%0.8670%0.704SS**  trans59.4172.7133.9-69.3-171.3175.3158.8-2.6122.4
706F28.1Very low34.3Very low181 Ų181123.4 Ų123.479%0.79470%0.701SS**  cis-179.4147.5-41.4-151.2-93.8000109.1
707G34.3Very low34.5Very low60 Ų60130.6 Ų130.662%0.61971%0.707SS**  trans78.7165.4153.800000119.4
708D34.1Very low34.8Very low144 Ų144127.8 Ų127.877%0.7771%0.711SS**  cis-160.7153.3-12-97.3-41.3000113.3
709K35.6Very low35.1Very low214 Ų214121.7 Ų121.793%0.9370%0.704SS**  trans117.7130.3170.3-73.8-175.9173.1-175.30114.2
710G45.7Very low35.1Very low56 Ų56126.9 Ų126.958%0.57772%0.715SS**  cis180120.9-12.400000110.5
711E39Very low35.1Very low155 Ų155129.9 Ų129.972%0.72471%0.71SS**  89.1138.199.2-64.2-143.2150.100112.6
712K40.1Very low35.2Very low146 Ų146126.4 Ų126.464%0.63570%0.701SS**  cis-166.6164.4-0.1-120.5175.3-172141.90109.8G220G220-K712 CarbonylContact C-O 3.52Å; G220-K712 WeakPolarHBondContact CA-O 3.25Å
713G38.1Very low35.9Very low24 Ų24130.2 Ų130.225%0.24770%0.703CS.*  cis-133.8-134.5-4.300000113.9L221L221-G713 PolarHBondContact N-O 2.78Å; L221-G713 CarbonylContact O-C 3.49Å; L221-G713 VanDerWaalsContact O-C 3.24Å; L221-G713 WeakPolarHBondContact O-CA 3.19Å; L221-G713 PolarHBondContact O-N 3.15Å
714Q43.1Very low35.9Very low100 Ų100130.3 Ų130.347%0.46771%0.709SS.*  trans-136.9-158-163.8-133.4146.490.500113L221 E222L221-Q714 CarbonylContact C-O 3.49Å; L221-Q714 WeakPolarHBondContact CB-O 3.36Å; L221-Q714 PolarHBondContact O-N 3.29Å; E222-Q714 WeakPolarHBondContact CB-O 3.38Å; E222-Q714 VanDerWaalsContact CD-O 3.29Å; E222-Q714 WeakPolarHBondContact CG-O 3.33Å; E222-Q714 PolarHBondContact N-O 2.7Å; E222-Q714 VanDerWaalsContact N-O 3.15Å; E222-Q714 WeakPolarHBondContact OE2-CA 3.01Å; E222-Q714 PolarHBondContact OE2-N 3.43Å
715P34.6Very low35.9Very low96 Ų96128.6 Ų128.662%0.62371%0.713SS**  cis-114.4177.416.641.3-27.3000113.9E222E222-P715 HydrophobicContact CG-CG 4.5Å; E222-P715 WeakPolarHBondContact OE1-CB 3.44Å; E222-P715 VanDerWaalsContact OE1-CG 3.32Å; E222-P715 WeakPolarHBondContact OE1-CG 3.25Å
716G35.4Very low36.3Very low58 Ų58125.5 Ų125.560%0.59871%0.713SS**  cis173.768.4-5.900000117.8
717R35.1Very low36.5Very low221 Ų221122.7 Ų122.783%0.83472%0.717SS**  trans69.4174.7148.7-62-178.1167.8-133.5-3.5118.8
718P39.7Very low36.3Very low127 Ų127123.5 Ų123.583%0.82573%0.725SS**  -140171.4-55.140.9-25.7000115.7
719G34.6Very low36.9Very low70 Ų70125.7 Ų125.772%0.72273%0.73SS**  trans155144.2160.700000117.1
720L34.2Very low36.7Very low182 Ų182121.5 Ų121.595%0.95373%0.725SS**  trans-157.2167.7-174.2-63.5176.2000110.6
721K31.1Very low35.9Very low156 Ų156120.6 Ų120.668%0.67872%0.716SS**  cis-150.9156-8.6-173.9-102.8170.6-1760108.7E723K721-E723 IonicContact NZ-OE1 3.19Å; K721-E723 IonicContact NZ-OE2 2.76Å; K721-E723 PolarHBondContact NZ-OE2 3.3Å
722G32.9Very low35.8Very low62 Ų62119.2 Ų119.264%0.63971%0.713SS**  trans-168.5161.316600000112.8
723E42.1Very low35.1Very low169 Ų169115.9 Ų115.979%0.7971%0.708SS**  trans-151.6147.8170-73.6165.6161.600109K721K721-E723 IonicContact NZ-OE1 3.19Å; K721-E723 IonicContact NZ-OE2 2.76Å; K721-E723 PolarHBondContact NZ-OE2 3.3Å
724L33.9Very low34.7Very low179 Ų179119.1 Ų119.194%0.93772%0.723SS**  trans169.7129.7131.4-174.668.4000113.7
725G31.8Very low33.9Very low73 Ų73120.2 Ų120.275%0.75374%0.736SS**  trans87.6124.8135.500000121.3
726D38.7Very low33.5Very low162 Ų162122.4 Ų122.487%0.86674%0.743SS**  trans-82.3160170.5-61.2-67.2000114.2
727S31.8Very low33.1Very low123 Ų123124.1 Ų124.186%0.8674%0.741SS**  171.3144.9118.144.20000115.3
728G31.3Very low32.8Very low77 Ų77119.6 Ų119.679%0.79473%0.732SS**  trans85.8124.314200000119.4
729E46.5Very low32.6Very low189 Ų189120.7 Ų120.788%0.88373%0.726SS**  trans-64.8164.4164.6-56.3-176.1130.200112.6
730P31.6Very low32.5Very low127 Ų127119.9 Ų119.983%0.82571%0.709SS**  -135.6131122.236-26.4000113.6
731G28.7Very low32.8Very low37 Ų37120.7 Ų120.738%0.38170%0.7SS.*  trans-72133.4178.800000115.1R62R62-G731 PolarHBondContact NH1-O 3.46Å
732N35.6Very low33Very low125 Ų125120.4 Ų120.467%0.66871%0.706SS**  68.4111.5107.4-121.310000119.6F60 R62F60-N732 HydrophobicContact CE1-CB 3.65Å; F60-N732 VanDerWaalsContact CE1-CG 3.46Å; F60-N732 HydrophobicContact CZ-CB 4Å; F60-N732 WeakPolarHBondContact CZ-ND2 3.43Å; F60-N732 WeakPolarHBondContact CZ-OD1 3.45Å; R62-N732 PolarHBondContact NH1-O 3.36Å
733C25.5Very low32.8Very low77 Ų77124.4 Ų124.452%0.5271%0.712SS.*  trans-171.1149.5151.5-94.10000111.2F60F60-C733 HydrophobicContact CD1-CB 4.32Å
734T31Very low32.4Very low91 Ų91123.2 Ų123.256%0.55872%0.716SS**  trans-103.2166.6-171.742.90000115.1F60F60-T734 HydrophobicContact CD2-CG2 3.48Å; F60-T734 VanDerWaalsContact CD2-CG2 3.48Å; F60-T734 WeakPolarHBondContact CD2-OG1 3.23Å; F60-T734 HydrophobicContact CE2-CG2 3.49Å; F60-T734 VanDerWaalsContact CE2-CG2 3.49Å
735V25.7Very low32.1Very low123 Ų123120.4 Ų120.475%0.74571%0.706SS**  -176.2138.7124.2145.30000111.2
736N26Very low32.2Very low143 Ų143125.6 Ų125.677%0.76571%0.711SS**  trans2.3159.3155.9-44.5-20.5000120.3
737V26.9Very low31.9Very low93 Ų93127 Ų12756%0.56471%0.709SS**  cis-156.813241.1178.60000112.6
738I30.2Very low31.9Very low126 Ų126124.6 Ų124.665%0.64670%0.704SS**  trans58.6161156.9-61.9167.2000117.8
739Q35.5Very low32Very low150 Ų150128.4 Ų128.470%0.70171%0.706SS**  -156.8121.8-101.5179.9-174.830.400114.4D260D260-Q739 VanDerWaalsContact CG-C 3.46Å; D260-Q739 WeakPolarHBondContact OD1-CA 3.05Å; D260-Q739 PolarHBondContact OD1-N 3.47Å
740S31.1Very low31.6Very low53 Ų53131 Ų13137%0.37171%0.708SS.*  trans58.2146.4157.2-66.40000117.1G259 D260G259-S740 CarbonylContact C-O 3.24Å; G259-S740 VanDerWaalsContact C-O 3.3Å; G259-S740 WeakPolarHBondContact CA-O 3.18Å; D260-S740 PolarHBondContact N-O 3.05Å; D260-S740 VanDerWaalsContact OD2-C 3.3Å; D260-S740 PolarHBondContact OD2-N 3.25Å
741R41.3Very low31.7Very low199 Ų199128 Ų12875%0.75170%0.701SS**  cis-166.4110-6.8-106167.1178.4-172.7-0.7106.4
742N34.8Very low32Very low151 Ų151132.5 Ų132.581%0.80772%0.723SS**  trans-170.4139.5135.3-111-10.2000113.9
743L29.9Very low32Very low145 Ų145136.4 Ų136.476%0.75973%0.734SS**  trans-84133.7-178.1-70.567.6000110.4V745L743-V745 HydrophobicContact CB-CG2 4.13Å; L743-V745 HydrophobicContact CD2-CG2 3.94Å
744T31.7Very low32.6Very low144 Ų144135.8 Ų135.888%0.88374%0.741SS**  trans-113.6115.614233.30000107.1E746T744-E746 PolarHBondContact O-N 2.7Å
745V29.3Very low32.7Very low121 Ų121140.6 Ų140.673%0.73376%0.757SS**  trans-92.698.8-178.3-178.60000108.9L743L743-V745 HydrophobicContact CB-CG2 4.13Å; L743-V745 HydrophobicContact CD2-CG2 3.94Å
746E33.4Very low33.8Very low182 Ų182140.8 Ų140.885%0.8576%0.76SS**  trans-126.9118.3153.6-80.5-137118.500110.8T744T744-E746 PolarHBondContact O-N 2.7Å
747K32.6Very low34.6Very low190 Ų190137 Ų13783%0.82676%0.755SS**  trans65.573.2142.8-156.4174.5-174.81760118.1
748G31.1Very low35.3Very low73 Ų73139.1 Ų139.175%0.75377%0.771SS**  trans-102.5143.9151.200000111R750G748-R750 PolarHBondContact O-N 2.89Å
749D34.7Very low35.9Very low157 Ų157144.4 Ų144.484%0.8478%0.782SS**  trans-70.6116.7-160.1-70.2-62.1000117.2G751D749-G751 PolarHBondContact O-N 2.79Å
750R36.1Very low36.5Very low244 Ų244140.3 Ų140.392%0.92178%0.78SS**  trans19.387.5141.4-164.6-173.8-160.6170.37.3117.6G748G748-R750 PolarHBondContact O-N 2.89Å
751G34.2Very low36.8Very low65 Ų65145.9 Ų145.967%0.6781%0.806SS**PPolyproline II helixtrans-73158.9166.800000114.4D749D749-G751 PolarHBondContact O-N 2.79Å
752P35Very low36.7Very low130 Ų130145.6 Ų145.684%0.84481%0.81SS**PPolyproline II helixtrans-81.7157.1162.734.2-32.3000111.8
753K35Very low37.2Very low208 Ų208141.2 Ų141.290%0.90480%0.801SS**PPolyproline II helixtrans-64.7137.4-174.3-176.8179.8178.9-179.90112.8
754G39.6Very low37.5Very low64 Ų64143.7 Ų143.766%0.6681%0.805SS**PPolyproline II helixtrans-74163.8177.300000114.9
755E32.7Very low38Very low192 Ų192142.2 Ų142.290%0.89780%0.798SS**PPolyproline II helixtrans-89.3135.7-179.5-59.4-169.2137.200111.6
756P47.8Very low38.6Very low126 Ų126140 Ų14082%0.81880%0.801SS**PPolyproline II helixtrans-65.8145.5172.1-20.933.7000112.3
757G43.8Very low38.9Very low63 Ų63139.1 Ų139.165%0.64980%0.801SS**PPolyproline II helixtrans-63.3167.1-17800000115.1R759G757-R759 PolarHBondContact O-N 2.03Å; G757-R759 VanDerWaalsContact O-N 3.14Å
758P41.6Very low39.2Very low138 Ų138135.3 Ų135.390%0.89679%0.787SS**PPolyproline II helixtrans-59.8118.3-175.424.2-33.9000111.5G760P758-G760 PolarHBondContact O-N 2.86Å
759R42.7Very low39.8Very low237 Ų237134.3 Ų134.389%0.89478%0.776SS**PPolyproline II helixtrans-62.5121.3167.4-179.4-179.2-173.1159.94.9108G757G757-R759 PolarHBondContact O-N 2.03Å; G757-R759 VanDerWaalsContact O-N 3.14Å
760G47.4Very low40Very low64 Ų64132.9 Ų132.966%0.6678%0.775SS**PPolyproline II helixtrans-52.8148.8-178.700000113P758 K762P758-G760 PolarHBondContact O-N 2.86Å; G760-K762 PolarHBondContact O-N 2.79Å; G760-K762 VanDerWaalsContact O-N 3.15Å
761D37.6Very low40.4Very low171 Ų171125.1 Ų125.191%0.91476%0.757SS**  trans-45.4120.1-173.6-79.9-50.6000111.6G763D761-G763 PolarHBondContact O-N 2.86Å
762K39.3Very low40.5Very low193 Ų193125.4 Ų125.484%0.83976%0.76SS**  trans-62.9112.2174.9-172.4-176.2-180-170.80106.9G760 K764G760-K762 PolarHBondContact O-N 2.79Å; G760-K762 VanDerWaalsContact O-N 3.15Å; K762-K764 PolarHBondContact O-N 2.63Å
763G45.6Very low40.5Very low59 Ų59126.1 Ų126.161%0.60875%0.752SS**  trans-46.6141.9177.700000110.8D761D761-G763 PolarHBondContact O-N 2.86Å
764K36.5Very low40.7Very low196 Ų196119.3 Ų119.385%0.85273%0.729SS**  trans-43.3133.6179.8-68.3-175.7177.4-175.30109.1K762 G766K762-K764 PolarHBondContact O-N 2.63Å; K764-G766 PolarHBondContact O-N 2.93Å; K764-G766 VanDerWaalsContact O-N 3.14Å
765P41.4Very low41Very low113 Ų113118.7 Ų118.773%0.73472%0.723SS**PPolyproline II helixtrans-47.5127.4167-24.334.1000107.9D767P765-D767 PolarHBondContact O-N 2.92Å; P765-D767 VanDerWaalsContact O-N 3.08Å
766G41.8Very low41.2Very low76 Ų76114 Ų11478%0.78470%0.704SS**PPolyproline II helixtrans-61.7117178.300000108.1K764 E768K764-G766 PolarHBondContact O-N 2.93Å; K764-G766 VanDerWaalsContact O-N 3.14Å; G766-E768 PolarHBondContact O-N 2.71Å
767D40.1Very low40.7Very low162 Ų162110 Ų11087%0.86668%0.679SS**PPolyproline II helixtrans-54.9134164.5-71.3-56.8000107.6P765 G769P765-D767 PolarHBondContact O-N 2.92Å; P765-D767 VanDerWaalsContact O-N 3.08Å; D767-G769 PolarHBondContact O-N 2.97Å
768E38.5Very low40.3Very low111 Ų111109.7 Ų109.752%0.51968%0.675SS.*  trans-54.3111.3-164.9-178.5175.5-106.200112R162 G766R162-E768 IonicContact CZ-OE1 3.79Å; R162-E768 IonicContact CZ-OE2 2.81Å; R162-E768 IonicContact NH1-OE1 2.65Å; R162-E768 PolarHBondContact NH1-OE1 2.84Å; R162-E768 IonicContact NH1-OE2 2.98Å; R162-E768 PolarHBondContact NH1-OE2 3.27Å; R162-E768 IonicContact NH2-OE1 2.71Å; R162-E768 IonicContact NH2-OE2 3.6Å; R162-E768 PolarHBondContact NH2-OE2 2.68Å; G766-E768 PolarHBondContact O-N 2.71Å
769G45.5Very low40Very low52 Ų52107.5 Ų107.554%0.53666%0.655SS.*PPolyproline II helixtrans-61.3143.116900000109.9D767 P771D767-G769 PolarHBondContact O-N 2.97Å; G769-P771 WeakPolarHBondContact O-CD 3.28Å; G769-P771 VanDerWaalsContact O-N 3.16Å
770P38.3Very low39.5Very low126 Ų126102.4 Ų102.482%0.81864%0.636SS**PPolyproline II helixtrans-54.2123178.423-33.3000109.5G772P770-G772 PolarHBondContact O-N 2.93Å
771P43.7Very low39.2Very low81 Ų81101.8 Ų101.853%0.52663%0.629SS.*PPolyproline II helixtrans-57.1132.9-173.5-32.540.1000113M165 G769M165-P771 HydrophobicContact CE-CG 3.98Å; M165-P771 HydrophobicContact SD-CG 3.78Å; G769-P771 WeakPolarHBondContact O-CD 3.28Å; G769-P771 VanDerWaalsContact O-N 3.16Å
772G36.8Very low39.2Very low71 Ų7199.9 Ų99.973%0.73262%0.615SS**PPolyproline II helixtrans-70.8130.9-170.500000113P770P770-G772 PolarHBondContact O-N 2.93Å
773Q34.2Very low39.1Very low145 Ų14598.7 Ų98.768%0.67861%0.61SS**PPolyproline II helixtrans-64.2154.6169.7-81-170.6-32.500111.7D168D168-Q773 PolarHBondContact OD1-NE2 3.47Å
774P39.4Very low38.7Very low66 Ų6698.9 Ų98.943%0.42961%0.612SS.*PPolyproline II helixtrans-54.8137.4179.5-26.335.2000113.8
775G46.1Very low38.7Very low51 Ų5197.2 Ų97.253%0.52661%0.611SS.*PPolyproline II helixtrans-78130.117100000111.5
776D36.8Very low38.6Very low94 Ų9497.7 Ų97.750%0.50361%0.614SS.*  trans-161.7121.9171-131.21.8000110Q210 G211Q210-D776 HydrophobicContact CG-CB 4.1Å; Q210-D776 PolarHBondContact NE2-OD2 2.9Å; G211-D776 WeakPolarHBondContact CA-OD1 3.02Å
777S38.2Very low38.2Very low42 Ų4296.7 Ų96.729%0.29460%0.604SS.*  cis-173.3178.5-25.6-107.90000110.5I209 G211 E212I209-S777 CarbonylContact C-O 3.47Å; I209-S777 PolarHBondContact N-O 2.89Å; I209-S777 CarbonylContact O-C 3.07Å; G211-S777 WeakPolarHBondContact O-CB 3.44Å; E212-S777 PolarHBondContact N-OG 3.13Å
778G35Very low38Very low55 Ų5596.7 Ų96.757%0.56760%0.602SS**  trans53.8-153.4154.800000121.9I209I209-G778 CarbonylContact O-C 3.36Å; I209-G778 VanDerWaalsContact O-C 3.29Å; I209-G778 WeakPolarHBondContact O-CA 3.36Å; I209-G778 PolarHBondContact O-N 3.16Å
779I36.1Very low38.3Very low93 Ų9397.2 Ų97.248%0.47762%0.615SS.*  trans-45.9158-14881.5174.8000115.9D206 D207 G208 I209D206-I779 CarbonylContact O-C 3.53Å; D207-I779 CarbonylContact C-O 3.44Å; G208-I779 CarbonylContact C-O 3.54Å; G208-I779 VanDerWaalsContact CA-O 3.23Å; G208-I779 WeakPolarHBondContact CA-O 3.45Å; G208-I779 PolarHBondContact N-O 3.06Å; G208-I779 WeakPolarHBondContact O-CG1 3.1Å; I209-I779 HydrophobicContact CB-CG1 4.1Å; I209-I779 HydrophobicContact CD1-CB 4.48Å; I209-I779 HydrophobicContact CD1-CD1 3.86Å; I209-I779 HydrophobicContact CD1-CG1 4.04Å; I209-I779 HydrophobicContact CD1-CG2 3.84Å; I209-I779 HydrophobicContact CG1-CB 4.11Å; I209-I779 HydrophobicContact CG1-CD1 4.07Å; I209-I779 HydrophobicContact CG1-CG1 3.69Å; I209-I779 HydrophobicContact CG1-CG2 3.78Å; I209-I779 HydrophobicContact CG2-CD1 3.96Å; I209-I779 HydrophobicContact CG2-CG1 3.94Å; I209-I779 PolarHBondContact N-O 2.96Å; I209-I779 PolarHBondContact O-N 3.43Å
780R32.1Very low38Very low130 Ų13097.3 Ų97.349%0.49162%0.616SS.*  cis-86.8170.82.8-133.5-124.9-157.5121.1-15.3108.4D206D206-R780 HydrophobicContact CB-CB 3.88Å; D206-R780 PolarHBondContact O-N 2.97Å; D206-R780 IonicContact OD1-NH1 3.2Å; D206-R780 PolarHBondContact OD1-NH1 3.4Å; D206-R780 WeakPolarHBondContact OD2-CB 3.21Å; D206-R780 WeakPolarHBondContact OD2-CD 3.31Å; D206-R780 WeakPolarHBondContact OD2-CG 3.29Å; D206-R780 IonicContact OD2-CZ 3.96Å; D206-R780 IonicContact OD2-NE 3.59Å; D206-R780 IonicContact OD2-NH1 3.65Å; D206-R780 PolarHBondContact OD2-NH1 3.46Å
781G40Very low38.1Very low51 Ų5198 Ų9853%0.52662%0.62SS.*  cis76.1133.933.700000109.6
782E36.9Very low37.6Very low131 Ų13198.4 Ų98.461%0.61263%0.631SS**  cis-133.3148.9-9.8-64.8-173.78900106.3
783K37.2Very low37.5Very low168 Ų16898.8 Ų98.873%0.7364%0.635SS**  cis-154.1155.9-3.8-120.5163.7-176.7153.40105.4
784G37.7Very low37.5Very low63 Ų6399.7 Ų99.765%0.64964%0.643SS**  6056.265.500000110.9P786G784-P786 VanDerWaalsContact O-CD 3.3Å; G784-P786 WeakPolarHBondContact O-CD 3.33Å; G784-P786 VanDerWaalsContact O-N 3.11Å
785L37.4Very low37.1Very low161 Ų161106.7 Ų106.784%0.84367%0.666SS**  trans-41.8118.2171-79.1160.4000109.5G787L785-G787 PolarHBondContact O-N 3.22Å
786P38.2Very low36.6Very low123 Ų123107.8 Ų107.880%0.79968%0.678SS**  trans-58.8110.5156.1-14.830.1000105G784G784-P786 VanDerWaalsContact O-CD 3.3Å; G784-P786 WeakPolarHBondContact O-CD 3.33Å; G784-P786 VanDerWaalsContact O-N 3.11Å
787G34.2Very low36.7Very low55 Ų55111.1 Ų111.157%0.56769%0.694SS**  trans-57.3153.2-171.100000111.3L785 P789L785-G787 PolarHBondContact O-N 3.22Å; G787-P789 WeakPolarHBondContact O-CD 3.06Å
788I35.4Very low36.7Very low162 Ų162115.4 Ų115.483%0.83172%0.718SS**  trans-49.5113175.3-54.4173.1000107.8G790I788-G790 PolarHBondContact O-N 3.11Å; I788-G790 VanDerWaalsContact O-N 3.16Å
789P44.5Very low36.7Very low121 Ų121115.8 Ų115.879%0.78672%0.722SS**  trans-61.9122.9175.1-20.734.3000107.1G787G787-P789 WeakPolarHBondContact O-CD 3.06Å
790G40.9Very low36.8Very low54 Ų54120.2 Ų120.256%0.55774%0.741SS**  trans-57.3145.4-161.200000113.3I788 A792I788-G790 PolarHBondContact O-N 3.11Å; I788-G790 VanDerWaalsContact O-N 3.16Å; G790-A792 PolarHBondContact O-N 3.2Å
791P39.3Very low37.8Very low140 Ų140120.2 Ų120.291%0.90976%0.757SS**SBendtrans-72.173.7-178.929.7-35.6000112.8
792A34.2Very low37.7Very low91 Ų91120.8 Ų120.875%0.75276%0.764SS**  trans-155.4144.1162.400000107.5G790G790-A792 PolarHBondContact O-N 3.2Å
793G34.3Very low38.3Very low78 Ų78122.2 Ų122.280%0.80478%0.776SS**  cis-96142.720.600000117.3
794I33.8Very low38.5Very low165 Ų165120.6 Ų120.685%0.84678%0.782SS**  trans-60.6140.3156.840.5169.4000112
795K30.5Very low38.4Very low212 Ų212121.1 Ų121.192%0.92279%0.787SS**  trans64.291.3149.2-163.4175.9-173.7174.40118.1
796G35Very low38.4Very low75 Ų75122.7 Ų122.777%0.77379%0.79SS**  trans173.6100.4162.600000110.3
797I39.6Very low38.4Very low163 Ų163126.3 Ų126.384%0.83680%0.797SS**SBendcis-124.5162.911.2-65.6166.4000109.9G799I797-G799 PolarHBondContact O-N 3.27Å
798V37.8Very low38.4Very low133 Ų133126.8 Ų126.881%0.80680%0.802SS**  trans-24.7124161.8-177.50000111.4
799G35.4Very low38.1Very low63 Ų63124.3 Ų124.365%0.64980%0.799SS**  96.7151.266.200000108.3I797I797-G799 PolarHBondContact O-N 3.27Å
800E38.2Very low37.9Very low186 Ų186124.9 Ų124.987%0.86980%0.802SS**  cis-115.2171.950-66-159.1108.200115.7
801P53.7Low37.8Very low129 Ų129125.7 Ų125.784%0.83881%0.811SS**  trans-74.1165.3-174.6-16.533000114.6
802G37.9Very low37.5Very low64 Ų64126.5 Ų126.566%0.6681%0.813SS**  trans-98.9179.1-175.700000116.6
803D48.6Very low37.6Very low161 Ų161127.9 Ų127.986%0.86182%0.817SS**  trans55.999.4151.5-47.9-23.8000119
804P42.9Very low38Very low133 Ų133127.9 Ų127.986%0.86482%0.817SS**  -109.3155.4121-9.928.4000111.4
805G35.6Very low38.2Very low74 Ų74125.2 Ų125.276%0.76382%0.819SS**  cis113.4135.317.500000110
806E37.3Very low38.4Very low194 Ų194119.8 Ų119.891%0.90782%0.815SS**SBendtrans-66.5156.4-155.4-59.3178.5123.100117.4
807Q37.8Very low38.4Very low199 Ų199119.8 Ų119.893%0.9382%0.815SS**  trans66.8105.1158.1-168.3172.4-34.700120.6
808G33.4Very low38.3Very low65 Ų65117.6 Ų117.667%0.6781%0.808SS**  trans179.6128.4156.600000108.8
809S28.9Very low38.3Very low110 Ų110117.9 Ų117.977%0.76981%0.81SS**  cis67.5126.734.2107.20000112.8
810P40.3Very low38.5Very low133 Ų133117.9 Ų117.986%0.86481%0.81SS**  -107.4129.4-117.9-323.2000117.2
811G39.1Very low38.3Very low72 Ų72115.9 Ų115.974%0.74281%0.811SS**  trans74.6125.613300000121
812V32.8Very low37.5Very low156 Ų156118.1 Ų118.195%0.94581%0.807SS**  trans-154.1168149.5-108.90000111.3
813S36.5Very low37.6Very low121 Ų121118 Ų11885%0.84681%0.806SS**  trans-106.6129.2-155.3-430000116.5
814G42.5Very low37Very low77 Ų77116.4 Ų116.479%0.79480%0.798SS**  trans69.1177.3131.900000122.3
815A37.8Very low37Very low109 Ų109117 Ų11790%0.90180%0.799SS**  trans66.5119.1162.300000121.4
816A35.2Very low37.4Very low99 Ų99116.5 Ų116.582%0.81879%0.793SS**  -157.4136.1124.800000108.7V818A816-V818 HydrophobicContact CB-CG2 4.45Å
817G34.3Very low37.4Very low75 Ų75113.8 Ų113.877%0.77379%0.785SS**  cis167.8-143.4-600000108.6
818V37.7Very low37.7Very low116 Ų116112 Ų11270%0.70378%0.78SS**  cis-153137-10.5-166.90000106.5A816A816-V818 HydrophobicContact CB-CG2 4.45Å
819T38.6Very low38.2Very low139 Ų139111.9 Ų111.985%0.85378%0.779SS**  trans57.2140.4165.639.40000119.8
820G38.5Very low38.8Very low63 Ų63112.8 Ų112.865%0.64978%0.782SS**  cis175147.3-6.500000115
821V35.1Very low38.6Very low145 Ų145113.8 Ų113.888%0.87979%0.786SS**  trans30115.6144.2-139.50000118.2
822K35.9Very low38.5Very low176 Ų176113.4 Ų113.477%0.76578%0.781SS**  174131.992.6-178.7-178.9174-166.20114.2D824K822-D824 WeakPolarHBondContact CE-OD2 3.44Å; K822-D824 IonicContact NZ-OD2 3.35Å
823G41.4Very low38.6Very low62 Ų62114.2 Ų114.264%0.63978%0.78SS**  trans85.5163.3142.100000117.9
824D34.9Very low38.7Very low127 Ų127120 Ų12068%0.67978%0.783SS**  cis-161.3169.6-13.6-92.8-41.1000108.1K822K822-D824 WeakPolarHBondContact CE-OD2 3.44Å; K822-D824 IonicContact NZ-OD2 3.35Å
825V42.5Very low38.3Very low145 Ų145119.5 Ų119.588%0.87978%0.779SS**  trans70.5132.9177.5-166.70000114.3
826G45.2Very low38.6Very low63 Ų63125.6 Ų125.665%0.64978%0.78SS**  cis165-177.5-0.900000108
827D36.8Very low39.3Very low137 Ų137126.9 Ų126.973%0.73378%0.78SS**  cis-170.7147.3-21.3-120.4-43000107.2
828I44Very low39.6Very low162 Ų162126.2 Ų126.283%0.83177%0.774SS**  trans66.7140.3167.4-54.8153.4000115.1
829G43.4Very low39.4Very low62 Ų62127.2 Ų127.264%0.63978%0.782SS**  cis116.4141.93.600000112.4
830P41.4Very low39.2Very low130 Ų130129 Ų12984%0.84478%0.778SS**  cis-125-172.1-2.842.8-26.4000115
831V37.9Very low39.2Very low154 Ų154129 Ų12993%0.93378%0.778SS**  trans-43.2137.7-175.3-1760000118.7
832G35.8Very low38.8Very low63 Ų63130.4 Ų130.465%0.64978%0.775SS**  trans118.8144.8167.500000113.2
833D35.7Very low38.7Very low173 Ų173128.6 Ų128.693%0.92577%0.767SS**  cis-151.4-177.84.5-121.3-35.8000113.4
834R38.4Very low38.8Very low242 Ų242129.2 Ų129.291%0.91377%0.774SS**  trans-99.8142.8-152.8164.9-168.3-179.9-175.21.3118.8
835G34.6Very low38.5Very low68 Ų68129.5 Ų129.570%0.70178%0.775SS**  trans135.6142161.700000113.6
836Y43.9Very low38.6Very low237 Ų237128.1 Ų128.193%0.92977%0.769SS**  cis-120.7172.132-82.3-97.3000115
837P48.7Very low37.9Very low125 Ų125128 Ų12881%0.81277%0.768SS**  trans-112.7172.3-167.640.5-30.1000115.7
838G42.2Very low38.1Very low62 Ų62130.7 Ų130.764%0.63978%0.776SS**  trans-123.9-177.5177.100000114.9K840G838-K840 PolarHBondContact O-N 2.94Å
839P32.4Very low38.1Very low137 Ų137129.1 Ų129.189%0.8978%0.776SS**SBendtrans-7095.7178.928.8-34.3000112.1
840K34.4Very low38.4Very low175 Ų175130.1 Ų130.176%0.76179%0.787SS**  trans32.3100.6136.1-172.3-165.4175.4-162.50116.2G838G838-K840 PolarHBondContact O-N 2.94Å
841G37.8Very low39Very low63 Ų63129.2 Ų129.265%0.64979%0.79SS**  trans-77.7157.5154.700000111.9
842E26.9Very low39.6Very low175 Ų175124.9 Ų124.982%0.81878%0.777SS**  trans-92.6116.9146.1-59.6-164.1160.100105.5
843K33.8Very low40.1Very low138 Ų138130 Ų13060%0.679%0.787SS**  cis64.872.144.3-155.6-158.6174.5-170.40113.2L845 P846K843-L845 HydrophobicContact CD-CB 4.3Å; K843-L845 VanDerWaalsContact CE-O 3.3Å; K843-L845 WeakPolarHBondContact CE-O 3.47Å; K843-L845 HydrophobicContact CG-CB 3.87Å; K843-L845 PolarHBondContact NZ-O 2.67Å; K843-P846 PolarHBondContact NZ-O 3.2Å
844G44.4Very low40.9Very low76 Ų76127.5 Ų127.578%0.78478%0.781SS**  -71.7125.7126.800000108.8
845L29.1Very low41.2Very low133 Ų133119.5 Ų119.570%0.69677%0.773SS**  trans-179.4139.6164.4-106.9171.3000108.9K843K843-L845 HydrophobicContact CD-CB 4.3Å; K843-L845 VanDerWaalsContact CE-O 3.3Å; K843-L845 WeakPolarHBondContact CE-O 3.47Å; K843-L845 HydrophobicContact CG-CB 3.87Å; K843-L845 PolarHBondContact NZ-O 2.67Å
846P44.5Very low41.5Very low116 Ų116123.3 Ų123.375%0.75377%0.773SS**  trans-56172.9170.4-27.237.6000114.7K843K843-P846 PolarHBondContact NZ-O 3.2Å
847G30.4Very low41.5Very low61 Ų61121.5 Ų121.563%0.62976%0.764SS**  trans-94.8172.5-16100000118
848Q40.7Very low41.2Very low193 Ų193118.3 Ų118.390%0.90275%0.754SS**  trans70.3158.7166.7-64.9179.5-27.700117.7
849P42.9Very low41.1Very low129 Ų129124.9 Ų124.984%0.83877%0.768SS**  cis-137.9172.8-37.537.9-21.9000114.6
850G49.9Very low41.5Very low83 Ų83122.9 Ų122.986%0.85676%0.755SS**  trans135.114415800000118.6
851A54.3Low42Very low110 Ų110118 Ų11891%0.90975%0.754SS**  trans-101174.2-174.300000114
852G51.9Low41.6Very low64 Ų64126.4 Ų126.466%0.6677%0.766SS**  cis155.1-176-8.100000114.1
853I45.9Very low41.9Very low170 Ų170123.1 Ų123.187%0.87276%0.76SS**  trans58.7165.3159.550.7169.1000121.1
854P51Low42.4Very low121 Ų121120.3 Ų120.379%0.78677%0.77SS**  cis-134.6166.1-11.928.9-7.9000117.7
855G44.7Very low41.5Very low73 Ų73123.7 Ų123.775%0.75377%0.769SS**  trans95.4139.6142.600000118.2
856E41.4Very low42.1Very low148 Ų148122.5 Ų122.569%0.69277%0.769SS**  cis-148.5144.6-0.4-96.2-137.387.100112.7
857R43.4Very low42.3Very low200 Ų200117.7 Ų117.776%0.75574%0.741SS**  trans52.7130136.6-156-169.4-51179.57.9119.9
858G42.4Very low42.7Very low57 Ų57118.2 Ų118.259%0.58873%0.733SS**SBendcis144142.72.700000111.1P860G858-P860 VanDerWaalsContact CA-CD 3.5Å
859E40.9Very low43.1Very low201 Ų201115.9 Ų115.994%0.93972%0.72SS**  -100.3116.755.9-59.4-167.3116.800116.4
860P41.1Very low43.2Very low95 Ų95111.5 Ų111.562%0.61770%0.697SS**  trans-57145.1143.4-1531000109.3G858G858-P860 VanDerWaalsContact CA-CD 3.5Å
861G45.2Very low42.3Very low72 Ų72112.6 Ų112.674%0.74269%0.692SS**  cis73.372.936.300000108.9
862R28.9Very low41.5Very low239 Ų239115.3 Ų115.390%0.90269%0.686SS**  trans-110.4146.7171.8-83.9-164.8173.4-135.3-1.8110.8
863P34.1Very low41.3Very low107 Ų107115.3 Ų115.370%0.69569%0.686SS**  -101.6165.5-125.6-7.828000114
864G43.3Very low40.7Very low78 Ų78113.3 Ų113.380%0.80468%0.677SS**  trans-64.6146.3162.500000111.6
865I26.3Very low40.3Very low148 Ų148113.9 Ų113.976%0.75968%0.681SS**  trans-151.9145.2175.619171.7000108.6
866P41.4Very low39.7Very low108 Ų108113.7 Ų113.770%0.70168%0.678SS**  cis-130-83.6-47.927.5-9.1000108.2
867G48Very low39.4Very low15 Ų15113.9 Ų113.916%0.15568%0.683CS.*  trans-174.9139.713800000114R346 D347R346-G867 CarbonylContact C-O 3.14Å; R346-G867 WeakPolarHBondContact CA-O 3.01Å; R346-G867 WeakPolarHBondContact CB-O 3.5Å; R346-G867 CarbonylContact O-C 3.59Å; R346-G867 VanDerWaalsContact O-C 3.28Å; R346-G867 WeakPolarHBondContact O-CA 3.36Å; D347-G867 CarbonylContact O-C 3.4Å; D347-G867 VanDerWaalsContact O-C 3.3Å; D347-G867 WeakPolarHBondContact O-CA 3.45Å
868P40Very low39.1Very low72 Ų72112 Ų11247%0.46869%0.686SS.*  trans-118125.6144.6-5.928.2000116.9D347 G870D347-P868 VanDerWaalsContact N-C 3.28Å; D347-P868 CarbonylContact O-C 3.3Å; D347-P868 WeakPolarHBondContact O-CA 3.28Å; P868-G870 VanDerWaalsContact C-N 3.27Å; P868-G870 CarbonylContact C-O 3.06Å; P868-G870 WeakPolarHBondContact CB-O 3.48Å; P868-G870 CarbonylContact O-C 3.46Å; P868-G870 PolarHBondContact O-N 3.13Å
869K49Very low38.7Very low144 Ų144112.3 Ų112.363%0.62669%0.689SS**SBendtrans-63.483.6167.8-170.8168.4-179.9174.40110.1R346 D347R346-K869 VanDerWaalsContact CD-N 3.32Å; R346-K869 HydrophobicContact CG-CB 3.67Å; R346-K869 PolarHBondContact NE-O 3.32Å; R346-K869 PolarHBondContact NH1-O 2.92Å; D347-K869 HydrophobicContact CB-CB 4.24Å; D347-K869 VanDerWaalsContact CG-CB 3.41Å; D347-K869 WeakPolarHBondContact OD2-CB 3.05Å; D347-K869 WeakPolarHBondContact OD2-CD 3.44Å; D347-K869 WeakPolarHBondContact OD2-CG 3.27Å
870G43.8Very low38.7Very low36 Ų36110.2 Ų110.237%0.37169%0.685SS.*SBendtrans68.2142.6-156.400000111R346 P868R346-G870 PolarHBondContact NH1-O 2.88Å; P868-G870 VanDerWaalsContact C-N 3.27Å; P868-G870 CarbonylContact C-O 3.06Å; P868-G870 WeakPolarHBondContact CB-O 3.48Å; P868-G870 CarbonylContact O-C 3.46Å; P868-G870 PolarHBondContact O-N 3.13Å
871S31.9Very low38.7Very low107 Ų107111.7 Ų111.775%0.74870%0.697SS**  cis-164.9175.2-1.445.30000109.6
872Q37.2Very low38.8Very low167 Ų167111.4 Ų111.478%0.7869%0.694SS**  trans-26.7147.9158.7179.3-173.7-10.400115.3D874Q872-D874 PolarHBondContact NE2-OD1 2.84Å
873G47.2Very low39.1Very low63 Ų63107.8 Ų107.865%0.64969%0.693SS**  cis164.2-146.11.100000112.7
874D33Very low39.6Very low129 Ų129108 Ų10869%0.6969%0.694SS**  trans75.7169.4159.7-44.8-22.8000117.9Q872Q872-D874 PolarHBondContact NE2-OD1 2.84Å
875P43.6Very low39.5Very low133 Ų133107.4 Ų107.486%0.86469%0.688SS**  -141.7-179.5-6642.9-28.2000115.7
876G32.6Very low40.4Very low68 Ų68107.8 Ų107.870%0.70169%0.691SS**  trans121.4141.4152.400000116.3
877I34.2Very low40.5Very low152 Ų152109.4 Ų109.478%0.77969%0.693SS**  cis-152.1141.71.839.6170.2000111.8
878I37.4Very low39.8Very low160 Ų160111.5 Ų111.582%0.82172%0.715SS**  trans49.8129.2142.3-53163.1000118
879G33.7Very low39.7Very low64 Ų64119.3 Ų119.366%0.6674%0.735SS**  cis-158.8-171.75.100000110.3
880D40.6Very low38.9Very low158 Ų158118.7 Ų118.785%0.84575%0.746SS**  cis-138.9165.219.4-78.5-43.8000114.3
881S41.5Very low38.2Very low125 Ų125119.8 Ų119.887%0.87476%0.758SS**  trans-61.2154.9165.6-56.10000112.2
882G48Very low38.4Very low66 Ų66123.4 Ų123.468%0.6877%0.767SS**  cis161.5121.6-500000111.2
883D35.3Very low38.2Very low164 Ų164119.8 Ų119.888%0.87777%0.766SS**  trans-127.3145.8178.3-96.8-51.1000110.1
884P42.8Very low37.5Very low111 Ų111120.6 Ų120.672%0.72177%0.774SS**  -138.9158.6-10736.2-19.1000116
885G42.9Very low37.5Very low65 Ų65121.9 Ų121.967%0.6778%0.776SS**  trans81.7119134.700000118.6
886L43.7Very low37Very low157 Ų157124.2 Ų124.282%0.82277%0.768SS**  trans69.9131.7149.5-44.3-178.9000116.4
887D43.6Very low37.3Very low141 Ų141124.6 Ų124.675%0.75477%0.771SS**  cis-155.6163.3-3.7-122.9-25.3000111.6
888G33.5Very low37.1Very low60 Ų60124 Ų12462%0.61977%0.77SS**  trans-71146.5167.600000111.5
889R37.5Very low37.2Very low236 Ų236123.6 Ų123.689%0.89177%0.768SS**  trans-126.7109.6153.6-80.2-160.8170.3-156.5-3.8111.2
890P32Very low37.3Very low130 Ų130123.1 Ų123.184%0.84476%0.762SS**  trans-61.8155.6153.1-1832.5000110.7
891G30.9Very low37.2Very low60 Ų60121.7 Ų121.762%0.61976%0.762SS**  trans83.6142.7-169.400000111.3
892L35.9Very low37.5Very low183 Ų183121.3 Ų121.396%0.95876%0.756SS**  cis-94.8115.624.9-60169.8000113.8
893A32.3Very low37Very low91 Ų91121.2 Ų121.275%0.75276%0.755SS**  trans-72.8156.5143.300000108
894G32.7Very low37Very low79 Ų79122.1 Ų122.181%0.81476%0.759SS**  trans-74.8132.1-164.800000115.7
895E32Very low36.9Very low156 Ų156124.9 Ų124.973%0.72976%0.762SS**  trans-133.1149135.3-71.6-150.9136.900106.9
896R34.3Very low36.6Very low183 Ų183124.4 Ų124.469%0.69176%0.757SS**  cis-145.9152-20.3167.5174.5-80.496.97.8104.9D898R896-D898 PolarHBondContact O-N 2.68Å
897G37.9Very low36Very low75 Ų75123.6 Ų123.677%0.77375%0.754SS**  trans-72.3126.5-176.700000112.1
898D30.7Very low36.3Very low141 Ų141121.8 Ų121.875%0.75475%0.75SS**  trans-117114.9169.5-83.4-52.6000110.4R896R896-D898 PolarHBondContact O-N 2.68Å
899I40.1Very low36.4Very low151 Ų151122.1 Ų122.177%0.77475%0.753SS**  trans60113.9150.5-52170000115.7
900G34.8Very low36.8Very low53 Ų53116.4 Ų116.455%0.54675%0.747SS.*  trans-63175.6173.500000113P902G900-P902 VanDerWaalsContact O-CD 3.25Å; G900-P902 WeakPolarHBondContact O-CD 3.36Å
901P37.7Very low36.9Very low129 Ų129116.3 Ų116.384%0.83875%0.749SS**PPolyproline II helixtrans-52.8119.9176.324-33.6000109.1G903P901-G903 PolarHBondContact O-N 2.97Å
902P48.2Very low37.4Very low117 Ų117117.2 Ų117.276%0.7676%0.759SS**PPolyproline II helixtrans-53.6137.7172.2-25.135.3000108.3G900G900-P902 VanDerWaalsContact O-CD 3.25Å; G900-P902 WeakPolarHBondContact O-CD 3.36Å
903G39.1Very low37.3Very low63 Ų63112.4 Ų112.465%0.64975%0.753SS**PPolyproline II helixtrans-55.2156.1178.400000110.6P901 Q905P901-G903 PolarHBondContact O-N 2.97Å; G903-Q905 VanDerWaalsContact C-N 3.3Å; G903-Q905 PolarHBondContact O-N 2.75Å
904L33.9Very low37.4Very low184 Ų184113.2 Ų113.296%0.96376%0.76SS**  trans-56.8101.4166.3-71.3172.2000107.4G906L904-G906 PolarHBondContact O-N 2.71Å
905Q40.9Very low37.4Very low168 Ų168112.5 Ų112.579%0.78575%0.753SS**  trans-7198.4-175.8-179.6174.8-9.500107.2G903G903-Q905 VanDerWaalsContact C-N 3.3Å; G903-Q905 PolarHBondContact O-N 2.75Å
906G37.8Very low37.3Very low55 Ų55113.2 Ų113.257%0.56776%0.76SS**  trans-55.2154.5173.700000111.2L904 P908L904-G906 PolarHBondContact O-N 2.71Å; G906-P908 WeakPolarHBondContact O-CD 3.43Å; G906-P908 VanDerWaalsContact O-N 3.15Å
907D30.5Very low37.6Very low140 Ų140113.9 Ų113.975%0.74977%0.768SS**  trans-44.5117.2-171.2-57.6-75.5000112.2G909D907-G909 PolarHBondContact O-N 2.98Å
908P49.6Very low37.7Very low103 Ų103113.5 Ų113.567%0.66976%0.764SS**  trans-62.494.8-179.1-28.437.8000112.8G906G906-P908 WeakPolarHBondContact O-CD 3.43Å; G906-P908 VanDerWaalsContact O-N 3.15Å
909G35.9Very low37.7Very low67 Ų67115.2 Ų115.269%0.69177%0.771SS**  trans-54.2140171.200000111.4D907D907-G909 PolarHBondContact O-N 2.98Å
910P45Very low37.7Very low116 Ų116115.9 Ų115.975%0.75377%0.774SS**  trans-83.7145.1-154.631.2-37.5000115
911S34.1Very low38.1Very low129 Ų129116 Ų11690%0.90278%0.776SS**  trans-160.6140.3160.1-75.30000109.9
912G42.1Very low38.4Very low79 Ų79117 Ų11781%0.81477%0.774SS**  cis173.963.6-3.700000115.5
913G32.8Very low38.7Very low81 Ų81117.7 Ų117.784%0.83578%0.779SS**  trans74.3172.817600000114.8
914A35.4Very low38.8Very low108 Ų108117.8 Ų117.889%0.89378%0.779SS**  cis-159.3162.1-12.700000108.4
915G33.2Very low39.1Very low65 Ų65116.9 Ų116.967%0.6778%0.775SS**  cis169.9145.3-7.500000112.5
916I29.8Very low39.2Very low171 Ų171115 Ų11588%0.87778%0.78SS**  trans-162.9149.4167.833.7169.3000106.5
917K39.8Very low39.4Very low197 Ų197115.2 Ų115.286%0.85778%0.783SS**  cis-165.2127.6-3.9157.3-175.7177.9-178.50108.3
918G39.4Very low39.8Very low67 Ų67117.3 Ų117.369%0.69179%0.789SS**  trans61.9104.3158.700000118I920G918-I920 PolarHBondContact O-N 2.04Å
919I32.3Very low39.8Very low176 Ų176118.4 Ų118.490%0.90380%0.795SS**  trans-35.1115.3160.433.4170.2000113.9
920I40.4Very low40.2Very low166 Ų166118.3 Ų118.385%0.85180%0.795SS**PPolyproline II helixtrans-97.6120.3142-67.1176.5000104.2G918G918-I920 PolarHBondContact O-N 2.04Å
921G42.8Very low40.1Very low56 Ų56120.7 Ų120.758%0.57780%0.8SS**PPolyproline II helixtrans-67.7155.6176.500000110.9
922D42.5Very low40.9Very low149 Ų149120.3 Ų120.380%0.79780%0.795SS**PPolyproline II helixtrans-51.2149170.8-54.1-79.7000110.6G924D922-G924 VanDerWaalsContact C-N 3.31Å; D922-G924 PolarHBondContact O-N 2.97Å
923P54.4Low41Very low132 Ų132119.9 Ų119.986%0.85779%0.79SS**  trans-57.5101.3165.1-17.931.2000107.3D925P923-D925 PolarHBondContact O-N 2.89Å
924G42.7Very low41.5Very low64 Ų64127.5 Ų127.566%0.6679%0.794SS**  trans-54.6142.1-169.600000110.8D922 S926D922-G924 VanDerWaalsContact C-N 3.31Å; D922-G924 PolarHBondContact O-N 2.97Å; G924-S926 PolarHBondContact O-N 2.95Å
925D40.7Very low42.3Very low166 Ų166128.3 Ų128.389%0.88879%0.79SS**  trans-42.4130-178.3-70.2-58.8000110.2P923 G927P923-D925 PolarHBondContact O-N 2.89Å; D925-G927 PolarHBondContact O-N 2.92Å
926S42.1Very low42.5Very low127 Ų127128.4 Ų128.489%0.88879%0.791SS**  trans-63.894177.3-70.50000107.7G924 E928G924-S926 PolarHBondContact O-N 2.95Å; S926-E928 PolarHBondContact O-N 3.28Å
927G41Very low42.8Very low61 Ų61127.8 Ų127.863%0.62979%0.788SS**  trans-51.8139.6-166.800000111.3D925D925-G927 PolarHBondContact O-N 2.92Å
928E40.5Very low43.3Very low184 Ų184124.1 Ų124.186%0.8678%0.784SS**  trans-43.1127.1-179.7-65.4-172.2122.200109.9S926 G930S926-E928 PolarHBondContact O-N 3.28Å; E928-G930 PolarHBondContact O-N 3.31Å
929P49.8Very low43.3Very low125 Ų125124.5 Ų124.581%0.81279%0.788SS**  trans-51.1107.5-178.3-30.336.2000110.5L931P929-L931 PolarHBondContact O-N 3.47Å; P929-L931 VanDerWaalsContact O-N 3.13Å
930G42.7Very low43.7Very low66 Ų66123.1 Ų123.168%0.6878%0.783SS**  trans-54.9121.9-164.500000111E928 P932E928-G930 PolarHBondContact O-N 3.31Å; G930-P932 VanDerWaalsContact O-N 3.1Å
931L43.1Very low43.3Very low166 Ų166125.3 Ų125.387%0.86979%0.786SS**  trans-40.6117.8-175-73172.7000110.4P929 G933P929-L931 PolarHBondContact O-N 3.47Å; P929-L931 VanDerWaalsContact O-N 3.13Å; L931-G933 PolarHBondContact O-N 3.42Å
932P51.7Low43.1Very low121 Ų121125.9 Ų125.979%0.78679%0.792SS**PPolyproline II helixtrans-50.3116.5-176-31.636.4000110.8G930 R934G930-P932 VanDerWaalsContact O-N 3.1Å; P932-R934 PolarHBondContact O-N 3.44Å; P932-R934 VanDerWaalsContact O-N 3.11Å
933G43.6Very low42.8Very low70 Ų70130.2 Ų130.272%0.72280%0.798SS**PPolyproline II helixtrans-56119.9-169.300000110.7L931 P935L931-G933 PolarHBondContact O-N 3.42Å; G933-P935 WeakPolarHBondContact O-CD 3.26Å; G933-P935 VanDerWaalsContact O-N 3.11Å
934R43.8Very low41.7Very low241 Ų241129 Ų12991%0.90979%0.791SS**PPolyproline II helixtrans-47119.5-179.4-74.5-175.2174.4-166.1-1.7109.6P932 G936P932-R934 PolarHBondContact O-N 3.44Å; P932-R934 VanDerWaalsContact O-N 3.11Å; R934-G936 PolarHBondContact O-N 3.23Å
935P51.7Low41.2Very low124 Ų124129.9 Ų129.981%0.80578%0.78SS**PPolyproline II helixtrans-53.4127.5172.3-27.636.2000109.7G933 I937G933-P935 WeakPolarHBondContact O-CD 3.26Å; G933-P935 VanDerWaalsContact O-N 3.11Å; P935-I937 PolarHBondContact O-N 3.4Å
936G37.7Very low40.9Very low68 Ų68124.1 Ų124.170%0.70176%0.76SS**PPolyproline II helixtrans-61135.1-174.500000111.4R934 P938R934-G936 PolarHBondContact O-N 3.23Å; G936-P938 WeakPolarHBondContact O-CD 3.44Å; G936-P938 VanDerWaalsContact O-N 3.12Å
937I36.4Very low40.6Very low158 Ų158120.4 Ų120.481%0.8174%0.737SS**  trans-54.2113.1-175-55169.3000110.2P935 G939P935-I937 PolarHBondContact O-N 3.4Å; I937-G939 PolarHBondContact O-N 2.7Å
938P50.9Low40.3Very low120 Ų120120.6 Ų120.678%0.77973%0.733SS**PPolyproline II helixtrans-68.6125.2167.9-14.731.6000108.2G936G936-P938 WeakPolarHBondContact O-CD 3.44Å; G936-P938 VanDerWaalsContact O-N 3.12Å
939G38.1Very low40Very low75 Ų75119.2 Ų119.277%0.77373%0.731SS**PPolyproline II helixtrans-68.9132.7-163.800000115.3I937 K941I937-G939 PolarHBondContact O-N 2.7Å; G939-K941 PolarHBondContact O-N 2.87Å
940D40.6Very low39.3Very low147 Ų147122.8 Ų122.879%0.78673%0.734SS**PPolyproline II helixtrans-60.1124.9171.9-87-54.4000113.5
941K32.7Very low38.7Very low211 Ų211123 Ų12392%0.91774%0.736SS**  174129.6126.1-90.9145.4-164.7162.80111.5G939G939-K941 PolarHBondContact O-N 2.87Å
942G38Very low38.5Very low69 Ų69124.2 Ų124.271%0.71174%0.737SS**  cis157.2176.8-1000000114.3
943R35.6Very low38.1Very low240 Ų240124.2 Ų124.291%0.90674%0.738SS**  trans65.9100.7173.3-69.5-177.3165.8-159.3-5.3116.3
944C31.6Very low38.1Very low107 Ų107124.4 Ų124.472%0.72374%0.739SS**  86.8143.584.7-78.70000113.4
945L32.1Very low38.5Very low82 Ų82118.5 Ų118.543%0.42973%0.732SS.*  cis-151.3-179.320.6-58.1168.4000110.4G1519 L1520 K1521L945-G1519 WeakPolarHBondContact CB-O 3.46Å; L945-G1519 WeakPolarHBondContact CD1-O 3.35Å; L945-L1520 VanDerWaalsContact CB-O 3.28Å; L945-L1520 WeakPolarHBondContact CB-O 3.32Å; L945-K1521 HydrophobicContact CD1-CB 3.92Å; L945-K1521 HydrophobicContact CD2-CB 3.9Å; L945-K1521 HydrophobicContact CD2-CD 3.72Å; L945-K1521 HydrophobicContact CD2-CG 3.7Å
946G35.6Very low38.4Very low45 Ų45118.5 Ų118.546%0.46473%0.732SS.*  cis148.7169.9-10.500000116.4L1520G946-L1520 CarbonylContact C-O 3.54Å; G946-L1520 WeakPolarHBondContact CA-O 3.46Å; G946-L1520 PolarHBondContact O-N 3.29Å
947A34.7Very low39Very low48 Ų48118.4 Ų118.440%0.39773%0.731SS.*  trans56.8168.2168.400000123.6L1520 K1521 G1522A947-L1520 HydrophobicContact CB-CB 3.2Å; A947-L1520 HydrophobicContact CB-CD1 4.2Å; A947-L1520 HydrophobicContact CB-CG 4.31Å; A947-L1520 PolarHBondContact N-O 2.9Å; A947-K1521 VanDerWaalsContact CB-O 3.31Å; A947-K1521 WeakPolarHBondContact CB-O 3.26Å; A947-G1522 VanDerWaalsContact CB-CA 3.49Å; A947-G1522 VanDerWaalsContact CB-N 3.27Å
948A35Very low39.7Very low66 Ų66117 Ų11755%0.54573%0.733SS.*  trans-70.9167.9-163.600000115.7L1520A948-L1520 WeakPolarHBondContact O-CD1 3.01Å
949D35.2Very low39.5Very low154 Ų154120.5 Ų120.582%0.82474%0.738SS**  cis-148.915910.7-143.4-22000114.5
950K33.5Very low40.1Very low200 Ų200119.6 Ų119.687%0.8773%0.729SS**  trans34.6109158.3-162.4175.6-173.6179.10120.6
951G32.1Very low40.4Very low71 Ų71118.7 Ų118.773%0.73273%0.731SS**  trans150.489.2141.100000118.7
952E38.2Very low41Very low191 Ų191117 Ų11789%0.89373%0.726SS**  trans-172.3159.7136.7-109.6174.7-163.200110.6
953P43.8Very low41.4Very low122 Ų122116.9 Ų116.979%0.79273%0.725SS**PPolyproline II helixtrans-64.5150.4178.6-22.234.8000113.6
954G43.1Very low41.4Very low73 Ų73114.5 Ų114.575%0.75373%0.725SS**PPolyproline II helixtrans-67.1132.7-175.300000113.5
955P51.1Low41.8Very low117 Ų117117.7 Ų117.776%0.7673%0.726SS**PPolyproline II helixtrans-64.7153.3165.429.7-34.4000110.1
956P49.8Very low42.3Very low125 Ų125116.7 Ų116.781%0.81274%0.736SS**PPolyproline II helixtrans-52.2144.7171.5-26.535.3000111.7
957G51.4Low42.5Very low66 Ų66123.3 Ų123.368%0.6876%0.755SS**PPolyproline II helixtrans-55.8143.1-179.300000111.8E959G957-E959 PolarHBondContact O-N 3.08Å
958P51.3Low43Very low129 Ų129126.3 Ų126.384%0.83877%0.77SS**PPolyproline II helixtrans-58.8140.8178.526-34.4000110.2G960P958-G960 PolarHBondContact O-N 3.02Å
959E45.1Very low43.4Very low192 Ų192126.5 Ų126.590%0.89778%0.779SS**PPolyproline II helixtrans-52132.6172-171.1171.1-16800109.5G957G957-E959 PolarHBondContact O-N 3.08Å
960G52.5Low43.5Very low56 Ų56127.6 Ų127.658%0.57778%0.784SS**PPolyproline II helixtrans-57.1143.2-179.400000110.4P958 E962P958-G960 PolarHBondContact O-N 3.02Å; G960-E962 PolarHBondContact O-N 3.06Å
961P46.6Very low43.7Very low128 Ų128130 Ų13083%0.83179%0.787SS**PPolyproline II helixtrans-54.8130.9-176.823.7-34.2000110.3G963P961-G963 PolarHBondContact O-N 2.97Å
962E45.4Very low43.9Very low175 Ų175130 Ų13082%0.81879%0.786SS**  trans-42.5111.9-176.2-173.4-172.8169.200110.2G960 Q964G960-E962 PolarHBondContact O-N 3.06Å; E962-Q964 PolarHBondContact O-N 3.27Å; E962-Q964 VanDerWaalsContact O-N 3.17Å
963G45.5Very low43.7Very low67 Ų67126 Ų12669%0.69179%0.787SS**  trans-54.6124.2-175.200000109.5P961 K965P961-G963 PolarHBondContact O-N 2.97Å; G963-K965 PolarHBondContact O-N 3.33Å
964Q36.2Very low43.2Very low191 Ų191130.2 Ų130.289%0.89379%0.792SS**  trans-44.5118.3-163.9-71.6-172.61000111.6E962 G966E962-Q964 PolarHBondContact O-N 3.27Å; E962-Q964 VanDerWaalsContact O-N 3.17Å; Q964-G966 PolarHBondContact O-N 2.99Å
965K39.5Very low42.9Very low173 Ų173129.8 Ų129.875%0.75279%0.788SS**  trans-41.9104.7178.9176.6179.5177.8174.80110.8G963G963-K965 PolarHBondContact O-N 3.33Å
966G43.6Very low42Very low61 Ų61134.1 Ų134.163%0.62980%0.798SS**  trans-53.5148.2173.500000110.6Q964Q964-G966 PolarHBondContact O-N 2.99Å
967E38.3Very low41.4Very low185 Ų185136.9 Ų136.986%0.86479%0.792SS**  trans-51.7138.9-173.4-65.6-166.6112.700111.7G969E967-G969 PolarHBondContact O-N 3.13Å
968P46.9Very low40.7Very low110 Ų110136.5 Ų136.571%0.71479%0.789SS**  trans-57.5102.1175.1-24.634.7000110.9L970P968-L970 PolarHBondContact O-N 3.33Å
969G42.4Very low40Very low71 Ų71134.1 Ų134.173%0.73277%0.773SS**  trans-50.1133-175.400000111.9E967 R971E967-G969 PolarHBondContact O-N 3.13Å; G969-R971 PolarHBondContact O-N 2.04Å; G969-R971 VanDerWaalsContact O-N 3.13Å
970L37.7Very low39.9Very low177 Ų177127.7 Ų127.793%0.92775%0.749SS**  trans-54.2121.4-168.7-81.7171.5000111.8P968 G972P968-L970 PolarHBondContact O-N 3.33Å; L970-G972 PolarHBondContact O-N 2.97Å
971R36.7Very low39.8Very low251 Ų251127.9 Ų127.995%0.94775%0.752SS**  trans-53.5101.6-176.7-176.6179.8-177.5173.70.9110.9G969G969-R971 PolarHBondContact O-N 2.04Å; G969-R971 VanDerWaalsContact O-N 3.13Å
972G37.4Very low39.3Very low69 Ų69128.1 Ų128.171%0.71175%0.753SS**  trans-68.6161.2-162.900000116.8L970 K974L970-G972 PolarHBondContact O-N 2.97Å; G972-K974 PolarHBondContact O-N 3.03Å
973A33.4Very low39.1Very low109 Ų109128 Ų12890%0.90176%0.757SS**  trans-74.8106.8170.900000110.9G975A973-G975 PolarHBondContact O-N 2.76Å
974K32.7Very low38.9Very low209 Ų209128 Ų12891%0.90976%0.756SS**  trans-33.1112.7163.9176.9-171.7176.8-169.90112.9G972G972-K974 PolarHBondContact O-N 3.03Å
975G38.1Very low38.8Very low65 Ų65130.9 Ų130.967%0.6776%0.759SS**  trans-91.7-168.2178.600000114.9A973A973-G975 PolarHBondContact O-N 2.76Å
976E31.6Very low39Very low208 Ų208129.1 Ų129.197%0.97277%0.765SS**  trans-117.9179.4177.5-67.2-136.4119.600113.4
977R36.4Very low38.7Very low182 Ų182129.5 Ų129.569%0.68777%0.769SS**PPolyproline II helixtrans-98.5116.9-148.7-177.9178.9-64.71572.4114
978G38.1Very low38.6Very low59 Ų59129.4 Ų129.461%0.60877%0.769SS**PPolyproline II helixtrans-57.9130.9166.200000112.8
979P36.3Very low38.1Very low78 Ų78134 Ų13451%0.50678%0.778SS.*PPolyproline II helixtrans-100.2173.5-174.6-6.929.2000115.6D1273 P1274P979-D1273 HydrophobicContact CB-CB 4.1Å; P979-D1273 WeakPolarHBondContact CB-OD1 3.38Å; P979-D1273 VanDerWaalsContact CG-OD1 3.27Å; P979-D1273 WeakPolarHBondContact CG-OD1 3.4Å; P979-P1274 HydrophobicContact CB-CB 3.83Å
980S42Very low37.7Very low57 Ų57133.9 Ų133.940%0.39978%0.777SS.*  trans-130.7141.4-166.3-48.30000112.8D1273 G1275S980-D1273 CarbonylContact O-C 3.29Å; S980-D1273 PolarHBondContact O-N 3.4Å; S980-G1275 PolarHBondContact OG-N 3.26Å; S980-G1275 PolarHBondContact OG-O 3.41Å
981G50.1Low37.6Very low61 Ų61133 Ų13363%0.62977%0.772SS**  trans-103.1-176.7-173.400000116.4
982P38Very low37.6Very low133 Ų133127.6 Ų127.686%0.86477%0.767SS**  trans-82.2153.3-17332.5-35.7000114.8
983I40.7Very low37.8Very low172 Ų172127.9 Ų127.988%0.88277%0.77SS**  trans-89.6143.1-176.7-68.2168000111.3
984G39.9Very low37.8Very low66 Ų66131.8 Ų131.868%0.6877%0.77SS**  trans-87.9-154-179.300000115.5
985R34.2Very low38.2Very low252 Ų252127.5 Ų127.595%0.95176%0.763SS**  trans-119.1125171.8-78.8-167.8170.7-158.3-2.7111.5
986P45.5Very low38.7Very low136 Ų136128.2 Ų128.288%0.88377%0.771SS**  trans-94.1171.2178.4-2.522.7000114.5
987G36.2Very low38.6Very low70 Ų70126.1 Ų126.172%0.72277%0.765SS**  trans114.9133.2167.600000112.9
988E36.6Very low38.8Very low182 Ų182123.1 Ų123.185%0.8577%0.769SS**  cis-142.5146-0.5-65.6-166.6106.400107.8
989K36.1Very low38.8Very low207 Ų207123.6 Ų123.690%0.977%0.774SS**  57.4123.467.6-143.7-172.6-174-173.60111.8
990G33.2Very low39Very low69 Ų69125.9 Ų125.971%0.71179%0.789SS**  cis-141.7-165.5-9.100000108.8
991L36.9Very low39.1Very low159 Ų159127.4 Ų127.483%0.83279%0.792SS**  cis-149.9144.230.9-77156.1000109.1
992T36.2Very low38.5Very low136 Ų136127.5 Ų127.583%0.83479%0.793SS**  46.3107107.9-40.60000113.9
993G42.2Very low38.8Very low76 Ų76127.2 Ų127.278%0.78479%0.792SS**  trans-103-172.5-169.900000116
994E33.4Very low38.7Very low191 Ų191121.9 Ų121.989%0.89377%0.769SS**  trans-124.5166.4173-79.9-147.6116.100111.6
995P40.2Very low38.8Very low119 Ų119121.6 Ų121.677%0.77377%0.767SS**  trans-74.1171.3-159.3-21.235.6000116.8
996G48Very low38.7Very low80 Ų80113.2 Ų113.283%0.82574%0.741SS**  trans-63.7136.1-174.400000114.6
997L30Very low38.5Very low164 Ų164111.4 Ų111.486%0.85973%0.727SS**  trans-115.2162.4165.3-76172.5000109.7
998P41.4Very low38.6Very low119 Ų119110.8 Ų110.877%0.77372%0.721SS**PPolyproline II helixtrans-67.9165.3-153.9-24.836.3000115.9
999G37.3Very low38.7Very low68 Ų68108 Ų10870%0.70172%0.719SS**PPolyproline II helixtrans-56.2139.2176.600000111.9
1000P41.9Very low39Very low127 Ų127104.1 Ų104.183%0.82572%0.715SS**PPolyproline II helixtrans-63.3145.2178.327.6-34.5000110.7
1001D42.2Very low39.1Very low88 Ų88104.2 Ų104.247%0.47172%0.715SS.*PPolyproline II helixtrans-57.8152.1167.3-69.8-64.2000110.5K1326D1001-K1326 WeakPolarHBondContact OD1-CD 3.41Å; D1001-K1326 IonicContact OD1-NZ 2.65Å; D1001-K1326 PolarHBondContact OD1-NZ 2.79Å; D1001-K1326 IonicContact OD2-NZ 2.91Å; D1001-K1326 PolarHBondContact OD2-NZ 3.21Å
1002G38.5Very low39.1Very low63 Ų63108.4 Ų108.465%0.64972%0.72SS**PPolyproline II helixtrans-71.7130.5178.700000110.6S1004G1002-S1004 PolarHBondContact O-N 2.8Å
1003P43.6Very low39.4Very low128 Ų128108 Ų10883%0.83172%0.72SS**PPolyproline II helixtrans-61120.9-161.823.7-35.3000112.9D1329P1003-D1329 WeakPolarHBondContact CA-OD2 3.3Å
1004S38.9Very low38.9Very low59 Ų59107.7 Ų107.741%0.41372%0.717SS.*  trans-100.8-164.8165.7-149.90000112G1002 D1006 D1329G1002-S1004 PolarHBondContact O-N 2.8Å; S1004-D1006 VanDerWaalsContact C-N 3.29Å; S1004-D1006 PolarHBondContact O-N 3.26Å; S1004-D1329 PolarHBondContact N-OD2 3.36Å
1005G42.3Very low39Very low60 Ų60105.6 Ų105.662%0.61972%0.717SS**  trans-75.860.3-162.100000116T1007G1005-T1007 VanDerWaalsContact C-N 3.26Å; G1005-T1007 PolarHBondContact O-N 2.98Å
1006D32.9Very low39Very low76 Ų76107 Ų10741%0.40672%0.724SS.*  trans-73.776179.5-101.644.6000113.1S1004 G1331 P1332S1004-D1006 VanDerWaalsContact C-N 3.29Å; S1004-D1006 PolarHBondContact O-N 3.26Å; D1006-G1331 VanDerWaalsContact OD1-CA 3.29Å; D1006-G1331 WeakPolarHBondContact OD1-CA 3.15Å; D1006-G1331 PolarHBondContact OD1-N 3.23Å; D1006-P1332 WeakPolarHBondContact OD2-CB 3.48Å; D1006-P1332 WeakPolarHBondContact OD2-CD 3.2Å
1007T40Very low38.5Very low98 Ų98106.2 Ų106.260%0.60172%0.716SS**  trans26.2114.2156.7-480000117G1005G1005-T1007 VanDerWaalsContact C-N 3.26Å; G1005-T1007 PolarHBondContact O-N 2.98Å
1008G39.7Very low38.8Very low57 Ų57105 Ų10559%0.58872%0.717SS**PPolyproline II helixtrans-52.9156.2-178.500000115.8
1009P38.7Very low38.6Very low125 Ų125108.5 Ų108.581%0.81272%0.72SS**PPolyproline II helixtrans-55.8130.1-170.422.2-34.3000112G1011P1009-G1011 PolarHBondContact O-N 2.53Å
1010P42.2Very low38.6Very low125 Ų125108.1 Ų108.181%0.81272%0.716SS**PPolyproline II helixtrans-52.4128.2175.6-28.935.6000111.7R1012P1010-R1012 PolarHBondContact O-N 3.46Å
1011G34.7Very low38.2Very low70 Ų70110.7 Ų110.772%0.72272%0.715SS**PPolyproline II helixtrans-57132.7-177.600000111.6P1009P1009-G1011 PolarHBondContact O-N 2.53Å
1012R36.8Very low38.1Very low247 Ų247115.1 Ų115.193%0.93273%0.733SS**PPolyproline II helixtrans-62.7129.4174.4-86.7-169.3169.7-160.9-2.6109.6P1010P1010-R1012 PolarHBondContact O-N 3.46Å
1013P42.9Very low38.2Very low129 Ų129115.7 Ų115.784%0.83874%0.739SS**PPolyproline II helixtrans-55.9140.3180-27.935.8000112.9
1014G31.3Very low38Very low69 Ų69115.6 Ų115.671%0.71174%0.736SS**PPolyproline II helixtrans-83.9162.8-173.300000114.8
1015T36.6Very low38.1Very low147 Ų147119.4 Ų119.490%0.90276%0.757SS**PPolyproline II helixtrans-85.2130.4159.648.90000109.6
1016T38.9Very low37.8Very low148 Ų148120 Ų12091%0.90876%0.763SS**PPolyproline II helixtrans-86.8130.5-163.4-61.70000114.4
1017G38Very low38.3Very low64 Ų64122.4 Ų122.466%0.6678%0.783SS**  trans90.4165.3151.800000117.5
1018P36.6Very low38Very low137 Ų137128.1 Ų128.189%0.8980%0.8SS**  cis-104.2159.410.937.8-33000117.1
1019K36.9Very low37.7Very low193 Ų193128.2 Ų128.284%0.83980%0.8SS**  trans-61.7156.5170.2177.8-177-177.7-1790112.6
1020G36.1Very low37.4Very low60 Ų60131.6 Ų131.662%0.61980%0.803SS**  cis-157.6-162.82.200000109.5
1021F35.1Very low37.2Very low181 Ų181134.5 Ų134.579%0.79481%0.805SS**  cis-147.6152.117.9-87.4-104.5000112.5
1022E40.3Very low37.4Very low181 Ų181134.3 Ų134.385%0.84680%0.804SS**  trans42.4122.8139.9-156.8151.5-138.700123.1
1023G40.3Very low38Very low76 Ų76128.7 Ų128.778%0.78480%0.799SS**  trans-169.8139.7165.200000110.3
1024T39.2Very low38.1Very low126 Ų126128 Ų12877%0.77379%0.794SS**  trans-114.4135.7-155.3420000117.3
1025T39.8Very low38.2Very low138 Ų138127.7 Ų127.785%0.84779%0.792SS**  trans49.796.9139.7-44.90000121.4
1026G36.1Very low38.6Very low72 Ų72124 Ų12474%0.74278%0.783SS**  91.9113.7103.200000121.4
1027P43.5Very low38.6Very low128 Ų128123.8 Ų123.883%0.83178%0.784SS**  trans-121.6158.9167.139.7-29.3000115.1
1028K35Very low38.5Very low218 Ų218124 Ų12495%0.94879%0.786SS**  trans-167.4153.9152.7-114.3-171.1175.8-171.40111
1029G32.9Very low38.7Very low58 Ų58125.7 Ų125.760%0.59879%0.787SS**  cis-171.9-169.82.200000114.8
1030F31.3Very low38.7Very low196 Ų196126.2 Ų126.286%0.8679%0.793SS**  trans-138.9169-176.9-63.3-94.3000108
1031E38.1Very low38.8Very low187 Ų187126.5 Ų126.587%0.87480%0.796SS**  cis-158.1-174.26.9-136.8164.9145.100110.7
1032G40.4Very low38.7Very low66 Ų66127 Ų12768%0.6880%0.801SS**  trans-89.4-139.8177.900000114.8
1033P47.8Very low38.7Very low129 Ų129124.9 Ų124.984%0.83880%0.803SS**  cis-131.5-118.9-13.527.2-0.8000114.9
1034P46Very low39Very low113 Ų113124.6 Ų124.673%0.73480%0.8SS**  -127172.8-10039-22.4000118.6
1035G33.6Very low38.8Very low64 Ų64124.6 Ų124.666%0.6680%0.802SS**  trans134.4129143.900000119.5
1036G44.8Very low38.4Very low69 Ų69128 Ų12871%0.71181%0.805SS**  trans-96.4175.9176.500000116
1037P38.3Very low38.2Very low144 Ų144128 Ų12894%0.93581%0.805SS**  -139.1-166.89240.3-26.3000113.1
1038G36.7Very low38.2Very low69 Ų69130.9 Ų130.971%0.71181%0.807SS**  trans-148.6-169.8-17000000118.7
1039D41.3Very low38.4Very low171 Ų171126.3 Ų126.391%0.91480%0.8SS**  trans64.797.4163.9-56.1-12.2000121.2
1040E36.3Very low38.4Very low205 Ų205126.5 Ų126.596%0.95880%0.802SS**  trans-136.2145.4133.8-172.8169.9-139.900108.2
1041G38.3Very low38.8Very low66 Ų66125 Ų12568%0.6880%0.801SS**  trans-130.6145.5-168.800000114.7
1042Q32.5Very low38.8Very low191 Ų191121.3 Ų121.389%0.89379%0.793SS**  trans-123.6124.4164-69.6-165.3-3.600110.2G1044Q1042-G1044 PolarHBondContact O-N 2.83Å
1043P39.8Very low38.4Very low137 Ų137121.3 Ų121.389%0.8979%0.793SS**  trans-64130.5176-22.934.3000112.2
1044G48.2Very low37.7Very low70 Ų70118.2 Ų118.272%0.72278%0.779SS**  trans-90.5176.6-179.400000114.4Q1042Q1042-G1044 PolarHBondContact O-N 2.83Å
1045P33.3Very low37.3Very low126 Ų126120.1 Ų120.182%0.81878%0.782SS**  trans-117.9126.8166.335.5-23.5000113.9
1046K31.9Very low37.8Very low209 Ų209121.8 Ų121.891%0.90978%0.784SS**  50.8110.3128.6-170.4-174.2-180-176.50119.4
1047G32.1Very low37.3Very low71 Ų71125.9 Ų125.973%0.73278%0.783SS**  106.4117.4121.900000118.4
1048E43.9Very low37.3Very low189 Ų189122.2 Ų122.288%0.88377%0.771SS**  trans-57.6167.4145.6-65.9-175.7156.700111.5
1049P38Very low37.3Very low122 Ų122126.3 Ų126.379%0.79277%0.771SS**  cis-127.7160.511.126.6-4.8000117.7
1050G33.7Very low37.7Very low62 Ų62127.1 Ų127.164%0.63977%0.767SS**  trans-75.6-148177.800000116.2
1051I40.6Very low38.1Very low166 Ų166120.2 Ų120.285%0.85175%0.751SS**  trans69.3165-173.2-41.9157.1000109.7
1052P36.9Very low38.2Very low109 Ų109124.7 Ų124.771%0.70876%0.759SS**  cis-85165.4-26.1-2.725000112.5
1053G32.2Very low38.8Very low66 Ų66122.2 Ų122.268%0.6876%0.757SS**  cis85.4-173.21800000111.8
1054A34.2Very low38.8Very low64 Ų64119 Ų11953%0.52975%0.748SS.*  trans65.1143.3-155.800000111.6F1057A1054-F1057 HydrophobicContact CB-CD2 4.04Å; A1054-F1057 HydrophobicContact CB-CE2 4.02Å
1055D36.7Very low38Very low152 Ų152122.9 Ų122.981%0.81375%0.748SS**SBendcis-117.9153.98.8-81.9-58.2000112.6
1056S44.8Very low38.4Very low100 Ų100124.1 Ų124.170%0.69974%0.736SS**  cis-153.5132.7-6.643.10000107.9
1057F34.3Very low38.6Very low155 Ų155116 Ų11668%0.6871%0.712SS**  79.8140.963.8-94-81.9000115A1054A1054-F1057 HydrophobicContact CB-CD2 4.04Å; A1054-F1057 HydrophobicContact CB-CE2 4.02Å
1058G38.3Very low39.5Very low66 Ų66117.7 Ų117.768%0.6871%0.71SS**  trans100.5110.4-161.500000110.8
1059E36.1Very low39.9Very low155 Ų155115.2 Ų115.272%0.72471%0.71SS**  cis60.9133.517.9-64.2-151.510800115.1
1060K49.7Very low39.9Very low189 Ų189112.3 Ų112.382%0.82270%0.702SS**  cis-169.3141.7-9.2174.3175.7179.5175.20110.6
1061G45.1Very low40.2Very low60 Ų60114.9 Ų114.962%0.61970%0.701SS**  trans76.9163.3172.300000116.2
1062D39.1Very low40.1Very low159 Ų159113.5 Ų113.585%0.8570%0.7SS**  cis-157152.8-15.6-95.7-36.6000111.5
1063T46.4Very low40.1Very low140 Ų140111.6 Ų111.686%0.85970%0.7SS**  trans54.7114.3159.5-49.70000121.6
1064G38.3Very low40.6Very low68 Ų68117.1 Ų117.170%0.70171%0.708SS**SBendtrans88.7115.2141.100000119.7
1065E32.7Very low40.7Very low153 Ų153122.1 Ų122.172%0.71572%0.718SS**SBendtrans53.6-174.9164.4-79.8-96.789.100116.8R1084E1065-R1084 VanDerWaalsContact C-NH2 3.35Å; E1065-R1084 VanDerWaalsContact O-CZ 3.3Å; E1065-R1084 PolarHBondContact O-NH1 2.84Å; E1065-R1084 PolarHBondContact O-NH2 3.39Å
1066R40.6Very low40.8Very low152 Ų152117.8 Ų117.857%0.57471%0.709SS**SBendtrans-82.8125.5-170179.4-172.4-76.5146.6-4.3111.6R1084 G1085R1066-R1084 PolarHBondContact NH2-O 3.1Å; R1066-G1085 PolarHBondContact NH2-O 2.96Å
1067G36.5Very low40.6Very low39 Ų39118.5 Ų118.540%0.40271%0.714SS.*  trans93.7100.4161.900000114.8
1068P50.9Low41.2Very low105 Ų105118 Ų11868%0.68272%0.724SS**SBend-54.3143.9123.932.1-33.8000107.9G1070P1068-G1070 WeakPolarHBondContact O-CA 3.23Å; P1068-G1070 PolarHBondContact O-N 3.26Å
1069P53.1Low41.3Very low138 Ų138118.1 Ų118.190%0.89673%0.725SS**SBendtrans-48.3113.9-179.2-29.235.7000111.1
1070G37.9Very low41.6Very low60 Ų60120.1 Ų120.162%0.61973%0.731SS**  trans-112.1-125.1-154.300000113P1068P1068-G1070 WeakPolarHBondContact O-CA 3.23Å; P1068-G1070 PolarHBondContact O-N 3.26Å
1071D39.7Very low41Very low116 Ų116116.8 Ų116.862%0.6273%0.729SS**  cis-147.21656.2-87.4-75.7000110.5G1073D1071-G1073 PolarHBondContact O-N 2.94Å
1072V39.1Very low40.6Very low138 Ų138117.4 Ų117.484%0.83674%0.736SS**  trans12.483.7162.5-171.80000114.7
1073G36.3Very low40.9Very low68 Ų68118.4 Ų118.470%0.70174%0.74SS**  trans-71167-172.900000115.3D1071D1071-G1073 PolarHBondContact O-N 2.94Å
1074E42Very low40.7Very low182 Ų182119 Ų11985%0.8573%0.726SS**  trans-95139.9169.9-56.6-154.6102.900109.9
1075K37.5Very low40.5Very low169 Ų169118.5 Ų118.574%0.73572%0.722SS**  cis71.4132.634.9-163-172.3178.1-169.10111.1
1076G39.2Very low40.6Very low61 Ų61115.6 Ų115.663%0.62972%0.716SS**  cis-155.1171.2-10.100000109.4
1077S40.8Very low41.1Very low115 Ų115114.7 Ų114.780%0.80473%0.73SS**SBend-173.2143.888.230.90000110
1078T46.7Very low41.1Very low145 Ų145115.9 Ų115.989%0.8974%0.742SS**SBendcis-150.6128.4-13.4-72.50000107.6
1079G40.1Very low40.2Very low68 Ų68119.2 Ų119.270%0.70175%0.754SS**  cis-168.9133.2-7.700000113.6
1080K43Very low39.5Very low197 Ų197117.7 Ų117.786%0.85775%0.753SS**  trans-80.4141.6155.3-57.2173.3-177.2175.70107.5
1081P37.1Very low39.3Very low119 Ų119118 Ų11877%0.77376%0.757SS**  -148.9173.4101.537.2-19.9000113.2
1082G35.7Very low38.9Very low73 Ų73118.8 Ų118.875%0.75377%0.766SS**  cis-170.6173.8-0.300000110.5
1083L45.1Very low38.6Very low180 Ų180120.1 Ų120.194%0.94277%0.769SS**  trans-123.6152.2-166.1-84.1167.5000115.5
1084R41.6Very low38.8Very low152 Ų152120.9 Ų120.957%0.57478%0.776SS**  trans79.693.1155.9-162.5178.9-173.5-158.6-4.4120.8E1065 R1066E1065-R1084 VanDerWaalsContact C-NH2 3.35Å; E1065-R1084 VanDerWaalsContact O-CZ 3.3Å; E1065-R1084 PolarHBondContact O-NH1 2.84Å; E1065-R1084 PolarHBondContact O-NH2 3.39Å; R1066-R1084 PolarHBondContact NH2-O 3.1Å
1085G34.3Very low38.6Very low59 Ų59121.2 Ų121.261%0.60878%0.778SS**  trans67.2178.9134.300000120.9R1066R1066-G1085 PolarHBondContact NH2-O 2.96Å
1086P36Very low38.5Very low92 Ų92117.2 Ų117.260%0.59778%0.776SS**  cis-96-175.2-20.639.3-30.5000111.7
1087P51.1Low38.4Very low133 Ų133120.7 Ų120.786%0.86479%0.785SS**  trans-75.1148.9-174.3-19.233.8000116.7
1088G37Very low38.1Very low64 Ų64121.5 Ų121.566%0.6678%0.784SS**  trans95.2131.1174.200000113.7
1089D31Very low37.8Very low174 Ų174117.9 Ų117.993%0.9378%0.776SS**  cis-147.2178.1-1.5-104.1-40.2000111.9
1090A39.1Very low37.8Very low106 Ų106122 Ų12288%0.87678%0.782SS**  trans-84.1154.7-158.600000118.2
1091G32.3Very low37.4Very low68 Ų68119.5 Ų119.570%0.70178%0.783SS**  trans-179.9117.8165.900000118.5
1092T32.9Very low37.5Very low132 Ų132117 Ų11781%0.8178%0.779SS**  trans67.2108.6150.960.90000123.7
1093N32.5Very low37.5Very low166 Ų166121.6 Ų121.689%0.88879%0.786SS**  40132.1127-55.2-8.8000123.4
1094G40.4Very low37.2Very low83 Ų83120.3 Ų120.386%0.85679%0.786SS**  trans-177.995.4163.100000115.4
1095Q36.6Very low37.1Very low190 Ų190115.9 Ų115.989%0.88879%0.788SS**  trans-86.2156.8-163.7-63.2158.3-6400118
1096A36Very low37.1Very low84 Ų84121 Ų12169%0.69480%0.802SS**  trans63.7151.5140.700000119.7V1098A1096-V1098 HydrophobicContact CB-CG2 4.48Å
1097V37.9Very low37.4Very low134 Ų134124.1 Ų124.181%0.81282%0.818SS**  cis-133.5123.725.2178.60000108.1
1098V33.6Very low37.2Very low132 Ų132121.2 Ų121.280%0.881%0.812SS**  81.1117.959.5175.40000114.3A1096A1096-V1098 HydrophobicContact CB-CG2 4.48Å
1099G40.5Very low37.3Very low69 Ų69127.5 Ų127.571%0.71183%0.825SS**  trans154.4118.2177.500000111
1100D40Very low37.8Very low155 Ų155127.2 Ų127.283%0.82982%0.815SS**  trans-94.9142.2-157-63.5-71.1000117.1
1101V35Very low38Very low144 Ų144125.5 Ų125.587%0.87381%0.808SS**  trans19.1117.6152.3-171.50000118.8
1102G39.6Very low38.2Very low68 Ų68129.9 Ų129.970%0.70182%0.815SS**  trans-147.1119.1159.100000111.8
1103D35.6Very low38.5Very low168 Ų168129 Ų12990%0.89881%0.811SS**  trans35.1140.9161.6-55.4-24.2000122.3
1104T39.1Very low38.9Very low153 Ų153124.4 Ų124.494%0.93980%0.803SS**  trans-119.8131.5-177.5-61.80000111.9
1105G38.9Very low38.5Very low59 Ų59129.1 Ų129.161%0.60880%0.804SS**  trans173.2149.616900000109.6
1106D34Very low38.9Very low168 Ų168126.1 Ų126.190%0.89880%0.801SS**  cis-145.3159.7-9.5-81.9-51.1000108.7
1107V42.9Very low39.2Very low156 Ų156124.9 Ų124.995%0.94580%0.797SS**  trans-126129-175.31760000111.7
1108G46.9Very low39Very low72 Ų72124.2 Ų124.274%0.74279%0.789SS**  trans126.679.6158.400000116.3K1110G1108-K1110 PolarHBondContact O-N 3.17Å
1109E39.5Very low39.5Very low196 Ų196123.7 Ų123.792%0.91679%0.788SS**  trans-78103.7168.4-75.3-157.9109.400112.7
1110K41.5Very low39.4Very low168 Ų168123.7 Ų123.773%0.7379%0.788SS**  57.5101.6124.9-165.2173.3-1711700119.6G1108G1108-K1110 PolarHBondContact O-N 3.17Å
1111G42.1Very low39Very low71 Ų71124.4 Ų124.473%0.73279%0.791SS**PPolyproline II helixtrans-73.3161.6144.900000112.4
1112L37.6Very low39.5Very low160 Ų160123.3 Ų123.384%0.83879%0.787SS**PPolyproline II helixtrans-82.3159.3178.1-77.3169.4000112.4
1113P39.7Very low39.5Very low114 Ų114122.9 Ų122.974%0.7478%0.783SS**PPolyproline II helixtrans-83.4135.1-147.8-13.730000115
1114G40Very low39.7Very low68 Ų68121.5 Ų121.570%0.70178%0.783SS**PPolyproline II helixtrans-69.3154.9147.300000110.5
1115M32.4Very low39.5Very low182 Ų182124 Ų12490%0.89778%0.781SS**PPolyproline II helixtrans-60.3140169.9-69.6166.160.300109.5G1117M1115-G1117 PolarHBondContact O-N 3.44Å
1116P44Very low39.6Very low127 Ų127124.3 Ų124.383%0.82578%0.783SS**PPolyproline II helixtrans-58.4128.9171.2-20.932.5000109.8
1117G41.9Very low39.5Very low58 Ų58122 Ų12260%0.59878%0.78SS**PPolyproline II helixtrans-69162150.500000109.2M1115 P1119M1115-G1117 PolarHBondContact O-N 3.44Å; G1117-P1119 WeakPolarHBondContact O-CD 3.08Å
1118D33.4Very low39.3Very low121 Ų121120.5 Ų120.565%0.64777%0.774SS**  trans-93.699.8161.7-88-26.6000108.2G1120D1118-G1120 PolarHBondContact O-N 3Å
1119P44.3Very low38.8Very low121 Ų121120.7 Ų120.779%0.78678%0.776SS**  trans-56124.3163.1-23.733000109.8G1117 L1121G1117-P1119 WeakPolarHBondContact O-CD 3.08Å; P1119-L1121 PolarHBondContact O-N 3.13Å
1120G39.2Very low38.4Very low68 Ų68117.5 Ų117.570%0.70177%0.77SS**  trans-55.8134.5-179.300000112D1118 P1122D1118-G1120 PolarHBondContact O-N 3Å; G1120-P1122 WeakPolarHBondContact O-CD 3.34Å; G1120-P1122 VanDerWaalsContact O-N 3.14Å
1121L32.5Very low38Very low171 Ų171115.8 Ų115.890%0.89577%0.773SS**  trans-54115.2-177.1-74.9170.3000111.7P1119P1119-L1121 PolarHBondContact O-N 3.13Å
1122P45.1Very low37.8Very low120 Ų120115 Ų11578%0.77977%0.766SS**  trans-63.9138.8166.5-17.432.6000109G1120G1120-P1122 WeakPolarHBondContact O-CD 3.34Å; G1120-P1122 VanDerWaalsContact O-N 3.14Å
1123G39.5Very low37.6Very low60 Ų60114.9 Ų114.962%0.61977%0.765SS**  trans-57.9153.2-175.200000113.5K1125G1123-K1125 PolarHBondContact O-N 2.83Å
1124P38.8Very low37.5Very low139 Ų139116.6 Ų116.690%0.90377%0.766SS**  trans-66.189.5-17427.3-35.7000112.1G1126P1124-G1126 PolarHBondContact O-N 3.49Å
1125K36.1Very low37.7Very low206 Ų206116.5 Ų116.590%0.89677%0.766SS**  trans-75.9115.7170.1-165.6172.3-176.6177.80108.2G1123G1123-K1125 PolarHBondContact O-N 2.83Å
1126G39.5Very low37.9Very low64 Ų64113.5 Ų113.566%0.6676%0.76SS**PPolyproline II helixtrans-61.4151.2-160.400000116.2P1124 P1128P1124-G1126 PolarHBondContact O-N 3.49Å; G1126-P1128 WeakPolarHBondContact O-CD 3.38Å
1127S31.9Very low37.5Very low119 Ų119117.1 Ų117.183%0.83276%0.762SS**PPolyproline II helixtrans-63.5123.9170.337.30000111.4
1128P40.2Very low37.1Very low125 Ų125117.9 Ų117.981%0.81277%0.77SS**PPolyproline II helixtrans-68149.5171.3-19.433.3000111.9G1126G1126-P1128 WeakPolarHBondContact O-CD 3.38Å
1129G35.1Very low37.2Very low76 Ų76120.2 Ų120.278%0.78478%0.781SS**PPolyproline II helixtrans-99.1133.8177.400000113.8
1130V31.5Very low36.8Very low130 Ų130121 Ų12179%0.78878%0.783SS**  trans-144.9110.1162.9-152.60000104.2
1131T34Very low36.8Very low131 Ų131120.9 Ų120.980%0.80478%0.781SS**  49.8119.283.7-47.40000112.6
1132G36.8Very low36.6Very low56 Ų56120.5 Ų120.558%0.57778%0.781SS**  cis150.1146.9-6.900000112.7
1133L32.9Very low36.6Very low156 Ų156120.7 Ų120.782%0.81778%0.782SS**  trans-140.5114.5163.9-68176.1000104.7
1134I39Very low36.5Very low150 Ų150120.8 Ų120.877%0.76978%0.782SS**  50.590.550.7-45.5179.3000107.9
1135G43.6Very low36.1Very low67 Ų67121.3 Ų121.369%0.69178%0.783SS**  98.7148.757.400000108.4
1136P36.2Very low36.1Very low119 Ų119116.5 Ų116.577%0.77377%0.773SS**  -153.5-17862.541.6-21.5000117
1137K36.3Very low35.7Very low203 Ų203116.6 Ų116.688%0.88377%0.773SS**  trans23117.1147.9-64.5175.9177.5179.70118.2
1138G33.4Very low35.5Very low73 Ų73119.2 Ų119.275%0.75378%0.777SS**  cis103125.61.500000114.5
1139I36.2Very low35.3Very low170 Ų170122 Ų12287%0.87278%0.779SS**  trans-159.2146.1169.237.5169.3000109
1140V34.7Very low35.8Very low138 Ų138121.8 Ų121.884%0.83678%0.777SS**  cis-152.3117.4-35100.60000108.1
1141G39.8Very low35.8Very low65 Ų65126.7 Ų126.767%0.6778%0.781SS**  trans70.7129.5176.300000116.8P1143G1141-P1143 WeakPolarHBondContact O-CD 3.48Å
1142D28.7Very low35.9Very low164 Ų164126.2 Ų126.288%0.87778%0.78SS**  trans-95.5107.2143.3-80.5-52.5000106.6G1144D1142-G1144 PolarHBondContact O-N 2.79Å
1143P44Very low36.1Very low124 Ų124126.8 Ų126.881%0.80579%0.786SS**  trans-73.855.8-175-21.736.9000115G1141G1141-P1143 WeakPolarHBondContact O-CD 3.48Å
1144G38Very low35.8Very low61 Ų61129.3 Ų129.363%0.62979%0.791SS**  trans73.6-175.4173.500000115.2D1142 P1146D1142-G1144 PolarHBondContact O-N 2.79Å; G1144-P1146 WeakPolarHBondContact O-CD 3.27Å
1145V29.6Very low35.7Very low150 Ų150127.8 Ų127.891%0.90979%0.79SS**  trans-113.174170-80.20000112.3
1146P35.8Very low35.3Very low106 Ų106126.6 Ų126.669%0.68878%0.779SS**  trans-63.9158.4145-12.528.8000110.7G1144G1144-P1146 WeakPolarHBondContact O-CD 3.27Å
1147G31.8Very low35Very low65 Ų65126.2 Ų126.267%0.6777%0.766SS**  trans-62.9164.516000000111.3
1148L28.6Very low35.2Very low174 Ų174122.4 Ų122.491%0.91175%0.752SS**  cis-154.6160.136.6-77.5159.4000113.4
1149Q34.6Very low35.6Very low185 Ų185120.4 Ų120.486%0.86473%0.731SS**  trans10.8111150.5-167.7178.769.300118.8
1150G45.4Very low35.8Very low70 Ų70118.4 Ų118.472%0.72273%0.729SS**  trans-92-179.8176.300000116.4
1151R31.7Very low36.4Very low233 Ų233115.2 Ų115.288%0.87971%0.712SS**  trans-166.9170.4175.9-95.6177.7-172.3178.45.4109.2
1152P36.6Very low36.2Very low121 Ų121114 Ų11479%0.78670%0.699SS**  cis-127.3161.1-36.737.2-22.6000112.4
1153G40.6Very low36.5Very low69 Ų69114.8 Ų114.871%0.71170%0.702SS**  trans-105.9174175.600000114.9
1154K28.2Very low36.3Very low208 Ų208115.8 Ų115.890%0.90470%0.7SS**  trans169.5164.9162-99.5157-173.8-176.20110.9
1155P36.5Very low36.8Very low118 Ų118115.5 Ų115.577%0.76670%0.697SS**  cis-114.1-168.9-18.235.6-18.8000111.2
1156G34Very low37.3Very low43 Ų43114.4 Ų114.444%0.44369%0.693SS.*  trans-85.1-136.3169.800000112.3
1157Q30.7Very low37.4Very low110 Ų110117.8 Ų117.851%0.51470%0.697SS.*  cis-167.2107.814.5-134.6-174.4-28.700108.4G1263 E1264Q1157-G1263 VanDerWaalsContact CG-C 3.41Å; Q1157-G1263 WeakPolarHBondContact CG-O 3.12Å; Q1157-E1264 VanDerWaalsContact C-C 3.5Å; Q1157-E1264 CarbonylContact C-O 3.53Å; Q1157-E1264 WeakPolarHBondContact CB-O 3.28Å; Q1157-E1264 HydrophobicContact CG-CB 4.01Å; Q1157-E1264 WeakPolarHBondContact CG-O 3.35Å; Q1157-E1264 PolarHBondContact NE2-OE2 2.81Å; Q1157-E1264 CarbonylContact O-C 3.04Å
1158E40.2Very low37.6Very low123 Ų123117.5 Ų117.558%0.57569%0.694SS**  trans-149.8153.5154.8-123.9-170.1176.200116.9E1264E1158-E1264 VanDerWaalsContact CA-C 3.46Å; E1158-E1264 VanDerWaalsContact N-N 3.12Å; E1158-E1264 PolarHBondContact O-N 3.14Å
1159G41.4Very low37.8Very low31 Ų31117.3 Ų117.332%0.3269%0.686SS.*SBendtrans-172.4150.6179.900000105
1160P40.3Very low38.3Very low128 Ų128114.2 Ų114.283%0.83168%0.682SS**PPolyproline II helixtrans-52.3130.2-153.814.3-29.4000115
1161P47.7Very low37.9Very low72 Ų72115 Ų11547%0.46869%0.689SS.*PPolyproline II helixtrans-49.9149-179.6-35.939.1000116.6D1267P1161-D1267 WeakPolarHBondContact CA-OD1 3.31Å; P1161-D1267 HydrophobicContact CB-CB 4Å
1162G35.5Very low38.2Very low40 Ų40107.6 Ų107.641%0.41269%0.686SS.*PPolyproline II helixtrans-81.5142.5173.200000112.8L1164 D1267G1162-L1164 PolarHBondContact O-N 3.49Å; G1162-D1267 PolarHBondContact N-OD1 2.73Å
1163L34.5Very low38.4Very low180 Ų180110.7 Ų110.794%0.94269%0.687SS**  trans-83.491.2163.4-82.6172.8000110
1164L40.6Very low38.3Very low145 Ų145111.3 Ų111.376%0.75969%0.694SS**  trans-60.5134.7176.9-15679.1000112G1162G1162-L1164 PolarHBondContact O-N 3.49Å
1165G48.9Very low38.7Very low54 Ų54109.7 Ų109.756%0.55769%0.69SS**  trans-110.2178.8178.200000115.1
1166P40.3Very low38.9Very low128 Ų128111.1 Ų111.183%0.83168%0.684SS**  trans-88133.416733.9-29.5000110.5
1167K38.3Very low39.1Very low177 Ų177113.5 Ų113.577%0.7771%0.708SS**  cis68.112428.1-160.5-177.1-178.4178.30112.8F1169K1167-F1169 HydrophobicContact CD-CE1 4.45Å; K1167-F1169 HydrophobicContact CD-CZ 4.37Å; K1167-F1169 HydrophobicContact CG-CE1 4.11Å; K1167-F1169 HydrophobicContact CG-CZ 3.97Å
1168G35.4Very low39.3Very low58 Ų58113.5 Ų113.560%0.59871%0.71SS**  cis-151.4-145.3-1.500000109
1169F31.7Very low39.3Very low170 Ų170114 Ų11475%0.74671%0.711SS**SBendcis-163.1175.99.9-68.9-93.4000107.7K1167K1167-F1169 HydrophobicContact CD-CE1 4.45Å; K1167-F1169 HydrophobicContact CD-CZ 4.37Å; K1167-F1169 HydrophobicContact CG-CE1 4.11Å; K1167-F1169 HydrophobicContact CG-CZ 3.97Å
1170P46.7Very low39Very low120 Ų120116.2 Ų116.278%0.77973%0.734SS**  cis-117.1141.4-11.826.2-6.9000113.3G1172P1170-G1172 PolarHBondContact O-N 3.25Å
1171G35.5Very low38.6Very low86 Ų86115.7 Ų115.789%0.88772%0.721SS**  trans-81.2116.7-179.100000114.1K1173G1171-K1173 PolarHBondContact O-N 2.91Å
1172G38.6Very low38.1Very low79 Ų79120.7 Ų120.781%0.81473%0.73SS**  trans-79.896.9176.900000113.7P1170 G1174P1170-G1172 PolarHBondContact O-N 3.25Å; G1172-G1174 PolarHBondContact O-N 2.8Å
1173K40.3Very low37.8Very low185 Ų185122 Ų12280%0.80474%0.744SS**  trans31.570.8162.2-67.3-179.6-179.7171.70116.2G1171 Q1175G1171-K1173 PolarHBondContact O-N 2.91Å; K1173-Q1175 PolarHBondContact O-N 3.14Å
1174G40Very low37.6Very low83 Ų83122.7 Ų122.786%0.85674%0.742SS**  trans-63.784.1155.700000109.8G1172 K1176G1172-G1174 PolarHBondContact O-N 2.8Å; G1174-K1176 PolarHBondContact O-N 3.3Å
1175Q35.9Very low37.4Very low173 Ų173120.1 Ų120.181%0.80873%0.734SS**  trans-69.599.5178.9-89.4-160.9-6.700109.8K1173K1173-Q1175 PolarHBondContact O-N 3.14Å
1176K41.1Very low36.6Very low149 Ų149120.8 Ų120.865%0.64874%0.741SS**  trans62.786.8148.6-146.1-173.8-168.6-171.30112.4G1174 I1178G1174-K1176 PolarHBondContact O-N 3.3Å; K1176-I1178 HydrophobicContact CB-CG1 4.1Å; K1176-I1178 HydrophobicContact CD-CB 4.36Å; K1176-I1178 HydrophobicContact CD-CD1 4.12Å; K1176-I1178 HydrophobicContact CD-CG1 3.89Å; K1176-I1178 HydrophobicContact CD-CG2 3.78Å; K1176-I1178 HydrophobicContact CG-CB 4.21Å; K1176-I1178 HydrophobicContact CG-CG1 3.86Å; K1176-I1178 HydrophobicContact CG-CG2 3.92Å; K1176-I1178 WeakPolarHBondContact O-CG1 3.35Å; K1176-I1178 PolarHBondContact O-N 3.16Å
1177G37.6Very low36.2Very low92 Ų92123.6 Ų123.695%0.94874%0.743SS**  trans-61.175.7148.700000109.1K1179G1177-K1179 PolarHBondContact O-N 2.72Å
1178I35.3Very low36.1Very low110 Ų110119.9 Ų119.956%0.56474%0.735SS**  trans-74.9124.7-179.6-1.9173.5000107.7K1176K1176-I1178 HydrophobicContact CB-CG1 4.1Å; K1176-I1178 HydrophobicContact CD-CB 4.36Å; K1176-I1178 HydrophobicContact CD-CD1 4.12Å; K1176-I1178 HydrophobicContact CD-CG1 3.89Å; K1176-I1178 HydrophobicContact CD-CG2 3.78Å; K1176-I1178 HydrophobicContact CG-CB 4.21Å; K1176-I1178 HydrophobicContact CG-CG1 3.86Å; K1176-I1178 HydrophobicContact CG-CG2 3.92Å; K1176-I1178 WeakPolarHBondContact O-CG1 3.35Å; K1176-I1178 PolarHBondContact O-N 3.16Å
1179K39.1Very low36.2Very low133 Ų133124.3 Ų124.358%0.57874%0.744SS**  trans69.2132.9143.1-172.2-179.6166.6-149.10114.6G1177 E1181G1177-K1179 PolarHBondContact O-N 2.72Å; K1179-E1181 WeakPolarHBondContact CD-OE1 3.45Å; K1179-E1181 WeakPolarHBondContact CE-OE1 3.27Å; K1179-E1181 IonicContact NZ-OE1 2.66Å; K1179-E1181 PolarHBondContact NZ-OE1 3.29Å; K1179-E1181 PolarHBondContact O-N 3.36Å
1180G36.4Very low36.5Very low79 Ų79122.7 Ų122.781%0.81475%0.747SS**  trans-63.290.9151.700000107.5R1182G1180-R1182 PolarHBondContact O-N 3.04Å
1181E31.3Very low36.1Very low117 Ų117120.1 Ų120.155%0.54774%0.742SS.*  trans-61.6122.4170.8-66.4-102.48900106.7K1179K1179-E1181 WeakPolarHBondContact CD-OE1 3.45Å; K1179-E1181 WeakPolarHBondContact CE-OE1 3.27Å; K1179-E1181 IonicContact NZ-OE1 2.66Å; K1179-E1181 PolarHBondContact NZ-OE1 3.29Å; K1179-E1181 PolarHBondContact O-N 3.36Å
1182R36.2Very low36.2Very low177 Ų177126.5 Ų126.567%0.66874%0.74SS**  33.6100.6127.9-175.7-171-72.6139.8-13112.7G1180 P1185G1180-R1182 PolarHBondContact O-N 3.04Å; R1182-P1185 HydrophobicContact CG-CG 4.21Å
1183G30.8Very low36Very low68 Ų68128.8 Ų128.870%0.70173%0.733SS**  trans-70.1-137.3174.800000111.7P1185G1183-P1185 VanDerWaalsContact C-CD 3.47Å; G1183-P1185 WeakPolarHBondContact O-CD 3.5Å
1184E30.6Very low35.7Very low193 Ų193123.4 Ų123.490%0.90273%0.73SS**  trans-87.9101.1168.2-63.3170.4138.200110
1185P36.2Very low35.5Very low92 Ų92128.8 Ų128.860%0.59773%0.733SS**  -56.7136.1115.2-1.720000107.2R1182 G1183R1182-P1185 HydrophobicContact CG-CG 4.21Å; G1183-P1185 VanDerWaalsContact C-CD 3.47Å; G1183-P1185 WeakPolarHBondContact O-CD 3.5Å
1186G31.7Very low35.6Very low67 Ų67126.3 Ų126.369%0.69173%0.732SS**  trans-76.1-135.1177.700000111.8T1188G1186-T1188 PolarHBondContact O-N 3.15Å
1187E32.5Very low35.6Very low187 Ų187122.6 Ų122.687%0.87474%0.736SS**SBendtrans-39.1129.6160.7-65.4170.7138.800110.8
1188T35.2Very low35.8Very low99 Ų99124.5 Ų124.561%0.60772%0.724SS**  cis-158.1159.118.2-0.50000113.4G1186G1186-T1188 PolarHBondContact O-N 3.15Å
1189I37.6Very low35.8Very low152 Ų152127.5 Ų127.578%0.77974%0.738SS**  23.7136.2126.3-67.3172.8000117.1
1190V37.8Very low35.9Very low135 Ų135124.4 Ų124.482%0.81874%0.744SS**  cis-159.3174.7-2123.60000109
1191G38.5Very low35.9Very low66 Ų66130.4 Ų130.468%0.6875%0.751SS**  trans-96.5-164.7-178.900000117.7
1192R37.6Very low36.3Very low220 Ų220136.2 Ų136.283%0.8377%0.768SS**  trans-149.2152.8172.7-83.4-171.366.6160-1.4107.9
1193D34.1Very low36.8Very low128 Ų128131 Ų13168%0.68477%0.769SS**  cis-144.4163.86.6-99.5-26.6000110.9
1194G34.5Very low37.5Very low71 Ų71135.5 Ų135.573%0.73278%0.775SS**  trans176.457.7174.400000119.8
1195E35.6Very low38.1Very low196 Ų196132.2 Ų132.292%0.91677%0.77SS**  trans68.6157.4157.2-73.2-169.8158.800120
1196P37.9Very low38.3Very low122 Ų122130.7 Ų130.779%0.79277%0.771SS**  -122.2172.2-129.143.9-36.9000119
1197G41.2Very low39Very low70 Ų70135 Ų13572%0.72278%0.778SS**  trans-165.6155.5166.400000111.9
1198D41.3Very low39.6Very low133 Ų133130.3 Ų130.371%0.71176%0.764SS**  trans-143.7156.6-154-78.3-84.2000113
1199M36.6Very low39.8Very low173 Ų173127.1 Ų127.185%0.85275%0.75SS**  cis-167.9141.5-13.4175.9-167.4-55.700109.9
1200G40.7Very low40Very low68 Ų68125.2 Ų125.270%0.70175%0.748SS**  trans126.4147.616700000113.9
1201E36.6Very low40.3Very low205 Ų205127.4 Ų127.496%0.95875%0.746SS**SBendcis-87-163.510-64.3-162.1109.700115.8
1202R40.2Very low40.7Very low239 Ų239127.7 Ų127.790%0.90275%0.75SS**  trans-133.5143-162.4-175.6-167-52.8161.55.8107.8
1203G45.1Very low41Very low67 Ų67121 Ų12169%0.69173%0.73SS**  cis136.970.110.600000109.8
1204I45.2Very low41.6Very low162 Ų162125.3 Ų125.383%0.83174%0.737SS**  trans-144.3171.2-176.22.4179.5000109.6
1205P44.3Very low41.6Very low124 Ų124123.3 Ų123.381%0.80572%0.716SS**PPolyproline II helixtrans-71.9151.1-137.430.2-39.3000117.2
1206G39.9Very low41.5Very low60 Ų60122.3 Ų122.362%0.61971%0.709SS**PPolyproline II helixtrans-82.9139-177.100000115.4
1207L47.1Very low42.1Very low158 Ų158123 Ų12383%0.82771%0.713SS**PPolyproline II helixtrans-83.5159.8164.5-74160.1000110.6G1209L1207-G1209 PolarHBondContact O-N 2.93Å
1208P45.2Very low42Very low89 Ų89123.1 Ų123.158%0.57872%0.715SS**PPolyproline II helixtrans-67123.2159.630.3-31.9000108.8
1209G39.8Very low41.7Very low31 Ų31124.8 Ų124.832%0.3272%0.724SS.*  trans-69.2-164.5170.900000114L1207 K1211 D1213L1207-G1209 PolarHBondContact O-N 2.93Å; G1209-K1211 PolarHBondContact O-N 3.37Å; G1209-D1213 VanDerWaalsContact CA-CG 3.43Å; G1209-D1213 WeakPolarHBondContact CA-OD2 3.01Å; G1209-D1213 VanDerWaalsContact N-CB 3.28Å
1210P40.5Very low41.9Very low113 Ų113120.4 Ų120.473%0.73472%0.715SS**SBendtrans-71.886-176.230.6-36.6000113G1212 D1213P1210-G1212 WeakPolarHBondContact O-CA 3.46Å; P1210-G1212 PolarHBondContact O-N 3.07Å; P1210-D1213 VanDerWaalsContact CD-OD2 3.31Å; P1210-D1213 WeakPolarHBondContact CD-OD2 3.24Å
1211K43.6Very low41.6Very low180 Ų180120.5 Ų120.578%0.78372%0.716SS**SBendtrans-32.490.5178.5-164.6-172174.3-166.40117.2G1209 D1213G1209-K1211 PolarHBondContact O-N 3.37Å; K1211-D1213 VanDerWaalsContact CA-N 3.31Å; K1211-D1213 VanDerWaalsContact CA-O 3.22Å; K1211-D1213 WeakPolarHBondContact CA-O 3.36Å; K1211-D1213 VanDerWaalsContact CB-O 3.3Å; K1211-D1213 WeakPolarHBondContact CB-O 3.07Å; K1211-D1213 PolarHBondContact N-O 3.46Å
1212G48.8Very low41.5Very low73 Ų73115.5 Ų115.575%0.75370%0.702SS**SBendcis46.9-111.1-8.500000114.7P1210 R1214P1210-G1212 WeakPolarHBondContact O-CA 3.46Å; P1210-G1212 PolarHBondContact O-N 3.07Å; G1212-R1214 PolarHBondContact O-N 2.93Å
1213D42.7Very low41.3Very low78 Ų78113.5 Ų113.542%0.41770%0.699SS.*  trans-54105.7169.6-43.6-116.2000113G1209 P1210 K1211G1209-D1213 VanDerWaalsContact CA-CG 3.43Å; G1209-D1213 WeakPolarHBondContact CA-OD2 3.01Å; G1209-D1213 VanDerWaalsContact N-CB 3.28Å; P1210-D1213 VanDerWaalsContact CD-OD2 3.31Å; P1210-D1213 WeakPolarHBondContact CD-OD2 3.24Å; K1211-D1213 VanDerWaalsContact CA-N 3.31Å; K1211-D1213 VanDerWaalsContact CA-O 3.22Å; K1211-D1213 WeakPolarHBondContact CA-O 3.36Å; K1211-D1213 VanDerWaalsContact CB-O 3.3Å; K1211-D1213 WeakPolarHBondContact CB-O 3.07Å; K1211-D1213 PolarHBondContact N-O 3.46Å
1214R47.8Very low40.7Very low219 Ų219113.6 Ų113.683%0.82670%0.7SS**  -94.299.8117.4-160.9177.5-164174.44.6106.1G1212G1212-R1214 PolarHBondContact O-N 2.93Å
1215G33.9Very low40Very low29 Ų29113.2 Ų113.230%0.29970%0.699SS.*  trans-56.1151.6174.500000111.1
1216F32.1Very low39.7Very low176 Ų176117.4 Ų117.477%0.77270%0.699SS**  trans71.897.6178.1-52.8-74.3000117.3
1217P51.1Low39.5Very low135 Ų135117.7 Ų117.788%0.87770%0.702SS**  trans-78.8147146.9-221.4000110.9
1218G40.5Very low38.8Very low73 Ų73117 Ų11775%0.75370%0.698SS**  trans129.9134.4-179.500000110
1219D34.3Very low38.5Very low168 Ų168118.7 Ų118.790%0.89871%0.709SS**  cis-113.1-173.912.4-120.2-45.7000114.5
1220A40.1Very low38.4Very low81 Ų81120.5 Ų120.567%0.66973%0.728SS**  trans-54.4168172.300000113.2
1221G34.4Very low38.2Very low71 Ų71126.3 Ų126.373%0.73274%0.735SS**  cis70165.232.200000112
1222P34.8Very low37.8Very low100 Ų100124 Ų12465%0.64974%0.735SS**  cis-126.5174.6-18.241.7-28.6000112.7
1223K35.5Very low37.3Very low197 Ų197123.6 Ų123.686%0.85773%0.732SS**  trans68.5151.7170.8-55.3157.5-175171.90112.6
1224G33.9Very low36.5Very low68 Ų68126.8 Ų126.870%0.70175%0.749SS**  cis96.4141.124.400000109.5
1225L30.9Very low35.9Very low155 Ų155123.7 Ų123.781%0.81274%0.741SS**  cis-159.8143.221.2-94.1160.8000111.3
1226R37.8Very low36Very low211 Ų211126 Ų12680%0.79677%0.765SS**  58.4125.7122.3-168.1-172.7-175.1-177.82.8121.8
1227G34Very low36Very low66 Ų66124.6 Ų124.668%0.6876%0.761SS**  trans179.7100.4152.500000108.5
1228L33.1Very low35.3Very low144 Ų144124.9 Ų124.975%0.75476%0.76SS**  65.2141.578-66.2174.8000113.6
1229P39.6Very low34.6Very low125 Ų125124.2 Ų124.281%0.81275%0.753SS**  cis-103.3-172-10.87.318.4000111.3
1230G37.3Very low34.3Very low69 Ų69123.3 Ų123.371%0.71175%0.754SS**  cis86.6133.236.200000110.6
1231R36.2Very low34.3Very low234 Ų234124.3 Ų124.388%0.88376%0.756SS**  cis-170.5156.415.8-147-166.3-169.2-170.74.3110
1232V34.2Very low34.1Very low131 Ų131123.5 Ų123.579%0.79475%0.747SS**  trans67.6160162.7-178.70000116.7
1233G38.3Very low33.9Very low65 Ų65126.7 Ų126.767%0.6776%0.759SS**  trans105.379177.100000112.3
1234D27.6Very low34.3Very low145 Ų145127.2 Ų127.278%0.77576%0.761SS**  53.888.174-76.4-59.6000116
1235K35.2Very low34.2Very low154 Ų154127.5 Ų127.567%0.6777%0.765SS**  70.499.2114.5-156.7-165.3-155.6-146.70119.5Q1237K1235-Q1237 VanDerWaalsContact CE-CD 3.47Å; K1235-Q1237 HydrophobicContact CG-CB 4.27Å; K1235-Q1237 HydrophobicContact CG-CG 4.07Å
1236G35.5Very low34.2Very low77 Ų77129.1 Ų129.179%0.79477%0.768SS**  trans-139106.9142.200000106.8
1237Q31.7Very low34.5Very low148 Ų148124.5 Ų124.569%0.69277%0.765SS**  cis58.162.341.9-90-157.3-43.600114K1235K1235-Q1237 VanDerWaalsContact CE-CD 3.47Å; K1235-Q1237 HydrophobicContact CG-CB 4.27Å; K1235-Q1237 HydrophobicContact CG-CG 4.07Å
1238T35.8Very low34.7Very low141 Ų141125 Ų12587%0.86577%0.77SS**  -151.5136.2122-64.50000106.8
1239G26.7Very low35.2Very low59 Ų59124.9 Ų124.961%0.60877%0.769SS**  cis131.7150.70.500000111.4
1240V27.3Very low35.2Very low149 Ų149124.8 Ų124.890%0.90377%0.766SS**  trans22.8108.1157.3-154.10000115.6
1241S40.4Very low35.2Very low102 Ų102125 Ų12571%0.71377%0.768SS**  -153.9161.157.4-147.70000110
1242G31Very low35.4Very low54 Ų54120.6 Ų120.656%0.55776%0.762SS**  cis92.1120.619.900000109.6
1243D29.6Very low35.8Very low167 Ų167121.4 Ų121.489%0.89376%0.762SS**  trans64.7133.6-168-49.9-35.2000114.4
1244K43.1Very low35.9Very low207 Ų207121.7 Ų121.790%0.977%0.765SS**  cis-142.7126.15.8-178.7176.2-177.1177.40109.8
1245G33.6Very low36.2Very low75 Ų75125.7 Ų125.777%0.77377%0.771SS**  trans-136.1118.1176.800000111.9
1246E30.8Very low36.8Very low188 Ų188123.2 Ų123.288%0.87977%0.77SS**  trans-177.4155168.8-115-176.9-169.100108.3
1247P43Very low36.7Very low114 Ų114123.6 Ų123.674%0.7477%0.774SS**  -126.8169.5-55.428-9.7000112.7
1248G38.2Very low37.1Very low76 Ų76128 Ų12878%0.78478%0.784SS**  trans-129.132.1-176.200000115.6
1249I44.6Very low37Very low143 Ų143131 Ų13173%0.73379%0.785SS**  trans3196.7168.949.1174.2000119.3
1250T39.7Very low37.4Very low123 Ų123130.9 Ų130.976%0.75579%0.785SS**  trans10.5120.1144.6-45.40000119.2N1252T1250-N1252 WeakPolarHBondContact CG2-OD1 3.4Å
1251G36.6Very low37.8Very low72 Ų72131.9 Ų131.974%0.74279%0.785SS**  trans-100.7151.3151.900000111
1252N40.1Very low37.4Very low142 Ų142135 Ų13576%0.75979%0.785SS**  trans-117.9117.3176.5-75.2-9.2000111.3T1250T1250-N1252 WeakPolarHBondContact CG2-OD1 3.4Å
1253D42Very low37.5Very low148 Ų148133.9 Ų133.979%0.79177%0.774SS**  trans33.4108.4143.5-57.5-13.3000120.1
1254G42.1Very low37.5Very low71 Ų71131.2 Ų131.273%0.73276%0.756SS**PPolyproline II helixtrans-71.1142.1151.500000111
1255Y33.2Very low37.1Very low230 Ų230124.7 Ų124.790%0.90274%0.736SS**PPolyproline II helixtrans-59.5128.3-170.8-85.9-92.7000113.7G1257Y1255-G1257 PolarHBondContact O-N 3.2Å
1256P48Very low37.2Very low102 Ų102123.4 Ų123.466%0.66272%0.723SS**PPolyproline II helixtrans-75.9126.2-176.1-17.631.6000114.1R1258P1256-R1258 HydrophobicContact CB-CG 4.34Å; P1256-R1258 PolarHBondContact O-N 2.77Å; P1256-R1258 VanDerWaalsContact O-N 3.16Å
1257G32.6Very low37.3Very low84 Ų84117.3 Ų117.387%0.86670%0.697SS**  trans-7296.9153.500000109.8Y1255Y1255-G1257 PolarHBondContact O-N 3.2Å
1258R40Very low37Very low240 Ų240119 Ų11991%0.90670%0.698SS**PPolyproline II helixtrans-84.1121.4-179.5-96.4-169.3175.1-156.40.2113P1256P1256-R1258 HydrophobicContact CB-CG 4.34Å; P1256-R1258 PolarHBondContact O-N 2.77Å; P1256-R1258 VanDerWaalsContact O-N 3.16Å
1259K34.8Very low37.4Very low204 Ų204118 Ų11889%0.88769%0.687SS**PPolyproline II helixtrans-70.1150.9173.4174.3-177.2175.6-1780112.4
1260G34Very low37.3Very low58 Ų58116.7 Ų116.760%0.59869%0.688SS**PPolyproline II helixtrans-95.1167.1-174.400000118.4
1261D36Very low37.1Very low170 Ų170118.4 Ų118.491%0.90969%0.691SS**  trans78.2134.9143.1-55.8-14.9000125.5
1262K31.5Very low36.9Very low167 Ų167117.3 Ų117.373%0.72668%0.68SS**  trans107.1114.4146.9-160.9160.7-170.4145.40118.1
1263G33.5Very low36.8Very low30 Ų30115.3 Ų115.331%0.30967%0.669SS.*  cis115.5130.7-4.100000116.1Q1157Q1157-G1263 VanDerWaalsContact CG-C 3.41Å; Q1157-G1263 WeakPolarHBondContact CG-O 3.12Å
1264E30Very low36.8Very low112 Ų112112.1 Ų112.152%0.52366%0.656SS.*  trans105.4117.2166.9-54.5171.7121.600125.3Q1157 E1158Q1157-E1264 VanDerWaalsContact C-C 3.5Å; Q1157-E1264 CarbonylContact C-O 3.53Å; Q1157-E1264 WeakPolarHBondContact CB-O 3.28Å; Q1157-E1264 HydrophobicContact CG-CB 4.01Å; Q1157-E1264 WeakPolarHBondContact CG-O 3.35Å; Q1157-E1264 PolarHBondContact NE2-OE2 2.81Å; Q1157-E1264 CarbonylContact O-C 3.04Å; E1158-E1264 VanDerWaalsContact CA-C 3.46Å; E1158-E1264 VanDerWaalsContact N-N 3.12Å; E1158-E1264 PolarHBondContact O-N 3.14Å
1265S36Very low36.5Very low69 Ų69110.7 Ų110.748%0.48364%0.642SS.*  trans55.7156.7157.6-54.80000123
1266G35.6Very low37.1Very low49 Ų49104.9 Ų104.951%0.50563%0.632SS.*  cis146.8166.80.700000111
1267D31.9Very low36.6Very low59 Ų59111.8 Ų111.832%0.31665%0.645SS.*  cis-114.3-109.3-2-54.5-51.3000112.1P1161 G1162P1161-D1267 WeakPolarHBondContact CA-OD1 3.31Å; P1161-D1267 HydrophobicContact CB-CB 4Å; G1162-D1267 PolarHBondContact N-OD1 2.73Å
1268I36.6Very low36.6Very low150 Ų150111.1 Ų111.177%0.76964%0.638SS**  cis-151.3148.52.6-62.3167.7000108.1
1269G47.6Very low36.7Very low54 Ų54108.8 Ų108.856%0.55764%0.637SS**  trans-126.3-170.1171.400000113.7
1270P41Very low37.2Very low117 Ų117105 Ų10576%0.7663%0.634SS**  trans-152.4142.4133.635-16.6000118.4
1271I35.3Very low37.5Very low159 Ų159105 Ų10582%0.81563%0.633SS**  45.9137.2125.9-50164000118.8
1272G34.4Very low37.7Very low49 Ų49103.2 Ų103.251%0.50563%0.631SS.*  cis-179.2-1531600000109.7
1273D37.8Very low38.1Very low99 Ų99105.3 Ų105.353%0.52964%0.64SS.*  cis-178174.4-19.2-84.7-7.9000109.8P979 S980P979-D1273 HydrophobicContact CB-CB 4.1Å; P979-D1273 WeakPolarHBondContact CB-OD1 3.38Å; P979-D1273 VanDerWaalsContact CG-OD1 3.27Å; P979-D1273 WeakPolarHBondContact CG-OD1 3.4Å; S980-D1273 CarbonylContact O-C 3.29Å; S980-D1273 PolarHBondContact O-N 3.4Å
1274P42.1Very low38.3Very low81 Ų81106.8 Ų106.853%0.52666%0.655SS.*  -136.6140-54.537.7-20000117P979P979-P1274 HydrophobicContact CB-CB 3.83Å
1275G35.1Very low38.6Very low41 Ų41111 Ų11142%0.42367%0.672SS.*  trans175.3143.9164.800000121.3S980S980-G1275 PolarHBondContact OG-N 3.26Å; S980-G1275 PolarHBondContact OG-O 3.41Å
1276P46.5Very low39Very low108 Ų108113.8 Ų113.870%0.70169%0.688SS**  trans-122.5160.7-175.442-31.9000117.4
1277R35.7Very low38.9Very low248 Ų248114.5 Ų114.594%0.93670%0.696SS**  trans-171.6121.7144.8-171.4169.8-175.9166.9-0115.8
1278G32.9Very low38.9Very low69 Ų69116.7 Ų116.771%0.71172%0.722SS**  trans79.4140.4140.600000120.5
1279Q42.2Very low38.8Very low191 Ų191115.4 Ų115.489%0.89372%0.724SS**  trans-89.8133.9161.2-71.4177.5-16.400110.5
1280P45.9Very low38.2Very low126 Ų126116 Ų11682%0.81873%0.73SS**  trans-92.7129.4144.4-6.225.8000108.6
1281G40.5Very low37.7Very low57 Ų57119.9 Ų119.959%0.58874%0.738SS**  trans-73.9179.6-176.800000114.4K1283G1281-K1283 PolarHBondContact O-N 2.91Å
1282P40Very low37.5Very low133 Ų133118.5 Ų118.586%0.86474%0.741SS**  trans-54.1126.6166.624.9-33.6000109.3G1284P1282-G1284 PolarHBondContact O-N 3.08Å; P1282-G1284 VanDerWaalsContact O-N 3.11Å
1283K39.5Very low37.3Very low211 Ų211124 Ų12492%0.91776%0.758SS**  trans-62.8114.2178.3-162.2177.3-175.3-176.50107.3G1281G1281-K1283 PolarHBondContact O-N 2.91Å
1284G38.9Very low37.3Very low60 Ų60125.1 Ų125.162%0.61977%0.77SS**PPolyproline II helixtrans-61.9159.8-166.200000113.9P1282P1282-G1284 PolarHBondContact O-N 3.08Å; P1282-G1284 VanDerWaalsContact O-N 3.11Å
1285F34.8Very low36.7Very low202 Ų202126 Ų12689%0.88679%0.785SS**PPolyproline II helixtrans-52.3139.9156.2-77.1-80.7000109G1287F1285-G1287 PolarHBondContact O-N 3.18Å; F1285-G1287 VanDerWaalsContact O-N 3.08Å
1286P44Very low36.5Very low126 Ų126132.9 Ų132.982%0.81881%0.806SS**PPolyproline II helixtrans-55.7118.3168.6-22.233.3000108.9
1287G33.7Very low35.9Very low64 Ų64136.9 Ų136.966%0.6682%0.815SS**PPolyproline II helixtrans-65.7146.1168.900000109.6F1285 P1289F1285-G1287 PolarHBondContact O-N 3.18Å; F1285-G1287 VanDerWaalsContact O-N 3.08Å; G1287-P1289 VanDerWaalsContact O-CD 3.24Å; G1287-P1289 WeakPolarHBondContact O-CD 3.23Å
1288A32.1Very low35.6Very low106 Ų106130.4 Ų130.488%0.87681%0.808SS**  trans-104.550.6166.600000113.8G1290A1288-G1290 PolarHBondContact O-N 3.12Å
1289P34.9Very low36.1Very low123 Ų123132.2 Ų132.280%0.79981%0.807SS**  trans-81.1102.8161.633.6-28.5000108.9G1287G1287-P1289 VanDerWaalsContact O-CD 3.24Å; G1287-P1289 WeakPolarHBondContact O-CD 3.23Å
1290G34Very low35.6Very low67 Ų67131.3 Ų131.369%0.69181%0.807SS**  trans-159.642.5-174.400000113.4A1288 C1292A1288-G1290 PolarHBondContact O-N 3.12Å; G1290-C1292 PolarHBondContact O-N 2.69Å; G1290-C1292 VanDerWaalsContact O-N 3.08Å
1291Q31.8Very low35Very low198 Ų198128.3 Ų128.393%0.92580%0.799SS**  trans-65.3107172.4-77.8-175.9-17.200110.4
1292C30.3Very low34.7Very low129 Ų129133.4 Ų133.487%0.87281%0.812SS**  trans-130.191.4162.1-77.30000109.1G1290G1290-C1292 PolarHBondContact O-N 2.69Å; G1290-C1292 VanDerWaalsContact O-N 3.08Å
1293L30.8Very low34.7Very low164 Ų164132.8 Ų132.886%0.85981%0.809SS**  trans-70.7165.4155.5-61.6170.9000109.1
1294P37.8Very low34.6Very low123 Ų123126.3 Ų126.380%0.79980%0.802SS**  cis-128.2-178.1-2337.9-22.4000111.7
1295A30.2Very low34.5Very low100 Ų100129.4 Ų129.483%0.82681%0.811SS**  trans165162.9136.900000111.2
1296E29.5Very low34.6Very low186 Ų186128.7 Ų128.787%0.86981%0.81SS**  trans-103.8-168.9-176.5-64.4170.697.400112.3
1297E35Very low34.7Very low192 Ų192125.5 Ų125.590%0.89780%0.8SS**  trans86.3159.9165.6-51.7-166.7134.900118.8
1298S29.5Very low34.8Very low112 Ų112128.8 Ų128.878%0.78381%0.81SS**  trans-149.6-172.5-170.5-41.90000107.7
1299P41.9Very low35.2Very low107 Ų107134.8 Ų134.870%0.69581%0.81SS**  cis-127.1-159.7-21.230.1-7.1000111.3
1300I31.7Very low35.3Very low171 Ų171131.2 Ų131.288%0.87780%0.795SS**  trans74.7135.4167.3-52.4166.3000114.7
1301G33.7Very low35.7Very low64 Ų64133.7 Ų133.766%0.6680%0.8SS**  cis-178.4176-3.300000113.1
1302D34.7Very low35.9Very low163 Ų163130.1 Ų130.187%0.87279%0.793SS**  trans-74.9-170.9-177.7-48.5-89.7000113.6
1303P40.7Very low36.1Very low121 Ų121127.1 Ų127.179%0.78678%0.784SS**  cis-145.7149.41.639.2-18000120.2
1304G36.9Very low36.1Very low75 Ų75127 Ų12777%0.77378%0.78SS**  trans56.2-164.7147.500000119.2
1305P37.2Very low35.9Very low124 Ų124129.4 Ų129.481%0.80578%0.777SS**  cis-104.7-154.7-17.640.4-27.2000110.2
1306Q36.1Very low36.1Very low188 Ų188128.1 Ų128.188%0.87977%0.774SS**  cis-156.5171.90.3-153168.90.400110.5
1307G46Very low36.3Very low58 Ų58127.6 Ų127.660%0.59878%0.776SS**  trans-98.7-164.1165.900000113.2
1308P37Very low36.4Very low134 Ų134124.7 Ų124.787%0.8777%0.772SS**  cis-110.4-156.128.442.6-33.4000112.6
1309R39.6Very low36.9Very low231 Ų231123 Ų12387%0.87277%0.772SS**  cis-157156.813.3167.2170.7176.2174.4-1.1112.2
1310G36Very low36.4Very low48 Ų48126.3 Ų126.350%0.49578%0.782SS.*  trans-128.7-150.4159.300000113
1311P42.5Very low37Very low120 Ų120123.9 Ų123.978%0.77978%0.778SS**  cis-120.7-127.8-9.532-9.4000110.7
1312P35.9Very low37.4Very low123 Ų123124.5 Ų124.580%0.79978%0.784SS**  -99-179-90.235.7-19.6000113.3
1313G34.5Very low37.6Very low66 Ų66126.3 Ų126.368%0.6878%0.784SS**  cis159.2155.2-6.100000112.4
1314E32.4Very low37.5Very low162 Ų162127.7 Ų127.776%0.75779%0.79SS**  trans64.8158.3170.9-60-153.1127.800118.3
1315K33Very low37.5Very low172 Ų172127.5 Ų127.575%0.74879%0.788SS**  cis-161.3159.3-0.6-130.1165.8-173.6139.90112.3
1316G35Very low37.6Very low73 Ų73128.9 Ų128.975%0.75378%0.782SS**  trans81.1156.6157.100000117.3
1317L33Very low37.4Very low176 Ų176126.9 Ų126.992%0.92178%0.783SS**  cis-149.5168.74.5-109.8163.3000111.3
1318T37.6Very low37Very low131 Ų131126 Ų12680%0.80477%0.773SS**  trans-121.4131.1-165.249.30000115.7
1319G38.7Very low36.8Very low76 Ų76121.8 Ų121.878%0.78474%0.744SS**  trans66.4153142.300000121.2
1320L31.5Very low36.8Very low176 Ų176116.5 Ų116.592%0.92174%0.739SS**  trans172.6137.8145.3-98.9171.1000110.8
1321P44.5Very low36.9Very low121 Ų121115.9 Ų115.979%0.78673%0.733SS**  trans-106151.9175.337.4-31.4000114.7
1322G43.2Very low36.9Very low76 Ų76113.7 Ų113.778%0.78472%0.719SS**  trans79.1111149.300000119.6
1323K38.5Very low37Very low202 Ų202114.2 Ų114.288%0.87872%0.722SS**  trans-149.6145.4152.1-72-160.9177.9-171.10111.3
1324V37.5Very low37.2Very low149 Ų149114.4 Ų114.490%0.90372%0.724SS**  trans-92.8148.9157.4171.50000108.2
1325G37.1Very low37.4Very low72 Ų72118.8 Ų118.874%0.74273%0.733SS**  trans86.693.1166.400000115.4
1326K39.4Very low37.8Very low152 Ų152113.4 Ų113.466%0.66173%0.727SS**PPolyproline II helixtrans-103.8131.3147.7-85.2-176.1-178.9168.40108.3D1001D1001-K1326 WeakPolarHBondContact OD1-CD 3.41Å; D1001-K1326 IonicContact OD1-NZ 2.65Å; D1001-K1326 PolarHBondContact OD1-NZ 2.79Å; D1001-K1326 IonicContact OD2-NZ 2.91Å; D1001-K1326 PolarHBondContact OD2-NZ 3.21Å
1327T33.1Very low37.7Very low147 Ų147117.8 Ų117.890%0.90273%0.731SS**PPolyproline II helixtrans-68.2145.2150.8-510000107.9
1328G36.2Very low38Very low39 Ų39115.4 Ų115.440%0.40273%0.727SS.*PPolyproline II helixtrans-70.7168.6-16000000118.1
1329D33.8Very low38.2Very low46 Ų46112.7 Ų112.725%0.24673%0.725CS.*  trans-41.5130.3179.1-37.4-15.7000114.8P1003 S1004P1003-D1329 WeakPolarHBondContact CA-OD2 3.3Å; S1004-D1329 PolarHBondContact N-OD2 3.36Å
1330P40Very low38Very low119 Ų119114.3 Ų114.377%0.77372%0.724SS**PPolyproline II helixtrans-90.1141.3165.8-6.625.7000112.8
1331G38.3Very low38.4Very low35 Ų35114.5 Ų114.536%0.36172%0.717SS.*PPolyproline II helixtrans-49.8160.2-170.600000120D1006D1006-G1331 VanDerWaalsContact OD1-CA 3.29Å; D1006-G1331 WeakPolarHBondContact OD1-CA 3.15Å; D1006-G1331 PolarHBondContact OD1-N 3.23Å
1332P42.1Very low38.5Very low75 Ų75111.9 Ų111.949%0.48771%0.712SS.*PPolyproline II helixtrans-81.5136.9-164.332.1-31.8000113D1006D1006-P1332 WeakPolarHBondContact OD2-CB 3.48Å; D1006-P1332 WeakPolarHBondContact OD2-CD 3.2Å
1333P37.5Very low38.3Very low133 Ų133115.5 Ų115.586%0.86471%0.709SS**PPolyproline II helixtrans-80.6159.2172.433.7-35.2000112
1334G38.3Very low38.3Very low70 Ų70115.6 Ų115.672%0.72270%0.703SS**  cis144.4127.5-3.700000112.7
1335R37.1Very low38.5Very low254 Ų254111.6 Ų111.696%0.95869%0.692SS**  trans-175.7136.3168-108.1172.6-175.4-163.11109.7
1336G40.7Very low38.3Very low60 Ų60114.4 Ų114.462%0.61969%0.69SS**  cis-153.5153.2-1000000109.8
1337I33.5Very low38.5Very low164 Ų164112.1 Ų112.184%0.84169%0.691SS**  66.7129.892.9-60.2170000112.2
1338P39.7Very low38.5Very low127 Ų127108.3 Ų108.383%0.82568%0.681SS**  cis-112.8177.116.626.5-6.1000113.7
1339G40.7Very low38.3Very low74 Ų74114.7 Ų114.776%0.76371%0.705SS**  cis147165.18.800000108.3
1340S34.8Very low38.2Very low110 Ų110124.6 Ų124.677%0.76974%0.739SS**  cis-169.9161.8-6.564.30000110.2
1341K40.7Very low37.8Very low180 Ų180121.1 Ų121.178%0.78373%0.725SS**  trans64158.8175.7-78.4176.7170.4177.70116.6
1342G47.3Very low37.5Very low65 Ų65127.2 Ų127.267%0.6775%0.748SS**  cis-99.7163.9-13.100000112.1
1343Q37.4Very low37.1Very low153 Ų153130.1 Ų130.172%0.71577%0.765SS**  65.9133.850.7-63.7-174.7-4.900112.8
1344R38.4Very low36.9Very low203 Ų203127.1 Ų127.177%0.76676%0.758SS**  cis-159.8134.8-1.3154.1-171.7-82.4157.7-8.2109.7D1346R1344-D1346 VanDerWaalsContact CG-OD2 3.29Å; R1344-D1346 WeakPolarHBondContact CG-OD2 3.33Å; R1344-D1346 IonicContact NE-OD2 3.96Å
1345G43.4Very low36.7Very low65 Ų65129.6 Ų129.667%0.6776%0.761SS**  69.7177.1122.800000120.3
1346D32.8Very low36.4Very low131 Ų131126.2 Ų126.270%0.70175%0.753SS**  cis-155.4167-12.9-90.9-42.7000108.7R1344R1344-D1346 VanDerWaalsContact CG-OD2 3.29Å; R1344-D1346 WeakPolarHBondContact CG-OD2 3.33Å; R1344-D1346 IonicContact NE-OD2 3.96Å
1347P43.8Very low36.3Very low104 Ų104126.4 Ų126.468%0.67576%0.755SS**  trans-70.9144.1-175.4-18.632.7000115I1382P1347-I1382 HydrophobicContact CB-CD1 4.15Å; P1347-I1382 HydrophobicContact CG-CD1 3.84Å
1348G32.9Very low36.1Very low68 Ų68126.2 Ų126.270%0.70175%0.751SS**  trans159.6155.1175.900000109.6
1349L31.7Very low35.6Very low173 Ų173129.9 Ų129.991%0.90676%0.757SS**  cis-144.31619.4-70159.8000110
1350R31.3Very low35.4Very low254 Ų254130 Ų13096%0.95876%0.759SS**  trans-122.9127.2151.5-171.2-177.7-172.7-1653.2109
1351G31.9Very low35.4Very low46 Ų46134 Ų13447%0.47477%0.766SS.*  trans80.6140.9-17400000111.9
1352L32Very low34.8Very low162 Ų162130.7 Ų130.785%0.84877%0.772SS**  cis-132.1129.84.6-71.4165.6000108.8
1353T34.1Very low34.2Very low137 Ų137131.1 Ų131.184%0.8478%0.776SS**  59.376.9103.4-43.40000112.4
1354G33.3Very low34.3Very low69 Ų69131.8 Ų131.871%0.71178%0.784SS**  108.5-170.598.800000110.4
1355P33.6Very low34.4Very low122 Ų122127.9 Ų127.979%0.79279%0.785SS**  cis-112.8155.6-10.740.8-29000112.7
1356K31.4Very low34Very low183 Ų183127.9 Ų127.980%0.79679%0.785SS**  48.1121.6101.7-154-162.9174.4-158.10117.7E1358K1356-E1358 WeakPolarHBondContact CE-OE1 3.26Å; K1356-E1358 IonicContact NZ-OE1 3.29Å; K1356-E1358 PolarHBondContact NZ-OE1 2.79Å
1357G37.8Very low34Very low64 Ų64128.5 Ų128.566%0.6679%0.789SS**  trans147.2105.4168.100000108.3
1358E28.4Very low33.8Very low160 Ų160132.1 Ų132.175%0.74880%0.799SS**  68.9116.170-70.9174.6-154.300114.1K1356K1356-E1358 WeakPolarHBondContact CE-OE1 3.26Å; K1356-E1358 IonicContact NZ-OE1 3.29Å; K1356-E1358 PolarHBondContact NZ-OE1 2.79Å
1359Q29.9Very low34.1Very low204 Ų204133.1 Ų133.195%0.95380%0.801SS**  trans43.2115.6155.1-166.9173-1.900120.2
1360G37.3Very low34.1Very low78 Ų78132.5 Ų132.580%0.80480%0.797SS**  trans-175.395.7165.300000113.4
1361E34.5Very low34.5Very low194 Ų194126.1 Ų126.191%0.90779%0.789SS**  trans-86.2171.1161.8-67.8-172.2120.100111
1362A27.6Very low34.7Very low110 Ų110127.5 Ų127.591%0.90980%0.803SS**  trans68.9126.6-17900000115.5
1363G34.1Very low35Very low73 Ų73125 Ų12575%0.75381%0.806SS**  trans-176.6-9.4-174.100000119
1364D41Very low35.1Very low167 Ų167128.9 Ų128.989%0.89381%0.811SS**  trans-74.6142.7156.3-70.4-41.7000108.4
1365P38.8Very low35.4Very low121 Ų121129.2 Ų129.279%0.78681%0.814SS**  cis-129.6-158.5-1.242.7-25.4000112.7
1366G36.6Very low35.3Very low66 Ų66132 Ų13268%0.6882%0.817SS**  trans124.568.9161.700000115.4
1367D31.6Very low35.5Very low144 Ų144132.3 Ų132.377%0.7781%0.813SS**  66.9105.588.3-70.9-51.4000116.9
1368M40.5Very low35.4Very low180 Ų180132.4 Ų132.489%0.88781%0.814SS**  -171.5106108.6-101.8-173.3-67.800113
1369A38.4Very low35.7Very low89 Ų89133.2 Ų133.274%0.73681%0.811SS**  trans57.5144.7136.800000122.2
1370L31.3Very low36.7Very low159 Ų159129.4 Ų129.483%0.83280%0.804SS**  cis-173.7153.5-12.9-112.2173.1000107.8
1371P39.6Very low36.6Very low121 Ų121128.8 Ų128.879%0.78680%0.798SS**  -65.3-177-53.635.7-35.9000110.7
1372G36.2Very low36.5Very low74 Ų74126.8 Ų126.876%0.76379%0.791SS**  cis103.5120.118.400000110.1
1373A39.5Very low37.2Very low111 Ų111129.6 Ų129.692%0.91778%0.783SS**  trans-150.8172.5-15600000115.1
1374K36.3Very low37.3Very low217 Ų217129 Ų12994%0.94378%0.777SS**  trans-134.3131.5178.4-175.6176.2-174.3172.20108.7
1375G39.7Very low37Very low76 Ų76128.3 Ų128.378%0.78477%0.768SS**  trans-133.2141.5-171.100000114.9
1376Q30.1Very low36.7Very low182 Ų182132.5 Ų132.585%0.8577%0.774SS**  trans-158.4143.7162.3-123.3-167.543.500113.5
1377R35.4Very low36.7Very low189 Ų189132.7 Ų132.771%0.71378%0.776SS**  trans75.8120.9150.7-178.7171.5-78-163.1-7.6121.4Y1379R1377-Y1379 HydrophobicContact CG-CD2 4.45Å; R1377-Y1379 HydrophobicContact CG-CE1 4.48Å; R1377-Y1379 HydrophobicContact CG-CE2 4.08Å; R1377-Y1379 VanDerWaalsContact CZ-OH 3.29Å; R1377-Y1379 PolarHBondContact NH1-OH 3.49Å
1378G36.7Very low36.8Very low65 Ų65133.2 Ų133.267%0.6777%0.774SS**  trans134.4137.4135.200000114.3
1379Y34Very low36.8Very low177 Ų177130.7 Ų130.769%0.69477%0.771SS**  cis-162.6176.7-16.8-108.9-37.1000108.2R1377R1377-Y1379 HydrophobicContact CG-CD2 4.45Å; R1377-Y1379 HydrophobicContact CG-CE1 4.48Å; R1377-Y1379 HydrophobicContact CG-CE2 4.08Å; R1377-Y1379 VanDerWaalsContact CZ-OH 3.29Å; R1377-Y1379 PolarHBondContact NH1-OH 3.49Å
1380P52.2Low36.8Very low124 Ų124129.9 Ų129.981%0.80577%0.772SS**  trans-120.3-178.7-141.143.1-29.9000116.6
1381G33.7Very low36.9Very low65 Ų65128.4 Ų128.467%0.6776%0.763SS**  trans-167.9164.1164.100000110.6
1382I33.6Very low36.8Very low152 Ų152128 Ų12878%0.77976%0.76SS**  cis-154.3175.2-10.128.6170.3000108.9P1347P1347-I1382 HydrophobicContact CB-CD1 4.15Å; P1347-I1382 HydrophobicContact CG-CD1 3.84Å
1383K42.7Very low37Very low169 Ų169127.4 Ų127.474%0.73576%0.755SS**  trans-102.5143.8-160.8178.5179.8-176.3-89.20116.5E1385K1383-E1385 WeakPolarHBondContact CE-OE1 3.49Å; K1383-E1385 IonicContact NZ-OE1 2.71Å; K1383-E1385 PolarHBondContact NZ-OE1 3.32Å; K1383-E1385 IonicContact NZ-OE2 2.65Å; K1383-E1385 PolarHBondContact NZ-OE2 3.18Å
1384G36.5Very low36.9Very low60 Ų60130.2 Ų130.262%0.61975%0.754SS**  trans161.6109.3156.400000109.9
1385E34.6Very low37.1Very low153 Ų153127.5 Ų127.572%0.71575%0.749SS**  53.7121.974.7-68.5169168.500112.2K1383K1383-E1385 WeakPolarHBondContact CE-OE1 3.49Å; K1383-E1385 IonicContact NZ-OE1 2.71Å; K1383-E1385 PolarHBondContact NZ-OE1 3.32Å; K1383-E1385 IonicContact NZ-OE2 2.65Å; K1383-E1385 PolarHBondContact NZ-OE2 3.18Å
1386K32.5Very low37.4Very low209 Ų209126.4 Ų126.491%0.90974%0.737SS**  cis-147.2131.128168.8-162.7173-169.30112.9
1387G34.9Very low37.8Very low70 Ų70124.2 Ų124.272%0.72274%0.739SS**  trans72.7114.4139.400000120.5
1388E35Very low38Very low155 Ų155126.2 Ų126.272%0.72475%0.746SS**  trans-125.7122.2153.4-72.3-177.9135.700108.9
1389P41Very low38.3Very low127 Ų127125.2 Ų125.283%0.82574%0.736SS**PPolyproline II helixtrans-59.8145.5147.9-16.332000108.7I1391P1389-I1391 PolarHBondContact O-N 2.9Å
1390G36.3Very low38.3Very low73 Ų73120.1 Ų120.175%0.75373%0.725SS**PPolyproline II helixtrans-53.8133.3-159.800000116P1392G1390-P1392 WeakPolarHBondContact O-CD 3.19Å
1391I35.3Very low37.6Very low127 Ų127120.8 Ų120.865%0.65172%0.72SS**PPolyproline II helixtrans-66.1128.9166.3-47.4179.1000108.1P1389P1389-I1391 PolarHBondContact O-N 2.9Å
1392P37.3Very low37.8Very low112 Ų112120.2 Ų120.273%0.72771%0.714SS**  trans-64.1175.5170.6-23.235.6000113.2G1390G1390-P1392 WeakPolarHBondContact O-CD 3.19Å
1393G39.2Very low37.7Very low63 Ų63120.6 Ų120.665%0.64972%0.717SS**SBendtrans-58.6160.7-178.800000115I1395G1393-I1395 PolarHBondContact O-N 2.82Å
1394D38.2Very low37.6Very low169 Ų169118.3 Ų118.390%0.90472%0.72SS**  trans-51.1107.3-168-61.6-74.4000114.5G1396D1394-G1396 PolarHBondContact O-N 2.82Å
1395I40.8Very low37.5Very low161 Ų161118.3 Ų118.383%0.82672%0.72SS**  trans-77.780166.7-57.8-175.3000108.6G1393G1393-I1395 PolarHBondContact O-N 2.82Å
1396G44.6Very low37.8Very low53 Ų53114.8 Ų114.855%0.54671%0.711SS.*PPolyproline II helixtrans-55156.4160.100000111.7D1394D1394-G1396 PolarHBondContact O-N 2.82Å
1397P38.7Very low38.1Very low135 Ų135111.4 Ų111.488%0.87771%0.707SS**PPolyproline II helixtrans-74.1132.9-148.625.8-35.1000115.3G1399P1397-G1399 PolarHBondContact O-N 3.25Å
1398R40.8Very low38.3Very low231 Ų231111.1 Ų111.187%0.87271%0.705SS**PPolyproline II helixtrans-66.4119175.9175175.9174.6178.5-1.8112.3
1399G41.8Very low38.3Very low44 Ų44110.4 Ų110.445%0.45471%0.706SS.*PPolyproline II helixtrans-74.7169.6165.800000113.8P1397P1397-G1399 PolarHBondContact O-N 3.25Å
1400P34.6Very low38.6Very low71 Ų71110.7 Ų110.746%0.46171%0.705SS.*PPolyproline II helixtrans-66.1155.8-17329.5-36.6000112.5K195K195-P1400 HydrophobicContact CB-CG 4.09Å
1401I38.2Very low38.8Very low138 Ų138109.4 Ų109.471%0.70869%0.691SS**  -151.1150.466.3-80.6161.5000111.9
1402G36.8Very low38.7Very low52 Ų52111 Ų11154%0.53670%0.701SS.*  trans-121.1164.4150.600000108
1403D32.2Very low38.9Very low160 Ų160111.3 Ų111.386%0.85670%0.703SS**  cis-144.7-173.717.3-56.2-55000108.1
1404P40.1Very low39Very low121 Ų121111.5 Ų111.579%0.78671%0.705SS**  cis-122.4-161.7-2.529.2-4.8000114.1
1405G35Very low39.5Very low60 Ų60111.3 Ų111.362%0.61970%0.703SS**  trans-88.7-138.1-165.400000115.5
1406P41.1Very low39.2Very low80 Ų80110.3 Ų110.352%0.51970%0.7SS.*  cis-114.1-158.5-8.143.7-32.4000110.7E177E177-P1406 HydrophobicContact CB-CG 3.74Å; E177-P1406 HydrophobicContact CG-CG 4.12Å; E177-P1406 WeakPolarHBondContact OE1-CD 3.44Å; E177-P1406 WeakPolarHBondContact OE2-CB 3.38Å; E177-P1406 WeakPolarHBondContact OE2-CG 3.27Å
1407T38.1Very low39.1Very low137 Ų137111.6 Ų111.684%0.8471%0.713SS**  cis-154.9161.6-5.6-5.80000106.3
1408G39.2Very low39Very low65 Ų65115.3 Ų115.367%0.6771%0.709SS**  cis165.4121.2-14.200000109.8
1409D34.4Very low39.2Very low139 Ų139110.1 Ų110.174%0.74371%0.706SS**  trans-147143.8169.7-114.5-30.4000107.8
1410V47.5Very low39.3Very low134 Ų134111.5 Ų111.581%0.81272%0.72SS**  trans-100.1144.9-169.3-178.60000110.3
1411G40.1Very low39.4Very low45 Ų45115.8 Ų115.846%0.46474%0.738SS.*  trans-123.2176.2-179.300000115.2
1412L34Very low39.8Very low162 Ų162117.4 Ų117.485%0.84875%0.747SS**  trans74.9104167.6-57.9179.3000116.8E114E114-L1412 PolarHBondContact OE2-N 3.4Å
1413P41.3Very low40.4Very low118 Ų118118.2 Ų118.277%0.76676%0.755SS**  trans-84.5136.9172.8-9.627.5000114.4
1414G41.8Very low40.7Very low67 Ų67117.4 Ų117.469%0.69176%0.759SS**  trans78.1155.9151.900000118.3
1415D48.9Very low40.9Very low164 Ų164123.3 Ų123.388%0.87777%0.766SS**  cis-167.6146.2-10.1-108.6-24.8000109.5
1416D34.6Very low40.9Very low141 Ų141123.3 Ų123.375%0.75477%0.766SS**  trans-167.5124.8143.9-124.6-28.8000111.6R1418D1416-R1418 IonicContact OD1-NE 3.76Å
1417G41.7Very low40.4Very low79 Ų79126.6 Ų126.681%0.81478%0.779SS**  trans-174.833-169.500000116.7
1418R37.3Very low40.4Very low213 Ų213130.3 Ų130.380%0.80478%0.784SS**  trans-58.4170.1-176-59.8176.9-177.4-150-2.4115.2D1416D1416-R1418 IonicContact OD1-NE 3.76Å
1419P44.7Very low40.8Very low123 Ų123129.7 Ų129.780%0.79978%0.777SS**  cis-140.1170.6-39.838.2-22.1000114.2
1420G42.9Very low40.7Very low73 Ų73130.6 Ų130.675%0.75378%0.782SS**  trans-176.6139.2163.500000113.5
1421L37.9Very low40.2Very low161 Ų161130 Ų13084%0.84378%0.779SS**  trans-125.8141.1-176.2-85.885.9000114.4
1422L47.1Very low40.6Very low171 Ų171131 Ų13190%0.89579%0.789SS**  trans79.8119.8148.2-111.176.5000122.6
1423G48.4Very low40.8Very low69 Ų69133.9 Ų133.971%0.71179%0.789SS**  trans112.5150.3140.400000116.5
1424P39.4Very low40.8Very low144 Ų144133.5 Ų133.594%0.93579%0.786SS**  cis-109.4-1412.641-30.2000113.9
1425R44.2Very low40.2Very low244 Ų244133.8 Ų133.892%0.92179%0.79SS**  trans-143.2149.5-159.4166.2-174.8172.6-174.2-0.6113.2
1426G35Very low39.6Very low60 Ų60132 Ų13262%0.61978%0.784SS**  trans116.7152.6165.500000113.4
1427D29.6Very low39.6Very low150 Ų150131.2 Ų131.280%0.80279%0.785SS**  cis-152.5-164.6-5.1-92.5-31.1000110.6G1429D1427-G1429 PolarHBondContact O-N 3.22Å
1428K38.8Very low39.8Very low215 Ų215130.6 Ų130.694%0.93578%0.778SS**SBendtrans-70.2105.8176.1178.2-164.9171.5-175.30111.1
1429G47.8Very low39.6Very low52 Ų52129.1 Ų129.154%0.53678%0.783SS.*SBendtrans80176.8176.700000113.5D1427D1427-G1429 PolarHBondContact O-N 3.22Å
1430D31.9Very low39.1Very low158 Ų158130.5 Ų130.585%0.84578%0.776SS**  trans28.6109.7139.2-40.3-34.4000116.6
1431T36.6Very low39.1Very low121 Ų121131.2 Ų131.274%0.74278%0.783SS**  cis-159.9158.19.4-37.80000109.7
1432G49.4Very low39Very low66 Ų66129.5 Ų129.568%0.6877%0.771SS**  trans-83.8-116.8-172.700000117.7
1433W37.5Very low38.8Very low223 Ų223128.5 Ų128.585%0.84577%0.765SS**  trans76.5165.3-177.9-5484.5000116.5
1434P41.3Very low38.5Very low109 Ų109128.3 Ų128.371%0.70876%0.763SS**  cis-129.6166-11.736.6-20.9000115.7
1435G28.8Very low38.4Very low74 Ų74127.8 Ų127.876%0.76375%0.752SS**SBendtrans167.3110.915700000113
1436T36.2Very low38.4Very low125 Ų125123.3 Ų123.377%0.76775%0.752SS**  cis-78.5151.7-651.20000111.4
1437V35.8Very low38.5Very low126 Ų126123.3 Ų123.376%0.76475%0.752SS**  59.8128.157.8-177.70000112.8
1438G44.8Very low39.2Very low65 Ų65123.7 Ų123.767%0.6775%0.754SS**  trans84.578175.500000113.7
1439M33.3Very low39.4Very low183 Ų183119.9 Ų119.990%0.90175%0.751SS**  49.3109.674.4-62.6-170.972.400115.4
1440K34.1Very low39.4Very low152 Ų152121.2 Ų121.266%0.66176%0.764SS**  trans52.371.3145.1-159.4-171.9176.185.50117.3E1442K1440-E1442 WeakPolarHBondContact CE-OE2 3.4Å; K1440-E1442 HydrophobicContact CG-CB 4.17Å; K1440-E1442 HydrophobicContact CG-CG 4.15Å; K1440-E1442 IonicContact NZ-OE1 3.97Å; K1440-E1442 PolarHBondContact NZ-OE1 3.49Å; K1440-E1442 IonicContact NZ-OE2 2.69Å; K1440-E1442 PolarHBondContact NZ-OE2 3.04Å; K1440-E1442 PolarHBondContact O-N 2.79Å
1441G42.4Very low39.7Very low88 Ų88119.1 Ų119.191%0.90776%0.76SS**  trans-86.577.914500000110.2
1442E37.5Very low40.2Very low124 Ų124121 Ų12158%0.57976%0.763SS**  trans-89.1152.9168.1-94.6169.3-134.200110.4K1440K1440-E1442 WeakPolarHBondContact CE-OE2 3.4Å; K1440-E1442 HydrophobicContact CG-CB 4.17Å; K1440-E1442 HydrophobicContact CG-CG 4.15Å; K1440-E1442 IonicContact NZ-OE1 3.97Å; K1440-E1442 PolarHBondContact NZ-OE1 3.49Å; K1440-E1442 IonicContact NZ-OE2 2.69Å; K1440-E1442 PolarHBondContact NZ-OE2 3.04Å; K1440-E1442 PolarHBondContact O-N 2.79Å
1443I42.1Very low39.5Very low150 Ų150120.9 Ų120.977%0.76976%0.762SS**  trans72.4124.4170.5-59.2155000114.7
1444G41.8Very low39.8Very low65 Ų65117.8 Ų117.867%0.6776%0.761SS**  cis166.2-167.2-7.200000116.4
1445D38.2Very low39.6Very low133 Ų133118.9 Ų118.971%0.71177%0.768SS**  trans72.5110.8136.3-56.1-10.9000121.9
1446V43.9Very low40Very low150 Ų150118.1 Ų118.191%0.90976%0.76SS**  trans75.1136.5138.5179.60000117.9
1447G37.7Very low40.1Very low60 Ų60120.2 Ų120.262%0.61977%0.765SS**  cis163.5157.1-8.600000114.1
1448D42.7Very low40.5Very low159 Ų159120.2 Ų120.285%0.8577%0.768SS**  trans26.7134.5160.1-53.3-16000121.1
1449P44.7Very low40Very low135 Ų135120.8 Ų120.888%0.87777%0.773SS**  -132.3138.197.211.98.3000114.5
1450G46.1Very low40Very low79 Ų79120.8 Ų120.881%0.81477%0.771SS**  trans-119.8129.7171.400000113.4
1451P38.6Very low40.1Very low115 Ų115120.6 Ų120.675%0.74778%0.777SS**  trans-131.5141.1161.135.1-21.2000112.7
1452I47Very low40Very low160 Ų160121.9 Ų121.982%0.82177%0.767SS**  cis-146.4146.7-5.6-89.7155.1000107.9
1453G35.8Very low39.9Very low64 Ų64123.7 Ų123.766%0.6678%0.779SS**  trans-136.3159.1146.300000107.8
1454I43.3Very low39.7Very low158 Ų158119.4 Ų119.481%0.8177%0.773SS**  cis-146.3164.62.2-27.3175.4000106.6
1455P36.1Very low39.2Very low131 Ų131124.3 Ų124.385%0.85178%0.782SS**  -145.9170.899.731.2-12000114.1
1456G38.2Very low39.5Very low59 Ų59123.5 Ų123.561%0.60879%0.785SS**  cis160.664.8-6.200000116.8
1457I38.7Very low39.3Very low169 Ų169119.8 Ų119.887%0.86778%0.777SS**  trans67.6179.2160.4-11.8-177.6000115
1458P42.7Very low39.6Very low126 Ų126122.5 Ų122.582%0.81878%0.781SS**  -115.3164.4-108.440.6-26.7000116.1
1459G34.1Very low39.6Very low77 Ų77123.9 Ų123.979%0.79478%0.779SS**  trans-167.8158.9172.600000113.2
1460E35Very low39.7Very low182 Ų182120 Ų12085%0.8576%0.764SS**  trans-62.3157.9-165.7-63.1160.1136.400117.9
1461D36.5Very low39.1Very low148 Ų148123.4 Ų123.479%0.79176%0.759SS**  trans78.7140.4134.6-80.516.1000126.5
1462V38.5Very low38.8Very low115 Ų115126.9 Ų126.970%0.69776%0.762SS**  trans84.9101140.6165.80000122.1
1463I36.1Very low38.6Very low162 Ų162122.6 Ų122.683%0.83176%0.757SS**  trans65.8128.7132.7-56.9177.2000121.7
1464G37.1Very low38.6Very low61 Ų61128.5 Ų128.563%0.62977%0.767SS**  trans112.196.1154.800000114.6
1465L33.3Very low38.2Very low167 Ų167127.1 Ų127.187%0.87477%0.769SS**  61.4143.759.2-64172.5000115.2
1466P43.7Very low38.1Very low117 Ų117124.4 Ų124.476%0.7677%0.765SS**  cis-136.2178.3-17.938.6-20.8000115.1V1468P1466-V1468 HydrophobicContact CB-CG2 4.38Å
1467G40.4Very low38Very low72 Ų72131.4 Ų131.474%0.74278%0.778SS**  trans139.250.2166.100000115.1
1468V42.9Very low38.3Very low116 Ų116129.1 Ų129.170%0.70378%0.775SS**  59.9105.673.4179.10000114.1P1466P1466-V1468 HydrophobicContact CB-CG2 4.38Å
1469K42.5Very low37.9Very low188 Ų188125.8 Ų125.882%0.81776%0.763SS**  160.3121.4128.8-177.3176.8-177.6-175.60110.6
1470G47.5Very low37.8Very low54 Ų54127.1 Ų127.156%0.55775%0.748SS**  cis-154.5154.7-1500000107.5
1471E34.3Very low38.3Very low151 Ų151126.2 Ų126.271%0.70674%0.742SS**  cis61.113448.7-71.2-163.4-123.500113.1
1472K31.7Very low38.2Very low188 Ų188122.2 Ų122.282%0.81774%0.735SS**  cis-179.4146.9-0.9164.9175.2179.9177.40108.5
1473G42.8Very low38.1Very low69 Ų69125.8 Ų125.871%0.71175%0.746SS**  cis171.7-153.7-1.900000112
1474E34.7Very low38.7Very low188 Ų188126.4 Ų126.488%0.87975%0.75SS**  trans-66.5-177.1166.5-41.6173.7105.200111.8
1475P36.7Very low38.8Very low130 Ų130125.8 Ų125.884%0.84474%0.743SS**  cis-125.6-165.7-5.933.8-11.1000111.7
1476G32.9Very low39.1Very low74 Ų74121.7 Ų121.776%0.76372%0.72SS**  cis-174-163.512.300000113.6
1477K35.6Very low39.3Very low206 Ų206121.8 Ų121.890%0.89672%0.72SS**  trans-112.7-170-171.5-38.4172-177.4173.60110.8
1478P44.8Very low39.4Very low121 Ų121121.1 Ų121.179%0.78671%0.708SS**  cis-129.4-163.7-27.432.5-10.3000112.7
1479G34.3Very low39.5Very low55 Ų55121.7 Ų121.757%0.56771%0.714SS**  trans172.2152.5165.700000117.7G1513G1479-G1513 CarbonylContact C-O 3.53Å
1480Q33.8Very low39.5Very low106 Ų106124.1 Ų124.150%0.49572%0.718SS.*  trans-114172-164.7-144.6160.821.800117.4P1512 G1513 P1514Q1480-P1512 HydrophobicContact CB-CB 3.38Å; Q1480-G1513 WeakPolarHBondContact CA-O 3.28Å; Q1480-G1513 VanDerWaalsContact CB-C 3.45Å; Q1480-G1513 WeakPolarHBondContact CB-O 3.34Å; Q1480-G1513 WeakPolarHBondContact CG-O 3.34Å; Q1480-G1513 PolarHBondContact N-O 2.85Å; Q1480-P1514 WeakPolarHBondContact CG-O 3.01Å; Q1480-P1514 PolarHBondContact NE2-O 3.38Å
1481K44Very low39.1Very low163 Ų163124.9 Ų124.971%0.70973%0.726SS**  trans-59.9125.6-177.5-173-166.8-167.3-179.60116.9K1515K1481-K1515 HydrophobicContact CB-CB 4.19Å; K1481-K1515 HydrophobicContact CB-CG 4.46Å; K1481-K1515 HydrophobicContact CD-CG 4.02Å; K1481-K1515 HydrophobicContact CG-CD 4.5Å; K1481-K1515 HydrophobicContact CG-CG 4.32Å
1482G35.5Very low39.3Very low63 Ų63125.8 Ų125.865%0.64974%0.735SS**  trans-143.9136.4152.700000108
1483M34.8Very low39.6Very low191 Ų191127.3 Ų127.394%0.94174%0.741SS**  61.113573.6-70.7-166.168.700114.8
1484I49.2Very low39.7Very low175 Ų175127.4 Ų127.490%0.89774%0.742SS**  trans-76.3125.3-178.2-69.7174.5000109.8
1485G39Very low40.1Very low48 Ų48123.3 Ų123.350%0.49574%0.741SS.*  trans-114.5105.7171.800000111.9
1486E40.9Very low40.4Very low81 Ų81127.5 Ų127.538%0.37975%0.745SS.*  trans5.9129.3163.3-63.4176.389.500121.4K566 G567K566-E1486 VanDerWaalsContact CA-CD 3.42Å; K566-E1486 VanDerWaalsContact CA-OE1 3.31Å; K566-E1486 WeakPolarHBondContact CA-OE1 3.49Å; K566-E1486 VanDerWaalsContact CA-OE2 3.24Å; K566-E1486 WeakPolarHBondContact CA-OE2 3.49Å; K566-E1486 HydrophobicContact CB-CB 4.26Å; K566-E1486 HydrophobicContact CD-CB 4.41Å; K566-E1486 HydrophobicContact CG-CB 4.09Å; K566-E1486 PolarHBondContact N-OE1 3.41Å; G567-E1486 PolarHBondContact N-OE2 2.69Å
1487P47.4Very low41.1Very low118 Ų118127.1 Ų127.177%0.76674%0.742SS**  trans-68.8178.8159.3-15.230.5000114
1488A42.3Very low41.4Very low59 Ų59126.7 Ų126.749%0.48874%0.743SS.*  trans76.6163175.300000114.2
1489P44.9Very low41.3Very low128 Ų128130.1 Ų130.183%0.83175%0.751SS**  cis-89.6-177.110.5-6.127.3000116.1
1490R43Very low41.9Very low239 Ų239130.9 Ų130.990%0.90276%0.759SS**  trans-146.1134-161.5178.5-171.6-173.6-173.34112.6
1491G38.5Very low42.3Very low70 Ų70134.3 Ų134.372%0.72278%0.78SS**  trans81.4175167.200000115.1
1492L39.3Very low42.5Very low170 Ų170132.2 Ų132.289%0.8978%0.783SS**  cis-138.4176.1-7.7-67.193.3000108.9
1493K38Very low42.8Very low219 Ų219132.8 Ų132.895%0.95279%0.788SS**  trans-113.5112.5160-168.1173.9-176178.20111
1494G44.8Very low43.4Very low71 Ų71130 Ų13073%0.73278%0.784SS**  trans141.8119.2-178.700000109.5
1495A43.3Very low43.1Very low103 Ų103128.6 Ų128.685%0.85178%0.784SS**  cis-133.8-167.2-0.700000111.1
1496K42.8Very low43.4Very low217 Ų217129.4 Ų129.494%0.94379%0.792SS**  trans-67131.9177.6-172.3-177.3178.5-172.60110.1
1497G47.9Very low43.6Very low67 Ų67137.7 Ų137.769%0.69182%0.82SS**  trans-125.5-164.4-17300000115.2
1498E41.4Very low43.2Very low197 Ų197141 Ų14192%0.92183%0.825SS**  trans-132.4-175.8-171.9-62.2-165.713500113.8
1499M42Very low43.4Very low193 Ų193144.1 Ų144.195%0.95184%0.841SS**  trans-79.6168-158.4-75.2174.6-82.500117.7
1500G47.2Very low43.4Very low71 Ų71139.7 Ų139.773%0.73282%0.819SS**  trans-145.8-176.9172.300000113.8
1501L41.7Very low43.4Very low178 Ų178135.5 Ų135.593%0.93281%0.809SS**  trans-145.4166.6-178-78.9178000112.4
1502P48.1Very low44.3Very low119 Ų119134.3 Ų134.377%0.77379%0.789SS**  trans-133.9164.8-143.143.3-29.5000120.6
1503G41.8Very low45Very low74 Ų74127.5 Ų127.576%0.76376%0.76SS**  trans85.9169.7148.300000119.3
1504P47.1Very low45.4Very low132 Ų132122.1 Ų122.186%0.85775%0.747SS**  cis-125.3-148.2-1.241-22.8000115.2
1505T43.8Very low46.1Very low146 Ų146124.7 Ų124.790%0.89674%0.738SS**  trans-150.8152.7-141.2-46.40000118.8
1506G45.9Very low46.7Very low65 Ų65122.2 Ų122.267%0.6772%0.723SS**  trans140.6158.3146.100000117.1
1507R43.9Very low46.8Very low256 Ų256119.2 Ų119.297%0.96672%0.717SS**  cis-160.4165.6-14.3-102.6-179.6-179.7176.4-0.3110.5
1508E40.6Very low47.4Very low186 Ų186120 Ų12087%0.86971%0.71SS**  trans-93.1-173-162.5-74.6177.5153.900117.8
1509P46.5Very low48.1Very low125 Ų125112.8 Ų112.881%0.81269%0.688SS**  cis-141.2161.8-30.330.6-9.8000118.7
1510G43.5Very low48.3Very low36 Ų36108.8 Ų108.837%0.37167%0.671SS.*  trans98.4170.8140.500000122.5
1511E43.4Very low48.6Very low151 Ų151111.6 Ų111.671%0.70666%0.663SS**  cis-166.9169.1-24.4-94.6-40.473.400113.5K569K569-E1511 IonicContact NZ-OE1 3.59Å; K569-E1511 PolarHBondContact NZ-OE1 2.95Å
1512P57.9Low49.1Very low45 Ų45105 Ų10529%0.29264%0.637SS.*  trans-112.9159.9-154.9-0.626.1000120.3Q1480Q1480-P1512 HydrophobicContact CB-CB 3.38Å
1513G54.2Low49.2Very low27 Ų27106 Ų10628%0.27864%0.635SS.*  trans-95-130.1-179.800000119G1479 Q1480G1479-G1513 CarbonylContact C-O 3.53Å; Q1480-G1513 WeakPolarHBondContact CA-O 3.28Å; Q1480-G1513 VanDerWaalsContact CB-C 3.45Å; Q1480-G1513 WeakPolarHBondContact CB-O 3.34Å; Q1480-G1513 WeakPolarHBondContact CG-O 3.34Å; Q1480-G1513 PolarHBondContact N-O 2.85Å
1514P45.4Very low50Low106 Ų106107.1 Ų107.169%0.68863%0.628SS**  trans-119.1171.7-17441.4-34000118Q1480Q1480-P1514 WeakPolarHBondContact CG-O 3.01Å; Q1480-P1514 PolarHBondContact NE2-O 3.38Å
1515K58.9Low50.3Low124 Ų124103.6 Ų103.654%0.53962%0.616SS.*  trans-133.1134.7169.7-175.4-137.6169.4-157.50111.4K1481K1481-K1515 HydrophobicContact CB-CB 4.19Å; K1481-K1515 HydrophobicContact CB-CG 4.46Å; K1481-K1515 HydrophobicContact CD-CG 4.02Å; K1481-K1515 HydrophobicContact CG-CD 4.5Å; K1481-K1515 HydrophobicContact CG-CG 4.32Å
1516G56.3Low50.4Low52 Ų52103.1 Ų103.154%0.53661%0.608SS.*PPolyproline II helixtrans-73.3166.9173.300000115.9
1517D44.5Very low50.7Low154 Ų154107.9 Ų107.982%0.82462%0.616SS**PPolyproline II helixtrans-87142.1-153.6-50.6-75.9000114.8
1518P61.3Low51.1Low83 Ų8398 Ų9854%0.53959%0.594SS.*PPolyproline II helixtrans-70.5168148.7-1.921.4000110
1519G55.7Low51.3Low45 Ų4595.1 Ų95.146%0.46459%0.591SS.*SBendtrans-52.2148.416100000111.3L945L945-G1519 WeakPolarHBondContact CB-O 3.46Å; L945-G1519 WeakPolarHBondContact CD1-O 3.35Å
1520L46.6Very low51.8Low110 Ų11099.7 Ų99.758%0.57659%0.592SS**PPolyproline II helixtrans-50.8157.7-177.3-69.2156.5000111.6L945 G946 A947 A948L945-L1520 VanDerWaalsContact CB-O 3.28Å; L945-L1520 WeakPolarHBondContact CB-O 3.32Å; G946-L1520 CarbonylContact C-O 3.54Å; G946-L1520 WeakPolarHBondContact CA-O 3.46Å; G946-L1520 PolarHBondContact O-N 3.29Å; A947-L1520 HydrophobicContact CB-CB 3.2Å; A947-L1520 HydrophobicContact CB-CD1 4.2Å; A947-L1520 HydrophobicContact CB-CG 4.31Å; A947-L1520 PolarHBondContact N-O 2.9Å; A948-L1520 WeakPolarHBondContact O-CD1 3.01Å
1521K54.2Low52Low130 Ų130100.8 Ų100.857%0.56560%0.604SS**PPolyproline II helixtrans-85.4120.1167.3-177.7149.7-167.4-176.10109.9L945 A947 I1523L945-K1521 HydrophobicContact CD1-CB 3.92Å; L945-K1521 HydrophobicContact CD2-CB 3.9Å; L945-K1521 HydrophobicContact CD2-CD 3.72Å; L945-K1521 HydrophobicContact CD2-CG 3.7Å; A947-K1521 VanDerWaalsContact CB-O 3.31Å; A947-K1521 WeakPolarHBondContact CB-O 3.26Å; K1521-I1523 PolarHBondContact O-N 3.29Å
1522G51.5Low52.2Low38 Ų38102 Ų10239%0.39261%0.611SS.*  trans-45.5117.3166.900000108.1A947 P1524A947-G1522 VanDerWaalsContact CB-CA 3.49Å; A947-G1522 VanDerWaalsContact CB-N 3.27Å; G1522-P1524 WeakPolarHBondContact O-CD 3.21Å
1523I50.2Low52.4Low142 Ų142104.7 Ų104.773%0.72863%0.629SS**  trans-49.7120.2-167.4-56.9174.3000106.6K1521 G1525K1521-I1523 PolarHBondContact O-N 3.29Å; I1523-G1525 PolarHBondContact O-N 2.85Å
1524P59Low52.1Low96 Ų96106.4 Ų106.462%0.62365%0.647SS**  trans-63.595.1167.1-12.728000104.7G1522 D1526G1522-P1524 WeakPolarHBondContact O-CD 3.21Å; P1524-D1526 PolarHBondContact O-N 3.08Å
1525G53.6Low52.2Low58 Ų58109.1 Ų109.160%0.59866%0.656SS**  trans-50.7140-171.800000109.2I1523 I1527I1523-G1525 PolarHBondContact O-N 2.85Å; G1525-I1527 PolarHBondContact O-N 3.15Å
1526D44.4Very low51.9Low137 Ų137109.6 Ų109.673%0.73367%0.668SS**  trans-39.7130.1-167.5-71.7-51.6000111P1524 G1528P1524-D1526 PolarHBondContact O-N 3.08Å; D1526-G1528 PolarHBondContact O-N 3.15Å
1527I53Low51.8Low165 Ų165109.6 Ų109.685%0.84667%0.669SS**  trans-66.686.5166.6-59.8178.6000104.9G1525G1525-I1527 PolarHBondContact O-N 3.15Å
1528G51.7Low52.2Low47 Ų47108 Ų10849%0.48567%0.667SS.*  trans-48.3127.1-171.900000107.9D1526 R1530D1526-G1528 PolarHBondContact O-N 3.15Å; G1528-R1530 WeakPolarHBondContact O-CA 3.22Å; G1528-R1530 PolarHBondContact O-N 3.15Å
1529P46.3Very low52Low127 Ų127109.7 Ų109.783%0.82568%0.678SS**  trans-49.6111.7-159.218.8-33.1000108.4G1531P1529-G1531 WeakPolarHBondContact O-CA 3.21Å; P1529-G1531 PolarHBondContact O-N 3.09Å
1530R56.9Low51.8Low220 Ų220110.5 Ų110.583%0.8369%0.686SS**  trans-44106.2-164.3173.3-171.9173.8179-0.7107.7G1528 M1532G1528-R1530 WeakPolarHBondContact O-CA 3.22Å; G1528-R1530 PolarHBondContact O-N 3.15Å; R1530-M1532 PolarHBondContact O-N 2.82Å
1531G47.2Very low52.2Low59 Ų59111.3 Ų111.361%0.60870%0.698SS**  trans-46.9121.7-165.600000108.7P1529 P1533P1529-G1531 WeakPolarHBondContact O-CA 3.21Å; P1529-G1531 PolarHBondContact O-N 3.09Å; G1531-P1533 WeakPolarHBondContact O-CD 3.16Å
1532M47.7Very low52Low176 Ų176114.3 Ų114.387%0.86771%0.714SS**  trans-47.1121.5-176.4-67.9-176.777.600106.2R1530 G1534R1530-M1532 PolarHBondContact O-N 2.82Å; M1532-G1534 PolarHBondContact O-N 3.21Å
1533P61.4Low51.8Low103 Ų103115.8 Ų115.867%0.66973%0.73SS**  trans-54.4108.3-175.6-25.734.1000107G1531 D1535G1531-P1533 WeakPolarHBondContact O-CD 3.16Å; P1533-D1535 PolarHBondContact O-N 3.05Å
1534G48.2Very low51.8Low63 Ų63118.9 Ų118.965%0.64974%0.738SS**  trans-53.9129.1-167.200000108.1M1532 V1536M1532-G1534 PolarHBondContact O-N 3.21Å; G1534-V1536 PolarHBondContact O-N 3.39Å
1535D48.2Very low51.4Low163 Ų163119.9 Ų119.987%0.87275%0.747SS**  trans-45.2118.8-171.7-75.9-55.4000108.5P1533 G1537P1533-D1535 PolarHBondContact O-N 3.05Å; D1535-G1537 VanDerWaalsContact C-N 3.35Å; D1535-G1537 PolarHBondContact O-N 2.8Å
1536V52Low51.1Low133 Ų133119.5 Ų119.581%0.80674%0.744SS**  trans-60.1105.7-173.2176.10000105.7G1534G1534-V1536 PolarHBondContact O-N 3.39Å
1537G53.5Low51.6Low53 Ų53117.6 Ų117.655%0.54674%0.739SS.*PPolyproline II helixtrans-48.1131.4-173.700000108.3D1535 P1539D1535-G1537 VanDerWaalsContact C-N 3.35Å; D1535-G1537 PolarHBondContact O-N 2.8Å; G1537-P1539 VanDerWaalsContact O-N 3.11Å
1538P53Low51.2Low121 Ų121115.8 Ų115.879%0.78674%0.737SS**PPolyproline II helixtrans-49.3126.2-16919.8-32.7000108G1540P1538-G1540 PolarHBondContact O-N 3.37Å
1539P57.1Low50.9Low117 Ų117116.7 Ų116.776%0.7675%0.747SS**PPolyproline II helixtrans-47.4121.7-176.7-29.835000108.6G1537G1537-P1539 VanDerWaalsContact O-N 3.11Å
1540G51.3Low51Low63 Ų63117.8 Ų117.865%0.64974%0.741SS**PPolyproline II helixtrans-49.4130.2-176.600000108.1P1538 E1542P1538-G1540 PolarHBondContact O-N 3.37Å; G1540-E1542 PolarHBondContact O-N 3.31Å
1541P55.4Low50.5Low126 Ų126111.3 Ų111.382%0.81874%0.735SS**PPolyproline II helixtrans-51.3132.5-172.122.2-33.8000108.4G1543P1541-G1543 PolarHBondContact O-N 2.78Å
1542E50.7Low50.8Low193 Ų193110.5 Ų110.590%0.90272%0.716SS**  trans-49.4110.4-174.9-71.3-170.7146.800108.6G1540 F1544G1540-E1542 PolarHBondContact O-N 3.31Å; E1542-F1544 PolarHBondContact O-N 2.94Å; E1542-F1544 VanDerWaalsContact O-N 3.09Å
1543G47.8Very low51.2Low70 Ų70110.6 Ų110.672%0.72271%0.714SS**  trans-56.4122.4-174.500000107.7P1541 S1545P1541-G1543 PolarHBondContact O-N 2.78Å; G1543-S1545 PolarHBondContact O-N 3.36Å
1544F49.7Very low51Low207 Ų207107.5 Ų107.591%0.90870%0.695SS**  trans-35.7116.2-168.4-72.6-79.9000110.6E1542 G1546E1542-F1544 PolarHBondContact O-N 2.94Å; E1542-F1544 VanDerWaalsContact O-N 3.09Å; F1544-G1546 PolarHBondContact O-N 3.29Å
1545S49.9Very low52.5Low117 Ų117107.8 Ų107.882%0.81868%0.684SS**  trans-48.1110.2-176.256.70000108.6G1543G1543-S1545 PolarHBondContact O-N 3.36Å
1546G48.4Very low54.6Low50 Ų50104.3 Ų104.352%0.51566%0.66SS.*  trans-53.2144.4-167.700000110.7F1544 P1548F1544-G1546 PolarHBondContact O-N 3.29Å; G1546-P1548 WeakPolarHBondContact O-CA 3.48Å; G1546-P1548 VanDerWaalsContact O-N 3.1Å
1547P53.5Low56.6Low97 Ų97101.9 Ų101.963%0.6364%0.642SS**SBendtrans-47.9125.1-178.721.6-33.6000108.3G1549P1547-G1549 WeakPolarHBondContact O-CA 3.48Å; P1547-G1549 PolarHBondContact O-N 3.48Å
1548P44.5Very low58.6Low126 Ų12699.5 Ų99.582%0.81862%0.616SS**SBendtrans-49.7108.4-148.615.7-32000110.1G1546 Q1550G1546-P1548 WeakPolarHBondContact O-CA 3.48Å; G1546-P1548 VanDerWaalsContact O-N 3.1Å; P1548-Q1550 PolarHBondContact O-N 3.43Å
1549G45.2Very low60.7Low66 Ų6693.8 Ų93.868%0.6858%0.579SS**  trans-50.5110.2-156.700000110.9P1547 A1551P1547-G1549 WeakPolarHBondContact O-CA 3.48Å; P1547-G1549 PolarHBondContact O-N 3.48Å; G1549-A1551 PolarHBondContact O-N 3.15Å
1550Q49.9Very low62.6Low150 Ų15090.1 Ų90.170%0.70155%0.55SS**  trans-64.494.6162.6-69.9-166.81100105P1548 L1552P1548-Q1550 PolarHBondContact O-N 3.43Å; Q1550-L1552 HydrophobicContact CB-CD2 4.37Å; Q1550-L1552 HydrophobicContact CB-CG 4.16Å; Q1550-L1552 WeakPolarHBondContact O-CG 3.49Å; Q1550-L1552 PolarHBondContact O-N 3Å
1551A46.6Very low64.8Low85 Ų8587.8 Ų87.870%0.70252%0.522SS*.  trans-6971.4170.100000107.1G1549 Q1553G1549-A1551 PolarHBondContact O-N 3.15Å; A1551-Q1553 WeakPolarHBondContact O-CG 3.25Å; A1551-Q1553 PolarHBondContact O-N 2.65Å
1552L53.7Low66.7Low41 Ų4182.2 Ų82.222%0.21549%0.485CS..  trans-54.5112175.2-67.7164.7000105Q1550 S1554 T1555 P1663Q1550-L1552 HydrophobicContact CB-CD2 4.37Å; Q1550-L1552 HydrophobicContact CB-CG 4.16Å; Q1550-L1552 WeakPolarHBondContact O-CG 3.49Å; Q1550-L1552 PolarHBondContact O-N 3Å; L1552-S1554 CarbonylContact O-C 3.16Å; L1552-S1554 WeakPolarHBondContact O-CA 3.31Å; L1552-S1554 PolarHBondContact O-N 3.35Å; L1552-T1555 HydrophobicContact CB-CG2 3.98Å; L1552-T1555 PolarHBondContact O-N 2.91Å; L1552-P1663 HydrophobicContact CD1-CB 3.89Å; L1552-P1663 HydrophobicContact CD2-CB 3.88Å; L1552-P1663 HydrophobicContact CG-CB 4.29Å
1553Q54.6Low68.8Low179 Ų17973.1 Ų73.184%0.83644%0.443SS*.SBendtrans-69.39-159.9-62.6168.5-3700114A1551A1551-Q1553 WeakPolarHBondContact O-CG 3.25Å; A1551-Q1553 PolarHBondContact O-N 2.65Å
1554S58.3Low71Confident37 Ų3771.8 Ų71.826%0.25942%0.419SS..SBendtrans-146.1122.1151.5570000105.9L1552 Y1556 P1663 R1785L1552-S1554 CarbonylContact O-C 3.16Å; L1552-S1554 WeakPolarHBondContact O-CA 3.31Å; L1552-S1554 PolarHBondContact O-N 3.35Å; S1554-Y1556 WeakPolarHBondContact OG-CE2 3.31Å; S1554-P1663 CarbonylContact O-C 3.3Å; S1554-P1663 VanDerWaalsContact O-O 3.11Å; S1554-P1663 PolarHBondContact OG-O 2.87Å; S1554-R1785 VanDerWaalsContact N-NH2 3.11Å; S1554-R1785 PolarHBondContact OG-NH2 3.29Å
1555T79.4Confident73Confident70 Ų7063.6 Ų63.643%0.42939%0.387SS..  trans-100.7142.4168.657.70000110.7L1552 E1661 A1662L1552-T1555 HydrophobicContact CB-CG2 3.98Å; L1552-T1555 PolarHBondContact O-N 2.91Å; T1555-E1661 WeakPolarHBondContact CB-OE1 3.46Å; T1555-E1661 HydrophobicContact CG2-CG 3.87Å; T1555-E1661 VanDerWaalsContact CG2-OE1 3.24Å; T1555-E1661 WeakPolarHBondContact CG2-OE1 3.37Å; T1555-E1661 PolarHBondContact OG1-OE1 3.48Å; T1555-A1662 WeakPolarHBondContact CA-O 3.3Å
1556Y91.7Very high75.1Confident89 Ų8963.5 Ų63.535%0.34938%0.377SS..EExtended strand (participates in β ladder)trans-127125.8-179.4-72.3-89.7000109.5S1554 A1662 Q1665S1554-Y1556 WeakPolarHBondContact OG-CE2 3.31Å; Y1556-A1662 PolarHBondContact N-O 3.2Å; Y1556-A1662 PolarHBondContact O-N 2.75Å; Y1556-Q1665 HydrophobicContact CD1-CB 3.6Å; Y1556-Q1665 HydrophobicContact CD1-CG 4.1Å; Y1556-Q1665 HydrophobicContact CD2-CB 4.35Å; Y1556-Q1665 VanDerWaalsContact CD2-N 3.32Å; Y1556-Q1665 HydrophobicContact CE1-CB 3.73Å; Y1556-Q1665 HydrophobicContact CE1-CG 4.39Å; Y1556-Q1665 HydrophobicContact CE2-CB 4.45Å; Y1556-Q1665 HydrophobicContact CG-CB 3.91Å
1557L94.4Very high77.2Confident83 Ų8363.6 Ų63.644%0.43537%0.368SS..EExtended strand (participates in β ladder)trans-86136.9172.5-61.6-178.7000110.4I1578 V1659 C1660 E1661L1557-I1578 HydrophobicContact CD2-CG1 4.01Å; L1557-V1659 HydrophobicContact CD2-CG1 4.45Å; L1557-C1660 WeakPolarHBondContact CA-O 3.02Å; L1557-E1661 HydrophobicContact CD2-CB 4.01Å; L1557-E1661 HydrophobicContact CD2-CG 4.31Å
1558F95.6Very high79.1Confident3 Ų365.7 Ų65.71%0.01337%0.369CS..EExtended strand (participates in β ladder)trans-141.1155.2168.972.3-80.6000110.4P1572 G1599 C1660 A1662 P1666 L1688 W1689F1558-P1572 HydrophobicContact CE2-CG 4.17Å; F1558-P1572 HydrophobicContact CZ-CG 4.06Å; F1558-G1599 CarbonylContact C-O 3.55Å; F1558-G1599 WeakPolarHBondContact CA-O 3.17Å; F1558-C1660 HydrophobicContact CD1-CB 3.92Å; F1558-C1660 WeakPolarHBondContact CD1-O 3.49Å; F1558-C1660 HydrophobicContact CD2-CB 4.47Å; F1558-C1660 HydrophobicContact CE1-CB 3.32Å; F1558-C1660 HydrophobicContact CE2-CB 3.94Å; F1558-C1660 HydrophobicContact CG-CB 4.47Å; F1558-C1660 HydrophobicContact CZ-CB 3.35Å; F1558-C1660 PolarHBondContact N-O 2.87Å; F1558-C1660 PolarHBondContact O-N 3Å; F1558-A1662 HydrophobicContact CD1-CB 3.99Å; F1558-A1662 HydrophobicContact CE1-CB 3.8Å; F1558-P1666 HydrophobicContact CB-CG 4.17Å; F1558-P1666 HydrophobicContact CD1-CG 3.63Å; F1558-P1666 HydrophobicContact CD2-CG 4.33Å; F1558-P1666 HydrophobicContact CE1-CG 4.04Å; F1558-P1666 HydrophobicContact CG-CG 3.77Å; F1558-L1688 HydrophobicContact CE2-CD1 4.24Å; F1558-L1688 HydrophobicContact CZ-CD1 4.09Å; F1558-W1689 HydrophobicContact CD2-CH2 4.07Å; F1558-W1689 HydrophobicContact CD2-CZ3 4.19Å; F1558-W1689 HydrophobicContact CE2-CH2 4.07Å; F1558-W1689 AromaticContact CE2-CZ3 3.74Å; F1558-W1689 HydrophobicContact CE2-CZ3 3.74Å
1559T97.3Very high81.4Confident1 Ų160.5 Ų60.51%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-101.6146.9172.2-59.10000110.9H1561 L1598 G1599 S1600 H1601 C1604 C1657 V1658T1559-H1561 WeakPolarHBondContact CG2-NE2 3.28Å; T1559-L1598 WeakPolarHBondContact CB-O 3.33Å; T1559-G1599 PolarHBondContact N-O 2.85Å; T1559-S1600 WeakPolarHBondContact CB-O 3.39Å; T1559-S1600 PolarHBondContact OG1-O 3.34Å; T1559-H1601 VanDerWaalsContact OG1-CA 3.27Å; T1559-H1601 WeakPolarHBondContact OG1-CA 3.13Å; T1559-H1601 PolarHBondContact OG1-N 3.31Å; T1559-C1604 HydrophobicContact CG2-CB 3.92Å; T1559-C1657 HydrophobicContact CG2-CB 3.94Å; T1559-V1658 WeakPolarHBondContact CA-O 3.01Å
1560R96.9Very high83.8Confident40 Ų4060.9 Ų60.915%0.15133%0.325CS..EExtended strand (participates in β ladder)trans-122.2136.2163.5-177.9-178.7177.8-156.60.7109.2F1562 V1570 C1657 V1658 W1689 E1716R1560-F1562 HydrophobicContact CB-CE2 4.38Å; R1560-F1562 HydrophobicContact CG-CE2 4.01Å; R1560-F1562 HydrophobicContact CG-CZ 4.17Å; R1560-V1570 PolarHBondContact NH1-O 2.85Å; R1560-C1657 CarbonylContact O-C 3.42Å; R1560-C1657 VanDerWaalsContact O-CA 3.27Å; R1560-C1657 WeakPolarHBondContact O-CA 3.3Å; R1560-V1658 HydrophobicContact CB-CG1 4.08Å; R1560-V1658 PolarHBondContact N-O 3.05Å; R1560-V1658 PolarHBondContact O-N 3.37Å; R1560-W1689 HydrophobicContact CB-CH2 4.01Å; R1560-W1689 HydrophobicContact CB-CZ3 4.13Å; R1560-W1689 HydrophobicContact CG-CD2 4.42Å; R1560-W1689 HydrophobicContact CG-CE3 4.19Å; R1560-W1689 HydrophobicContact CG-CH2 4.12Å; R1560-W1689 HydrophobicContact CG-CZ2 4.33Å; R1560-W1689 HydrophobicContact CG-CZ3 4.08Å; R1560-E1716 IonicContact CZ-OE1 2.63Å; R1560-E1716 VanDerWaalsContact CZ-OE1 3.25Å; R1560-E1716 IonicContact CZ-OE2 3.79Å; R1560-E1716 IonicContact NE-OE1 2.97Å; R1560-E1716 PolarHBondContact NE-OE1 3.31Å; R1560-E1716 IonicContact NE-OE2 2.67Å; R1560-E1716 VanDerWaalsContact NH2-CD 3.25Å; R1560-E1716 IonicContact NH2-OE1 2.92Å; R1560-E1716 PolarHBondContact NH2-OE1 2.89Å; R1560-E1716 IonicContact NH2-OE2 3.19Å; R1560-E1716 PolarHBondContact NH2-OE2 3.32Å
1561H96.9Very high86Confident13 Ų1354.6 Ų54.66%0.0630%0.297CS..EExtended strand (participates in β ladder)trans-111.5132.7-175.8-71.2-83000111.7T1559 S1583 L1598 S1603 L1634 C1657T1559-H1561 WeakPolarHBondContact CG2-NE2 3.28Å; H1561-S1583 WeakPolarHBondContact ND1-CB 3.19Å; H1561-S1583 PolarHBondContact ND1-OG 2.83Å; H1561-L1598 PolarHBondContact CD2-O 3.42Å; H1561-L1598 PolarHBondContact NE2-O 2.89Å; H1561-S1603 PolarHBondContact CE1-OG 3.15Å; H1561-S1603 VanDerWaalsContact CE1-OG 3.25Å; H1561-S1603 PolarHBondContact NE2-OG 3.34Å; H1561-L1634 HydrophobicContact CB-CD2 3.79Å; H1561-C1657 WeakPolarHBondContact ND1-CB 3.25Å
1562F95.9Very high88.2Confident10 Ų1050.7 Ų50.74%0.04426%0.264CS..EExtended strand (participates in β ladder)trans-110.799.3-175.4-68.3-92.1000110.1R1560 N1564 T1567 P1569 V1570 A1655 R1656 V1658R1560-F1562 HydrophobicContact CB-CE2 4.38Å; R1560-F1562 HydrophobicContact CG-CE2 4.01Å; R1560-F1562 HydrophobicContact CG-CZ 4.17Å; F1562-N1564 VanDerWaalsContact C-N 3.35Å; F1562-T1567 HydrophobicContact CD1-CG2 3.54Å; F1562-T1567 HydrophobicContact CE1-CG2 3.77Å; F1562-P1569 HydrophobicContact CD2-CB 4.11Å; F1562-P1569 HydrophobicContact CE2-CB 4.18Å; F1562-V1570 WeakPolarHBondContact CZ-O 3.46Å; F1562-A1655 WeakPolarHBondContact O-CA 3.26Å; F1562-A1655 VanDerWaalsContact O-CB 3.32Å; F1562-A1655 WeakPolarHBondContact O-CB 3.45Å; F1562-R1656 HydrophobicContact CB-CB 4.48Å; F1562-R1656 PolarHBondContact N-O 3.22Å; F1562-R1656 PolarHBondContact O-N 3.38Å; F1562-V1658 HydrophobicContact CE2-CB 4.42Å; F1562-V1658 HydrophobicContact CE2-CG1 3.72Å; F1562-V1658 HydrophobicContact CZ-CG1 4.49Å
1563Q94.3Very high89.8Confident1 Ų154.9 Ų54.91%0.00529%0.294CS..  trans-79-16.3178.4-61.6162.5-9000112.9L1634 T1636 T1637 Y1717Q1563-L1634 HydrophobicContact CG-CD2 3.88Å; Q1563-L1634 HydrophobicContact CG-CG 4.49Å; Q1563-T1636 CarbonylContact O-C 3.48Å; Q1563-T1636 WeakPolarHBondContact O-CA 3.07Å; Q1563-T1636 WeakPolarHBondContact O-CB 3.38Å; Q1563-T1637 HydrophobicContact CB-CG2 4.12Å; Q1563-T1637 PolarHBondContact O-N 3.05Å; Q1563-T1637 PolarHBondContact O-OG1 2.69Å; Q1563-Y1717 HydrophobicContact CB-CD2 4.14Å; Q1563-Y1717 PolarHBondContact NE2-O 3.37Å; Q1563-Y1717 VanDerWaalsContact OE1-N 3.16Å; Q1563-Y1717 PolarHBondContact OE1-O 2.69Å
1564N94.1Very high91.2Very high43 Ų4349.5 Ų49.523%0.2329%0.286CS..SBendtrans-84119167.7-179.1-0.7000108.7F1562 D1566 T1567 Y1717F1562-N1564 VanDerWaalsContact C-N 3.35Å; N1564-D1566 PolarHBondContact O-N 2.92Å; N1564-D1566 PolarHBondContact OD1-N 3.1Å; N1564-T1567 PolarHBondContact ND2-OG1 2.95Å; N1564-T1567 VanDerWaalsContact ND2-OG1 3.15Å; N1564-T1567 PolarHBondContact O-N 3.2Å; N1564-Y1717 HydrophobicContact CB-CE2 4.26Å
1565P91.6Very high92.7Very high35 Ų3548.9 Ų48.923%0.22728%0.282CS..THydrogen-bonded Turntrans-66.5-21.3-179.627.8-35000113.3T1636 E1638 R1652P1565-T1636 HydrophobicContact CB-CG2 4.15Å; P1565-T1636 HydrophobicContact CG-CG2 4.44Å; P1565-E1638 HydrophobicContact CG-CG 4.16Å; P1565-R1652 HydrophobicContact CB-CG 3.76Å; P1565-R1652 HydrophobicContact CG-CG 4.07Å
1566D93.3Very high93.3Very high114 Ų11450.5 Ų50.561%0.6129%0.285SS*.THydrogen-bonded Turntrans-92.60.4-176.1-56.3-32.3000112.6N1564 R1652N1564-D1566 PolarHBondContact O-N 2.92Å; N1564-D1566 PolarHBondContact OD1-N 3.1Å; D1566-R1652 IonicContact OD1-CZ 3.15Å; D1566-R1652 IonicContact OD1-NE 2.77Å; D1566-R1652 IonicContact OD1-NH2 2.68Å; D1566-R1652 PolarHBondContact OD1-NH2 2.84Å; D1566-R1652 IonicContact OD2-NH2 2.68Å; D1566-R1652 PolarHBondContact OD2-NH2 3.13Å
1567T92.9Very high93.4Very high53 Ų5350.3 Ų50.333%0.32529%0.286SS..SBendtrans-94.5127.1174.9-58.60000111.3F1562 N1564F1562-T1567 HydrophobicContact CD1-CG2 3.54Å; F1562-T1567 HydrophobicContact CE1-CG2 3.77Å; N1564-T1567 PolarHBondContact ND2-OG1 2.95Å; N1564-T1567 VanDerWaalsContact ND2-OG1 3.15Å; N1564-T1567 PolarHBondContact O-N 3.2Å
1568E92.9Very high93.4Very high141 Ų14150.6 Ų50.666%0.65929%0.287SS*.  trans-66.3136.5177.6-167.7-176.6168.700112.7V1570E1568-V1570 HydrophobicContact CB-CG2 4.04Å; E1568-V1570 HydrophobicContact CG-CG2 3.94Å; E1568-V1570 PolarHBondContact O-N 2.84Å
1569P93.8Very high93.4Very high16 Ų1652.7 Ų52.710%0.10430%0.302CS..  trans-71.584.5177.5-19.534.3000113.6F1562 K1577 D1580 R1656 V1658F1562-P1569 HydrophobicContact CD2-CB 4.11Å; F1562-P1569 HydrophobicContact CE2-CB 4.18Å; P1569-K1577 PolarHBondContact O-NZ 3.29Å; P1569-D1580 HydrophobicContact CB-CB 4.04Å; P1569-R1656 HydrophobicContact CG-CB 3.6Å; P1569-R1656 HydrophobicContact CG-CG 4.18Å; P1569-V1658 HydrophobicContact CB-CB 4.02Å
1570V95.7Very high93.3Very high75 Ų7555.2 Ų55.246%0.45532%0.315SS..  trans-111.9134.5-176.2-177.40000112.1R1560 F1562 E1568R1560-V1570 PolarHBondContact NH1-O 2.85Å; F1562-V1570 WeakPolarHBondContact CZ-O 3.46Å; E1568-V1570 HydrophobicContact CB-CG2 4.04Å; E1568-V1570 HydrophobicContact CG-CG2 3.94Å; E1568-V1570 PolarHBondContact O-N 2.84Å
1571C95.6Very high93.3Very high18 Ų1853.3 Ų53.312%0.12231%0.308CS..PPolyproline II helixtrans-69.8142.6177.8-75.90000112.9K1577 C1660C1571-K1577 WeakPolarHBondContact SG-CA 3.35Å; C1571-C1660 WeakPolarHBondContact CA-SG 3.16Å; C1571-C1660 HydrophobicContact CB-CB 3.96Å; C1571-C1660 WeakPolarHBondContact CB-SG 3.34Å; C1571-C1660 VanDerWaalsContact SG-CA 3.54Å; C1571-C1660 WeakPolarHBondContact SG-CB 3.18Å; C1571-C1660 CovalentContact SG-SG 2.03Å; C1571-C1660 PolarHBondContact SG-SG 2.85Å
1572P92.3Very high93.3Very high3 Ų354.2 Ų54.22%0.01931%0.311CS..PPolyproline II helixtrans-54.7147.9173.1-27.535.1000113.8F1558 G1574 S1575 L1688 W1689F1558-P1572 HydrophobicContact CE2-CG 4.17Å; F1558-P1572 HydrophobicContact CZ-CG 4.06Å; P1572-G1574 PolarHBondContact O-N 3.29Å; P1572-S1575 PolarHBondContact O-N 2.82Å; P1572-S1575 PolarHBondContact O-OG 2.89Å; P1572-L1688 HydrophobicContact CB-CB 4.12Å; P1572-L1688 HydrophobicContact CB-CD2 3.88Å; P1572-L1688 HydrophobicContact CB-CG 4.41Å; P1572-L1688 HydrophobicContact CG-CB 4.15Å; P1572-W1689 HydrophobicContact CG-CE3 4.18Å; P1572-W1689 HydrophobicContact CG-CZ3 4.15Å
1573P87.9Confident93.4Very high128 Ų12853.8 Ų53.883%0.83131%0.309SS*.THydrogen-bonded Turntrans-52.9136.5175.3-26.735.1000112.7
1574G83.9Confident93.4Very high66 Ų6654.3 Ų54.368%0.6831%0.312SS*.THydrogen-bonded Turntrans82.49-173.800000114.7P1572 P1663P1572-G1574 PolarHBondContact O-N 3.29Å; G1574-P1663 WeakPolarHBondContact O-CD 3.24Å
1575S90.8Very high93.5Very high25 Ų2552.3 Ų52.318%0.17530%0.301CS..  trans-131.1154.7168.567.60000111.5P1572 E1661P1572-S1575 PolarHBondContact O-N 2.82Å; P1572-S1575 PolarHBondContact O-OG 2.89Å; S1575-E1661 CarbonylContact C-O 3.52Å; S1575-E1661 WeakPolarHBondContact CA-O 3.35Å; S1575-E1661 VanDerWaalsContact CB-O 3.25Å; S1575-E1661 WeakPolarHBondContact CB-O 3.19Å
1576Q90.9Very high93.5Very high103 Ų10350.6 Ų50.648%0.48129%0.29SS..EExtended strand (participates in β ladder)trans-110.5137.6-176.3-179.2168.8-16.500111.4I1578 C1660 E1661Q1576-I1578 PolarHBondContact O-N 3.1Å; Q1576-C1660 CarbonylContact O-C 3.53Å; Q1576-C1660 VanDerWaalsContact O-CA 3.3Å; Q1576-C1660 WeakPolarHBondContact O-CA 3.49Å; Q1576-E1661 PolarHBondContact N-O 3.15Å; Q1576-E1661 PolarHBondContact O-N 2.69Å
1577K95Very high93.4Very high85 Ų8545.6 Ų45.637%0.3727%0.265SS..EExtended strand (participates in β ladder)trans-70.8126.7176.6179.3168.2175.4170.40111.2P1569 C1571 D1580 V1658P1569-K1577 PolarHBondContact O-NZ 3.29Å; C1571-K1577 WeakPolarHBondContact SG-CA 3.35Å; K1577-D1580 WeakPolarHBondContact CE-OD1 3.17Å; K1577-D1580 IonicContact NZ-OD1 3.13Å; K1577-D1580 PolarHBondContact NZ-OD1 2.84Å; K1577-V1658 HydrophobicContact CB-CG2 4.45Å; K1577-V1658 HydrophobicContact CD-CG2 3.78Å; K1577-V1658 HydrophobicContact CG-CG2 3.73Å
1578I94.6Very high93.1Very high89 Ų8944.4 Ų44.446%0.45626%0.256SS..EExtended strand (participates in β ladder)trans-98.9-47.7173.5-61.1-59.4000110.3L1557 Q1576 V1659 E1661L1557-I1578 HydrophobicContact CD2-CG1 4.01Å; Q1576-I1578 PolarHBondContact O-N 3.1Å; I1578-V1659 HydrophobicContact CB-CG1 4.44Å; I1578-V1659 PolarHBondContact N-O 3.45Å; I1578-E1661 HydrophobicContact CD1-CB 3.93Å; I1578-E1661 HydrophobicContact CG1-CB 3.92Å
1579S95Very high92.6Very high47 Ų4738.4 Ų38.433%0.32923%0.232SC..EExtended strand (participates in β ladder)trans-157.3165.5178.9580000111.1V1658 V1659S1579-V1658 WeakPolarHBondContact O-CA 3.49Å; S1579-V1658 VanDerWaalsContact O-CG2 3.28Å; S1579-V1658 WeakPolarHBondContact O-CG2 3.19Å; S1579-V1659 PolarHBondContact O-N 2.76Å
1580D96.1Very high91.8Very high54 Ų5442 Ų4229%0.28925%0.25SS..EExtended strand (participates in β ladder)trans-132165.6163.469.3-89.2000111P1569 K1577 R1656 C1657 V1658P1569-D1580 HydrophobicContact CB-CB 4.04Å; K1577-D1580 WeakPolarHBondContact CE-OD1 3.17Å; K1577-D1580 IonicContact NZ-OD1 3.13Å; K1577-D1580 PolarHBondContact NZ-OD1 2.84Å; D1580-R1656 IonicContact OD2-CZ 2.81Å; D1580-R1656 IonicContact OD2-NH2 3.73Å; D1580-R1656 PolarHBondContact OD2-NH2 2.87Å; D1580-C1657 CarbonylContact C-O 3.52Å; D1580-C1657 VanDerWaalsContact CA-O 3.23Å; D1580-C1657 WeakPolarHBondContact CA-O 3.34Å; D1580-C1657 WeakPolarHBondContact CB-O 3.34Å; D1580-V1658 HydrophobicContact CB-CB 4.41Å; D1580-V1658 HydrophobicContact CB-CG2 4.32Å
1581G96.3Very high90.8Very high0 Ų041 Ų410%026%0.256CS..EExtended strand (participates in β ladder)trans-178-149.6-172.300000113L1605 R1656 C1657G1581-L1605 CarbonylContact C-O 2.9Å; G1581-L1605 WeakPolarHBondContact CA-O 3.02Å; G1581-R1656 CarbonylContact O-C 3.52Å; G1581-R1656 WeakPolarHBondContact O-CA 3.24Å; G1581-R1656 WeakPolarHBondContact O-CD 3.28Å; G1581-R1656 PolarHBondContact O-NE 2.89Å; G1581-C1657 PolarHBondContact N-O 2.7Å; G1581-C1657 PolarHBondContact O-N 3.09Å; G1581-C1657 PolarHBondContact O-SG 3.32Å
1582Y96.7Very high90Very high33 Ų3347.7 Ų47.713%0.12929%0.285CS..EExtended strand (participates in β ladder)trans-116.3145.2-176.5-55.2-96.3000111.2F1584 L1605 F1608 H1651 V1654 R1656 C1657Y1582-F1584 PolarHBondContact O-N 3.46Å; Y1582-L1605 PolarHBondContact N-O 3.21Å; Y1582-L1605 PolarHBondContact O-N 2.93Å; Y1582-L1605 VanDerWaalsContact O-N 3.08Å; Y1582-F1608 HydrophobicContact CD1-CB 3.82Å; Y1582-F1608 HydrophobicContact CD2-CB 3.69Å; Y1582-F1608 HydrophobicContact CE1-CB 3.88Å; Y1582-F1608 HydrophobicContact CE2-CB 3.77Å; Y1582-F1608 VanDerWaalsContact CE2-N 3.3Å; Y1582-F1608 HydrophobicContact CG-CB 3.69Å; Y1582-H1651 AromaticContact CE1-CD2 3.78Å; Y1582-H1651 AromaticContact CE1-NE2 3.76Å; Y1582-H1651 AromaticContact CZ-NE2 3.9Å; Y1582-H1651 PolarHBondContact OH-CD2 2.94Å; Y1582-H1651 VanDerWaalsContact OH-CD2 3.31Å; Y1582-H1651 PolarHBondContact OH-NE2 2.87Å; Y1582-H1651 VanDerWaalsContact OH-NE2 3.16Å; Y1582-V1654 HydrophobicContact CD1-CG1 3.95Å; Y1582-V1654 HydrophobicContact CG-CG1 4.41Å; Y1582-R1656 VanDerWaalsContact CE2-NH1 3.35Å; Y1582-R1656 PolarHBondContact OH-NH1 3.38Å; Y1582-C1657 PolarHBondContact N-SG 2.83Å; Y1582-C1657 VanDerWaalsContact N-SG 3.41Å; Y1582-C1657 PolarHBondContact O-SG 2.75Å; Y1582-C1657 VanDerWaalsContact O-SG 3.4Å
1583S97.2Very high89.7Confident0 Ų049.9 Ų49.90%030%0.296CS..EExtended strand (participates in β ladder)trans-8294.3-169.5-560000112.3H1561 W1633 L1634 A1655 R1656H1561-S1583 WeakPolarHBondContact ND1-CB 3.19Å; H1561-S1583 PolarHBondContact ND1-OG 2.83Å; S1583-W1633 CarbonylContact O-C 3.58Å; S1583-W1633 VanDerWaalsContact O-CA 3.26Å; S1583-W1633 WeakPolarHBondContact O-CA 3.43Å; S1583-L1634 VanDerWaalsContact CB-CB 3.48Å; S1583-L1634 PolarHBondContact O-N 2.87Å; S1583-A1655 WeakPolarHBondContact CB-O 3.33Å; S1583-A1655 PolarHBondContact N-O 3.36Å; S1583-A1655 VanDerWaalsContact OG-C 3.28Å; S1583-A1655 PolarHBondContact OG-O 3.38Å; S1583-R1656 PolarHBondContact OG-O 2.98Å; S1583-R1656 VanDerWaalsContact OG-O 3.12Å
1584F96Very high89.8Confident12 Ų1247.8 Ų47.85%0.05328%0.281CS..EExtended strand (participates in β ladder)trans-88129.8177.6177.6-108.8000111.1Y1582 M1586 A1587 M1596 S1603 L1605 P1612 W1633Y1582-F1584 PolarHBondContact O-N 3.46Å; F1584-M1586 VanDerWaalsContact CE2-O 3.29Å; F1584-M1586 WeakPolarHBondContact CE2-O 3.17Å; F1584-A1587 HydrophobicContact CE2-CB 4.35Å; F1584-A1587 HydrophobicContact CZ-CB 3.8Å; F1584-M1596 HydrophobicContact CD1-CE 4.39Å; F1584-M1596 HydrophobicContact CD1-CG 3.83Å; F1584-M1596 HydrophobicContact CE1-CE 4.12Å; F1584-M1596 HydrophobicContact CE1-CG 3.9Å; F1584-S1603 PolarHBondContact N-O 3.43Å; F1584-S1603 WeakPolarHBondContact O-CA 3.31Å; F1584-S1603 WeakPolarHBondContact O-CB 3.48Å; F1584-L1605 HydrophobicContact CB-CD1 3.66Å; F1584-L1605 HydrophobicContact CB-CG 3.77Å; F1584-L1605 HydrophobicContact CD1-CD1 4Å; F1584-L1605 HydrophobicContact CD1-CG 4.42Å; F1584-L1605 HydrophobicContact CD2-CD1 4.02Å; F1584-L1605 HydrophobicContact CG-CD1 3.61Å; F1584-L1605 HydrophobicContact CG-CG 4.17Å; F1584-P1612 HydrophobicContact CD2-CG 4.31Å; F1584-P1612 HydrophobicContact CE2-CG 3.99Å; F1584-W1633 HydrophobicContact CB-CE3 4.04Å; F1584-W1633 HydrophobicContact CB-CH2 4.28Å; F1584-W1633 HydrophobicContact CB-CZ3 3.8Å; F1584-W1633 HydrophobicContact CD2-CD2 4.42Å; F1584-W1633 HydrophobicContact CD2-CH2 4.24Å; F1584-W1633 HydrophobicContact CD2-CZ2 4.11Å; F1584-W1633 HydrophobicContact CD2-CZ3 4.41Å
1585V94.9Very high90.2Very high1 Ų147.2 Ų47.21%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-108.5-50.8-173.9-1730000111.4M1596 L1598 Y1632 L1634 H1697 L1723V1585-M1596 PolarHBondContact O-N 2.82Å; V1585-L1598 HydrophobicContact CG2-CD2 4.25Å; V1585-Y1632 PolarHBondContact N-O 2.93Å; V1585-L1634 HydrophobicContact CG2-CB 3.89Å; V1585-L1634 HydrophobicContact CG2-CD1 4.4Å; V1585-L1634 VanDerWaalsContact CG2-N 3.28Å; V1585-H1697 WeakPolarHBondContact CG1-CE1 3.26Å; V1585-L1723 HydrophobicContact CB-CD2 4.33Å; V1585-L1723 HydrophobicContact CG1-CD2 3.9Å
1586M91.9Very high90.3Very high0 Ų048.1 Ų48.10%027%0.266CS..EExtended strand (participates in β ladder)trans-161.3158.9-173.554.9-175-74.400112.2F1584 L1593 V1594 T1595 Y1632 H1697 V1699 L1723F1584-M1586 VanDerWaalsContact CE2-O 3.29Å; F1584-M1586 WeakPolarHBondContact CE2-O 3.17Å; M1586-L1593 HydrophobicContact CE-CD1 3.63Å; M1586-L1593 HydrophobicContact CE-CD2 3.85Å; M1586-L1593 HydrophobicContact CE-CG 4.05Å; M1586-V1594 CarbonylContact C-O 3.58Å; M1586-V1594 WeakPolarHBondContact CA-O 3.47Å; M1586-V1594 VanDerWaalsContact CB-O 3.26Å; M1586-V1594 WeakPolarHBondContact CB-O 3.29Å; M1586-T1595 HydrophobicContact CB-CG2 3.84Å; M1586-Y1632 HydrophobicContact CE-CD2 4.03Å; M1586-Y1632 HydrophobicContact CE-CE2 4.09Å; M1586-Y1632 HydrophobicContact CE-CG 4.49Å; M1586-Y1632 VanDerWaalsContact CG-CB 3.4Å; M1586-Y1632 HydrophobicContact CG-CD2 3.61Å; M1586-Y1632 HydrophobicContact CG-CG 3.66Å; M1586-Y1632 PolarHBondContact N-O 2.87Å; M1586-Y1632 PolarHBondContact O-N 3.02Å; M1586-Y1632 HydrophobicContact SD-CD2 4.27Å; M1586-Y1632 HydrophobicContact SD-CG 4.23Å; M1586-H1697 PolarHBondContact SD-CD2 3.29Å; M1586-H1697 PolarHBondContact SD-NE2 2.66Å; M1586-V1699 HydrophobicContact CE-CG2 4.08Å; M1586-V1699 HydrophobicContact SD-CG2 4.32Å; M1586-L1723 HydrophobicContact SD-CD2 4.02Å
1587A90.3Very high90.6Very high9 Ų944.9 Ų44.97%0.07425%0.252CS..EExtended strand (participates in β ladder)trans-129.5147.417300000110.2F1584 L1593 V1594 F1613 R1630F1584-A1587 HydrophobicContact CE2-CB 4.35Å; F1584-A1587 HydrophobicContact CZ-CB 3.8Å; A1587-L1593 WeakPolarHBondContact O-CA 3.37Å; A1587-V1594 PolarHBondContact N-O 3.43Å; A1587-V1594 PolarHBondContact O-N 2.82Å; A1587-F1613 HydrophobicContact CB-CD1 3.82Å; A1587-F1613 HydrophobicContact CB-CE1 3.29Å; A1587-F1613 HydrophobicContact CB-CZ 3.86Å; A1587-R1630 WeakPolarHBondContact CA-O 3.36Å
1588N87.1Confident90.6Very high28 Ų2840.9 Ų40.915%0.1524%0.235CC..EExtended strand (participates in β ladder)trans-122.8117167.9-169.9-30.4000108.5G1591 E1592 L1593 D1629 R1630 Y1632N1588-G1591 WeakPolarHBondContact OD1-CA 3.31Å; N1588-G1591 PolarHBondContact OD1-N 2.95Å; N1588-E1592 WeakPolarHBondContact CA-O 3.47Å; N1588-L1593 HydrophobicContact CB-CD1 3.77Å; N1588-D1629 WeakPolarHBondContact O-CA 3.36Å; N1588-R1630 HydrophobicContact CB-CB 4.37Å; N1588-R1630 PolarHBondContact N-O 3.05Å; N1588-R1630 PolarHBondContact O-N 2.79Å; N1588-Y1632 HydrophobicContact CB-CE2 4.47Å
1589G82.1Confident90.7Very high14 Ų1437 Ų3714%0.14422%0.216CC..EExtended strand (participates in β ladder)trans-131.3125.6177.100000110.5G1591 E1592 Q1615 D1629G1589-G1591 PolarHBondContact O-N 2.83Å; G1589-E1592 PolarHBondContact N-O 3.47Å; G1589-E1592 PolarHBondContact O-N 3.49Å; G1589-Q1615 VanDerWaalsContact CA-NE2 3.29Å; G1589-D1629 WeakPolarHBondContact CA-OD1 3.27Å
1590N77.2Confident90.7Very high92 Ų9236.4 Ų36.449%0.49221%0.212SC..THydrogen-bonded Turntrans53.615.5-171.4-69-37.1000116.1E1592 Q1615 R1627 D1629N1590-E1592 VanDerWaalsContact C-N 3.34Å; N1590-Q1615 PolarHBondContact ND2-OE1 3.41Å; N1590-Q1615 PolarHBondContact OD1-OE1 2.84Å; N1590-R1627 WeakPolarHBondContact OD1-CD 3.21Å; N1590-R1627 PolarHBondContact OD1-NH1 2.85Å; N1590-D1629 PolarHBondContact N-OD1 3.1Å
1591G74.8Confident90.7Very high55 Ų5538.9 Ų38.957%0.56722%0.222SC*.THydrogen-bonded Turntrans88.6-6-172.300000114.4N1588 G1589N1588-G1591 WeakPolarHBondContact OD1-CA 3.31Å; N1588-G1591 PolarHBondContact OD1-N 2.95Å; G1589-G1591 PolarHBondContact O-N 2.83Å
1592E79.5Confident90.6Very high158 Ų15840.6 Ų40.674%0.73823%0.234SC*.EExtended strand (participates in β ladder)trans-78.8132.9165.2-68.2-164.7146.700109.8N1588 G1589 N1590N1588-E1592 WeakPolarHBondContact CA-O 3.47Å; G1589-E1592 PolarHBondContact N-O 3.47Å; G1589-E1592 PolarHBondContact O-N 3.49Å; N1590-E1592 VanDerWaalsContact C-N 3.34Å
1593L85.5Confident90.6Very high49 Ų4939 Ų3926%0.25723%0.228SC..EExtended strand (participates in β ladder)trans-107.8123.2-176.6-157.282.6000110.9M1586 A1587 N1588 T1595 G1703M1586-L1593 HydrophobicContact CE-CD1 3.63Å; M1586-L1593 HydrophobicContact CE-CD2 3.85Å; M1586-L1593 HydrophobicContact CE-CG 4.05Å; A1587-L1593 WeakPolarHBondContact O-CA 3.37Å; N1588-L1593 HydrophobicContact CB-CD1 3.77Å; L1593-T1595 HydrophobicContact CD2-CG2 3.65Å; L1593-T1595 HydrophobicContact CG-CG2 4.01Å; L1593-G1703 VanDerWaalsContact CD2-N 3.34Å; L1593-G1703 VanDerWaalsContact CD2-O 3.3Å; L1593-G1703 WeakPolarHBondContact CD2-O 3.14Å
1594V89.8Confident90.6Very high84 Ų8439.7 Ų39.751%0.50923%0.232SC..EExtended strand (participates in β ladder)trans-109.2131.3171.1-179.20000108M1586 A1587M1586-V1594 CarbonylContact C-O 3.58Å; M1586-V1594 WeakPolarHBondContact CA-O 3.47Å; M1586-V1594 VanDerWaalsContact CB-O 3.26Å; M1586-V1594 WeakPolarHBondContact CB-O 3.29Å; A1587-V1594 PolarHBondContact N-O 3.43Å; A1587-V1594 PolarHBondContact O-N 2.82Å
1595T92.4Very high90.6Very high53 Ų5341.8 Ų41.833%0.32524%0.244SC..EExtended strand (participates in β ladder)trans-131145.8-177.871.50000110M1586 L1593M1586-T1595 HydrophobicContact CB-CG2 3.84Å; L1593-T1595 HydrophobicContact CD2-CG2 3.65Å; L1593-T1595 HydrophobicContact CG-CG2 4.01Å
1596M93.6Very high90.6Very high45 Ų4546 Ų4622%0.22227%0.274CS..  trans-111.4141.9-176.3-67.4-64.5-170.400111.6F1584 V1585 S1602 Q1706F1584-M1596 HydrophobicContact CD1-CE 4.39Å; F1584-M1596 HydrophobicContact CD1-CG 3.83Å; F1584-M1596 HydrophobicContact CE1-CE 4.12Å; F1584-M1596 HydrophobicContact CE1-CG 3.9Å; V1585-M1596 PolarHBondContact O-N 2.82Å; M1596-S1602 PolarHBondContact SD-OG 2.77Å; M1596-Q1706 PolarHBondContact O-NE2 2.84Å; M1596-Q1706 VanDerWaalsContact O-NE2 3.09Å
1597D95.7Very high90.6Very high35 Ų3553 Ų5319%0.18731%0.308CS..  trans-77123.8163.3-169.4-58.9000109G1599 S1600 Q1707 S1710D1597-G1599 PolarHBondContact O-N 3.43Å; D1597-G1599 WeakPolarHBondContact OD1-CA 3.49Å; D1597-G1599 PolarHBondContact OD1-N 2.77Å; D1597-S1600 VanDerWaalsContact O-CB 3.23Å; D1597-S1600 WeakPolarHBondContact O-CB 3.35Å; D1597-S1600 PolarHBondContact O-N 2.74Å; D1597-Q1707 PolarHBondContact OD2-N 2.87Å; D1597-Q1707 VanDerWaalsContact OD2-N 3.15Å; D1597-S1710 VanDerWaalsContact OD1-CB 3.3Å; D1597-S1710 WeakPolarHBondContact OD1-CB 3.2Å; D1597-S1710 PolarHBondContact OD1-OG 3.45Å; D1597-S1710 WeakPolarHBondContact OD2-CB 3.27Å; D1597-S1710 PolarHBondContact OD2-OG 3.31Å
1598L97Very high90.6Very high1 Ų155.1 Ų55.11%0.00532%0.316CS..THydrogen-bonded Turntrans-70.9-9.8-176.8-63.9173000113.1T1559 H1561 V1585 L1634 F1694 Q1706 L1715T1559-L1598 WeakPolarHBondContact CB-O 3.33Å; H1561-L1598 PolarHBondContact CD2-O 3.42Å; H1561-L1598 PolarHBondContact NE2-O 2.89Å; V1585-L1598 HydrophobicContact CG2-CD2 4.25Å; L1598-L1634 HydrophobicContact CD1-CD1 4.06Å; L1598-F1694 HydrophobicContact CD1-CD1 4.21Å; L1598-F1694 HydrophobicContact CD1-CE1 3.89Å; L1598-Q1706 VanDerWaalsContact CB-OE1 3.25Å; L1598-L1715 HydrophobicContact CD1-CD2 4.24Å
1599G96.4Very high90.7Very high6 Ų656.1 Ų56.16%0.06232%0.324CS..THydrogen-bonded Turntrans-85.4-14.1167.500000113.1F1558 T1559 D1597 S1710 G1712F1558-G1599 CarbonylContact C-O 3.55Å; F1558-G1599 WeakPolarHBondContact CA-O 3.17Å; T1559-G1599 PolarHBondContact N-O 2.85Å; D1597-G1599 PolarHBondContact O-N 3.43Å; D1597-G1599 WeakPolarHBondContact OD1-CA 3.49Å; D1597-G1599 PolarHBondContact OD1-N 2.77Å; G1599-S1710 WeakPolarHBondContact CA-OG 3.18Å; G1599-G1712 VanDerWaalsContact N-CA 3.28Å
1600S95.2Very high91Very high35 Ų3556.5 Ų56.525%0.24532%0.323CS..SBendtrans-82143.9178.7-178.90000111.8T1559 D1597 S1602 S1603T1559-S1600 WeakPolarHBondContact CB-O 3.39Å; T1559-S1600 PolarHBondContact OG1-O 3.34Å; D1597-S1600 VanDerWaalsContact O-CB 3.23Å; D1597-S1600 WeakPolarHBondContact O-CB 3.35Å; D1597-S1600 PolarHBondContact O-N 2.74Å; S1600-S1602 WeakPolarHBondContact CB-OG 3.16Å; S1600-S1602 PolarHBondContact O-N 3.04Å; S1600-S1602 PolarHBondContact OG-N 3.34Å; S1600-S1602 PolarHBondContact OG-OG 3.13Å; S1600-S1603 PolarHBondContact O-N 3.3Å; S1600-S1603 VanDerWaalsContact O-N 3.08Å; S1600-S1603 PolarHBondContact O-OG 2.82Å
1601H95Very high91.6Very high106 Ų10652.4 Ų52.449%0.49130%0.301SS..G310 helixtrans-52.3-24.7168.764.8-77.2000113.5T1559 S1603 C1604 V1659T1559-H1601 VanDerWaalsContact OG1-CA 3.27Å; T1559-H1601 WeakPolarHBondContact OG1-CA 3.13Å; T1559-H1601 PolarHBondContact OG1-N 3.31Å; H1601-S1603 VanDerWaalsContact C-N 3.3Å; H1601-S1603 PolarHBondContact O-N 2.05Å; H1601-C1604 PolarHBondContact O-N 2.98Å; H1601-V1659 HydrophobicContact CB-CG1 3.76Å; H1601-V1659 HydrophobicContact CB-CG2 4.23Å
1602S93.6Very high92.3Very high37 Ų3752.2 Ų52.226%0.25929%0.29SS..G310 helixtrans-72.7-12.7179.162.10000115.1M1596 S1600 C1604M1596-S1602 PolarHBondContact SD-OG 2.77Å; S1600-S1602 WeakPolarHBondContact CB-OG 3.16Å; S1600-S1602 PolarHBondContact O-N 3.04Å; S1600-S1602 PolarHBondContact OG-N 3.34Å; S1600-S1602 PolarHBondContact OG-OG 3.13Å; S1602-C1604 VanDerWaalsContact C-N 3.3Å
1603S96.9Very high92.7Very high0 Ų046.8 Ų46.80%026%0.264CS..G310 helixtrans-81-7.6170.166.50000113.5H1561 F1584 S1600 H1601H1561-S1603 PolarHBondContact CE1-OG 3.15Å; H1561-S1603 VanDerWaalsContact CE1-OG 3.25Å; H1561-S1603 PolarHBondContact NE2-OG 3.34Å; F1584-S1603 PolarHBondContact N-O 3.43Å; F1584-S1603 WeakPolarHBondContact O-CA 3.31Å; F1584-S1603 WeakPolarHBondContact O-CB 3.48Å; S1600-S1603 PolarHBondContact O-N 3.3Å; S1600-S1603 VanDerWaalsContact O-N 3.08Å; S1600-S1603 PolarHBondContact O-OG 2.82Å; H1601-S1603 VanDerWaalsContact C-N 3.3Å; H1601-S1603 PolarHBondContact O-N 2.05Å
1604C97.7Very high92.7Very high14 Ų1450.9 Ų50.910%0.09528%0.28CS..EExtended strand (participates in β ladder)trans-112.288.9-173.5-164.10000111.9T1559 H1601 S1602 C1657 V1659T1559-C1604 HydrophobicContact CG2-CB 3.92Å; H1601-C1604 PolarHBondContact O-N 2.98Å; S1602-C1604 VanDerWaalsContact C-N 3.3Å; C1604-C1657 WeakPolarHBondContact CA-SG 3.31Å; C1604-C1657 HydrophobicContact CB-CB 3.88Å; C1604-C1657 WeakPolarHBondContact CB-SG 3.48Å; C1604-C1657 WeakPolarHBondContact SG-CB 3.24Å; C1604-C1657 CovalentContact SG-SG 2.04Å; C1604-C1657 PolarHBondContact SG-SG 3.41Å; C1604-V1659 HydrophobicContact CB-CG2 3.62Å
1605L96.4Very high92.3Very high55 Ų5548 Ų4829%0.28826%0.261SS..EExtended strand (participates in β ladder)trans-84.1124.7179.2-62.5-176.7000110.1G1581 Y1582 F1584 M1607 P1612 W1633G1581-L1605 CarbonylContact C-O 2.9Å; G1581-L1605 WeakPolarHBondContact CA-O 3.02Å; Y1582-L1605 PolarHBondContact N-O 3.21Å; Y1582-L1605 PolarHBondContact O-N 2.93Å; Y1582-L1605 VanDerWaalsContact O-N 3.08Å; F1584-L1605 HydrophobicContact CB-CD1 3.66Å; F1584-L1605 HydrophobicContact CB-CG 3.77Å; F1584-L1605 HydrophobicContact CD1-CD1 4Å; F1584-L1605 HydrophobicContact CD1-CG 4.42Å; F1584-L1605 HydrophobicContact CD2-CD1 4.02Å; F1584-L1605 HydrophobicContact CG-CD1 3.61Å; F1584-L1605 HydrophobicContact CG-CG 4.17Å; L1605-M1607 PolarHBondContact O-N 3.08Å; L1605-M1607 VanDerWaalsContact O-N 3.14Å; L1605-P1612 HydrophobicContact CD1-CB 4.01Å; L1605-P1612 HydrophobicContact CD1-CG 4.33Å; L1605-W1633 HydrophobicContact CB-CH2 4.33Å; L1605-W1633 HydrophobicContact CB-CZ3 4.34Å; L1605-W1633 HydrophobicContact CD1-CH2 3.8Å; L1605-W1633 HydrophobicContact CD1-CZ3 4.31Å
1606S94.1Very high92Very high91 Ų9149 Ų4964%0.63627%0.269SS*.SBendtrans-62-22.1-177.653.60000114.1
1607M91.8Very high91.4Very high147 Ų14749.6 Ų49.672%0.72427%0.273SS*.SBendtrans-127.8138.4174.2-59.7-166.6-59.800110.7L1605L1605-M1607 PolarHBondContact O-N 3.08Å; L1605-M1607 VanDerWaalsContact O-N 3.14Å
1608F91.6Very high91Very high53 Ų5360.6 Ų60.623%0.23231%0.312CS..  trans-80.1147.2169.7172.5-100.9000110.5Y1582 I1610 W1633 V1650 V1654Y1582-F1608 HydrophobicContact CD1-CB 3.82Å; Y1582-F1608 HydrophobicContact CD2-CB 3.69Å; Y1582-F1608 HydrophobicContact CE1-CB 3.88Å; Y1582-F1608 HydrophobicContact CE2-CB 3.77Å; Y1582-F1608 VanDerWaalsContact CE2-N 3.3Å; Y1582-F1608 HydrophobicContact CG-CB 3.69Å; F1608-I1610 HydrophobicContact CE1-CG1 4.18Å; F1608-I1610 HydrophobicContact CZ-CG1 4.2Å; F1608-W1633 AromaticContact CD2-CD2 3.73Å; F1608-W1633 HydrophobicContact CD2-CD2 3.73Å; F1608-W1633 AromaticContact CD2-CE2 3.63Å; F1608-W1633 AromaticContact CD2-CE3 3.93Å; F1608-W1633 HydrophobicContact CD2-CE3 3.93Å; F1608-W1633 HydrophobicContact CD2-CG 4.36Å; F1608-W1633 AromaticContact CD2-CH2 3.94Å; F1608-W1633 HydrophobicContact CD2-CH2 3.94Å; F1608-W1633 AromaticContact CD2-CZ2 3.75Å; F1608-W1633 HydrophobicContact CD2-CZ2 3.75Å; F1608-W1633 HydrophobicContact CD2-CZ3 4.04Å; F1608-W1633 AromaticContact CE2-CD1 3.8Å; F1608-W1633 AromaticContact CE2-CD2 3.73Å; F1608-W1633 HydrophobicContact CE2-CD2 3.73Å; F1608-W1633 AromaticContact CE2-CE2 3.51Å; F1608-W1633 HydrophobicContact CE2-CE3 4.39Å; F1608-W1633 AromaticContact CE2-CG 3.94Å; F1608-W1633 HydrophobicContact CE2-CG 3.94Å; F1608-W1633 HydrophobicContact CE2-CZ2 4Å; F1608-W1633 AromaticContact CE2-NE1 3.55Å; F1608-V1650 HydrophobicContact CE1-CG1 3.72Å; F1608-V1650 HydrophobicContact CE2-CG1 4.27Å; F1608-V1650 HydrophobicContact CZ-CG1 3.46Å; F1608-V1650 VanDerWaalsContact CZ-CG1 3.46Å; F1608-V1654 HydrophobicContact CD2-CG1 4.24Å; F1608-V1654 HydrophobicContact CD2-CG2 4.06Å; F1608-V1654 HydrophobicContact CE2-CG2 3.75Å; F1608-V1654 HydrophobicContact CZ-CG2 4.39Å
1609S88.8Confident90.7Very high48 Ų4866.3 Ų66.334%0.33634%0.342SS..  trans-152.2146165.1178.50000109.2M1611 W1633S1609-M1611 WeakPolarHBondContact CB-O 3.15Å; S1609-M1611 PolarHBondContact O-N 3.14Å; S1609-M1611 PolarHBondContact OG-N 3.12Å; S1609-M1611 PolarHBondContact OG-O 2.82Å; S1609-W1633 WeakPolarHBondContact O-CZ2 3.24Å
1610I88.9Confident90.3Very high23 Ų2369 Ų6912%0.11837%0.37CS..SBendtrans-58-27.1168.1-61.7-177.3000110.3F1608 S1631 C1726 S1731F1608-I1610 HydrophobicContact CE1-CG1 4.18Å; F1608-I1610 HydrophobicContact CZ-CG1 4.2Å; I1610-S1631 PolarHBondContact O-OG 2.04Å; I1610-C1726 HydrophobicContact CB-CB 4.46Å; I1610-C1726 HydrophobicContact CG2-CB 4.03Å; I1610-S1731 WeakPolarHBondContact CD1-O 3.17Å
1611M88.9Confident90Very high6 Ų669.5 Ų69.53%0.0337%0.374CS..  trans-139.4100.2171.1-160.452.456.700111S1609 F1613 D1629 N1728S1609-M1611 WeakPolarHBondContact CB-O 3.15Å; S1609-M1611 PolarHBondContact O-N 3.14Å; S1609-M1611 PolarHBondContact OG-N 3.12Å; S1609-M1611 PolarHBondContact OG-O 2.82Å; M1611-F1613 VanDerWaalsContact C-N 3.29Å; M1611-F1613 WeakPolarHBondContact CG-O 3.34Å; M1611-F1613 PolarHBondContact O-N 2.95Å; M1611-F1613 HydrophobicContact SD-CD1 3.86Å; M1611-F1613 HydrophobicContact SD-CD2 4.31Å; M1611-F1613 HydrophobicContact SD-CE1 3.29Å; M1611-F1613 WeakPolarHBondContact SD-CE1 3.26Å; M1611-F1613 HydrophobicContact SD-CE2 3.81Å; M1611-F1613 HydrophobicContact SD-CG 4.33Å; M1611-F1613 HydrophobicContact SD-CZ 3.28Å; M1611-F1613 WeakPolarHBondContact SD-CZ 3.23Å; M1611-D1629 HydrophobicContact CE-CB 3.9Å; M1611-D1629 WeakPolarHBondContact CE-O 3.32Å; M1611-D1629 HydrophobicContact SD-CB 3.96Å; M1611-N1728 HydrophobicContact CB-CB 4.21Å; M1611-N1728 WeakPolarHBondContact CB-ND2 3.26Å; M1611-N1728 HydrophobicContact CE-CB 3.89Å
1612P89.4Confident89.6Confident50 Ų5068.2 Ų68.233%0.32538%0.375SS..  trans-85.65-177.333.9-34.2000113.8F1584 L1605 W1633F1584-P1612 HydrophobicContact CD2-CG 4.31Å; F1584-P1612 HydrophobicContact CE2-CG 3.99Å; L1605-P1612 HydrophobicContact CD1-CB 4.01Å; L1605-P1612 HydrophobicContact CD1-CG 4.33Å; P1612-W1633 HydrophobicContact CB-CZ2 4.25Å; P1612-W1633 HydrophobicContact CG-CH2 4.48Å; P1612-W1633 HydrophobicContact CG-CZ2 3.89Å
1613F87.9Confident89Confident45 Ų4568.7 Ų68.720%0.19737%0.373CS..  trans-136.1163.9-178.562.3-89.4000112.1A1587 M1611 L1624 D1629A1587-F1613 HydrophobicContact CB-CD1 3.82Å; A1587-F1613 HydrophobicContact CB-CE1 3.29Å; A1587-F1613 HydrophobicContact CB-CZ 3.86Å; M1611-F1613 VanDerWaalsContact C-N 3.29Å; M1611-F1613 WeakPolarHBondContact CG-O 3.34Å; M1611-F1613 PolarHBondContact O-N 2.95Å; M1611-F1613 HydrophobicContact SD-CD1 3.86Å; M1611-F1613 HydrophobicContact SD-CD2 4.31Å; M1611-F1613 HydrophobicContact SD-CE1 3.29Å; M1611-F1613 WeakPolarHBondContact SD-CE1 3.26Å; M1611-F1613 HydrophobicContact SD-CE2 3.81Å; M1611-F1613 HydrophobicContact SD-CG 4.33Å; M1611-F1613 HydrophobicContact SD-CZ 3.28Å; M1611-F1613 WeakPolarHBondContact SD-CZ 3.23Å; F1613-L1624 WeakPolarHBondContact O-CD1 2.94Å; F1613-D1629 HydrophobicContact CE2-CB 4.07Å; F1613-D1629 HydrophobicContact CZ-CB 4.05Å
1614F86.2Confident88.2Confident134 Ų13474 Ų7459%0.58840%0.402SS*.  trans-136162.7171.458.1-89.6000109C1622 L1624F1614-C1622 HydrophobicContact CD2-CB 4.32Å; F1614-L1624 HydrophobicContact CB-CB 4.12Å; F1614-L1624 HydrophobicContact CB-CD1 4.09Å
1615Q82Confident86.8Confident24 Ų2474.4 Ų74.411%0.11241%0.407CS..EExtended strand (participates in β ladder)trans-117.7139.4-178.3-63.1165.915.600109.7G1589 N1590 C1622 Q1623 D1629G1589-Q1615 VanDerWaalsContact CA-NE2 3.29Å; N1590-Q1615 PolarHBondContact ND2-OE1 3.41Å; N1590-Q1615 PolarHBondContact OD1-OE1 2.84Å; Q1615-C1622 CarbonylContact O-C 3.16Å; Q1615-C1622 VanDerWaalsContact O-CA 3.29Å; Q1615-C1622 WeakPolarHBondContact O-CA 3.39Å; Q1615-Q1623 PolarHBondContact N-O 3.23Å; Q1615-Q1623 PolarHBondContact O-N 3.45Å; Q1615-D1629 PolarHBondContact NE2-OD1 3.2Å; Q1615-D1629 PolarHBondContact NE2-OD2 3.27Å; Q1615-D1629 VanDerWaalsContact NE2-OD2 3.07Å
1616C85Confident85.4Confident74 Ų7476.6 Ų76.650%0.542%0.423SS..EExtended strand (participates in β ladder)trans-113.2132.6171.7-57.60000110.4S1621 C1622C1616-S1621 CarbonylContact C-O 3.39Å; C1616-S1621 WeakPolarHBondContact CA-O 3.12Å; C1616-C1622 HydrophobicContact CB-CB 4.13Å; C1616-C1622 WeakPolarHBondContact CB-SG 3.25Å; C1616-C1622 WeakPolarHBondContact SG-CB 3.48Å; C1616-C1622 CovalentContact SG-SG 2.05Å; C1616-C1622 PolarHBondContact SG-SG 3.42Å
1617L82.2Confident84.1Confident58 Ų5876.8 Ų76.830%0.30441%0.41SS..  trans-86.2164.2177.7-62.8177.2000110.4D1619 G1620 S1621L1617-D1619 WeakPolarHBondContact CB-OD1 3.48Å; L1617-D1619 PolarHBondContact O-N 2.97Å; L1617-D1619 VanDerWaalsContact O-N 3.13Å; L1617-G1620 PolarHBondContact O-N 3Å; L1617-G1620 VanDerWaalsContact O-N 3.08Å; L1617-S1621 PolarHBondContact N-O 3.28Å
1618R86.3Confident83.4Confident266 Ų26673.5 Ų73.5100%1.00441%0.406SS*.THydrogen-bonded Turntrans-67.4-9.5-178.1-71.1-172.6178.1-172.80.3114.6G1620R1618-G1620 VanDerWaalsContact C-N 3.31Å
1619D90.3Very high83.1Confident121 Ų12171.3 Ų71.365%0.64740%0.397SS*.THydrogen-bonded Turntrans-84.4-3.8173.559.211.6000113.3L1617 S1621L1617-D1619 WeakPolarHBondContact CB-OD1 3.48Å; L1617-D1619 PolarHBondContact O-N 2.97Å; L1617-D1619 VanDerWaalsContact O-N 3.13Å; D1619-S1621 VanDerWaalsContact OD1-CB 3.28Å; D1619-S1621 WeakPolarHBondContact OD1-CB 3.1Å; D1619-S1621 PolarHBondContact OD1-N 3.45Å; D1619-S1621 PolarHBondContact OD1-OG 3.01Å; D1619-S1621 PolarHBondContact OD2-OG 3.09Å
1620G88.3Confident83Confident62 Ų6273 Ų7364%0.63940%0.396SS*.SBendtrans89.5-4.9-176.300000114.2L1617 R1618L1617-G1620 PolarHBondContact O-N 3Å; L1617-G1620 VanDerWaalsContact O-N 3.08Å; R1618-G1620 VanDerWaalsContact C-N 3.31Å
1621S88.7Confident83.1Confident46 Ų4671.9 Ų71.932%0.32239%0.39SS..  trans-75139.5173.671.90000111.2C1616 L1617 D1619C1616-S1621 CarbonylContact C-O 3.39Å; C1616-S1621 WeakPolarHBondContact CA-O 3.12Å; L1617-S1621 PolarHBondContact N-O 3.28Å; D1619-S1621 VanDerWaalsContact OD1-CB 3.28Å; D1619-S1621 WeakPolarHBondContact OD1-CB 3.1Å; D1619-S1621 PolarHBondContact OD1-N 3.45Å; D1619-S1621 PolarHBondContact OD1-OG 3.01Å; D1619-S1621 PolarHBondContact OD2-OG 3.09Å
1622C87.5Confident83.3Confident78 Ų7871.8 Ų71.853%0.52739%0.389SS..EExtended strand (participates in β ladder)trans-117.1134.6174.7-59.20000110.6F1614 Q1615 C1616F1614-C1622 HydrophobicContact CD2-CB 4.32Å; Q1615-C1622 CarbonylContact O-C 3.16Å; Q1615-C1622 VanDerWaalsContact O-CA 3.29Å; Q1615-C1622 WeakPolarHBondContact O-CA 3.39Å; C1616-C1622 HydrophobicContact CB-CB 4.13Å; C1616-C1622 WeakPolarHBondContact CB-SG 3.25Å; C1616-C1622 WeakPolarHBondContact SG-CB 3.48Å; C1616-C1622 CovalentContact SG-SG 2.05Å; C1616-C1622 PolarHBondContact SG-SG 3.42Å
1623Q79.5Confident83.5Confident47 Ų4769.4 Ų69.422%0.2237%0.374CS..EExtended strand (participates in β ladder)trans-117.3121.6-175.2-64.2-176.7-1.200109.3Q1615 V1626Q1615-Q1623 PolarHBondContact N-O 3.23Å; Q1615-Q1623 PolarHBondContact O-N 3.45Å; Q1623-V1626 HydrophobicContact CB-CB 4.13Å; Q1623-V1626 HydrophobicContact CB-CG2 3.85Å; Q1623-V1626 HydrophobicContact CG-CB 4.48Å; Q1623-V1626 HydrophobicContact CG-CG2 4.24Å
1624L80.1Confident83.9Confident113 Ų11367.3 Ų67.359%0.59237%0.365SS*.SBendtrans-110.5114.1171.9173.665.7000107.9F1613 F1614 V1626F1613-L1624 WeakPolarHBondContact O-CD1 2.94Å; F1614-L1624 HydrophobicContact CB-CB 4.12Å; F1614-L1624 HydrophobicContact CB-CD1 4.09Å; L1624-V1626 PolarHBondContact O-N 2.76Å
1625G69.8Low84.3Confident21 Ų2161 Ų6122%0.21634%0.337CS..SBendtrans70.86174.600000117.3R1627 N1728G1625-R1627 PolarHBondContact O-N 2.81Å; G1625-N1728 WeakPolarHBondContact CA-ND2 3.17Å
1626V66.1Low84.9Confident102 Ų10260 Ų6062%0.61833%0.333SS*.SBendtrans-75.1-8.1-178.8-165.50000112.3Q1623 L1624Q1623-V1626 HydrophobicContact CB-CB 4.13Å; Q1623-V1626 HydrophobicContact CB-CG2 3.85Å; Q1623-V1626 HydrophobicContact CG-CB 4.48Å; Q1623-V1626 HydrophobicContact CG-CG2 4.24Å; L1624-V1626 PolarHBondContact O-N 2.76Å
1627R67.8Low85.2Confident95 Ų9559.5 Ų59.536%0.35833%0.327SS..SBendtrans-125.9165.8-178.2-59.8-177.9-177.1-142.3-7.5110.3N1590 G1625 D1629N1590-R1627 WeakPolarHBondContact OD1-CD 3.21Å; N1590-R1627 PolarHBondContact OD1-NH1 2.85Å; G1625-R1627 PolarHBondContact O-N 2.81Å; R1627-D1629 PolarHBondContact O-N 2.89Å
1628A77Confident85.5Confident78 Ų7858.7 Ų58.765%0.64532%0.322SS*.  trans-73.741176.600000113.2
1629D84Confident85.5Confident6 Ų650.7 Ų50.73%0.03230%0.304CS..  trans-66.1152175.4-57.2-41000110N1588 G1589 N1590 M1611 F1613 Q1615 R1627N1588-D1629 WeakPolarHBondContact O-CA 3.36Å; G1589-D1629 WeakPolarHBondContact CA-OD1 3.27Å; N1590-D1629 PolarHBondContact N-OD1 3.1Å; M1611-D1629 HydrophobicContact CE-CB 3.9Å; M1611-D1629 WeakPolarHBondContact CE-O 3.32Å; M1611-D1629 HydrophobicContact SD-CB 3.96Å; F1613-D1629 HydrophobicContact CE2-CB 4.07Å; F1613-D1629 HydrophobicContact CZ-CB 4.05Å; Q1615-D1629 PolarHBondContact NE2-OD1 3.2Å; Q1615-D1629 PolarHBondContact NE2-OD2 3.27Å; Q1615-D1629 VanDerWaalsContact NE2-OD2 3.07Å; R1627-D1629 PolarHBondContact O-N 2.89Å
1630R87.9Confident85.2Confident83 Ų8349.9 Ų49.931%0.31330%0.3SS..EExtended strand (participates in β ladder)trans-133.8141.4-175.6-54.8-178.3-174.3-160.79.6111.2A1587 N1588 Y1632 E1725 C1726A1587-R1630 WeakPolarHBondContact CA-O 3.36Å; N1588-R1630 HydrophobicContact CB-CB 4.37Å; N1588-R1630 PolarHBondContact N-O 3.05Å; N1588-R1630 PolarHBondContact O-N 2.79Å; R1630-Y1632 HydrophobicContact CB-CE2 3.68Å; R1630-Y1632 WeakPolarHBondContact CD-OH 3.49Å; R1630-E1725 WeakPolarHBondContact CD-OE2 3.44Å; R1630-E1725 IonicContact CZ-OE1 2.71Å; R1630-E1725 IonicContact CZ-OE2 2.66Å; R1630-E1725 IonicContact NE-OE1 3.46Å; R1630-E1725 VanDerWaalsContact NH1-CD 3.26Å; R1630-E1725 IonicContact NH1-OE1 2.67Å; R1630-E1725 PolarHBondContact NH1-OE1 3.08Å; R1630-E1725 IonicContact NH1-OE2 3.54Å; R1630-E1725 PolarHBondContact NH1-OE2 3.36Å; R1630-C1726 WeakPolarHBondContact CA-O 3.13Å
1631S90.7Very high85Confident0 Ų048.5 Ų48.50%028%0.28CS..EExtended strand (participates in β ladder)trans-116.5149.5167.373.90000110.2I1610 W1633 C1726I1610-S1631 PolarHBondContact O-OG 2.04Å; S1631-W1633 PolarHBondContact OG-NE1 3.4Å; S1631-C1726 PolarHBondContact N-O 3.17Å; S1631-C1726 PolarHBondContact O-N 2.86Å
1632Y92.7Very high84.5Confident5 Ų555.5 Ų55.52%0.0231%0.309CS..EExtended strand (participates in β ladder)trans-132.5133.3-176.4-61.4-94.2000110.6V1585 M1586 N1588 R1630 V1699 L1724 E1725V1585-Y1632 PolarHBondContact N-O 2.93Å; M1586-Y1632 HydrophobicContact CE-CD2 4.03Å; M1586-Y1632 HydrophobicContact CE-CE2 4.09Å; M1586-Y1632 HydrophobicContact CE-CG 4.49Å; M1586-Y1632 VanDerWaalsContact CG-CB 3.4Å; M1586-Y1632 HydrophobicContact CG-CD2 3.61Å; M1586-Y1632 HydrophobicContact CG-CG 3.66Å; M1586-Y1632 PolarHBondContact N-O 2.87Å; M1586-Y1632 PolarHBondContact O-N 3.02Å; M1586-Y1632 HydrophobicContact SD-CD2 4.27Å; M1586-Y1632 HydrophobicContact SD-CG 4.23Å; N1588-Y1632 HydrophobicContact CB-CE2 4.47Å; R1630-Y1632 HydrophobicContact CB-CE2 3.68Å; R1630-Y1632 WeakPolarHBondContact CD-OH 3.49Å; Y1632-V1699 HydrophobicContact CD1-CG2 4.12Å; Y1632-V1699 HydrophobicContact CE1-CB 4.25Å; Y1632-V1699 HydrophobicContact CE1-CG1 3.92Å; Y1632-V1699 HydrophobicContact CE1-CG2 3.63Å; Y1632-L1724 WeakPolarHBondContact CA-O 3.5Å; Y1632-E1725 HydrophobicContact CD1-CB 3.82Å; Y1632-E1725 HydrophobicContact CD1-CG 4.04Å; Y1632-E1725 HydrophobicContact CE1-CB 3.52Å; Y1632-E1725 HydrophobicContact CE1-CG 3.41Å; Y1632-E1725 VanDerWaalsContact CE1-CG 3.41Å; Y1632-E1725 WeakPolarHBondContact CE1-OE2 3.2Å; Y1632-E1725 VanDerWaalsContact CZ-OE2 3.25Å; Y1632-E1725 PolarHBondContact OH-OE2 2.78Å
1633W94.5Very high84Confident0 Ų058.7 Ų58.70%032%0.318CS..EExtended strand (participates in β ladder)trans-125.4146.5-170.9-5982.7000109.7S1583 F1584 L1605 F1608 S1609 P1612 S1631 A1635 V1654 L1723 L1724S1583-W1633 CarbonylContact O-C 3.58Å; S1583-W1633 VanDerWaalsContact O-CA 3.26Å; S1583-W1633 WeakPolarHBondContact O-CA 3.43Å; F1584-W1633 HydrophobicContact CB-CE3 4.04Å; F1584-W1633 HydrophobicContact CB-CH2 4.28Å; F1584-W1633 HydrophobicContact CB-CZ3 3.8Å; F1584-W1633 HydrophobicContact CD2-CD2 4.42Å; F1584-W1633 HydrophobicContact CD2-CH2 4.24Å; F1584-W1633 HydrophobicContact CD2-CZ2 4.11Å; F1584-W1633 HydrophobicContact CD2-CZ3 4.41Å; L1605-W1633 HydrophobicContact CB-CH2 4.33Å; L1605-W1633 HydrophobicContact CB-CZ3 4.34Å; L1605-W1633 HydrophobicContact CD1-CH2 3.8Å; L1605-W1633 HydrophobicContact CD1-CZ3 4.31Å; F1608-W1633 AromaticContact CD2-CD2 3.73Å; F1608-W1633 HydrophobicContact CD2-CD2 3.73Å; F1608-W1633 AromaticContact CD2-CE2 3.63Å; F1608-W1633 AromaticContact CD2-CE3 3.93Å; F1608-W1633 HydrophobicContact CD2-CE3 3.93Å; F1608-W1633 HydrophobicContact CD2-CG 4.36Å; F1608-W1633 AromaticContact CD2-CH2 3.94Å; F1608-W1633 HydrophobicContact CD2-CH2 3.94Å; F1608-W1633 AromaticContact CD2-CZ2 3.75Å; F1608-W1633 HydrophobicContact CD2-CZ2 3.75Å; F1608-W1633 HydrophobicContact CD2-CZ3 4.04Å; F1608-W1633 AromaticContact CE2-CD1 3.8Å; F1608-W1633 AromaticContact CE2-CD2 3.73Å; F1608-W1633 HydrophobicContact CE2-CD2 3.73Å; F1608-W1633 AromaticContact CE2-CE2 3.51Å; F1608-W1633 HydrophobicContact CE2-CE3 4.39Å; F1608-W1633 AromaticContact CE2-CG 3.94Å; F1608-W1633 HydrophobicContact CE2-CG 3.94Å; F1608-W1633 HydrophobicContact CE2-CZ2 4Å; F1608-W1633 AromaticContact CE2-NE1 3.55Å; S1609-W1633 WeakPolarHBondContact O-CZ2 3.24Å; P1612-W1633 HydrophobicContact CB-CZ2 4.25Å; P1612-W1633 HydrophobicContact CG-CH2 4.48Å; P1612-W1633 HydrophobicContact CG-CZ2 3.89Å; S1631-W1633 PolarHBondContact OG-NE1 3.4Å; W1633-A1635 PolarHBondContact O-N 3.25Å; W1633-V1654 HydrophobicContact CB-CG1 4.03Å; W1633-V1654 HydrophobicContact CB-CG2 4.08Å; W1633-V1654 HydrophobicContact CD2-CG1 4.37Å; W1633-V1654 HydrophobicContact CE3-CG1 3.99Å; W1633-V1654 HydrophobicContact CG-CG1 4.41Å; W1633-V1654 HydrophobicContact CG-CG2 4.39Å; W1633-L1723 WeakPolarHBondContact O-CA 3.17Å; W1633-L1724 PolarHBondContact N-O 3.37Å; W1633-L1724 PolarHBondContact O-N 2.92Å
1634L95.6Very high83.7Confident1 Ų159.8 Ų59.81%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-68.1125176.5-166.879.3000107.3H1561 Q1563 S1583 V1585 L1598 A1655 L1715 P1722H1561-L1634 HydrophobicContact CB-CD2 3.79Å; Q1563-L1634 HydrophobicContact CG-CD2 3.88Å; Q1563-L1634 HydrophobicContact CG-CG 4.49Å; S1583-L1634 VanDerWaalsContact CB-CB 3.48Å; S1583-L1634 PolarHBondContact O-N 2.87Å; V1585-L1634 HydrophobicContact CG2-CB 3.89Å; V1585-L1634 HydrophobicContact CG2-CD1 4.4Å; V1585-L1634 VanDerWaalsContact CG2-N 3.28Å; L1598-L1634 HydrophobicContact CD1-CD1 4.06Å; L1634-A1655 HydrophobicContact CB-CB 4.16Å; L1634-A1655 HydrophobicContact CD2-CB 4.16Å; L1634-A1655 HydrophobicContact CG-CB 4.35Å; L1634-A1655 WeakPolarHBondContact O-CB 3.29Å; L1634-A1655 PolarHBondContact O-N 3.13Å; L1634-L1715 HydrophobicContact CD1-CD1 4.37Å; L1634-L1715 HydrophobicContact CD1-CD2 4.35Å; L1634-L1715 HydrophobicContact CD2-CD2 4.03Å; L1634-P1722 CarbonylContact C-O 3.02Å; L1634-P1722 WeakPolarHBondContact CA-O 3.24Å; L1634-P1722 HydrophobicContact CD1-CB 4.31Å; L1634-P1722 WeakPolarHBondContact CD1-O 3.07Å
1635A94.2Very high83.8Confident0 Ų054.4 Ų54.40%030%0.301CS..BIsolated β-bridgetrans-82.3149-176.900000111.8W1633 R1653 P1722 L1724 Y1735W1633-A1635 PolarHBondContact O-N 3.25Å; A1635-R1653 WeakPolarHBondContact CA-O 3.18Å; A1635-P1722 PolarHBondContact N-O 3.18Å; A1635-L1724 HydrophobicContact CB-CB 4.42Å; A1635-Y1735 HydrophobicContact CB-CE1 3.59Å
1636T94.5Very high84.1Confident4 Ų458 Ų583%0.02532%0.316CS..PPolyproline II helixtrans-72.7167.517053.90000113.3Q1563 P1565 E1638 R1652 R1653 A1655Q1563-T1636 CarbonylContact O-C 3.48Å; Q1563-T1636 WeakPolarHBondContact O-CA 3.07Å; Q1563-T1636 WeakPolarHBondContact O-CB 3.38Å; P1565-T1636 HydrophobicContact CB-CG2 4.15Å; P1565-T1636 HydrophobicContact CG-CG2 4.44Å; T1636-E1638 PolarHBondContact O-N 2.91Å; T1636-E1638 WeakPolarHBondContact OG1-CB 3.44Å; T1636-R1652 WeakPolarHBondContact CG2-O 3.44Å; T1636-R1652 PolarHBondContact OG1-O 2.86Å; T1636-R1653 PolarHBondContact N-O 3.37Å; T1636-R1653 WeakPolarHBondContact OG1-CA 3.4Å; T1636-R1653 PolarHBondContact OG1-O 3.35Å; T1636-A1655 HydrophobicContact CG2-CB 4.4Å
1637T90.7Very high84.5Confident63 Ų6357.7 Ų57.739%0.38731%0.314SS..SBendtrans-73.75.5171.853.90000114.9Q1563 Y1717Q1563-T1637 HydrophobicContact CB-CG2 4.12Å; Q1563-T1637 PolarHBondContact O-N 3.05Å; Q1563-T1637 PolarHBondContact O-OG1 2.69Å; T1637-Y1717 HydrophobicContact CG2-CD1 4.13Å; T1637-Y1717 HydrophobicContact CG2-CG 3.87Å
1638E90.2Very high85Confident41 Ų4157.9 Ų57.919%0.19233%0.33CS..SBendtrans-54.6137.6171.2-78.6-82.2-160.100112.7P1565 T1636 L1640 R1652P1565-E1638 HydrophobicContact CG-CG 4.16Å; T1636-E1638 PolarHBondContact O-N 2.91Å; T1636-E1638 WeakPolarHBondContact OG1-CB 3.44Å; E1638-L1640 PolarHBondContact O-N 2.86Å; E1638-R1652 WeakPolarHBondContact OE1-CD 3.45Å; E1638-R1652 WeakPolarHBondContact OE1-CG 3.43Å; E1638-R1652 IonicContact OE1-CZ 3.78Å; E1638-R1652 IonicContact OE1-NE 3.25Å; E1638-R1652 PolarHBondContact OE1-NE 3Å; E1638-R1652 IonicContact OE1-NH1 3.77Å; E1638-R1652 PolarHBondContact OE1-NH1 3.08Å
1639P85.1Confident85.3Confident98 Ų9858.7 Ų58.764%0.63632%0.32SS*.PPolyproline II helixtrans-54.7135.8179.1-26.735.5000113.2R1653P1639-R1653 VanDerWaalsContact O-CZ 3.23Å; P1639-R1653 PolarHBondContact O-NH1 3.17Å; P1639-R1653 PolarHBondContact O-NH2 2.88Å
1640L85.3Confident85.5Confident104 Ų10458.6 Ų58.655%0.54532%0.32SS..PPolyproline II helixtrans-56.2131.8-179.5-70.5170.7000111E1638 Y1735E1638-L1640 PolarHBondContact O-N 2.86Å; L1640-Y1735 HydrophobicContact CD2-CD1 3.38Å; L1640-Y1735 HydrophobicContact CD2-CD2 3.91Å; L1640-Y1735 HydrophobicContact CD2-CE1 3.67Å; L1640-Y1735 HydrophobicContact CD2-CE2 4.2Å; L1640-Y1735 HydrophobicContact CD2-CG 3.48Å; L1640-Y1735 VanDerWaalsContact CD2-CG 3.48Å
1641P83.5Confident85.4Confident34 Ų3459.9 Ų59.922%0.22133%0.329CS..PPolyproline II helixtrans-77.1149.4-178.936-37.3000110.6M1643 L1645 Y1735P1641-M1643 WeakPolarHBondContact CB-O 3.37Å; P1641-M1643 WeakPolarHBondContact CG-O 3.28Å; P1641-M1643 PolarHBondContact O-N 2.68Å; P1641-L1645 HydrophobicContact CB-CD2 4.08Å; P1641-L1645 HydrophobicContact CG-CD2 3.81Å; P1641-L1645 HydrophobicContact CG-CG 4.31Å; P1641-Y1735 VanDerWaalsContact CD-CD2 3.46Å; P1641-Y1735 VanDerWaalsContact CD-CE2 3.5Å; P1641-Y1735 HydrophobicContact CG-CD2 3.86Å; P1641-Y1735 HydrophobicContact CG-CE2 4.03Å
1642M77.8Confident85.4Confident192 Ų19265.3 Ų65.395%0.94635%0.35SS*.SBendtrans-78.1-8.2175-70-68.6-68.800113.4
1643M76.8Confident85.4Confident146 Ų14666.3 Ų66.372%0.71935%0.353SS*.SBendtrans-142.1161-176.9-64.2-172.5-66.700109.8P1641P1641-M1643 WeakPolarHBondContact CB-O 3.37Å; P1641-M1643 WeakPolarHBondContact CG-O 3.28Å; P1641-M1643 PolarHBondContact O-N 2.68Å
1644P73.6Confident85.4Confident69 Ų6966.5 Ų66.545%0.44835%0.354SS..PPolyproline II helixtrans-55143.7172.1-24.434.9000112.1L1732P1644-L1732 HydrophobicContact CB-CD1 4.27Å; P1644-L1732 HydrophobicContact CB-CD2 4.22Å
1645L81.7Confident85.4Confident1 Ų166.4 Ų66.41%0.00535%0.354CS..BIsolated β-bridgetrans-69136.6-172.7-65168.9000112P1641 E1649 V1650 R1653 L1724 L1732 C1733 Y1735P1641-L1645 HydrophobicContact CB-CD2 4.08Å; P1641-L1645 HydrophobicContact CG-CD2 3.81Å; P1641-L1645 HydrophobicContact CG-CG 4.31Å; L1645-E1649 HydrophobicContact CD2-CB 4.27Å; L1645-E1649 WeakPolarHBondContact CD2-OE2 3.36Å; L1645-V1650 HydrophobicContact CB-CG2 3.97Å; L1645-V1650 HydrophobicContact CD1-CG2 4.26Å; L1645-R1653 HydrophobicContact CD1-CB 3.86Å; L1645-R1653 HydrophobicContact CD1-CG 3.58Å; L1645-R1653 HydrophobicContact CD2-CG 3.75Å; L1645-R1653 HydrophobicContact CG-CG 4.34Å; L1645-L1724 HydrophobicContact CD1-CD1 3.61Å; L1645-L1724 HydrophobicContact CD1-CD2 4.02Å; L1645-L1724 HydrophobicContact CD1-CG 4.47Å; L1645-L1732 VanDerWaalsContact O-CD2 3.3Å; L1645-L1732 WeakPolarHBondContact O-CD2 3.29Å; L1645-C1733 WeakPolarHBondContact CB-O 2.93Å; L1645-C1733 HydrophobicContact CD1-CB 4.47Å; L1645-C1733 PolarHBondContact N-O 3.08Å; L1645-Y1735 HydrophobicContact CD1-CE2 4.33Å
1646N76.6Confident85.5Confident96 Ų9669 Ų6951%0.51336%0.364SS..PPolyproline II helixtrans-63.7140.4161.2-174.4-52.6000108.9S1648 E1649 V1650N1646-S1648 PolarHBondContact O-N 3Å; N1646-S1648 WeakPolarHBondContact OD1-CB 3.23Å; N1646-S1648 PolarHBondContact OD1-N 2.76Å; N1646-S1648 PolarHBondContact OD1-OG 2.87Å; N1646-E1649 HydrophobicContact CB-CG 4.36Å; N1646-E1649 WeakPolarHBondContact O-CB 3.48Å; N1646-E1649 PolarHBondContact O-N 2.92Å; N1646-V1650 PolarHBondContact O-N 3.46Å
1647V73.9Confident85.7Confident95 Ų9568.8 Ų68.858%0.57636%0.362SS*.Hα-helixtrans-48.9-34.1178.2-176.30000112.2E1649 V1650V1647-E1649 VanDerWaalsContact C-N 3.31Å; V1647-E1649 PolarHBondContact O-N 3.3Å; V1647-V1650 PolarHBondContact O-N 2.77Å
1648S78.4Confident86Confident100 Ų10065.8 Ų65.870%0.69934%0.344SS*.Hα-helixtrans-63.5-31.2177.4-46.20000113.9N1646N1646-S1648 PolarHBondContact O-N 3Å; N1646-S1648 WeakPolarHBondContact OD1-CB 3.23Å; N1646-S1648 PolarHBondContact OD1-N 2.76Å; N1646-S1648 PolarHBondContact OD1-OG 2.87Å
1649E84.3Confident86.4Confident95 Ų9564 Ų6444%0.44434%0.336SS..Hα-helixtrans-86.2-26.9-178.4-63.1-177.5172.400112.6L1645 N1646 V1647 H1651 R1652 R1653L1645-E1649 HydrophobicContact CD2-CB 4.27Å; L1645-E1649 WeakPolarHBondContact CD2-OE2 3.36Å; N1646-E1649 HydrophobicContact CB-CG 4.36Å; N1646-E1649 WeakPolarHBondContact O-CB 3.48Å; N1646-E1649 PolarHBondContact O-N 2.92Å; V1647-E1649 VanDerWaalsContact C-N 3.31Å; V1647-E1649 PolarHBondContact O-N 3.3Å; E1649-H1651 PolarHBondContact O-N 2.91Å; E1649-H1651 VanDerWaalsContact O-N 3.09Å; E1649-R1652 PolarHBondContact O-N 3.03Å; E1649-R1653 PolarHBondContact O-N 3.25Å
1650V87.5Confident86.9Confident4 Ų459.4 Ų59.42%0.02431%0.306CS..Hα-helixtrans-52.2-38.3-175178.60000112F1608 L1645 N1646 V1647 R1652 R1653 V1654 L1724 C1733F1608-V1650 HydrophobicContact CE1-CG1 3.72Å; F1608-V1650 HydrophobicContact CE2-CG1 4.27Å; F1608-V1650 HydrophobicContact CZ-CG1 3.46Å; F1608-V1650 VanDerWaalsContact CZ-CG1 3.46Å; L1645-V1650 HydrophobicContact CB-CG2 3.97Å; L1645-V1650 HydrophobicContact CD1-CG2 4.26Å; N1646-V1650 PolarHBondContact O-N 3.46Å; V1647-V1650 PolarHBondContact O-N 2.77Å; V1650-R1652 VanDerWaalsContact C-N 3.31Å; V1650-R1652 PolarHBondContact O-N 2.82Å; V1650-R1653 PolarHBondContact O-N 2.99Å; V1650-V1654 HydrophobicContact CG1-CG2 4.12Å; V1650-V1654 WeakPolarHBondContact O-CG2 3.1Å; V1650-V1654 PolarHBondContact O-N 2.82Å; V1650-V1654 VanDerWaalsContact O-N 3.1Å; V1650-L1724 HydrophobicContact CG1-CD2 4.24Å; V1650-C1733 HydrophobicContact CG1-CB 4.2Å; V1650-C1733 HydrophobicContact CG2-CB 3.99Å
1651H85.7Confident87.3Confident109 Ų10957 Ų5751%0.50529%0.292SS..Hα-helixtrans-59.4-36177.2-177-74.3000113.5Y1582 E1649Y1582-H1651 AromaticContact CE1-CD2 3.78Å; Y1582-H1651 AromaticContact CE1-NE2 3.76Å; Y1582-H1651 AromaticContact CZ-NE2 3.9Å; Y1582-H1651 PolarHBondContact OH-CD2 2.94Å; Y1582-H1651 VanDerWaalsContact OH-CD2 3.31Å; Y1582-H1651 PolarHBondContact OH-NE2 2.87Å; Y1582-H1651 VanDerWaalsContact OH-NE2 3.16Å; E1649-H1651 PolarHBondContact O-N 2.91Å; E1649-H1651 VanDerWaalsContact O-N 3.09Å
1652R90.9Very high87.7Confident115 Ų11555.5 Ų55.543%0.43428%0.283SS..Hα-helixtrans-83.8-12.3176.1-156.5175-170.3-1326.5112.5P1565 D1566 T1636 E1638 E1649 V1650P1565-R1652 HydrophobicContact CB-CG 3.76Å; P1565-R1652 HydrophobicContact CG-CG 4.07Å; D1566-R1652 IonicContact OD1-CZ 3.15Å; D1566-R1652 IonicContact OD1-NE 2.77Å; D1566-R1652 IonicContact OD1-NH2 2.68Å; D1566-R1652 PolarHBondContact OD1-NH2 2.84Å; D1566-R1652 IonicContact OD2-NH2 2.68Å; D1566-R1652 PolarHBondContact OD2-NH2 3.13Å; T1636-R1652 WeakPolarHBondContact CG2-O 3.44Å; T1636-R1652 PolarHBondContact OG1-O 2.86Å; E1638-R1652 WeakPolarHBondContact OE1-CD 3.45Å; E1638-R1652 WeakPolarHBondContact OE1-CG 3.43Å; E1638-R1652 IonicContact OE1-CZ 3.78Å; E1638-R1652 IonicContact OE1-NE 3.25Å; E1638-R1652 PolarHBondContact OE1-NE 3Å; E1638-R1652 IonicContact OE1-NH1 3.77Å; E1638-R1652 PolarHBondContact OE1-NH1 3.08Å; E1649-R1652 PolarHBondContact O-N 3.03Å; V1650-R1652 VanDerWaalsContact C-N 3.31Å; V1650-R1652 PolarHBondContact O-N 2.82Å
1653R92.4Very high88.2Confident26 Ų2647.4 Ų47.410%0.09824%0.244CC..Hα-helixtrans-91.7-18.7177.3-58.5-43.4-163110.5-8114.9A1635 T1636 P1639 L1645 E1649 V1650 L1724 Y1735A1635-R1653 WeakPolarHBondContact CA-O 3.18Å; T1636-R1653 PolarHBondContact N-O 3.37Å; T1636-R1653 WeakPolarHBondContact OG1-CA 3.4Å; T1636-R1653 PolarHBondContact OG1-O 3.35Å; P1639-R1653 VanDerWaalsContact O-CZ 3.23Å; P1639-R1653 PolarHBondContact O-NH1 3.17Å; P1639-R1653 PolarHBondContact O-NH2 2.88Å; L1645-R1653 HydrophobicContact CD1-CB 3.86Å; L1645-R1653 HydrophobicContact CD1-CG 3.58Å; L1645-R1653 HydrophobicContact CD2-CG 3.75Å; L1645-R1653 HydrophobicContact CG-CG 4.34Å; E1649-R1653 PolarHBondContact O-N 3.25Å; V1650-R1653 PolarHBondContact O-N 2.99Å; R1653-L1724 HydrophobicContact CB-CD2 4.14Å; R1653-Y1735 PolarHBondContact NH1-OH 3.06Å
1654V94.3Very high88.9Confident3 Ų341.4 Ų41.42%0.01822%0.216CC..BIsolated β-bridgetrans-92120.5177.9174.30000110.2Y1582 F1608 W1633 V1650 L1724Y1582-V1654 HydrophobicContact CD1-CG1 3.95Å; Y1582-V1654 HydrophobicContact CG-CG1 4.41Å; F1608-V1654 HydrophobicContact CD2-CG1 4.24Å; F1608-V1654 HydrophobicContact CD2-CG2 4.06Å; F1608-V1654 HydrophobicContact CE2-CG2 3.75Å; F1608-V1654 HydrophobicContact CZ-CG2 4.39Å; W1633-V1654 HydrophobicContact CB-CG1 4.03Å; W1633-V1654 HydrophobicContact CB-CG2 4.08Å; W1633-V1654 HydrophobicContact CD2-CG1 4.37Å; W1633-V1654 HydrophobicContact CE3-CG1 3.99Å; W1633-V1654 HydrophobicContact CG-CG1 4.41Å; W1633-V1654 HydrophobicContact CG-CG2 4.39Å; V1650-V1654 HydrophobicContact CG1-CG2 4.12Å; V1650-V1654 WeakPolarHBondContact O-CG2 3.1Å; V1650-V1654 PolarHBondContact O-N 2.82Å; V1650-V1654 VanDerWaalsContact O-N 3.1Å; V1654-L1724 HydrophobicContact CG2-CD2 3.83Å
1655A96.1Very high89.8Confident0 Ų042 Ų420%021%0.212CC..PPolyproline II helixtrans-61.7139.4179.800000111.6F1562 S1583 L1634 T1636F1562-A1655 WeakPolarHBondContact O-CA 3.26Å; F1562-A1655 VanDerWaalsContact O-CB 3.32Å; F1562-A1655 WeakPolarHBondContact O-CB 3.45Å; S1583-A1655 WeakPolarHBondContact CB-O 3.33Å; S1583-A1655 PolarHBondContact N-O 3.36Å; S1583-A1655 VanDerWaalsContact OG-C 3.28Å; S1583-A1655 PolarHBondContact OG-O 3.38Å; L1634-A1655 HydrophobicContact CB-CB 4.16Å; L1634-A1655 HydrophobicContact CD2-CB 4.16Å; L1634-A1655 HydrophobicContact CG-CB 4.35Å; L1634-A1655 WeakPolarHBondContact O-CB 3.29Å; L1634-A1655 PolarHBondContact O-N 3.13Å; T1636-A1655 HydrophobicContact CG2-CB 4.4Å
1656R97.1Very high90.4Very high53 Ų5342 Ų4220%0.221%0.213CC..EExtended strand (participates in β ladder)trans-79.6162.5173.7-65.3-64.8-65.5-164.82111F1562 P1569 D1580 G1581 Y1582 S1583F1562-R1656 HydrophobicContact CB-CB 4.48Å; F1562-R1656 PolarHBondContact N-O 3.22Å; F1562-R1656 PolarHBondContact O-N 3.38Å; P1569-R1656 HydrophobicContact CG-CB 3.6Å; P1569-R1656 HydrophobicContact CG-CG 4.18Å; D1580-R1656 IonicContact OD2-CZ 2.81Å; D1580-R1656 IonicContact OD2-NH2 3.73Å; D1580-R1656 PolarHBondContact OD2-NH2 2.87Å; G1581-R1656 CarbonylContact O-C 3.52Å; G1581-R1656 WeakPolarHBondContact O-CA 3.24Å; G1581-R1656 WeakPolarHBondContact O-CD 3.28Å; G1581-R1656 PolarHBondContact O-NE 2.89Å; Y1582-R1656 VanDerWaalsContact CE2-NH1 3.35Å; Y1582-R1656 PolarHBondContact OH-NH1 3.38Å; S1583-R1656 PolarHBondContact OG-O 2.98Å; S1583-R1656 VanDerWaalsContact OG-O 3.12Å
1657C97.5Very high91.4Very high0 Ų041.3 Ų41.30%020%0.204CC..EExtended strand (participates in β ladder)trans-142.8160.3176590000111T1559 R1560 H1561 D1580 G1581 Y1582 C1604T1559-C1657 HydrophobicContact CG2-CB 3.94Å; R1560-C1657 CarbonylContact O-C 3.42Å; R1560-C1657 VanDerWaalsContact O-CA 3.27Å; R1560-C1657 WeakPolarHBondContact O-CA 3.3Å; H1561-C1657 WeakPolarHBondContact ND1-CB 3.25Å; D1580-C1657 CarbonylContact C-O 3.52Å; D1580-C1657 VanDerWaalsContact CA-O 3.23Å; D1580-C1657 WeakPolarHBondContact CA-O 3.34Å; D1580-C1657 WeakPolarHBondContact CB-O 3.34Å; G1581-C1657 PolarHBondContact N-O 2.7Å; G1581-C1657 PolarHBondContact O-N 3.09Å; G1581-C1657 PolarHBondContact O-SG 3.32Å; Y1582-C1657 PolarHBondContact N-SG 2.83Å; Y1582-C1657 VanDerWaalsContact N-SG 3.41Å; Y1582-C1657 PolarHBondContact O-SG 2.75Å; Y1582-C1657 VanDerWaalsContact O-SG 3.4Å; C1604-C1657 WeakPolarHBondContact CA-SG 3.31Å; C1604-C1657 HydrophobicContact CB-CB 3.88Å; C1604-C1657 WeakPolarHBondContact CB-SG 3.48Å; C1604-C1657 WeakPolarHBondContact SG-CB 3.24Å; C1604-C1657 CovalentContact SG-SG 2.04Å; C1604-C1657 PolarHBondContact SG-SG 3.41Å
1658V97.8Very high92.5Very high0 Ų037.1 Ų37.10%018%0.179CC..EExtended strand (participates in β ladder)trans-134.5136.6172.970.50000109.5T1559 R1560 F1562 P1569 K1577 S1579 D1580T1559-V1658 WeakPolarHBondContact CA-O 3.01Å; R1560-V1658 HydrophobicContact CB-CG1 4.08Å; R1560-V1658 PolarHBondContact N-O 3.05Å; R1560-V1658 PolarHBondContact O-N 3.37Å; F1562-V1658 HydrophobicContact CE2-CB 4.42Å; F1562-V1658 HydrophobicContact CE2-CG1 3.72Å; F1562-V1658 HydrophobicContact CZ-CG1 4.49Å; P1569-V1658 HydrophobicContact CB-CB 4.02Å; K1577-V1658 HydrophobicContact CB-CG2 4.45Å; K1577-V1658 HydrophobicContact CD-CG2 3.78Å; K1577-V1658 HydrophobicContact CG-CG2 3.73Å; S1579-V1658 WeakPolarHBondContact O-CA 3.49Å; S1579-V1658 VanDerWaalsContact O-CG2 3.28Å; S1579-V1658 WeakPolarHBondContact O-CG2 3.19Å; D1580-V1658 HydrophobicContact CB-CB 4.41Å; D1580-V1658 HydrophobicContact CB-CG2 4.32Å
1659V97.5Very high93.4Very high5 Ų535.4 Ų35.43%0.0316%0.159CC..EExtended strand (participates in β ladder)trans-97126.3172-175.70000108.5L1557 I1578 S1579 H1601 C1604L1557-V1659 HydrophobicContact CD2-CG1 4.45Å; I1578-V1659 HydrophobicContact CB-CG1 4.44Å; I1578-V1659 PolarHBondContact N-O 3.45Å; S1579-V1659 PolarHBondContact O-N 2.76Å; H1601-V1659 HydrophobicContact CB-CG1 3.76Å; H1601-V1659 HydrophobicContact CB-CG2 4.23Å; C1604-V1659 HydrophobicContact CB-CG2 3.62Å
1660C95.7Very high93.9Very high0 Ų032.9 Ų32.90%015%0.147CC..EExtended strand (participates in β ladder)trans-122.4140.1-173.4-56.70000111.3L1557 F1558 C1571 Q1576L1557-C1660 WeakPolarHBondContact CA-O 3.02Å; F1558-C1660 HydrophobicContact CD1-CB 3.92Å; F1558-C1660 WeakPolarHBondContact CD1-O 3.49Å; F1558-C1660 HydrophobicContact CD2-CB 4.47Å; F1558-C1660 HydrophobicContact CE1-CB 3.32Å; F1558-C1660 HydrophobicContact CE2-CB 3.94Å; F1558-C1660 HydrophobicContact CG-CB 4.47Å; F1558-C1660 HydrophobicContact CZ-CB 3.35Å; F1558-C1660 PolarHBondContact N-O 2.87Å; F1558-C1660 PolarHBondContact O-N 3Å; C1571-C1660 WeakPolarHBondContact CA-SG 3.16Å; C1571-C1660 HydrophobicContact CB-CB 3.96Å; C1571-C1660 WeakPolarHBondContact CB-SG 3.34Å; C1571-C1660 VanDerWaalsContact SG-CA 3.54Å; C1571-C1660 WeakPolarHBondContact SG-CB 3.18Å; C1571-C1660 CovalentContact SG-SG 2.03Å; C1571-C1660 PolarHBondContact SG-SG 2.85Å; Q1576-C1660 CarbonylContact O-C 3.53Å; Q1576-C1660 VanDerWaalsContact O-CA 3.3Å; Q1576-C1660 WeakPolarHBondContact O-CA 3.49Å
1661E94Very high94.1Very high55 Ų5534.4 Ų34.426%0.25716%0.16SC..EExtended strand (participates in β ladder)trans-96.5123.8172.1-172.9169-135.700110.4T1555 L1557 S1575 Q1576 I1578T1555-E1661 WeakPolarHBondContact CB-OE1 3.46Å; T1555-E1661 HydrophobicContact CG2-CG 3.87Å; T1555-E1661 VanDerWaalsContact CG2-OE1 3.24Å; T1555-E1661 WeakPolarHBondContact CG2-OE1 3.37Å; T1555-E1661 PolarHBondContact OG1-OE1 3.48Å; L1557-E1661 HydrophobicContact CD2-CB 4.01Å; L1557-E1661 HydrophobicContact CD2-CG 4.31Å; S1575-E1661 CarbonylContact C-O 3.52Å; S1575-E1661 WeakPolarHBondContact CA-O 3.35Å; S1575-E1661 VanDerWaalsContact CB-O 3.25Å; S1575-E1661 WeakPolarHBondContact CB-O 3.19Å; Q1576-E1661 PolarHBondContact N-O 3.15Å; Q1576-E1661 PolarHBondContact O-N 2.69Å; I1578-E1661 HydrophobicContact CD1-CB 3.93Å; I1578-E1661 HydrophobicContact CG1-CB 3.92Å
1662A91.4Very high94.4Very high2 Ų233.3 Ų33.32%0.01716%0.155CC..EExtended strand (participates in β ladder)trans-116.4153.2-176.600000113.4T1555 Y1556 F1558 T1664 P1666T1555-A1662 WeakPolarHBondContact CA-O 3.3Å; Y1556-A1662 PolarHBondContact N-O 3.2Å; Y1556-A1662 PolarHBondContact O-N 2.75Å; F1558-A1662 HydrophobicContact CD1-CB 3.99Å; F1558-A1662 HydrophobicContact CE1-CB 3.8Å; A1662-T1664 WeakPolarHBondContact CB-O 3.36Å; A1662-T1664 PolarHBondContact O-N 2.88Å; A1662-P1666 HydrophobicContact CB-CG 4.37Å
1663P88.6Confident94.4Very high21 Ų2128 Ų2814%0.13614%0.136CC..SBendtrans-64.1-18.9174.524.1-35000115.3L1552 S1554 G1574 R1785L1552-P1663 HydrophobicContact CD1-CB 3.89Å; L1552-P1663 HydrophobicContact CD2-CB 3.88Å; L1552-P1663 HydrophobicContact CG-CB 4.29Å; S1554-P1663 CarbonylContact O-C 3.3Å; S1554-P1663 VanDerWaalsContact O-O 3.11Å; S1554-P1663 PolarHBondContact OG-O 2.87Å; G1574-P1663 WeakPolarHBondContact O-CD 3.24Å; P1663-R1785 HydrophobicContact CB-CB 4.42Å; P1663-R1785 WeakPolarHBondContact O-CD 3.46Å; P1663-R1785 PolarHBondContact O-NE 3.26Å
1664T91.8Very high94.2Very high20 Ų2029 Ų2912%0.12314%0.144CC..SBendtrans-161.5147.6-165.7330000108A1662 P1666 T1782 K1783 R1785A1662-T1664 WeakPolarHBondContact CB-O 3.36Å; A1662-T1664 PolarHBondContact O-N 2.88Å; T1664-P1666 VanDerWaalsContact O-CD 3.29Å; T1664-P1666 WeakPolarHBondContact O-CD 3.45Å; T1664-T1782 PolarHBondContact O-OG1 3.42Å; T1664-T1782 PolarHBondContact OG1-OG1 2.8Å; T1664-T1782 VanDerWaalsContact OG1-OG1 3.05Å; T1664-K1783 WeakPolarHBondContact CB-O 3.29Å; T1664-K1783 HydrophobicContact CG2-CB 4.27Å; T1664-K1783 WeakPolarHBondContact CG2-O 3.41Å; T1664-K1783 PolarHBondContact OG1-O 3.27Å; T1664-R1785 HydrophobicContact CG2-CG 4.05Å
1665Q92.3Very high93.9Very high81 Ų8133.8 Ų33.838%0.37917%0.166SC..  trans-64123.9-179.1-172.5164.3-10.400111.2Y1556 Y1667Y1556-Q1665 HydrophobicContact CD1-CB 3.6Å; Y1556-Q1665 HydrophobicContact CD1-CG 4.1Å; Y1556-Q1665 HydrophobicContact CD2-CB 4.35Å; Y1556-Q1665 VanDerWaalsContact CD2-N 3.32Å; Y1556-Q1665 HydrophobicContact CE1-CB 3.73Å; Y1556-Q1665 HydrophobicContact CE1-CG 4.39Å; Y1556-Q1665 HydrophobicContact CE2-CB 4.45Å; Y1556-Q1665 HydrophobicContact CG-CB 3.91Å; Q1665-Y1667 HydrophobicContact CB-CD2 4.44Å; Q1665-Y1667 HydrophobicContact CB-CE2 3.76Å; Q1665-Y1667 HydrophobicContact CG-CD2 4.25Å; Q1665-Y1667 HydrophobicContact CG-CE1 4.44Å; Q1665-Y1667 HydrophobicContact CG-CE2 3.69Å; Q1665-Y1667 VanDerWaalsContact O-CD2 3.31Å; Q1665-Y1667 WeakPolarHBondContact O-CD2 3.43Å; Q1665-Y1667 PolarHBondContact OE1-OH 3.13Å
1666P94.7Very high93.5Very high3 Ų335.7 Ų35.72%0.01918%0.176CC..EExtended strand (participates in β ladder)trans-74.6149168.4-14.631.6000111.3F1558 A1662 T1664 L1688 P1711 V1780 C1781F1558-P1666 HydrophobicContact CB-CG 4.17Å; F1558-P1666 HydrophobicContact CD1-CG 3.63Å; F1558-P1666 HydrophobicContact CD2-CG 4.33Å; F1558-P1666 HydrophobicContact CE1-CG 4.04Å; F1558-P1666 HydrophobicContact CG-CG 3.77Å; A1662-P1666 HydrophobicContact CB-CG 4.37Å; T1664-P1666 VanDerWaalsContact O-CD 3.29Å; T1664-P1666 WeakPolarHBondContact O-CD 3.45Å; P1666-L1688 HydrophobicContact CB-CD1 3.76Å; P1666-L1688 HydrophobicContact CG-CD1 3.89Å; P1666-P1711 HydrophobicContact CB-CG 4.04Å; P1666-V1780 HydrophobicContact CB-CG1 4.06Å; P1666-C1781 CarbonylContact C-O 3.54Å; P1666-C1781 VanDerWaalsContact CA-O 3.25Å; P1666-C1781 WeakPolarHBondContact CA-O 3.19Å
1667Y96.6Very high93Very high81 Ų8139.8 Ų39.832%0.31820%0.197SC..EExtended strand (participates in β ladder)trans-135.9145.9177.1-70.2-89.5000110.4Q1665 W1685 S1709 V1780 C1781Q1665-Y1667 HydrophobicContact CB-CD2 4.44Å; Q1665-Y1667 HydrophobicContact CB-CE2 3.76Å; Q1665-Y1667 HydrophobicContact CG-CD2 4.25Å; Q1665-Y1667 HydrophobicContact CG-CE1 4.44Å; Q1665-Y1667 HydrophobicContact CG-CE2 3.69Å; Q1665-Y1667 VanDerWaalsContact O-CD2 3.31Å; Q1665-Y1667 WeakPolarHBondContact O-CD2 3.43Å; Q1665-Y1667 PolarHBondContact OE1-OH 3.13Å; Y1667-W1685 AromaticContact CD2-CH2 3.66Å; Y1667-W1685 HydrophobicContact CD2-CH2 3.66Å; Y1667-W1685 AromaticContact CD2-CZ3 3.75Å; Y1667-W1685 HydrophobicContact CD2-CZ3 3.75Å; Y1667-W1685 HydrophobicContact CE2-CH2 4.13Å; Y1667-S1709 CarbonylContact C-O 3.4Å; Y1667-S1709 VanDerWaalsContact CA-O 3.26Å; Y1667-S1709 WeakPolarHBondContact CA-O 3.35Å; Y1667-S1709 WeakPolarHBondContact CD1-O 3.42Å; Y1667-V1780 WeakPolarHBondContact O-CA 3.33Å; Y1667-C1781 PolarHBondContact N-O 2.91Å; Y1667-C1781 PolarHBondContact O-N 3.41Å
1668A97.5Very high92.3Very high7 Ų744.9 Ų44.96%0.05822%0.221CC..EExtended strand (participates in β ladder)trans-82.2141.9168.100000111S1709 S1710 S1713 C1714 V1780A1668-S1709 PolarHBondContact N-O 3.04Å; A1668-S1710 WeakPolarHBondContact CB-O 3.24Å; A1668-S1713 VanDerWaalsContact CB-OG 3.27Å; A1668-S1713 WeakPolarHBondContact CB-OG 3.45Å; A1668-C1714 HydrophobicContact CB-CB 4.15Å; A1668-V1780 HydrophobicContact CB-CG2 4.24Å
1669F96.9Very high91.7Very high64 Ų6445.1 Ų45.128%0.28122%0.222SC..EExtended strand (participates in β ladder)trans-121.9134.3171.3-66.9-93.9000108.5V1679 P1682 W1685 C1778 R1779 C1781F1669-V1679 HydrophobicContact CB-CG1 4.14Å; F1669-V1679 VanDerWaalsContact O-CG1 3.28Å; F1669-V1679 WeakPolarHBondContact O-CG1 3.43Å; F1669-P1682 HydrophobicContact CD1-CG 4.37Å; F1669-P1682 HydrophobicContact CE1-CG 3.58Å; F1669-P1682 HydrophobicContact CE2-CG 4.23Å; F1669-P1682 HydrophobicContact CZ-CG 3.51Å; F1669-W1685 HydrophobicContact CE2-CE3 4.44Å; F1669-W1685 HydrophobicContact CE2-CZ3 4.38Å; F1669-C1778 CarbonylContact O-C 3.51Å; F1669-C1778 WeakPolarHBondContact O-CA 3.48Å; F1669-C1778 VanDerWaalsContact O-CB 3.24Å; F1669-C1778 WeakPolarHBondContact O-CB 3.47Å; F1669-R1779 PolarHBondContact N-O 2.8Å; F1669-R1779 PolarHBondContact O-N 2.69Å; F1669-C1781 HydrophobicContact CD2-CB 4Å; F1669-C1781 HydrophobicContact CE2-CB 3.86Å
1670H95.8Very high91.4Very high42 Ų4250 Ų5019%0.19425%0.248CC..EExtended strand (participates in β ladder)trans-119.3133.5-179-58.9-84.4000109S1693 L1708 S1713 L1744 C1778H1670-S1693 WeakPolarHBondContact ND1-CB 3.38Å; H1670-S1693 PolarHBondContact ND1-OG 3.1Å; H1670-L1708 PolarHBondContact CD2-O 3.27Å; H1670-L1708 PolarHBondContact NE2-O 2.99Å; H1670-S1713 PolarHBondContact CE1-O 2.63Å; H1670-S1713 PolarHBondContact CE1-OG 3.22Å; H1670-S1713 PolarHBondContact NE2-OG 3.26Å; H1670-L1744 HydrophobicContact CB-CD1 4.13Å; H1670-C1778 WeakPolarHBondContact ND1-CB 3.4Å
1671A90.7Very high91.3Very high36 Ų3651.4 Ų51.430%0.29826%0.258SS..  trans-91.7-13.7178.800000114A1673 E1678 V1679 R1777A1671-A1673 HydrophobicContact CB-CB 3.87Å; A1671-A1673 PolarHBondContact O-N 3.13Å; A1671-A1673 VanDerWaalsContact O-N 3.15Å; A1671-E1678 HydrophobicContact CB-CB 4.07Å; A1671-V1679 HydrophobicContact CB-CB 4.28Å; A1671-V1679 HydrophobicContact CB-CG2 3.55Å; A1671-R1777 PolarHBondContact N-O 3.46Å
1672Q92.5Very high91.3Very high86 Ų8651 Ų5140%0.40226%0.26SS..SBendtrans52.128.6-162.9-70.1172-124.300112.5L1744 H1746 V1747 S1776Q1672-L1744 HydrophobicContact CG-CD1 4.45Å; Q1672-L1744 HydrophobicContact CG-CD2 4.48Å; Q1672-H1746 CarbonylContact O-C 3.6Å; Q1672-H1746 VanDerWaalsContact O-CA 3.24Å; Q1672-H1746 WeakPolarHBondContact O-CA 3.46Å; Q1672-H1746 PolarHBondContact O-CD2 3.3Å; Q1672-V1747 PolarHBondContact O-N 3.04Å; Q1672-S1776 VanDerWaalsContact CA-OG 3.28Å; Q1672-S1776 WeakPolarHBondContact CA-OG 3.15Å; Q1672-S1776 PolarHBondContact N-OG 2.81Å; Q1672-S1776 VanDerWaalsContact N-OG 3.08Å
1673A90.6Very high91.4Very high4 Ų460 Ų603%0.03330%0.301CS..SBendtrans-126.2155.718000000110.7A1671 E1678 S1776 R1777A1671-A1673 HydrophobicContact CB-CB 3.87Å; A1671-A1673 PolarHBondContact O-N 3.13Å; A1671-A1673 VanDerWaalsContact O-N 3.15Å; A1673-E1678 HydrophobicContact CB-CB 4.03Å; A1673-E1678 VanDerWaalsContact CB-CD 3.42Å; A1673-E1678 HydrophobicContact CB-CG 4.31Å; A1673-E1678 WeakPolarHBondContact CB-OE1 3.09Å; A1673-E1678 WeakPolarHBondContact CB-OE2 3.43Å; A1673-S1776 WeakPolarHBondContact O-CA 3.34Å; A1673-R1777 PolarHBondContact O-N 3.07Å
1674N88.1Confident91.4Very high47 Ų4760.1 Ų60.125%0.25131%0.307SS..SBendtrans-86.4-12.717969.814.7000113.8H1746 R1773 R1777N1674-H1746 HydrophobicContact CB-CB 4.23Å; N1674-H1746 PolarHBondContact ND2-ND1 3.24Å; N1674-R1773 VanDerWaalsContact CB-O 3.31Å; N1674-R1773 WeakPolarHBondContact CB-O 3.35Å; N1674-R1773 PolarHBondContact ND2-O 2.71Å; N1674-R1777 WeakPolarHBondContact O-CG 3.45Å
1675Q88.9Confident91.5Very high103 Ų10362.1 Ų62.148%0.48131%0.312SS..  trans-94.2135.7175.7-54.8-157.8-2.800112.1Q1677 E1678Q1675-Q1677 VanDerWaalsContact C-N 3.29Å; Q1675-Q1677 PolarHBondContact O-N 2.81Å; Q1675-E1678 HydrophobicContact CB-CG 4.36Å; Q1675-E1678 WeakPolarHBondContact CB-OE1 3.46Å; Q1675-E1678 PolarHBondContact O-N 3.5Å
1676L87Confident91.5Very high40 Ų4060.3 Ų60.321%0.20931%0.311CS..THydrogen-bonded Turntrans-75-20.1178.8-170.466.3000112.4E1678 V1679 D1690 R1777L1676-E1678 PolarHBondContact O-N 3.44Å; L1676-V1679 HydrophobicContact CD1-CG2 4.35Å; L1676-V1679 PolarHBondContact O-N 2.83Å; L1676-D1690 HydrophobicContact CD1-CB 3.98Å; L1676-D1690 HydrophobicContact CD2-CB 3.78Å; L1676-D1690 HydrophobicContact CG-CB 4.47Å; L1676-R1777 HydrophobicContact CD1-CB 4.19Å
1677Q86.9Confident91.5Very high139 Ų13967.9 Ų67.965%0.6534%0.339SS*.THydrogen-bonded Turntrans-63.5-23.4173.8-67.988.7-2300113Q1675 N1680Q1675-Q1677 VanDerWaalsContact C-N 3.29Å; Q1675-Q1677 PolarHBondContact O-N 2.81Å; Q1677-N1680 PolarHBondContact O-ND2 3.02Å
1678E83Confident91.3Very high107 Ų10765.2 Ų65.250%0.533%0.33SS..THydrogen-bonded Turntrans-80.1-27.2179.3-63.6178.9-112.800111.6A1671 A1673 Q1675 L1676 N1680A1671-E1678 HydrophobicContact CB-CB 4.07Å; A1673-E1678 HydrophobicContact CB-CB 4.03Å; A1673-E1678 VanDerWaalsContact CB-CD 3.42Å; A1673-E1678 HydrophobicContact CB-CG 4.31Å; A1673-E1678 WeakPolarHBondContact CB-OE1 3.09Å; A1673-E1678 WeakPolarHBondContact CB-OE2 3.43Å; Q1675-E1678 HydrophobicContact CB-CG 4.36Å; Q1675-E1678 WeakPolarHBondContact CB-OE1 3.46Å; Q1675-E1678 PolarHBondContact O-N 3.5Å; L1676-E1678 PolarHBondContact O-N 3.44Å; E1678-N1680 PolarHBondContact O-N 2.77Å; E1678-N1680 VanDerWaalsContact O-N 3.16Å; E1678-N1680 PolarHBondContact O-ND2 3.12Å
1679V85.4Confident91.2Very high4 Ų465.6 Ų65.62%0.02433%0.33CS..  trans-83.489.4177.2-155.80000110.9F1669 A1671 L1676 R1777 R1779F1669-V1679 HydrophobicContact CB-CG1 4.14Å; F1669-V1679 VanDerWaalsContact O-CG1 3.28Å; F1669-V1679 WeakPolarHBondContact O-CG1 3.43Å; A1671-V1679 HydrophobicContact CB-CB 4.28Å; A1671-V1679 HydrophobicContact CB-CG2 3.55Å; L1676-V1679 HydrophobicContact CD1-CG2 4.35Å; L1676-V1679 PolarHBondContact O-N 2.83Å; V1679-R1777 HydrophobicContact CG2-CB 3.85Å; V1679-R1779 HydrophobicContact CB-CB 4.13Å; V1679-R1779 HydrophobicContact CG1-CB 3.61Å; V1679-R1779 WeakPolarHBondContact O-CD 3.39Å; V1679-R1779 PolarHBondContact O-NH1 2.85Å
1680N90.3Very high91.2Very high108 Ų10863.9 Ų63.958%0.57832%0.324SS*.PPolyproline II helixtrans-98.8137.1177.3-69.3-79.2000111.7Q1677 E1678Q1677-N1680 PolarHBondContact O-ND2 3.02Å; E1678-N1680 PolarHBondContact O-N 2.77Å; E1678-N1680 VanDerWaalsContact O-N 3.16Å; E1678-N1680 PolarHBondContact O-ND2 3.12Å
1681C94.5Very high91.1Very high30 Ų3061.9 Ų61.920%0.20331%0.314CS..PPolyproline II helixtrans-63.4144.7167.3-69.40000109.7W1685 R1779 C1781C1681-W1685 HydrophobicContact CB-CB 4.08Å; C1681-R1779 VanDerWaalsContact SG-CD 3.53Å; C1681-C1781 WeakPolarHBondContact CA-SG 3.13Å; C1681-C1781 HydrophobicContact CB-CB 3.82Å; C1681-C1781 WeakPolarHBondContact CB-SG 3.48Å; C1681-C1781 WeakPolarHBondContact SG-CB 3.35Å; C1681-C1781 CovalentContact SG-SG 2.03Å; C1681-C1781 PolarHBondContact SG-SG 3.3Å
1682P94.3Very high91.3Very high47 Ų4761.7 Ų61.731%0.30531%0.306SS..PPolyproline II helixtrans-61.4158.3175.9-19.130.6000112.1F1669 G1684 W1685F1669-P1682 HydrophobicContact CD1-CG 4.37Å; F1669-P1682 HydrophobicContact CE1-CG 3.58Å; F1669-P1682 HydrophobicContact CE2-CG 4.23Å; F1669-P1682 HydrophobicContact CZ-CG 3.51Å; P1682-G1684 PolarHBondContact O-N 3.18Å; P1682-W1685 HydrophobicContact CB-CG 4.21Å; P1682-W1685 HydrophobicContact CG-CD2 4.42Å; P1682-W1685 HydrophobicContact CG-CG 4.39Å; P1682-W1685 VanDerWaalsContact O-CB 3.28Å; P1682-W1685 WeakPolarHBondContact O-CB 3.18Å; P1682-W1685 VanDerWaalsContact O-CD1 3.29Å; P1682-W1685 PolarHBondContact O-N 2.8Å
1683E92.2Very high91.5Very high190 Ų19057.6 Ų57.689%0.88829%0.287SS*.THydrogen-bonded Turntrans-60.8130.9-177.4-170.7169.1-166.400111.8
1684G89.9Confident91.8Very high24 Ų2457.5 Ų57.525%0.24729%0.286CS..THydrogen-bonded Turntrans82.414.7-173.100000115.3P1682 S1784P1682-G1684 PolarHBondContact O-N 3.18Å; G1684-S1784 VanDerWaalsContact O-CB 3.27Å; G1684-S1784 WeakPolarHBondContact O-CB 3.29Å; G1684-S1784 PolarHBondContact O-N 3.23Å; G1684-S1784 PolarHBondContact O-OG 3.27Å
1685W93.6Very high92.2Very high62 Ų6257 Ų5724%0.23529%0.285CS..EExtended strand (participates in β ladder)trans-113.5144175-63.559.7000111.7Y1667 F1669 C1681 P1682 C1781 T1782 K1783Y1667-W1685 AromaticContact CD2-CH2 3.66Å; Y1667-W1685 HydrophobicContact CD2-CH2 3.66Å; Y1667-W1685 AromaticContact CD2-CZ3 3.75Å; Y1667-W1685 HydrophobicContact CD2-CZ3 3.75Å; Y1667-W1685 HydrophobicContact CE2-CH2 4.13Å; F1669-W1685 HydrophobicContact CE2-CE3 4.44Å; F1669-W1685 HydrophobicContact CE2-CZ3 4.38Å; C1681-W1685 HydrophobicContact CB-CB 4.08Å; P1682-W1685 HydrophobicContact CB-CG 4.21Å; P1682-W1685 HydrophobicContact CG-CD2 4.42Å; P1682-W1685 HydrophobicContact CG-CG 4.39Å; P1682-W1685 VanDerWaalsContact O-CB 3.28Å; P1682-W1685 WeakPolarHBondContact O-CB 3.18Å; P1682-W1685 VanDerWaalsContact O-CD1 3.29Å; P1682-W1685 PolarHBondContact O-N 2.8Å; W1685-C1781 HydrophobicContact CB-CB 4.28Å; W1685-C1781 HydrophobicContact CE3-CB 3.9Å; W1685-T1782 CarbonylContact C-O 3.5Å; W1685-T1782 VanDerWaalsContact CA-O 3.3Å; W1685-T1782 WeakPolarHBondContact CA-O 3.09Å; W1685-T1782 WeakPolarHBondContact CB-O 3.47Å; W1685-K1783 HydrophobicContact CD2-CB 3.75Å; W1685-K1783 HydrophobicContact CD2-CG 4.3Å; W1685-K1783 HydrophobicContact CE3-CB 4.02Å; W1685-K1783 HydrophobicContact CG-CB 4.29Å; W1685-K1783 HydrophobicContact CG-CG 4.49Å; W1685-K1783 HydrophobicContact CH2-CB 4.11Å; W1685-K1783 HydrophobicContact CZ2-CB 3.88Å; W1685-K1783 HydrophobicContact CZ2-CD 4.21Å; W1685-K1783 HydrophobicContact CZ2-CG 4.32Å; W1685-K1783 HydrophobicContact CZ3-CB 4.18Å
1686A92.5Very high92.4Very high42 Ų4256 Ų5635%0.34728%0.281SS..EExtended strand (participates in β ladder)trans-93.814217200000110.5C1781 T1782A1686-C1781 CarbonylContact O-C 3.46Å; A1686-C1781 VanDerWaalsContact O-CA 3.23Å; A1686-C1781 WeakPolarHBondContact O-CA 3.48Å; A1686-T1782 PolarHBondContact N-O 2.71Å; A1686-T1782 PolarHBondContact O-N 2.65Å
1687R93.6Very high92.7Very high163 Ų16354 Ų5462%0.61527%0.271SS*.EExtended strand (participates in β ladder)trans-73.5146.7168.578.4169-177.4158.9-0.2110.3D1690 R1779R1687-D1690 IonicContact CZ-OD2 2.79Å; R1687-D1690 IonicContact NH1-OD2 2.69Å; R1687-D1690 PolarHBondContact NH1-OD2 2.63Å; R1687-R1779 HydrophobicContact CB-CG 4.25Å
1688L94.2Very high92.8Very high25 Ų2548 Ų4813%0.13124%0.244CC..EExtended strand (participates in β ladder)trans-107.1-53.2171.1-56.3-171000110.9F1558 P1572 P1666 V1780 T1782F1558-L1688 HydrophobicContact CE2-CD1 4.24Å; F1558-L1688 HydrophobicContact CZ-CD1 4.09Å; P1572-L1688 HydrophobicContact CB-CB 4.12Å; P1572-L1688 HydrophobicContact CB-CD2 3.88Å; P1572-L1688 HydrophobicContact CB-CG 4.41Å; P1572-L1688 HydrophobicContact CG-CB 4.15Å; P1666-L1688 HydrophobicContact CB-CD1 3.76Å; P1666-L1688 HydrophobicContact CG-CD1 3.89Å; L1688-V1780 HydrophobicContact CB-CG1 4.38Å; L1688-V1780 HydrophobicContact CD1-CG1 4.21Å; L1688-V1780 PolarHBondContact N-O 3.33Å; L1688-T1782 HydrophobicContact CD1-CG2 4.38Å; L1688-T1782 HydrophobicContact CD2-CG2 3.84Å; L1688-T1782 HydrophobicContact CG-CG2 4.34Å
1689W94.7Very high92.9Very high14 Ų1443.1 Ų43.15%0.05322%0.221CC..EExtended strand (participates in β ladder)trans-152.8174172.866.591.9000112.3F1558 R1560 P1572 P1711 C1714 E1716 R1779 V1780F1558-W1689 HydrophobicContact CD2-CH2 4.07Å; F1558-W1689 HydrophobicContact CD2-CZ3 4.19Å; F1558-W1689 HydrophobicContact CE2-CH2 4.07Å; F1558-W1689 AromaticContact CE2-CZ3 3.74Å; F1558-W1689 HydrophobicContact CE2-CZ3 3.74Å; R1560-W1689 HydrophobicContact CB-CH2 4.01Å; R1560-W1689 HydrophobicContact CB-CZ3 4.13Å; R1560-W1689 HydrophobicContact CG-CD2 4.42Å; R1560-W1689 HydrophobicContact CG-CE3 4.19Å; R1560-W1689 HydrophobicContact CG-CH2 4.12Å; R1560-W1689 HydrophobicContact CG-CZ2 4.33Å; R1560-W1689 HydrophobicContact CG-CZ3 4.08Å; P1572-W1689 HydrophobicContact CG-CE3 4.18Å; P1572-W1689 HydrophobicContact CG-CZ3 4.15Å; W1689-P1711 HydrophobicContact CH2-CB 3.71Å; W1689-P1711 HydrophobicContact CZ2-CB 3.73Å; W1689-C1714 PolarHBondContact NE1-O 3.45Å; W1689-E1716 HydrophobicContact CB-CG 4.2Å; W1689-E1716 HydrophobicContact CG-CG 3.94Å; W1689-R1779 WeakPolarHBondContact O-CA 3.46Å; W1689-V1780 HydrophobicContact CD2-CB 3.91Å; W1689-V1780 HydrophobicContact CD2-CG2 4.03Å; W1689-V1780 VanDerWaalsContact CE2-CG2 3.45Å; W1689-V1780 HydrophobicContact CE3-CB 4.17Å; W1689-V1780 HydrophobicContact CE3-CG1 4.33Å; W1689-V1780 HydrophobicContact CG-CB 4.43Å; W1689-V1780 HydrophobicContact CG-CG2 4.49Å; W1689-V1780 HydrophobicContact CH2-CB 4.34Å; W1689-V1780 HydrophobicContact CH2-CG1 3.98Å; W1689-V1780 HydrophobicContact CH2-CG2 4.32Å; W1689-V1780 HydrophobicContact CZ2-CB 4.1Å; W1689-V1780 HydrophobicContact CZ2-CG1 4.17Å; W1689-V1780 HydrophobicContact CZ2-CG2 3.65Å; W1689-V1780 HydrophobicContact CZ3-CB 4.34Å; W1689-V1780 HydrophobicContact CZ3-CG1 4.04Å; W1689-V1780 PolarHBondContact O-N 2.82Å
1690D95.7Very high92.8Very high28 Ų2845.2 Ų45.215%0.1524%0.244CC..EExtended strand (participates in β ladder)trans-128145.8-175.3-74.8-44.1000109.8L1676 R1687 R1779L1676-D1690 HydrophobicContact CD1-CB 3.98Å; L1676-D1690 HydrophobicContact CD2-CB 3.78Å; L1676-D1690 HydrophobicContact CG-CB 4.47Å; R1687-D1690 IonicContact CZ-OD2 2.79Å; R1687-D1690 IonicContact NH1-OD2 2.69Å; R1687-D1690 PolarHBondContact NH1-OD2 2.63Å; D1690-R1779 VanDerWaalsContact CG-NH2 3.29Å; D1690-R1779 WeakPolarHBondContact OD1-CB 3.28Å; D1690-R1779 WeakPolarHBondContact OD1-CG 3.39Å; D1690-R1779 IonicContact OD1-CZ 3.81Å; D1690-R1779 IonicContact OD1-NE 2.7Å; D1690-R1779 PolarHBondContact OD1-NE 3.22Å; D1690-R1779 IonicContact OD1-NH2 2.7Å; D1690-R1779 PolarHBondContact OD1-NH2 3.24Å; D1690-R1779 IonicContact OD2-CZ 3.99Å; D1690-R1779 IonicContact OD2-NE 2.96Å; D1690-R1779 IonicContact OD2-NH2 3.98Å; D1690-R1779 PolarHBondContact OD2-NH2 3.07Å
1691G94.9Very high92.3Very high0 Ų046.2 Ų46.20%026%0.259CS..EExtended strand (participates in β ladder)trans-169-152.5-170.500000116.6L1715 R1777 C1778G1691-L1715 CarbonylContact C-O 3.6Å; G1691-L1715 WeakPolarHBondContact CA-O 3.44Å; G1691-R1777 PolarHBondContact O-NE 2.8Å; G1691-R1777 PolarHBondContact O-NH2 3.28Å; G1691-C1778 PolarHBondContact N-O 2.66Å; G1691-C1778 PolarHBondContact O-N 3.3Å
1692Y95.4Very high91.7Very high33 Ų3347.3 Ų47.313%0.12927%0.265CS..EExtended strand (participates in β ladder)trans-124.7142.7-178.5-62.3-87.9000111.1F1694 L1715 F1718 L1772 I1775 C1778Y1692-F1694 PolarHBondContact O-N 2.92Å; Y1692-L1715 PolarHBondContact N-O 2.71Å; Y1692-L1715 PolarHBondContact O-N 3.44Å; Y1692-F1718 HydrophobicContact CD1-CB 4.23Å; Y1692-F1718 HydrophobicContact CD2-CB 3.9Å; Y1692-F1718 HydrophobicContact CE2-CB 4.2Å; Y1692-F1718 HydrophobicContact CG-CB 3.92Å; Y1692-L1772 HydrophobicContact CD1-CD2 4.26Å; Y1692-L1772 HydrophobicContact CE1-CD2 3.69Å; Y1692-I1775 HydrophobicContact CD1-CG2 3.92Å; Y1692-C1778 PolarHBondContact N-SG 2.82Å; Y1692-C1778 PolarHBondContact O-SG 3.3Å; Y1692-C1778 VanDerWaalsContact O-SG 3.38Å
1693S96.8Very high91.3Very high0 Ų046.7 Ų46.70%027%0.267CS..EExtended strand (participates in β ladder)trans-82.384.2-167.1-54.40000112.4H1670 S1713 Y1743 L1744 S1776 R1777H1670-S1693 WeakPolarHBondContact ND1-CB 3.38Å; H1670-S1693 PolarHBondContact ND1-OG 3.1Å; S1693-S1713 CarbonylContact C-O 3.6Å; S1693-Y1743 CarbonylContact O-C 3.54Å; S1693-Y1743 WeakPolarHBondContact O-CA 3.13Å; S1693-Y1743 WeakPolarHBondContact O-CB 3.41Å; S1693-L1744 PolarHBondContact O-N 2.85Å; S1693-S1776 VanDerWaalsContact CB-O 3.25Å; S1693-S1776 WeakPolarHBondContact CB-O 3.47Å; S1693-S1776 PolarHBondContact N-O 2.95Å; S1693-S1776 VanDerWaalsContact OG-C 3.25Å; S1693-S1776 VanDerWaalsContact OG-CB 3.31Å; S1693-S1776 WeakPolarHBondContact OG-CB 3.49Å; S1693-S1776 PolarHBondContact OG-O 2.91Å; S1693-S1776 PolarHBondContact OG-OG 2.77Å; S1693-R1777 PolarHBondContact OG-O 3.42Å
1694F96Very high91.3Very high1 Ų138 Ų380%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-78.6130.7176.2-179-127.6000110.8L1598 Y1692 M1696 H1697 Q1706 S1713 L1715 P1722 A1741 Y1743L1598-F1694 HydrophobicContact CD1-CD1 4.21Å; L1598-F1694 HydrophobicContact CD1-CE1 3.89Å; Y1692-F1694 PolarHBondContact O-N 2.92Å; F1694-M1696 WeakPolarHBondContact CE2-O 3.45Å; F1694-H1697 AromaticContact CE1-ND1 3.94Å; F1694-H1697 HydrophobicContact CE2-CB 4.36Å; F1694-H1697 HydrophobicContact CZ-CB 3.99Å; F1694-H1697 AromaticContact CZ-ND1 3.49Å; F1694-H1697 WeakPolarHBondContact CZ-ND1 3.24Å; F1694-Q1706 HydrophobicContact CD1-CG 3.75Å; F1694-Q1706 HydrophobicContact CE1-CG 3.92Å; F1694-S1713 PolarHBondContact N-O 2.93Å; F1694-S1713 VanDerWaalsContact O-CA 3.24Å; F1694-S1713 WeakPolarHBondContact O-CA 3.11Å; F1694-S1713 WeakPolarHBondContact O-CB 3.06Å; F1694-L1715 HydrophobicContact CB-CD1 3.85Å; F1694-L1715 HydrophobicContact CB-CG 3.91Å; F1694-L1715 HydrophobicContact CD1-CD1 3.74Å; F1694-L1715 HydrophobicContact CD1-CG 4.06Å; F1694-L1715 HydrophobicContact CD2-CD1 4.28Å; F1694-L1715 HydrophobicContact CE1-CD1 4.3Å; F1694-L1715 HydrophobicContact CG-CD1 3.71Å; F1694-L1715 HydrophobicContact CG-CG 4.18Å; F1694-P1722 HydrophobicContact CE2-CG 4.34Å; F1694-A1741 HydrophobicContact CE2-CB 3.93Å; F1694-Y1743 HydrophobicContact CB-CD1 4.06Å; F1694-Y1743 HydrophobicContact CB-CE1 3.95Å; F1694-Y1743 HydrophobicContact CD2-CD1 4.35Å; F1694-Y1743 HydrophobicContact CD2-CE1 4.02Å; F1694-Y1743 HydrophobicContact CG-CE1 4.4Å
1695V95.9Very high91.3Very high38 Ų3838.7 Ų38.723%0.2324%0.236CC..EExtended strand (participates in β ladder)trans-113.1-51.3-171.8-172.10000111.4G1705 Q1706 L1708 Y1742 L1744V1695-G1705 WeakPolarHBondContact O-CA 3.13Å; V1695-Q1706 PolarHBondContact O-N 3.48Å; V1695-L1708 HydrophobicContact CG1-CD2 4.34Å; V1695-L1708 HydrophobicContact CG2-CD2 4.16Å; V1695-Y1742 PolarHBondContact N-O 3.2Å; V1695-L1744 HydrophobicContact CG2-CB 4.26Å; V1695-L1744 HydrophobicContact CG2-CG 3.75Å
1696M94.2Very high91.3Very high80 Ų8036.4 Ų36.439%0.39423%0.228SC..EExtended strand (participates in β ladder)trans-159.8167.1-17461.2177.6-71.600111.1F1694 G1704 Y1742F1694-M1696 WeakPolarHBondContact CE2-O 3.45Å; M1696-G1704 CarbonylContact C-O 3.56Å; M1696-G1704 VanDerWaalsContact CA-O 3.23Å; M1696-G1704 WeakPolarHBondContact CA-O 3.48Å; M1696-G1704 VanDerWaalsContact CB-O 3.26Å; M1696-G1704 WeakPolarHBondContact CB-O 3.36Å; M1696-Y1742 HydrophobicContact CE-CD2 4.33Å; M1696-Y1742 HydrophobicContact CE-CE2 4.37Å; M1696-Y1742 HydrophobicContact CG-CD2 3.75Å; M1696-Y1742 HydrophobicContact CG-CG 3.79Å; M1696-Y1742 PolarHBondContact N-O 3.32Å; M1696-Y1742 PolarHBondContact O-N 2.78Å; M1696-Y1742 HydrophobicContact SD-CD2 4.47Å; M1696-Y1742 HydrophobicContact SD-CG 4.44Å
1697H92.4Very high91.5Very high0 Ų040.8 Ų40.80%024%0.241CC..EExtended strand (participates in β ladder)trans-139.8151.1176.749-96.2000110V1585 M1586 F1694 G1703 G1704 L1723 K1740V1585-H1697 WeakPolarHBondContact CG1-CE1 3.26Å; M1586-H1697 PolarHBondContact SD-CD2 3.29Å; M1586-H1697 PolarHBondContact SD-NE2 2.66Å; F1694-H1697 AromaticContact CE1-ND1 3.94Å; F1694-H1697 HydrophobicContact CE2-CB 4.36Å; F1694-H1697 HydrophobicContact CZ-CB 3.99Å; F1694-H1697 AromaticContact CZ-ND1 3.49Å; F1694-H1697 WeakPolarHBondContact CZ-ND1 3.24Å; H1697-G1703 CarbonylContact O-C 3.49Å; H1697-G1703 WeakPolarHBondContact O-CA 3.2Å; H1697-G1704 PolarHBondContact CD2-N 3.39Å; H1697-G1704 PolarHBondContact N-O 2.91Å; H1697-G1704 VanDerWaalsContact NE2-CA 3.34Å; H1697-G1704 WeakPolarHBondContact NE2-CA 2.85Å; H1697-G1704 PolarHBondContact NE2-N 2.75Å; H1697-G1704 PolarHBondContact O-N 3.21Å; H1697-L1723 HydrophobicContact CB-CD1 3.59Å; H1697-L1723 HydrophobicContact CB-CD2 4.15Å; H1697-K1740 CarbonylContact C-O 3.5Å; H1697-K1740 WeakPolarHBondContact CA-O 2.98Å
1698S89.8Confident91.6Very high12 Ų1236.5 Ų36.58%0.08423%0.23CC..EExtended strand (participates in β ladder)trans-137.3157.8173.3700000111.6T1702 A1739 K1740S1698-T1702 CarbonylContact C-O 3.36Å; S1698-T1702 VanDerWaalsContact CA-O 3.24Å; S1698-T1702 WeakPolarHBondContact CA-O 3.3Å; S1698-T1702 WeakPolarHBondContact CB-O 3.22Å; S1698-A1739 CarbonylContact O-C 3.11Å; S1698-A1739 VanDerWaalsContact O-CA 3.28Å; S1698-A1739 WeakPolarHBondContact O-CA 3.07Å; S1698-K1740 PolarHBondContact N-O 3.22Å; S1698-K1740 PolarHBondContact O-N 3.33Å
1699V85.3Confident91.7Very high4 Ų438 Ų382%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-138.1116.1172.5-159.50000105.1M1586 Y1632 S1701 T1702 D1738M1586-V1699 HydrophobicContact CE-CG2 4.08Å; M1586-V1699 HydrophobicContact SD-CG2 4.32Å; Y1632-V1699 HydrophobicContact CD1-CG2 4.12Å; Y1632-V1699 HydrophobicContact CE1-CB 4.25Å; Y1632-V1699 HydrophobicContact CE1-CG1 3.92Å; Y1632-V1699 HydrophobicContact CE1-CG2 3.63Å; V1699-S1701 PolarHBondContact O-N 2.74Å; V1699-T1702 PolarHBondContact N-O 3.26Å; V1699-T1702 PolarHBondContact O-N 3.02Å; V1699-T1702 VanDerWaalsContact O-N 3.1Å; V1699-T1702 PolarHBondContact O-OG1 3.18Å; V1699-D1738 WeakPolarHBondContact CG1-OD2 3.36Å
1700G82Confident91.8Very high49 Ų4938 Ų3851%0.50525%0.245SC..THydrogen-bonded Turntrans50.8-125.8-157.800000112.4D1738G1700-D1738 PolarHBondContact N-OD2 3.11Å
1701S80.4Confident91.9Very high129 Ų12937.2 Ų37.290%0.90224%0.241SC*.THydrogen-bonded Turntrans-91.6-7176.553.10000114.6V1699V1699-S1701 PolarHBondContact O-N 2.74Å
1702T81.9Confident92Very high53 Ų5337.3 Ų37.333%0.32524%0.242SC..EExtended strand (participates in β ladder)trans-97.4147.1-178.944.60000111.1S1698 V1699S1698-T1702 CarbonylContact C-O 3.36Å; S1698-T1702 VanDerWaalsContact CA-O 3.24Å; S1698-T1702 WeakPolarHBondContact CA-O 3.3Å; S1698-T1702 WeakPolarHBondContact CB-O 3.22Å; V1699-T1702 PolarHBondContact N-O 3.26Å; V1699-T1702 PolarHBondContact O-N 3.02Å; V1699-T1702 VanDerWaalsContact O-N 3.1Å; V1699-T1702 PolarHBondContact O-OG1 3.18Å
1703G87Confident92.1Very high33 Ų3335.7 Ų35.734%0.3424%0.236SC..EExtended strand (participates in β ladder)trans-174.9175-175.800000115.1L1593 H1697L1593-G1703 VanDerWaalsContact CD2-N 3.34Å; L1593-G1703 VanDerWaalsContact CD2-O 3.3Å; L1593-G1703 WeakPolarHBondContact CD2-O 3.14Å; H1697-G1703 CarbonylContact O-C 3.49Å; H1697-G1703 WeakPolarHBondContact O-CA 3.2Å
1704G90.4Very high92.1Very high7 Ų735.9 Ų35.97%0.07224%0.237CC..EExtended strand (participates in β ladder)trans-132.6158.5-178.600000112.6M1696 H1697M1696-G1704 CarbonylContact C-O 3.56Å; M1696-G1704 VanDerWaalsContact CA-O 3.23Å; M1696-G1704 WeakPolarHBondContact CA-O 3.48Å; M1696-G1704 VanDerWaalsContact CB-O 3.26Å; M1696-G1704 WeakPolarHBondContact CB-O 3.36Å; H1697-G1704 PolarHBondContact CD2-N 3.39Å; H1697-G1704 PolarHBondContact N-O 2.91Å; H1697-G1704 VanDerWaalsContact NE2-CA 3.34Å; H1697-G1704 WeakPolarHBondContact NE2-CA 2.85Å; H1697-G1704 PolarHBondContact NE2-N 2.75Å; H1697-G1704 PolarHBondContact O-N 3.21Å
1705G90.8Very high92.1Very high40 Ų4036.1 Ų36.141%0.41224%0.238SC..EExtended strand (participates in β ladder)trans-121.4161.9-179.100000112.2V1695V1695-G1705 WeakPolarHBondContact O-CA 3.13Å
1706Q94.3Very high92Very high13 Ų1336.4 Ų36.46%0.06124%0.237CC..  trans-109.6141.2169.2-56.3-58.9-65.500108.2M1596 L1598 F1694 V1695 L1708M1596-Q1706 PolarHBondContact O-NE2 2.84Å; M1596-Q1706 VanDerWaalsContact O-NE2 3.09Å; L1598-Q1706 VanDerWaalsContact CB-OE1 3.25Å; F1694-Q1706 HydrophobicContact CD1-CG 3.75Å; F1694-Q1706 HydrophobicContact CE1-CG 3.92Å; V1695-Q1706 PolarHBondContact O-N 3.48Å; Q1706-L1708 PolarHBondContact O-N 2.95Å
1707Q95.3Very high91.9Very high134 Ų13437.2 Ų37.263%0.62624%0.236SC*.  trans-69.6127.3167.8-70.8-169.5-19.300108.8D1597 S1709 S1710D1597-Q1707 PolarHBondContact OD2-N 2.87Å; D1597-Q1707 VanDerWaalsContact OD2-N 3.15Å; Q1707-S1709 PolarHBondContact O-N 3.36Å; Q1707-S1710 VanDerWaalsContact O-CB 3.26Å; Q1707-S1710 WeakPolarHBondContact O-CB 3.41Å; Q1707-S1710 PolarHBondContact O-N 3.23Å
1708L96.8Very high91.9Very high74 Ų7439 Ų3939%0.38724%0.244SC..THydrogen-bonded Turntrans-62.3-15.6-179.4-66.6176.9000113.8H1670 V1695 Q1706 S1713 L1744H1670-L1708 PolarHBondContact CD2-O 3.27Å; H1670-L1708 PolarHBondContact NE2-O 2.99Å; V1695-L1708 HydrophobicContact CG1-CD2 4.34Å; V1695-L1708 HydrophobicContact CG2-CD2 4.16Å; Q1706-L1708 PolarHBondContact O-N 2.95Å; L1708-S1713 PolarHBondContact O-OG 3.48Å; L1708-L1744 HydrophobicContact CD1-CD1 4.24Å; L1708-L1744 HydrophobicContact CD2-CD1 3.95Å
1709S96.5Very high91.8Very high56 Ų5639.6 Ų39.639%0.39225%0.248SC..THydrogen-bonded Turntrans-87.7-17.9172.153.20000113.2Y1667 A1668 Q1707Y1667-S1709 CarbonylContact C-O 3.4Å; Y1667-S1709 VanDerWaalsContact CA-O 3.26Å; Y1667-S1709 WeakPolarHBondContact CA-O 3.35Å; Y1667-S1709 WeakPolarHBondContact CD1-O 3.42Å; A1668-S1709 PolarHBondContact N-O 3.04Å; Q1707-S1709 PolarHBondContact O-N 3.36Å
1710S97.2Very high91.9Very high15 Ų1545.6 Ų45.611%0.10527%0.271CS..SBendtrans-78144.1179.8179.50000111.4D1597 G1599 A1668 Q1707 G1712 S1713D1597-S1710 VanDerWaalsContact OD1-CB 3.3Å; D1597-S1710 WeakPolarHBondContact OD1-CB 3.2Å; D1597-S1710 PolarHBondContact OD1-OG 3.45Å; D1597-S1710 WeakPolarHBondContact OD2-CB 3.27Å; D1597-S1710 PolarHBondContact OD2-OG 3.31Å; G1599-S1710 WeakPolarHBondContact CA-OG 3.18Å; A1668-S1710 WeakPolarHBondContact CB-O 3.24Å; Q1707-S1710 VanDerWaalsContact O-CB 3.26Å; Q1707-S1710 WeakPolarHBondContact O-CB 3.41Å; Q1707-S1710 PolarHBondContact O-N 3.23Å; S1710-G1712 PolarHBondContact O-N 2.99Å; S1710-G1712 PolarHBondContact OG-N 2.88Å; S1710-S1713 PolarHBondContact O-N 3.26Å; S1710-S1713 VanDerWaalsContact O-N 3.1Å; S1710-S1713 PolarHBondContact O-OG 2.81Å
1711P97.1Very high92.1Very high10 Ų1044 Ų447%0.06525%0.252CS..G310 helixtrans-50.4-25.2168.6-27.736.3000114.6P1666 W1689 S1713 C1714 V1780P1666-P1711 HydrophobicContact CB-CG 4.04Å; W1689-P1711 HydrophobicContact CH2-CB 3.71Å; W1689-P1711 HydrophobicContact CZ2-CB 3.73Å; P1711-S1713 VanDerWaalsContact C-N 3.27Å; P1711-S1713 PolarHBondContact O-N 3.3Å; P1711-C1714 PolarHBondContact O-N 3.38Å; P1711-C1714 VanDerWaalsContact O-N 3.13Å; P1711-V1780 HydrophobicContact CB-CG1 4.02Å; P1711-V1780 HydrophobicContact CB-CG2 4.27Å; P1711-V1780 HydrophobicContact CG-CG1 4.05Å
1712G96.2Very high92.6Very high2 Ų237.9 Ų37.92%0.02121%0.21CC..G310 helixtrans-64.9-21.3178.400000115.8G1599 S1710 C1714G1599-G1712 VanDerWaalsContact N-CA 3.28Å; S1710-G1712 PolarHBondContact O-N 2.99Å; S1710-G1712 PolarHBondContact OG-N 2.88Å; G1712-C1714 PolarHBondContact O-N 2.98Å
1713S97.4Very high93Very high0 Ų035.5 Ų35.50%020%0.195CC..G310 helixtrans-76.7-6.5173.667.90000113.5A1668 H1670 S1693 F1694 L1708 S1710 P1711A1668-S1713 VanDerWaalsContact CB-OG 3.27Å; A1668-S1713 WeakPolarHBondContact CB-OG 3.45Å; H1670-S1713 PolarHBondContact CE1-O 2.63Å; H1670-S1713 PolarHBondContact CE1-OG 3.22Å; H1670-S1713 PolarHBondContact NE2-OG 3.26Å; S1693-S1713 CarbonylContact C-O 3.6Å; F1694-S1713 PolarHBondContact N-O 2.93Å; F1694-S1713 VanDerWaalsContact O-CA 3.24Å; F1694-S1713 WeakPolarHBondContact O-CA 3.11Å; F1694-S1713 WeakPolarHBondContact O-CB 3.06Å; L1708-S1713 PolarHBondContact O-OG 3.48Å; S1710-S1713 PolarHBondContact O-N 3.26Å; S1710-S1713 VanDerWaalsContact O-N 3.1Å; S1710-S1713 PolarHBondContact O-OG 2.81Å; P1711-S1713 VanDerWaalsContact C-N 3.27Å; P1711-S1713 PolarHBondContact O-N 3.3Å
1714C97.2Very high93.2Very high3 Ų333.9 Ų33.92%0.0218%0.179CC..EExtended strand (participates in β ladder)trans-12079.1-173-165.30000112.2A1668 W1689 P1711 G1712 C1778 V1780A1668-C1714 HydrophobicContact CB-CB 4.15Å; W1689-C1714 PolarHBondContact NE1-O 3.45Å; P1711-C1714 PolarHBondContact O-N 3.38Å; P1711-C1714 VanDerWaalsContact O-N 3.13Å; G1712-C1714 PolarHBondContact O-N 2.98Å; C1714-C1778 WeakPolarHBondContact CA-SG 3.18Å; C1714-C1778 HydrophobicContact CB-CB 3.93Å; C1714-C1778 WeakPolarHBondContact CB-SG 3.45Å; C1714-C1778 WeakPolarHBondContact SG-CB 3.45Å; C1714-C1778 CovalentContact SG-SG 2.04Å; C1714-C1778 PolarHBondContact SG-SG 2.83Å; C1714-V1780 HydrophobicContact CB-CG2 3.62Å
1715L95.8Very high93.3Very high7 Ų734 Ų344%0.03718%0.177CC..EExtended strand (participates in β ladder)trans-72.1130.4175.4-67.2-177.9000110.5L1598 L1634 G1691 Y1692 F1694 Y1717L1598-L1715 HydrophobicContact CD1-CD2 4.24Å; L1634-L1715 HydrophobicContact CD1-CD1 4.37Å; L1634-L1715 HydrophobicContact CD1-CD2 4.35Å; L1634-L1715 HydrophobicContact CD2-CD2 4.03Å; G1691-L1715 CarbonylContact C-O 3.6Å; G1691-L1715 WeakPolarHBondContact CA-O 3.44Å; Y1692-L1715 PolarHBondContact N-O 2.71Å; Y1692-L1715 PolarHBondContact O-N 3.44Å; F1694-L1715 HydrophobicContact CB-CD1 3.85Å; F1694-L1715 HydrophobicContact CB-CG 3.91Å; F1694-L1715 HydrophobicContact CD1-CD1 3.74Å; F1694-L1715 HydrophobicContact CD1-CG 4.06Å; F1694-L1715 HydrophobicContact CD2-CD1 4.28Å; F1694-L1715 HydrophobicContact CE1-CD1 4.3Å; F1694-L1715 HydrophobicContact CG-CD1 3.71Å; F1694-L1715 HydrophobicContact CG-CG 4.18Å; L1715-Y1717 VanDerWaalsContact C-N 3.26Å; L1715-Y1717 PolarHBondContact O-N 2.73Å
1716E94Very high93.2Very high43 Ų4332.1 Ų32.120%0.20116%0.158CC..SBendtrans-63.5-33.7-179.9-69.2-179.3-117.700111.9R1560 W1689R1560-E1716 IonicContact CZ-OE1 2.63Å; R1560-E1716 VanDerWaalsContact CZ-OE1 3.25Å; R1560-E1716 IonicContact CZ-OE2 3.79Å; R1560-E1716 IonicContact NE-OE1 2.97Å; R1560-E1716 PolarHBondContact NE-OE1 3.31Å; R1560-E1716 IonicContact NE-OE2 2.67Å; R1560-E1716 VanDerWaalsContact NH2-CD 3.25Å; R1560-E1716 IonicContact NH2-OE1 2.92Å; R1560-E1716 PolarHBondContact NH2-OE1 2.89Å; R1560-E1716 IonicContact NH2-OE2 3.19Å; R1560-E1716 PolarHBondContact NH2-OE2 3.32Å; W1689-E1716 HydrophobicContact CB-CG 4.2Å; W1689-E1716 HydrophobicContact CG-CG 3.94Å
1717Y93Very high92.8Very high98 Ų9832.4 Ų32.438%0.38416%0.16SC..SBendtrans-117.9128.9178.9-61-90.5000111.7Q1563 N1564 T1637 L1715Q1563-Y1717 HydrophobicContact CB-CD2 4.14Å; Q1563-Y1717 PolarHBondContact NE2-O 3.37Å; Q1563-Y1717 VanDerWaalsContact OE1-N 3.16Å; Q1563-Y1717 PolarHBondContact OE1-O 2.69Å; N1564-Y1717 HydrophobicContact CB-CE2 4.26Å; T1637-Y1717 HydrophobicContact CG2-CD1 4.13Å; T1637-Y1717 HydrophobicContact CG2-CG 3.87Å; L1715-Y1717 VanDerWaalsContact C-N 3.26Å; L1715-Y1717 PolarHBondContact O-N 2.73Å
1718F91.4Very high91.7Very high37 Ų3728 Ų2816%0.16214%0.141CC..  trans-67.8137.9166.5168.6-102.4000110.5Y1692 Y1720 Y1743 V1771 L1772 I1775Y1692-F1718 HydrophobicContact CD1-CB 4.23Å; Y1692-F1718 HydrophobicContact CD2-CB 3.9Å; Y1692-F1718 HydrophobicContact CE2-CB 4.2Å; Y1692-F1718 HydrophobicContact CG-CB 3.92Å; F1718-Y1720 HydrophobicContact CE1-CD1 4.1Å; F1718-Y1720 AromaticContact CE1-CD2 3.89Å; F1718-Y1720 HydrophobicContact CE1-CD2 3.89Å; F1718-Y1720 AromaticContact CE1-CE1 3.94Å; F1718-Y1720 HydrophobicContact CE1-CE1 3.94Å; F1718-Y1720 AromaticContact CE1-CE2 3.72Å; F1718-Y1720 HydrophobicContact CE1-CE2 3.72Å; F1718-Y1720 HydrophobicContact CE1-CG 4.08Å; F1718-Y1720 AromaticContact CE1-CZ 3.74Å; F1718-Y1720 AromaticContact CZ-CD1 3.73Å; F1718-Y1720 HydrophobicContact CZ-CD1 3.73Å; F1718-Y1720 HydrophobicContact CZ-CD2 4.3Å; F1718-Y1720 AromaticContact CZ-CE1 3.76Å; F1718-Y1720 HydrophobicContact CZ-CE1 3.76Å; F1718-Y1720 HydrophobicContact CZ-CE2 4.33Å; F1718-Y1720 HydrophobicContact CZ-CG 4.02Å; F1718-Y1743 HydrophobicContact CD2-CD1 4.34Å; F1718-Y1743 HydrophobicContact CD2-CD2 4.12Å; F1718-Y1743 AromaticContact CD2-CE1 3.92Å; F1718-Y1743 HydrophobicContact CD2-CE1 3.92Å; F1718-Y1743 AromaticContact CD2-CE2 3.68Å; F1718-Y1743 HydrophobicContact CD2-CE2 3.68Å; F1718-Y1743 HydrophobicContact CD2-CG 4.43Å; F1718-Y1743 AromaticContact CD2-CZ 3.55Å; F1718-Y1743 AromaticContact CE2-CD2 3.79Å; F1718-Y1743 HydrophobicContact CE2-CD2 3.79Å; F1718-Y1743 AromaticContact CE2-CE2 3.44Å; F1718-Y1743 HydrophobicContact CE2-CE2 3.44Å; F1718-Y1743 VanDerWaalsContact CE2-CE2 3.44Å; F1718-Y1743 HydrophobicContact CE2-CG 4.46Å; F1718-Y1743 AromaticContact CE2-CZ 3.83Å; F1718-V1771 HydrophobicContact CE1-CG1 4.04Å; F1718-V1771 HydrophobicContact CE2-CG1 4.39Å; F1718-V1771 HydrophobicContact CZ-CG1 3.69Å; F1718-L1772 HydrophobicContact CB-CD2 3.63Å; F1718-L1772 HydrophobicContact CD1-CD2 3.48Å; F1718-L1772 VanDerWaalsContact CD1-CD2 3.48Å; F1718-L1772 HydrophobicContact CD2-CD2 4.4Å; F1718-L1772 HydrophobicContact CE1-CD2 4.25Å; F1718-L1772 HydrophobicContact CG-CD2 3.56Å; F1718-I1775 HydrophobicContact CD2-CD1 3.47Å; F1718-I1775 VanDerWaalsContact CD2-CD1 3.47Å; F1718-I1775 HydrophobicContact CE2-CD1 3.24Å; F1718-I1775 HydrophobicContact CG-CD1 4.27Å; F1718-I1775 HydrophobicContact CZ-CD1 3.88Å
1719S88.8Confident90.1Very high24 Ų2427.4 Ų27.417%0.16815%0.152CC..  trans-140.7141.1167.4173.40000111S1721 Y1743S1719-S1721 VanDerWaalsContact C-N 3.29Å; S1719-S1721 VanDerWaalsContact OG-C 3.29Å; S1719-S1721 PolarHBondContact OG-N 3.49Å; S1719-S1721 PolarHBondContact OG-O 2.8Å; S1719-Y1743 PolarHBondContact N-OH 3.2Å; S1719-Y1743 VanDerWaalsContact N-OH 3.15Å; S1719-Y1743 PolarHBondContact O-OH 2.81Å
1720Y86.3Confident88.5Confident130 Ų13029.7 Ų29.751%0.5116%0.157SC..SBendtrans-66.9-29.5172.7-67.9-78.8000112.9F1718 V1771F1718-Y1720 HydrophobicContact CE1-CD1 4.1Å; F1718-Y1720 AromaticContact CE1-CD2 3.89Å; F1718-Y1720 HydrophobicContact CE1-CD2 3.89Å; F1718-Y1720 AromaticContact CE1-CE1 3.94Å; F1718-Y1720 HydrophobicContact CE1-CE1 3.94Å; F1718-Y1720 AromaticContact CE1-CE2 3.72Å; F1718-Y1720 HydrophobicContact CE1-CE2 3.72Å; F1718-Y1720 HydrophobicContact CE1-CG 4.08Å; F1718-Y1720 AromaticContact CE1-CZ 3.74Å; F1718-Y1720 AromaticContact CZ-CD1 3.73Å; F1718-Y1720 HydrophobicContact CZ-CD1 3.73Å; F1718-Y1720 HydrophobicContact CZ-CD2 4.3Å; F1718-Y1720 AromaticContact CZ-CE1 3.76Å; F1718-Y1720 HydrophobicContact CZ-CE1 3.76Å; F1718-Y1720 HydrophobicContact CZ-CE2 4.33Å; F1718-Y1720 HydrophobicContact CZ-CG 4.02Å; Y1720-V1771 HydrophobicContact CE1-CB 4.47Å; Y1720-V1771 HydrophobicContact CE1-CG1 4.04Å; Y1720-V1771 HydrophobicContact CE1-CG2 4.16Å; Y1720-V1771 WeakPolarHBondContact OH-CG2 3.21Å
1721S87Confident87Confident16 Ų1632.1 Ų32.111%0.11217%0.174CC..  trans-136.882.7175.7-164.60000109.7S1719 L1723S1719-S1721 VanDerWaalsContact C-N 3.29Å; S1719-S1721 VanDerWaalsContact OG-C 3.29Å; S1719-S1721 PolarHBondContact OG-N 3.49Å; S1719-S1721 PolarHBondContact OG-O 2.8Å; S1721-L1723 PolarHBondContact O-N 3.26Å
1722P89.3Confident86Confident0 Ų034.3 Ų34.30%019%0.185CC..  trans-83.810.4-178.734.4-33.8000113L1634 A1635 F1694 A1741L1634-P1722 CarbonylContact C-O 3.02Å; L1634-P1722 WeakPolarHBondContact CA-O 3.24Å; L1634-P1722 HydrophobicContact CD1-CB 4.31Å; L1634-P1722 WeakPolarHBondContact CD1-O 3.07Å; A1635-P1722 PolarHBondContact N-O 3.18Å; F1694-P1722 HydrophobicContact CE2-CG 4.34Å; P1722-A1741 HydrophobicContact CG-CB 3.42Å; P1722-A1741 VanDerWaalsContact CG-CB 3.42Å
1723L91.5Very high85.7Confident3 Ų334.2 Ų34.22%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-121.2133.9176.4-61.698.1000110.9V1585 M1586 W1633 H1697 S1721V1585-L1723 HydrophobicContact CB-CD2 4.33Å; V1585-L1723 HydrophobicContact CG1-CD2 3.9Å; M1586-L1723 HydrophobicContact SD-CD2 4.02Å; W1633-L1723 WeakPolarHBondContact O-CA 3.17Å; H1697-L1723 HydrophobicContact CB-CD1 3.59Å; H1697-L1723 HydrophobicContact CB-CD2 4.15Å; S1721-L1723 PolarHBondContact O-N 3.26Å
1724L91.7Very high85.3Confident0 Ų035.3 Ų35.30%019%0.19CC..EExtended strand (participates in β ladder)trans-102.3120.9166-175.470.6000108.3Y1632 W1633 A1635 L1645 V1650 R1653 V1654 C1733 Y1735Y1632-L1724 WeakPolarHBondContact CA-O 3.5Å; W1633-L1724 PolarHBondContact N-O 3.37Å; W1633-L1724 PolarHBondContact O-N 2.92Å; A1635-L1724 HydrophobicContact CB-CB 4.42Å; L1645-L1724 HydrophobicContact CD1-CD1 3.61Å; L1645-L1724 HydrophobicContact CD1-CD2 4.02Å; L1645-L1724 HydrophobicContact CD1-CG 4.47Å; V1650-L1724 HydrophobicContact CG1-CD2 4.24Å; R1653-L1724 HydrophobicContact CB-CD2 4.14Å; V1654-L1724 HydrophobicContact CG2-CD2 3.83Å; L1724-C1733 HydrophobicContact CD1-CB 4.19Å; L1724-C1733 HydrophobicContact CD2-CB 3.83Å; L1724-C1733 HydrophobicContact CG-CB 3.93Å; L1724-Y1735 HydrophobicContact CD1-CD1 4.44Å; L1724-Y1735 HydrophobicContact CD1-CD2 3.84Å; L1724-Y1735 HydrophobicContact CD1-CE1 4.35Å; L1724-Y1735 HydrophobicContact CD1-CE2 3.7Å; L1724-Y1735 HydrophobicContact CD1-CG 4.24Å
1725E90.7Very high84.9Confident9 Ų936.4 Ų36.44%0.04219%0.194CC..EExtended strand (participates in β ladder)trans-82.7136.4170.8-178.3176.3112.400109.5R1630 Y1632 C1733 N1734 W1736R1630-E1725 WeakPolarHBondContact CD-OE2 3.44Å; R1630-E1725 IonicContact CZ-OE1 2.71Å; R1630-E1725 IonicContact CZ-OE2 2.66Å; R1630-E1725 IonicContact NE-OE1 3.46Å; R1630-E1725 VanDerWaalsContact NH1-CD 3.26Å; R1630-E1725 IonicContact NH1-OE1 2.67Å; R1630-E1725 PolarHBondContact NH1-OE1 3.08Å; R1630-E1725 IonicContact NH1-OE2 3.54Å; R1630-E1725 PolarHBondContact NH1-OE2 3.36Å; Y1632-E1725 HydrophobicContact CD1-CB 3.82Å; Y1632-E1725 HydrophobicContact CD1-CG 4.04Å; Y1632-E1725 HydrophobicContact CE1-CB 3.52Å; Y1632-E1725 HydrophobicContact CE1-CG 3.41Å; Y1632-E1725 VanDerWaalsContact CE1-CG 3.41Å; Y1632-E1725 WeakPolarHBondContact CE1-OE2 3.2Å; Y1632-E1725 VanDerWaalsContact CZ-OE2 3.25Å; Y1632-E1725 PolarHBondContact OH-OE2 2.78Å; E1725-C1733 CarbonylContact O-C 3.45Å; E1725-C1733 WeakPolarHBondContact O-CA 3.08Å; E1725-C1733 WeakPolarHBondContact O-CB 3.45Å; E1725-N1734 PolarHBondContact N-O 3.39Å; E1725-N1734 PolarHBondContact O-N 2.79Å; E1725-W1736 PolarHBondContact OE1-NE1 3.44Å
1726C89.6Confident84.4Confident0 Ų040.8 Ų40.80%021%0.21CC..EExtended strand (participates in β ladder)trans-125.1126.7172.8-70.30000109.7I1610 R1630 S1631 C1733I1610-C1726 HydrophobicContact CB-CB 4.46Å; I1610-C1726 HydrophobicContact CG2-CB 4.03Å; R1630-C1726 WeakPolarHBondContact CA-O 3.13Å; S1631-C1726 PolarHBondContact N-O 3.17Å; S1631-C1726 PolarHBondContact O-N 2.86Å; C1726-C1733 HydrophobicContact CB-CB 4.14Å; C1726-C1733 WeakPolarHBondContact CB-SG 3.34Å; C1726-C1733 WeakPolarHBondContact SG-CB 3.46Å; C1726-C1733 CovalentContact SG-SG 2.04Å; C1726-C1733 PolarHBondContact SG-SG 3.1Å
1727N85.1Confident83.8Confident20 Ų2043.8 Ų43.811%0.10724%0.236CC..EExtended strand (participates in β ladder)trans-125.6126-175.2-177.6-22.1000110.6G1729 M1730 S1731 L1732N1727-G1729 VanDerWaalsContact C-N 3.34Å; N1727-G1729 PolarHBondContact O-N 3.13Å; N1727-G1729 PolarHBondContact OD1-N 2.92Å; N1727-M1730 PolarHBondContact O-N 3.15Å; N1727-S1731 PolarHBondContact O-N 3.28Å; N1727-L1732 PolarHBondContact N-O 3.31Å
1728N73.2Confident83.4Confident42 Ų4242.1 Ų42.123%0.22523%0.233CC..G310 helixtrans-70.2-30.9-173.8-135.45.9000112.8M1611 G1625 M1730 S1731M1611-N1728 HydrophobicContact CB-CB 4.21Å; M1611-N1728 WeakPolarHBondContact CB-ND2 3.26Å; M1611-N1728 HydrophobicContact CE-CB 3.89Å; G1625-N1728 WeakPolarHBondContact CA-ND2 3.17Å; N1728-M1730 PolarHBondContact O-N 2.76Å; N1728-S1731 PolarHBondContact O-N 2.82Å; N1728-S1731 VanDerWaalsContact O-N 3.13Å
1729G63.5Low83.1Confident60 Ų6040.9 Ų40.962%0.61923%0.23SC*.G310 helixtrans-64.6-10.8-178.500000115N1727N1727-G1729 VanDerWaalsContact C-N 3.34Å; N1727-G1729 PolarHBondContact O-N 3.13Å; N1727-G1729 PolarHBondContact OD1-N 2.92Å
1730M62.2Low83.1Confident104 Ų10444.6 Ų44.651%0.51224%0.243SC..G310 helixtrans-127.2-2.6172.1-58.7-172.5-63.500113.3N1727 N1728 L1732N1727-M1730 PolarHBondContact O-N 3.15Å; N1728-M1730 PolarHBondContact O-N 2.76Å; M1730-L1732 HydrophobicContact CB-CB 4.11Å; M1730-L1732 HydrophobicContact CB-CD1 4.08Å; M1730-L1732 HydrophobicContact CB-CG 4.26Å; M1730-L1732 PolarHBondContact O-N 2.93Å; M1730-L1732 VanDerWaalsContact O-N 3.13Å
1731S66.8Low83.4Confident66 Ų6639.5 Ų39.546%0.46223%0.228SC..THydrogen-bonded Turntrans49.231.6-168.1-62.40000114I1610 N1727 N1728I1610-S1731 WeakPolarHBondContact CD1-O 3.17Å; N1727-S1731 PolarHBondContact O-N 3.28Å; N1728-S1731 PolarHBondContact O-N 2.82Å; N1728-S1731 VanDerWaalsContact O-N 3.13Å
1732L75.9Confident83.7Confident57 Ų5743.8 Ų43.830%0.29824%0.243SC..EExtended strand (participates in β ladder)trans-117.3147.1-175.8-79.6172000111.1P1644 L1645 N1727 M1730P1644-L1732 HydrophobicContact CB-CD1 4.27Å; P1644-L1732 HydrophobicContact CB-CD2 4.22Å; L1645-L1732 VanDerWaalsContact O-CD2 3.3Å; L1645-L1732 WeakPolarHBondContact O-CD2 3.29Å; N1727-L1732 PolarHBondContact N-O 3.31Å; M1730-L1732 HydrophobicContact CB-CB 4.11Å; M1730-L1732 HydrophobicContact CB-CD1 4.08Å; M1730-L1732 HydrophobicContact CB-CG 4.26Å; M1730-L1732 PolarHBondContact O-N 2.93Å; M1730-L1732 VanDerWaalsContact O-N 3.13Å
1733C89.4Confident84Confident0 Ų045.6 Ų45.60%025%0.25CC..EExtended strand (participates in β ladder)trans-116.9140165.6-57.70000110.1L1645 V1650 L1724 E1725 C1726L1645-C1733 WeakPolarHBondContact CB-O 2.93Å; L1645-C1733 HydrophobicContact CD1-CB 4.47Å; L1645-C1733 PolarHBondContact N-O 3.08Å; V1650-C1733 HydrophobicContact CG1-CB 4.2Å; V1650-C1733 HydrophobicContact CG2-CB 3.99Å; L1724-C1733 HydrophobicContact CD1-CB 4.19Å; L1724-C1733 HydrophobicContact CD2-CB 3.83Å; L1724-C1733 HydrophobicContact CG-CB 3.93Å; E1725-C1733 CarbonylContact O-C 3.45Å; E1725-C1733 WeakPolarHBondContact O-CA 3.08Å; E1725-C1733 WeakPolarHBondContact O-CB 3.45Å; C1726-C1733 HydrophobicContact CB-CB 4.14Å; C1726-C1733 WeakPolarHBondContact CB-SG 3.34Å; C1726-C1733 WeakPolarHBondContact SG-CB 3.46Å; C1726-C1733 CovalentContact SG-SG 2.04Å; C1726-C1733 PolarHBondContact SG-SG 3.1Å
1734N88.5Confident84.2Confident22 Ų2247.2 Ų47.212%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-151.5162.3-176-162.520.9000112.7E1725 W1736E1725-N1734 PolarHBondContact N-O 3.39Å; E1725-N1734 PolarHBondContact O-N 2.79Å; N1734-W1736 HydrophobicContact CB-CZ2 4.23Å
1735Y88.6Confident84.2Confident27 Ų2751.4 Ų51.411%0.10627%0.274CS..  trans-97.7107.5170.6-60.8-96.7000109A1635 L1640 P1641 L1645 R1653 L1724A1635-Y1735 HydrophobicContact CB-CE1 3.59Å; L1640-Y1735 HydrophobicContact CD2-CD1 3.38Å; L1640-Y1735 HydrophobicContact CD2-CD2 3.91Å; L1640-Y1735 HydrophobicContact CD2-CE1 3.67Å; L1640-Y1735 HydrophobicContact CD2-CE2 4.2Å; L1640-Y1735 HydrophobicContact CD2-CG 3.48Å; L1640-Y1735 VanDerWaalsContact CD2-CG 3.48Å; P1641-Y1735 VanDerWaalsContact CD-CD2 3.46Å; P1641-Y1735 VanDerWaalsContact CD-CE2 3.5Å; P1641-Y1735 HydrophobicContact CG-CD2 3.86Å; P1641-Y1735 HydrophobicContact CG-CE2 4.03Å; L1645-Y1735 HydrophobicContact CD1-CE2 4.33Å; R1653-Y1735 PolarHBondContact NH1-OH 3.06Å; L1724-Y1735 HydrophobicContact CD1-CD1 4.44Å; L1724-Y1735 HydrophobicContact CD1-CD2 3.84Å; L1724-Y1735 HydrophobicContact CD1-CE1 4.35Å; L1724-Y1735 HydrophobicContact CD1-CE2 3.7Å; L1724-Y1735 HydrophobicContact CD1-CG 4.24Å
1736W85.3Confident84.2Confident99 Ų9953 Ų5338%0.37528%0.282SS..  trans-90.4150.9177.6-60118.1000112.3E1725 N1734 D1738 A1739E1725-W1736 PolarHBondContact OE1-NE1 3.44Å; N1734-W1736 HydrophobicContact CB-CZ2 4.23Å; W1736-D1738 VanDerWaalsContact C-N 3.34Å; W1736-D1738 WeakPolarHBondContact CB-OD1 2.94Å; W1736-A1739 WeakPolarHBondContact O-CB 3.27Å; W1736-A1739 PolarHBondContact O-N 3.47Å
1737S81.4Confident84.2Confident105 Ų10555.3 Ų55.373%0.73430%0.295SS*.THydrogen-bonded Turntrans-81.6-11.1-175.361.20000113.9K1740S1737-K1740 WeakPolarHBondContact O-CE 3.43Å; S1737-K1740 PolarHBondContact O-NZ 2.72Å
1738D85.7Confident84.1Confident63 Ų6356.6 Ų56.634%0.33731%0.306SS..THydrogen-bonded Turntrans-85.3-19.5171.773-47.4000112.6V1699 G1700 W1736 K1740V1699-D1738 WeakPolarHBondContact CG1-OD2 3.36Å; G1700-D1738 PolarHBondContact N-OD2 3.11Å; W1736-D1738 VanDerWaalsContact C-N 3.34Å; W1736-D1738 WeakPolarHBondContact CB-OD1 2.94Å; D1738-K1740 PolarHBondContact O-N 2.9Å
1739A85.5Confident84.3Confident12 Ų1261.3 Ų61.310%0.09933%0.331CS..  trans-63.1122.1169.100000110.1S1698 W1736S1698-A1739 CarbonylContact O-C 3.11Å; S1698-A1739 VanDerWaalsContact O-CA 3.28Å; S1698-A1739 WeakPolarHBondContact O-CA 3.07Å; W1736-A1739 WeakPolarHBondContact O-CB 3.27Å; W1736-A1739 PolarHBondContact O-N 3.47Å
1740K88.9Confident85.3Confident101 Ų10165.3 Ų65.344%0.43934%0.338SS..EExtended strand (participates in β ladder)trans-122.5140.9179.6-56.8-55173.9-160.90110.8H1697 S1698 S1737 D1738 Y1742H1697-K1740 CarbonylContact C-O 3.5Å; H1697-K1740 WeakPolarHBondContact CA-O 2.98Å; S1698-K1740 PolarHBondContact N-O 3.22Å; S1698-K1740 PolarHBondContact O-N 3.33Å; S1737-K1740 WeakPolarHBondContact O-CE 3.43Å; S1737-K1740 PolarHBondContact O-NZ 2.72Å; D1738-K1740 PolarHBondContact O-N 2.9Å; K1740-Y1742 HydrophobicContact CB-CD2 4.41Å; K1740-Y1742 HydrophobicContact CB-CE2 3.63Å
1741A90.8Very high86.4Confident23 Ų2363.1 Ų63.119%0.1933%0.331CS..EExtended strand (participates in β ladder)trans-112.7140.7167.100000110.5F1694 P1722 Y1743F1694-A1741 HydrophobicContact CE2-CB 3.93Å; P1722-A1741 HydrophobicContact CG-CB 3.42Å; P1722-A1741 VanDerWaalsContact CG-CB 3.42Å; A1741-Y1743 HydrophobicContact CB-CE2 3.85Å
1742Y94.4Very high87.5Confident107 Ų10765.2 Ų65.242%0.4233%0.334SS..EExtended strand (participates in β ladder)trans-121.2128.1-176.9-59.8-99.9000109.2V1695 M1696 K1740V1695-Y1742 PolarHBondContact N-O 3.2Å; M1696-Y1742 HydrophobicContact CE-CD2 4.33Å; M1696-Y1742 HydrophobicContact CE-CE2 4.37Å; M1696-Y1742 HydrophobicContact CG-CD2 3.75Å; M1696-Y1742 HydrophobicContact CG-CG 3.79Å; M1696-Y1742 PolarHBondContact N-O 3.32Å; M1696-Y1742 PolarHBondContact O-N 2.78Å; M1696-Y1742 HydrophobicContact SD-CD2 4.47Å; M1696-Y1742 HydrophobicContact SD-CG 4.44Å; K1740-Y1742 HydrophobicContact CB-CD2 4.41Å; K1740-Y1742 HydrophobicContact CB-CE2 3.63Å
1743Y95.2Very high88.2Confident37 Ų3771.5 Ų71.515%0.14536%0.359CS..EExtended strand (participates in β ladder)trans-119.2149.8180-61.5-96.1000109.8S1693 F1694 F1718 S1719 A1741 R1745 I1775S1693-Y1743 CarbonylContact O-C 3.54Å; S1693-Y1743 WeakPolarHBondContact O-CA 3.13Å; S1693-Y1743 WeakPolarHBondContact O-CB 3.41Å; F1694-Y1743 HydrophobicContact CB-CD1 4.06Å; F1694-Y1743 HydrophobicContact CB-CE1 3.95Å; F1694-Y1743 HydrophobicContact CD2-CD1 4.35Å; F1694-Y1743 HydrophobicContact CD2-CE1 4.02Å; F1694-Y1743 HydrophobicContact CG-CE1 4.4Å; F1718-Y1743 HydrophobicContact CD2-CD1 4.34Å; F1718-Y1743 HydrophobicContact CD2-CD2 4.12Å; F1718-Y1743 AromaticContact CD2-CE1 3.92Å; F1718-Y1743 HydrophobicContact CD2-CE1 3.92Å; F1718-Y1743 AromaticContact CD2-CE2 3.68Å; F1718-Y1743 HydrophobicContact CD2-CE2 3.68Å; F1718-Y1743 HydrophobicContact CD2-CG 4.43Å; F1718-Y1743 AromaticContact CD2-CZ 3.55Å; F1718-Y1743 AromaticContact CE2-CD2 3.79Å; F1718-Y1743 HydrophobicContact CE2-CD2 3.79Å; F1718-Y1743 AromaticContact CE2-CE2 3.44Å; F1718-Y1743 HydrophobicContact CE2-CE2 3.44Å; F1718-Y1743 VanDerWaalsContact CE2-CE2 3.44Å; F1718-Y1743 HydrophobicContact CE2-CG 4.46Å; F1718-Y1743 AromaticContact CE2-CZ 3.83Å; S1719-Y1743 PolarHBondContact N-OH 3.2Å; S1719-Y1743 VanDerWaalsContact N-OH 3.15Å; S1719-Y1743 PolarHBondContact O-OH 2.81Å; A1741-Y1743 HydrophobicContact CB-CE2 3.85Å; Y1743-R1745 PolarHBondContact O-N 3.2Å; Y1743-I1775 HydrophobicContact CG-CD1 4.48Å; Y1743-I1775 HydrophobicContact CG-CG2 4.46Å
1744L95.3Very high88.2Confident38 Ų3877.3 Ų77.320%0.19939%0.386CS..PPolyproline II helixtrans-61.6133.7170.2-88.6169.4000109H1670 Q1672 S1693 V1695 L1708 S1776H1670-L1744 HydrophobicContact CB-CD1 4.13Å; Q1672-L1744 HydrophobicContact CG-CD1 4.45Å; Q1672-L1744 HydrophobicContact CG-CD2 4.48Å; S1693-L1744 PolarHBondContact O-N 2.85Å; V1695-L1744 HydrophobicContact CG2-CB 4.26Å; V1695-L1744 HydrophobicContact CG2-CG 3.75Å; L1708-L1744 HydrophobicContact CD1-CD1 4.24Å; L1708-L1744 HydrophobicContact CD2-CD1 3.95Å; L1744-S1776 VanDerWaalsContact O-CB 3.26Å; L1744-S1776 WeakPolarHBondContact O-CB 3.44Å; L1744-S1776 PolarHBondContact O-N 3.01Å
1745R92.2Very high88.1Confident88 Ų8885.6 Ų85.633%0.33242%0.421SS..BIsolated β-bridgetrans-75150.1174.2-157.4-169.4175.1159.1-1.1110.2Y1743 V1757 E1774Y1743-R1745 PolarHBondContact O-N 3.2Å; R1745-V1757 PolarHBondContact NH1-O 2.75Å; R1745-E1774 CarbonylContact C-O 2.82Å; R1745-E1774 VanDerWaalsContact CA-O 3.31Å; R1745-E1774 WeakPolarHBondContact CA-O 3.28Å; R1745-E1774 WeakPolarHBondContact CG-O 3.26Å; R1745-E1774 IonicContact CZ-OE2 3.79Å; R1745-E1774 IonicContact NE-OE2 3.5Å; R1745-E1774 PolarHBondContact NE-OE2 3.1Å; R1745-E1774 IonicContact NH2-OE1 3.26Å; R1745-E1774 IonicContact NH2-OE2 2.8Å; R1745-E1774 PolarHBondContact NH2-OE2 3.3Å
1746H90.9Very high88Confident43 Ų4389.2 Ų89.220%0.19945%0.448CS..PPolyproline II helixtrans-64.1128.7156.5161.9-146000109.4Q1672 N1674 R1773 E1774Q1672-H1746 CarbonylContact O-C 3.6Å; Q1672-H1746 VanDerWaalsContact O-CA 3.24Å; Q1672-H1746 WeakPolarHBondContact O-CA 3.46Å; Q1672-H1746 PolarHBondContact O-CD2 3.3Å; N1674-H1746 HydrophobicContact CB-CB 4.23Å; N1674-H1746 PolarHBondContact ND2-ND1 3.24Å; H1746-R1773 PolarHBondContact ND1-O 2.67Å; H1746-R1773 VanDerWaalsContact ND1-O 3.09Å; H1746-E1774 PolarHBondContact N-O 3.46Å
1747V89.6Confident87.9Confident47 Ų4789.2 Ų89.229%0.28546%0.458SS..  trans-128112.3177.4-179.90000107.8Q1672 E1752Q1672-V1747 PolarHBondContact O-N 3.04Å; V1747-E1752 HydrophobicContact CG1-CB 4.07Å; V1747-E1752 HydrophobicContact CG1-CG 4.46Å
1748S82.7Confident88.1Confident47 Ų4790 Ų9033%0.32946%0.464SS..  trans-73.1143.4175.6830000110.6N1750 T1751 E1752S1748-N1750 PolarHBondContact O-N 3.5Å; S1748-T1751 PolarHBondContact N-OG1 2.66Å; S1748-T1751 WeakPolarHBondContact O-CA 2.92Å; S1748-T1751 PolarHBondContact O-N 2.76Å; S1748-T1751 PolarHBondContact O-OG1 3.2Å; S1748-T1751 PolarHBondContact OG-OG1 3.38Å; S1748-E1752 PolarHBondContact O-N 3.16Å
1749N78.3Confident88Confident142 Ų14291.6 Ų91.676%0.75947%0.469SS*.THydrogen-bonded Turntrans-53.4-31.2-178.6-617.4000113.2T1751N1749-T1751 PolarHBondContact O-N 3.2Å
1750N84.3Confident87.9Confident144 Ų144101.2 Ų101.277%0.7751%0.505SS*.THydrogen-bonded Turntrans-72.2-13.4178.6-64.7-17.9000113.3S1748 Q1754S1748-N1750 PolarHBondContact O-N 3.5Å; N1750-Q1754 PolarHBondContact O-NE2 2.98Å
1751T85.7Confident87.6Confident58 Ų5898.9 Ų98.936%0.35650%0.496SS..THydrogen-bonded Turntrans-119.9-7.5-170.3510000115S1748 N1749 F1753 Q1754S1748-T1751 PolarHBondContact N-OG1 2.66Å; S1748-T1751 WeakPolarHBondContact O-CA 2.92Å; S1748-T1751 PolarHBondContact O-N 2.76Å; S1748-T1751 PolarHBondContact O-OG1 3.2Å; S1748-T1751 PolarHBondContact OG-OG1 3.38Å; N1749-T1751 PolarHBondContact O-N 3.2Å; T1751-F1753 PolarHBondContact O-N 2.65Å; T1751-Q1754 WeakPolarHBondContact O-CB 3.11Å; T1751-Q1754 PolarHBondContact O-N 3.49Å
1752E88Confident86.8Confident110 Ų110101.7 Ų101.751%0.51451%0.511SS..THydrogen-bonded Turntrans-50.6-53-174.2-177.4177.8-162.700113.7V1747 S1748 Q1754V1747-E1752 HydrophobicContact CG1-CB 4.07Å; V1747-E1752 HydrophobicContact CG1-CG 4.46Å; S1748-E1752 PolarHBondContact O-N 3.16Å; E1752-Q1754 VanDerWaalsContact C-N 3.33Å
1753F91.5Very high85.5Confident189 Ų18998.5 Ų98.583%0.82950%0.501SS*.THydrogen-bonded Turntrans-90.88.1179-56-79000113.6T1751T1751-F1753 PolarHBondContact O-N 2.65Å
1754Q89.3Confident83.5Confident122 Ų122104.8 Ų104.857%0.5753%0.532SS*.SBendtrans-85.6151.5171.8-60.5-165.437.800110.2N1750 T1751 E1752 P1756N1750-Q1754 PolarHBondContact O-NE2 2.98Å; T1751-Q1754 WeakPolarHBondContact O-CB 3.11Å; T1751-Q1754 PolarHBondContact O-N 3.49Å; E1752-Q1754 VanDerWaalsContact C-N 3.33Å; Q1754-P1756 VanDerWaalsContact O-CD 3.25Å; Q1754-P1756 WeakPolarHBondContact O-CD 3.34Å; Q1754-P1756 VanDerWaalsContact O-N 3.15Å
1755K87.5Confident81.2Confident195 Ų195109.6 Ų109.685%0.84856%0.557SS**PPolyproline II helixtrans-59.5120.5174.6-179.5173.5-179.6172.50109.6V1757K1755-V1757 PolarHBondContact O-N 3.47Å
1756P84.8Confident79.1Confident103 Ų103110.3 Ų110.367%0.66957%0.573SS**PPolyproline II helixtrans-58.1129.8-177.6-27.535.9000112Q1754 S1758Q1754-P1756 VanDerWaalsContact O-CD 3.25Å; Q1754-P1756 WeakPolarHBondContact O-CD 3.34Å; Q1754-P1756 VanDerWaalsContact O-N 3.15Å; P1756-S1758 PolarHBondContact O-N 3.49Å
1757V84.4Confident76.8Confident99 Ų99115.7 Ų115.760%0.660%0.603SS**  trans-71.3114.1170.5-176.30000107.5R1745 K1755 Q1759R1745-V1757 PolarHBondContact NH1-O 2.75Å; K1755-V1757 PolarHBondContact O-N 3.47Å; V1757-Q1759 HydrophobicContact CG1-CG 4.03Å; V1757-Q1759 PolarHBondContact O-N 3.16Å
1758S85.6Confident74.9Confident121 Ų121119.7 Ų119.785%0.84662%0.619SS**  trans-67.9124.5170.3-1770000108.7P1756P1756-S1758 PolarHBondContact O-N 3.49Å
1759Q82.8Confident74.1Confident98 Ų98118.8 Ų118.846%0.45861%0.611SS.*  trans-130.2143.1-179.3-64.8175.48.700107.9V1757 I1761V1757-Q1759 HydrophobicContact CG1-CG 4.03Å; V1757-Q1759 PolarHBondContact O-N 3.16Å; Q1759-I1761 HydrophobicContact CB-CD1 4.37Å; Q1759-I1761 HydrophobicContact CB-CG1 4.12Å
1760Y84.7Confident74.3Confident214 Ų214118.6 Ų118.684%0.83960%0.604SS**  trans-114.3118.5169-161.8-93.4000106.3T1762Y1760-T1762 HydrophobicContact CD1-CG2 4.02Å; Y1760-T1762 HydrophobicContact CE1-CG2 3.73Å
1761I80.9Confident74.4Confident52 Ų52112.6 Ų112.627%0.26757%0.572SS.*  trans-119.7119.3-169.2-50.3178.9000107.7Q1759 K1770 V1771 E1774Q1759-I1761 HydrophobicContact CB-CD1 4.37Å; Q1759-I1761 HydrophobicContact CB-CG1 4.12Å; I1761-K1770 HydrophobicContact CG2-CB 3.69Å; I1761-V1771 HydrophobicContact CB-CG2 3.9Å; I1761-V1771 HydrophobicContact CG2-CG2 3.64Å; I1761-E1774 HydrophobicContact CD1-CB 4.33Å; I1761-E1774 HydrophobicContact CD1-CG 3.72Å
1762T75.2Confident74.5Confident82 Ų82112.1 Ų112.150%0.50357%0.567SS.*  trans-121.2114.6176.649.80000107.8Y1760Y1760-T1762 HydrophobicContact CD1-CG2 4.02Å; Y1760-T1762 HydrophobicContact CE1-CG2 3.73Å
1763D65.6Low74.5Confident39 Ų39112.5 Ų112.521%0.20956%0.564CS.*  trans-91.7126.8173.5-70.9-52.4000109.8T1769 K1770 V1771D1763-T1769 HydrophobicContact CB-CG2 3.93Å; D1763-T1769 VanDerWaalsContact CG-CA 3.41Å; D1763-T1769 VanDerWaalsContact OD2-CA 3.24Å; D1763-T1769 WeakPolarHBondContact OD2-CA 3.3Å; D1763-T1769 VanDerWaalsContact OD2-CB 3.24Å; D1763-T1769 WeakPolarHBondContact OD2-CB 3.23Å; D1763-K1770 WeakPolarHBondContact OD1-CB 3.3Å; D1763-K1770 PolarHBondContact OD1-N 3.12Å; D1763-K1770 PolarHBondContact OD2-N 3.26Å; D1763-V1771 WeakPolarHBondContact OD2-CB 3.48Å; D1763-V1771 WeakPolarHBondContact OD2-CG2 3.48Å; D1763-V1771 PolarHBondContact OD2-N 3.22Å
1764H55Low74.4Confident169 Ų169106 Ų10678%0.78254%0.536SS*.  trans-109.88.5177.8-64.3-55.8000112.4
1765L45.8Very low74.5Confident139 Ų139100.9 Ų100.973%0.72851%0.513SS*.SBendtrans-137.8143.3-177.6-72.3168.9000110
1766P47.5Very low74.9Confident103 Ų10391.6 Ų91.667%0.66947%0.472SS*.SBendtrans-76.5-41.8-169-17.833.4000115.1
1767D42.7Very low75.4Confident157 Ų15788.9 Ų88.984%0.8445%0.449SS*.THydrogen-bonded Turntrans-87-19-157.7-61.1-60.2000116
1768E50.9Low76Confident130 Ų13084.1 Ų84.161%0.60742%0.42SS*.THydrogen-bonded Turntrans-133.755.5175.6-78.4-128.8137.100112K1770 R1773E1768-K1770 PolarHBondContact O-N 3.42Å; E1768-K1770 VanDerWaalsContact O-N 3.1Å; E1768-R1773 IonicContact OE1-CZ 3.2Å; E1768-R1773 IonicContact OE1-NH1 3.96Å; E1768-R1773 IonicContact OE1-NH2 2.7Å; E1768-R1773 PolarHBondContact OE1-NH2 3.44Å; E1768-R1773 IonicContact OE2-CZ 3.93Å; E1768-R1773 IonicContact OE2-NH1 3.8Å; E1768-R1773 PolarHBondContact OE2-NH1 3.37Å; E1768-R1773 IonicContact OE2-NH2 2.75Å; E1768-R1773 PolarHBondContact OE2-NH2 3.41Å
1769T66.5Low76.6Confident29 Ų2980 Ų8018%0.17839%0.386CS..  trans-55116175.552.20000111.8D1763 V1771 L1772D1763-T1769 HydrophobicContact CB-CG2 3.93Å; D1763-T1769 VanDerWaalsContact CG-CA 3.41Å; D1763-T1769 VanDerWaalsContact OD2-CA 3.24Å; D1763-T1769 WeakPolarHBondContact OD2-CA 3.3Å; D1763-T1769 VanDerWaalsContact OD2-CB 3.24Å; D1763-T1769 WeakPolarHBondContact OD2-CB 3.23Å; T1769-V1771 PolarHBondContact O-N 2.72Å; T1769-L1772 PolarHBondContact O-N 2.87Å; T1769-L1772 VanDerWaalsContact OG1-CD1 3.24Å; T1769-L1772 WeakPolarHBondContact OG1-CD1 3.13Å; T1769-L1772 WeakPolarHBondContact OG1-CG 3.19Å
1770K80.8Confident77.2Confident137 Ų13775.3 Ų75.360%0.59636%0.364SS*.Hα-helixtrans-59.1-31175.5-70.7173.9179.5168.80112.1I1761 D1763 E1768 L1772 R1773I1761-K1770 HydrophobicContact CG2-CB 3.69Å; D1763-K1770 WeakPolarHBondContact OD1-CB 3.3Å; D1763-K1770 PolarHBondContact OD1-N 3.12Å; D1763-K1770 PolarHBondContact OD2-N 3.26Å; E1768-K1770 PolarHBondContact O-N 3.42Å; E1768-K1770 VanDerWaalsContact O-N 3.1Å; K1770-L1772 VanDerWaalsContact C-N 3.3Å; K1770-L1772 PolarHBondContact O-N 3.24Å; K1770-R1773 WeakPolarHBondContact O-CB 3.48Å; K1770-R1773 PolarHBondContact O-N 2.79Å; K1770-R1773 VanDerWaalsContact O-N 3.1Å
1771V86.9Confident77.7Confident18 Ų1865.1 Ų65.111%0.10932%0.324CS..Hα-helixtrans-56.3-42.8176.5169.50000111.6F1718 Y1720 I1761 D1763 T1769 R1773 E1774 I1775F1718-V1771 HydrophobicContact CE1-CG1 4.04Å; F1718-V1771 HydrophobicContact CE2-CG1 4.39Å; F1718-V1771 HydrophobicContact CZ-CG1 3.69Å; Y1720-V1771 HydrophobicContact CE1-CB 4.47Å; Y1720-V1771 HydrophobicContact CE1-CG1 4.04Å; Y1720-V1771 HydrophobicContact CE1-CG2 4.16Å; Y1720-V1771 WeakPolarHBondContact OH-CG2 3.21Å; I1761-V1771 HydrophobicContact CB-CG2 3.9Å; I1761-V1771 HydrophobicContact CG2-CG2 3.64Å; D1763-V1771 WeakPolarHBondContact OD2-CB 3.48Å; D1763-V1771 WeakPolarHBondContact OD2-CG2 3.48Å; D1763-V1771 PolarHBondContact OD2-N 3.22Å; T1769-V1771 PolarHBondContact O-N 2.72Å; V1771-R1773 VanDerWaalsContact C-N 3.26Å; V1771-R1773 PolarHBondContact O-N 3.4Å; V1771-E1774 PolarHBondContact O-N 3.46Å; V1771-I1775 HydrophobicContact CG1-CD1 3.67Å; V1771-I1775 HydrophobicContact CG1-CG1 4.44Å; V1771-I1775 WeakPolarHBondContact O-CG1 3.39Å; V1771-I1775 PolarHBondContact O-N 3.48Å
1772L88.1Confident78.4Confident48 Ų4863.3 Ų63.325%0.25132%0.315SS..Hα-helixtrans-67.2-24.4179.3-65.3-176000113.5Y1692 F1718 T1769 K1770 E1774Y1692-L1772 HydrophobicContact CD1-CD2 4.26Å; Y1692-L1772 HydrophobicContact CE1-CD2 3.69Å; F1718-L1772 HydrophobicContact CB-CD2 3.63Å; F1718-L1772 HydrophobicContact CD1-CD2 3.48Å; F1718-L1772 VanDerWaalsContact CD1-CD2 3.48Å; F1718-L1772 HydrophobicContact CD2-CD2 4.4Å; F1718-L1772 HydrophobicContact CE1-CD2 4.25Å; F1718-L1772 HydrophobicContact CG-CD2 3.56Å; T1769-L1772 PolarHBondContact O-N 2.87Å; T1769-L1772 VanDerWaalsContact OG1-CD1 3.24Å; T1769-L1772 WeakPolarHBondContact OG1-CD1 3.13Å; T1769-L1772 WeakPolarHBondContact OG1-CG 3.19Å; K1770-L1772 VanDerWaalsContact C-N 3.3Å; K1770-L1772 PolarHBondContact O-N 3.24Å; L1772-E1774 PolarHBondContact O-N 3.4Å
1773R88Confident79.1Confident118 Ų11865 Ų6545%0.44532%0.316SS..Hα-helixtrans-75.5-12.6174.1-69.7177.4162.6147.5-5.1113.2N1674 H1746 E1768 K1770 V1771N1674-R1773 VanDerWaalsContact CB-O 3.31Å; N1674-R1773 WeakPolarHBondContact CB-O 3.35Å; N1674-R1773 PolarHBondContact ND2-O 2.71Å; H1746-R1773 PolarHBondContact ND1-O 2.67Å; H1746-R1773 VanDerWaalsContact ND1-O 3.09Å; E1768-R1773 IonicContact OE1-CZ 3.2Å; E1768-R1773 IonicContact OE1-NH1 3.96Å; E1768-R1773 IonicContact OE1-NH2 2.7Å; E1768-R1773 PolarHBondContact OE1-NH2 3.44Å; E1768-R1773 IonicContact OE2-CZ 3.93Å; E1768-R1773 IonicContact OE2-NH1 3.8Å; E1768-R1773 PolarHBondContact OE2-NH1 3.37Å; E1768-R1773 IonicContact OE2-NH2 2.75Å; E1768-R1773 PolarHBondContact OE2-NH2 3.41Å; K1770-R1773 WeakPolarHBondContact O-CB 3.48Å; K1770-R1773 PolarHBondContact O-N 2.79Å; K1770-R1773 VanDerWaalsContact O-N 3.1Å; V1771-R1773 VanDerWaalsContact C-N 3.26Å; V1771-R1773 PolarHBondContact O-N 3.4Å
1774E89.5Confident80Confident52 Ų5265.5 Ų65.524%0.24332%0.323CS..THydrogen-bonded Turntrans-106.9-0.8178.7-70-71.5150.800112.8R1745 H1746 I1761 V1771 L1772R1745-E1774 CarbonylContact C-O 2.82Å; R1745-E1774 VanDerWaalsContact CA-O 3.31Å; R1745-E1774 WeakPolarHBondContact CA-O 3.28Å; R1745-E1774 WeakPolarHBondContact CG-O 3.26Å; R1745-E1774 IonicContact CZ-OE2 3.79Å; R1745-E1774 IonicContact NE-OE2 3.5Å; R1745-E1774 PolarHBondContact NE-OE2 3.1Å; R1745-E1774 IonicContact NH2-OE1 3.26Å; R1745-E1774 IonicContact NH2-OE2 2.8Å; R1745-E1774 PolarHBondContact NH2-OE2 3.3Å; H1746-E1774 PolarHBondContact N-O 3.46Å; I1761-E1774 HydrophobicContact CD1-CB 4.33Å; I1761-E1774 HydrophobicContact CD1-CG 3.72Å; V1771-E1774 PolarHBondContact O-N 3.46Å; L1772-E1774 PolarHBondContact O-N 3.4Å
1775I91.7Very high80.9Confident15 Ų1562.2 Ų62.28%0.07730%0.303CS..BIsolated β-bridgetrans-104.4135.6179.8-67.9173.6000111Y1692 F1718 Y1743 V1771Y1692-I1775 HydrophobicContact CD1-CG2 3.92Å; F1718-I1775 HydrophobicContact CD2-CD1 3.47Å; F1718-I1775 VanDerWaalsContact CD2-CD1 3.47Å; F1718-I1775 HydrophobicContact CE2-CD1 3.24Å; F1718-I1775 HydrophobicContact CG-CD1 4.27Å; F1718-I1775 HydrophobicContact CZ-CD1 3.88Å; Y1743-I1775 HydrophobicContact CG-CD1 4.48Å; Y1743-I1775 HydrophobicContact CG-CG2 4.46Å; V1771-I1775 HydrophobicContact CG1-CD1 3.67Å; V1771-I1775 HydrophobicContact CG1-CG1 4.44Å; V1771-I1775 WeakPolarHBondContact O-CG1 3.39Å; V1771-I1775 PolarHBondContact O-N 3.48Å
1776S95.4Very high81.4Confident0 Ų062.4 Ų62.40%030%0.298CS..  trans-65.2129.8176.4173.90000111.7Q1672 A1673 S1693 L1744Q1672-S1776 VanDerWaalsContact CA-OG 3.28Å; Q1672-S1776 WeakPolarHBondContact CA-OG 3.15Å; Q1672-S1776 PolarHBondContact N-OG 2.81Å; Q1672-S1776 VanDerWaalsContact N-OG 3.08Å; A1673-S1776 WeakPolarHBondContact O-CA 3.34Å; S1693-S1776 VanDerWaalsContact CB-O 3.25Å; S1693-S1776 WeakPolarHBondContact CB-O 3.47Å; S1693-S1776 PolarHBondContact N-O 2.95Å; S1693-S1776 VanDerWaalsContact OG-C 3.25Å; S1693-S1776 VanDerWaalsContact OG-CB 3.31Å; S1693-S1776 WeakPolarHBondContact OG-CB 3.49Å; S1693-S1776 PolarHBondContact OG-O 2.91Å; S1693-S1776 PolarHBondContact OG-OG 2.77Å; L1744-S1776 VanDerWaalsContact O-CB 3.26Å; L1744-S1776 WeakPolarHBondContact O-CB 3.44Å; L1744-S1776 PolarHBondContact O-N 3.01Å
1777R95.7Very high81.1Confident46 Ų4664.8 Ų64.817%0.17430%0.301CS..EExtended strand (participates in β ladder)trans-78.9155.9168.6-54.5-49.8-60.3-96.75.6111.5A1671 A1673 N1674 L1676 V1679 G1691 S1693A1671-R1777 PolarHBondContact N-O 3.46Å; A1673-R1777 PolarHBondContact O-N 3.07Å; N1674-R1777 WeakPolarHBondContact O-CG 3.45Å; L1676-R1777 HydrophobicContact CD1-CB 4.19Å; V1679-R1777 HydrophobicContact CG2-CB 3.85Å; G1691-R1777 PolarHBondContact O-NE 2.8Å; G1691-R1777 PolarHBondContact O-NH2 3.28Å; S1693-R1777 PolarHBondContact OG-O 3.42Å
1778C96.9Very high80.9Confident0 Ų060.6 Ų60.60%028%0.284CS..EExtended strand (participates in β ladder)trans-142.2164.9176.762.80000111.6F1669 H1670 G1691 Y1692 C1714F1669-C1778 CarbonylContact O-C 3.51Å; F1669-C1778 WeakPolarHBondContact O-CA 3.48Å; F1669-C1778 VanDerWaalsContact O-CB 3.24Å; F1669-C1778 WeakPolarHBondContact O-CB 3.47Å; H1670-C1778 WeakPolarHBondContact ND1-CB 3.4Å; G1691-C1778 PolarHBondContact N-O 2.66Å; G1691-C1778 PolarHBondContact O-N 3.3Å; Y1692-C1778 PolarHBondContact N-SG 2.82Å; Y1692-C1778 PolarHBondContact O-SG 3.3Å; Y1692-C1778 VanDerWaalsContact O-SG 3.38Å; C1714-C1778 WeakPolarHBondContact CA-SG 3.18Å; C1714-C1778 HydrophobicContact CB-CB 3.93Å; C1714-C1778 WeakPolarHBondContact CB-SG 3.45Å; C1714-C1778 WeakPolarHBondContact SG-CB 3.45Å; C1714-C1778 CovalentContact SG-SG 2.04Å; C1714-C1778 PolarHBondContact SG-SG 2.83Å
1779R97.1Very high80Confident33 Ų3364.8 Ų64.813%0.12530%0.296CS..EExtended strand (participates in β ladder)trans-144.2131.6178.8174169.1-81.2154.4-1108.1F1669 V1679 C1681 R1687 W1689 D1690F1669-R1779 PolarHBondContact N-O 2.8Å; F1669-R1779 PolarHBondContact O-N 2.69Å; V1679-R1779 HydrophobicContact CB-CB 4.13Å; V1679-R1779 HydrophobicContact CG1-CB 3.61Å; V1679-R1779 WeakPolarHBondContact O-CD 3.39Å; V1679-R1779 PolarHBondContact O-NH1 2.85Å; C1681-R1779 VanDerWaalsContact SG-CD 3.53Å; R1687-R1779 HydrophobicContact CB-CG 4.25Å; W1689-R1779 WeakPolarHBondContact O-CA 3.46Å; D1690-R1779 VanDerWaalsContact CG-NH2 3.29Å; D1690-R1779 WeakPolarHBondContact OD1-CB 3.28Å; D1690-R1779 WeakPolarHBondContact OD1-CG 3.39Å; D1690-R1779 IonicContact OD1-CZ 3.81Å; D1690-R1779 IonicContact OD1-NE 2.7Å; D1690-R1779 PolarHBondContact OD1-NE 3.22Å; D1690-R1779 IonicContact OD1-NH2 2.7Å; D1690-R1779 PolarHBondContact OD1-NH2 3.24Å; D1690-R1779 IonicContact OD2-CZ 3.99Å; D1690-R1779 IonicContact OD2-NE 2.96Å; D1690-R1779 IonicContact OD2-NH2 3.98Å; D1690-R1779 PolarHBondContact OD2-NH2 3.07Å
1780V97Very high78.2Confident0 Ų073 Ų730%033%0.329CS..EExtended strand (participates in β ladder)trans-93130.8172.3-179.20000108.8P1666 Y1667 A1668 L1688 W1689 P1711 C1714P1666-V1780 HydrophobicContact CB-CG1 4.06Å; Y1667-V1780 WeakPolarHBondContact O-CA 3.33Å; A1668-V1780 HydrophobicContact CB-CG2 4.24Å; L1688-V1780 HydrophobicContact CB-CG1 4.38Å; L1688-V1780 HydrophobicContact CD1-CG1 4.21Å; L1688-V1780 PolarHBondContact N-O 3.33Å; W1689-V1780 HydrophobicContact CD2-CB 3.91Å; W1689-V1780 HydrophobicContact CD2-CG2 4.03Å; W1689-V1780 VanDerWaalsContact CE2-CG2 3.45Å; W1689-V1780 HydrophobicContact CE3-CB 4.17Å; W1689-V1780 HydrophobicContact CE3-CG1 4.33Å; W1689-V1780 HydrophobicContact CG-CB 4.43Å; W1689-V1780 HydrophobicContact CG-CG2 4.49Å; W1689-V1780 HydrophobicContact CH2-CB 4.34Å; W1689-V1780 HydrophobicContact CH2-CG1 3.98Å; W1689-V1780 HydrophobicContact CH2-CG2 4.32Å; W1689-V1780 HydrophobicContact CZ2-CB 4.1Å; W1689-V1780 HydrophobicContact CZ2-CG1 4.17Å; W1689-V1780 HydrophobicContact CZ2-CG2 3.65Å; W1689-V1780 HydrophobicContact CZ3-CB 4.34Å; W1689-V1780 HydrophobicContact CZ3-CG1 4.04Å; W1689-V1780 PolarHBondContact O-N 2.82Å; P1711-V1780 HydrophobicContact CB-CG1 4.02Å; P1711-V1780 HydrophobicContact CB-CG2 4.27Å; P1711-V1780 HydrophobicContact CG-CG1 4.05Å; C1714-V1780 HydrophobicContact CB-CG2 3.62Å
1781C95.6Very high75.9Confident0 Ų076.3 Ų76.30%036%0.36CS..EExtended strand (participates in β ladder)trans-128149-176.7-51.30000110.3P1666 Y1667 F1669 C1681 W1685 A1686P1666-C1781 CarbonylContact C-O 3.54Å; P1666-C1781 VanDerWaalsContact CA-O 3.25Å; P1666-C1781 WeakPolarHBondContact CA-O 3.19Å; Y1667-C1781 PolarHBondContact N-O 2.91Å; Y1667-C1781 PolarHBondContact O-N 3.41Å; F1669-C1781 HydrophobicContact CD2-CB 4Å; F1669-C1781 HydrophobicContact CE2-CB 3.86Å; C1681-C1781 WeakPolarHBondContact CA-SG 3.13Å; C1681-C1781 HydrophobicContact CB-CB 3.82Å; C1681-C1781 WeakPolarHBondContact CB-SG 3.48Å; C1681-C1781 WeakPolarHBondContact SG-CB 3.35Å; C1681-C1781 CovalentContact SG-SG 2.03Å; C1681-C1781 PolarHBondContact SG-SG 3.3Å; W1685-C1781 HydrophobicContact CB-CB 4.28Å; W1685-C1781 HydrophobicContact CE3-CB 3.9Å; A1686-C1781 CarbonylContact O-C 3.46Å; A1686-C1781 VanDerWaalsContact O-CA 3.23Å; A1686-C1781 WeakPolarHBondContact O-CA 3.48Å
1782T93.7Very high75.3Confident14 Ų1479.3 Ų79.39%0.08637%0.373CS..EExtended strand (participates in β ladder)trans-126148.7165.2-165.70000111.6T1664 W1685 A1686 L1688 S1784T1664-T1782 PolarHBondContact O-OG1 3.42Å; T1664-T1782 PolarHBondContact OG1-OG1 2.8Å; T1664-T1782 VanDerWaalsContact OG1-OG1 3.05Å; W1685-T1782 CarbonylContact C-O 3.5Å; W1685-T1782 VanDerWaalsContact CA-O 3.3Å; W1685-T1782 WeakPolarHBondContact CA-O 3.09Å; W1685-T1782 WeakPolarHBondContact CB-O 3.47Å; A1686-T1782 PolarHBondContact N-O 2.71Å; A1686-T1782 PolarHBondContact O-N 2.65Å; L1688-T1782 HydrophobicContact CD1-CG2 4.38Å; L1688-T1782 HydrophobicContact CD2-CG2 3.84Å; L1688-T1782 HydrophobicContact CG-CG2 4.34Å; T1782-S1784 PolarHBondContact O-N 3.39Å
1783K91.4Very high74.7Confident117 Ų11780.9 Ų80.951%0.50938%0.379SS..EExtended strand (participates in β ladder)trans-75123.6-175-172.1172.9-178.5176.20110.4T1664 W1685 R1785T1664-K1783 WeakPolarHBondContact CB-O 3.29Å; T1664-K1783 HydrophobicContact CG2-CB 4.27Å; T1664-K1783 WeakPolarHBondContact CG2-O 3.41Å; T1664-K1783 PolarHBondContact OG1-O 3.27Å; W1685-K1783 HydrophobicContact CD2-CB 3.75Å; W1685-K1783 HydrophobicContact CD2-CG 4.3Å; W1685-K1783 HydrophobicContact CE3-CB 4.02Å; W1685-K1783 HydrophobicContact CG-CB 4.29Å; W1685-K1783 HydrophobicContact CG-CG 4.49Å; W1685-K1783 HydrophobicContact CH2-CB 4.11Å; W1685-K1783 HydrophobicContact CZ2-CB 3.88Å; W1685-K1783 HydrophobicContact CZ2-CD 4.21Å; W1685-K1783 HydrophobicContact CZ2-CG 4.32Å; W1685-K1783 HydrophobicContact CZ3-CB 4.18Å; K1783-R1785 PolarHBondContact O-N 2.68Å; K1783-R1785 VanDerWaalsContact O-N 3.13Å
1784S84.6Confident73.9Confident51 Ų5178.8 Ų78.836%0.35738%0.376SS..  trans-66.4115178.3-60.10000110.1G1684 T1782 F1786G1684-S1784 VanDerWaalsContact O-CB 3.27Å; G1684-S1784 WeakPolarHBondContact O-CB 3.29Å; G1684-S1784 PolarHBondContact O-N 3.23Å; G1684-S1784 PolarHBondContact O-OG 3.27Å; T1782-S1784 PolarHBondContact O-N 3.39Å; S1784-F1786 PolarHBondContact O-N 2.97Å
1785R72.9Confident73Confident99 Ų9980.4 Ų80.437%0.37438%0.384SS..SBendtrans-66.1-13.8177.4-126.1180-164.1-98.6-0.8113.1S1554 P1663 T1664 K1783S1554-R1785 VanDerWaalsContact N-NH2 3.11Å; S1554-R1785 PolarHBondContact OG-NH2 3.29Å; P1663-R1785 HydrophobicContact CB-CB 4.42Å; P1663-R1785 WeakPolarHBondContact O-CD 3.46Å; P1663-R1785 PolarHBondContact O-NE 3.26Å; T1664-R1785 HydrophobicContact CG2-CG 4.05Å; K1783-R1785 PolarHBondContact O-N 2.68Å; K1783-R1785 VanDerWaalsContact O-N 3.13Å
1786F56.1Low71.8Confident143 Ų14384.5 Ų84.563%0.62740%0.403SS*.  trans-121.689.1-178.3-66.6-79.5000111.8S1784 S1788S1784-F1786 PolarHBondContact O-N 2.97Å; F1786-S1788 PolarHBondContact O-N 2.73Å
1787Q42.1Very low70.3Confident153 Ų15390.1 Ų90.172%0.71543%0.43SS*.  trans-83.658.8147.9-79.5-175.5-47.500108.6Y1789Q1787-Y1789 PolarHBondContact O-N 2.77Å
1788S37.3Very low68.4Low69 Ų6993.3 Ų93.348%0.48345%0.448SS..  trans-85.489.5-177.652.70000110.9F1786 F1790F1786-S1788 PolarHBondContact O-N 2.73Å; S1788-F1790 PolarHBondContact O-N 3.07Å; S1788-F1790 VanDerWaalsContact O-N 3.13Å
1789Y32.6Very low66.2Low219 Ų219100.5 Ų100.586%0.85948%0.482SS*.  trans10.387.9152.2-68.4-97.1000116.5Q1787Q1787-Y1789 PolarHBondContact O-N 2.77Å
1790F28.7Very low63.7Low200 Ų200106.1 Ų106.188%0.87751%0.512SS*.  trans-118.594.5151.9-90.6-86.8000107.8S1788S1788-F1790 PolarHBondContact O-N 3.07Å; S1788-F1790 VanDerWaalsContact O-N 3.13Å
1791V32.1Very low60.6Low208 Ų208115.7 Ų115.7100%1.26156%0.559SS**  trans-138.50172.3178.90000106.9

Retrieved 1,791 of 1,791 residues in 846.8 ms (Link to these results)