A0A077Z453_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z453, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,543 aa.

>A0A077Z453_TRITR|A0A077Z453
MLEPKAVVEQPGSPYSVGPNEFQAQDRSFSKQGEGLNEKVESEIVNPEEQNNEWPEVQPTENLMNKALKLRKNNHALPNHYPHEWSESTRNAEHFGSYEKEMNIGKPRNTEILHDDSKPPLENIPAKAKKYQALEELEKIRPNELHRDEAVNRPNFPLFAKSDSTMAQAKYEVKEEKQPELERDVAQRSTPKVRINSWQPRLPVPIRNQKLMRSNTVVKPQQPFHDQQRIALYSGSSQSKGSVSQTRSAKNMVDIAANSPSFFTSEREQKDMGIYNGVRAPVKTVSVLQERTAPDSFVKKTAPFQQVDETSGPLEKWPGAKNVWSRQFLQQESVKARNGISSSLPAHQEQQSARDITPGGTKDIGKHKILIKQAAPSQQSLFLPKTTDYEKGPVKHFSEGMPEKREAEEEEEEADLAAILLPAQSKTAGLSKRHNSQPVDKNYRLPKLLHEERSEDLSATEEVAYPEETAVAFQPGLYGPKSAEPVNGRLEPKSLDVNEPDADAENLGSGETVQEAERVHEPVLSASTLISQRHKLPPAENLGISDSQRSRAQKALVSTLILGQVRHYRIVSQVTPYSKLVPEPDEKAPLKTSFTHVSDSETRETPFSFQSDYGRAPSQIENGFDEGRKNLAQDDYMAMRPEGVTKSAAPAASLITQQEESKMPKQESAPAVNMAHTDSSTEDINALFLPNLAPAPVRMAISRIILGLGTQTSQQGTPAKAQGEQPPYEKTDDQKFTQGSKPVAADRTPLSKQERVPWILEKKRPDQLTFQPVAVTDEHFSKDHSGGQETGGSFKEQEPQSVHPLEASLFREPSHVTKSGSATAAFRSQYSASHDFKEKPAQEAKNLRDISLPARQITMMRKPKLWNFELLREKPSFKAHYGFSRGIEPKEFSQDEDSREKISTRQQTFSKPSSYPGDIYRQEYKPVTTPQTFLQPLQWRDRVVHSGAPVYASRNGESVSIDQQQGLRKEARTDPVNRQMVESDKLHFMATVKPLRNVLEVSNAKTMPFAPLDLDDVSIARTLLQRDGANGNVMNFGFTKRPGEEVTVRRSQQLFLPLEQTAPGSSPREFHAKVLANVAPAYVSDEEDASAQRRTEPVKPDRKAAQSEPVSQLQRMLGVGYKTVEGQNEDVLSQSEYRGTTEKMRAVPLRPVHNTELPTLNQYQATSLGNRTRVRQPEYNGQGSAQYTTTYAPAVSDTNLIQTSPAREAANILELDREMNLALQNANLQPTSKKSPEQEKNIPYEPPKIMHQEQLPKDDQSSLSYGSEPSAKAVLPERSRIGYRLGKPSAFKVDVKEKEGITPRSRPVQALQSSFIPVTGVGIANYVSTPKTEKSVNEKTNERIVLKQKSHQWESLTHPPFVPVLANEVKANSAILPGGSPGVKLAMTQKSASFVKPQFEQAAEESIQRKGTEPTPKAGAKVTTVPTRPLQPVTYGLDYASPKISLWGLHEKKWIDFKNGLREAALQTFAVTSPPWKAEVDKKKVENKVNAPSTSDLISPFNLAGKFLQAKLASFFEGKPLLADEETDRIPEPKPTLRTGTTA
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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
1M37Very low36.8Very low240 Ų240160.8 Ų160.8100%1.18286%0.864SS**  0147.70-87.8178.3161.400108.2
2L37.2Very low36.4Very low179 Ų179153.6 Ų153.694%0.93786%0.856SS**  trans66.6150.7168.2-68.2164.5000118.3
3E34.8Very low37Very low181 Ų181151.2 Ų151.285%0.84686%0.856SS**  trans-107.6167.3-172-92.4-171.4158.700111.9
4P45.7Very low37.1Very low116 Ų116147.2 Ų147.275%0.75384%0.839SS**  trans-80.9162.6177.534.9-37.3000113.2
5K36.3Very low37.1Very low211 Ų211149.3 Ų149.392%0.91783%0.83SS**  trans-156.1152.9151.3-113155.6-171.81690111.3
6A32.8Very low37Very low91 Ų91146.9 Ų146.975%0.75283%0.826SS**  trans-113.1-177.1174.600000110.2
7V34.4Very low36.9Very low131 Ų131145.9 Ų145.979%0.79482%0.824SS**  trans133.4108.5153.4170.20000111.8
8V35.6Very low36.7Very low132 Ų132141.6 Ų141.680%0.882%0.817SS**  trans-154.2126.3143.1179.20000103.5
9E38Very low36.9Very low165 Ų165139.7 Ų139.777%0.77181%0.811SS**  cis-165.2149.7-17.4-110.3165.1-176.400104
10Q34Very low36.7Very low189 Ų189139.5 Ų139.588%0.88381%0.806SS**  trans-107.6145.8161.2-78.1-170.6-27.500107.8
11P38.8Very low36.8Very low134 Ų134141 Ų14187%0.8781%0.806SS**  -139.7171.9107.337.2-25.2000112.3
12G32.8Very low36.7Very low74 Ų74138.5 Ų138.576%0.76379%0.789SS**  cis172.6157.9-3.800000109.8
13S43.2Very low36.9Very low123 Ų123138.1 Ų138.186%0.8678%0.782SS**  trans-130.2128.6-178.7179.20000111
14P39.4Very low37Very low95 Ų95133.1 Ų133.162%0.61777%0.771SS**  trans-121.9133.7173.916.36.1000115.3
15Y36.5Very low36.3Very low179 Ų179135.7 Ų135.770%0.70277%0.774SS**  trans50.2133.8139.1-47.7-53.6000121.5D1259Y15-D1259 WeakPolarHBondContact CE2-OD1 3.38Å
16S36.3Very low36.4Very low110 Ų110130.8 Ų130.877%0.76976%0.757SS**  cis75.91588.8-152.10000118.4
17V34.2Very low36.8Very low131 Ų131136.1 Ų136.179%0.79476%0.758SS**  trans73.7145.1-173.7-168.90000113.4
18G33.3Very low36.8Very low68 Ų68134.5 Ų134.570%0.70175%0.752SS**  cis149-165-3.400000111.9
19P40.1Very low36.9Very low106 Ų106137.9 Ų137.969%0.68876%0.757SS**  -135.6-159.3-84.640.6-25.8000114.5
20N33.3Very low36.6Very low135 Ų135134 Ų13472%0.72275%0.748SS**  trans79.3129.4170.3-60.14.5000116.3
21E39.8Very low36.7Very low171 Ų171134.3 Ų134.380%0.79975%0.746SS**  cis81.9115.641.6-70.3-168.817700114.9
22F35Very low36.3Very low187 Ų187134.8 Ų134.882%0.8274%0.737SS**  trans-165.2127.8147.9-115.5-72.7000112.6
23Q40.9Very low36.7Very low172 Ų172134 Ų13480%0.80473%0.729SS**  trans58.3150159.6-75.6158.719.100119.8
24A37Very low36.2Very low75 Ų75136.5 Ų136.562%0.6273%0.727SS**  cis-163.5171.7-2000000111
25Q31.3Very low36Very low171 Ų171134.5 Ų134.580%0.79972%0.724SS**  trans7.8139.2144.8-61.1161.8-12.300117
26D37.9Very low36.4Very low108 Ų108132.7 Ų132.758%0.57873%0.726SS**  -172.417056.5-160.59.8000112.9
27R41.3Very low36.8Very low202 Ų202133.9 Ų133.976%0.76272%0.724SS**  trans68.4133.9169.8-64.9137.3-144.3-156.47.1116.7
28S34.3Very low37.1Very low97 Ų97133.2 Ų133.268%0.67871%0.712SS**  cis88.4133.835.5-60.40000114.2
29F37.4Very low37.3Very low203 Ų203137.1 Ų137.189%0.8971%0.709SS**  trans65.7121.4178.4-67.8-79.8000117.6K31F29-K31 PolarHBondContact O-N 3.28Å
30S31.7Very low37Very low83 Ų83137 Ų13758%0.5871%0.706SS**  trans-71.3111156.951.30000109.6Q32S30-Q32 WeakPolarHBondContact O-CB 3.25Å; S30-Q32 PolarHBondContact O-OE1 2.95Å; S30-Q32 PolarHBondContact OG-OE1 3.27Å
31K35.1Very low37.2Very low197 Ų197138.2 Ų138.286%0.85771%0.708SS**  trans-103.4111.8130.3-90.3-156.6171.1-1730106.6F29F29-K31 PolarHBondContact O-N 3.28Å
32Q32Very low36.9Very low143 Ų143134.8 Ų134.867%0.66870%0.703SS**  cis62.3115.721-143.1175.9-20.500110.3S30S30-Q32 WeakPolarHBondContact O-CB 3.25Å; S30-Q32 PolarHBondContact O-OE1 2.95Å; S30-Q32 PolarHBondContact OG-OE1 3.27Å
33G40.5Very low37Very low59 Ų59133.9 Ų133.961%0.60870%0.701SS**  trans102.1103.1-139.200000109
34E32.3Very low36.7Very low174 Ų174132.7 Ų132.781%0.81370%0.699SS**  cis59.3157.510-173.8173.8-139.600113.3
35G35.8Very low36.5Very low54 Ų54134.6 Ų134.656%0.55770%0.702SS**  trans83.8136-172.800000112.2
36L44.4Very low36.5Very low141 Ų141132 Ų13274%0.73869%0.694SS**SBendcis-135.1139.2-2.8-69.9167.2000108E38L36-E38 HydrophobicContact CD2-CG 3.95Å
37N44.7Very low36.9Very low135 Ų135131.9 Ų131.972%0.72270%0.699SS**SBendcis-122.1126.920-63.5-74.6000111.1
38E40.6Very low36.8Very low116 Ų116131.2 Ų131.254%0.54271%0.705SS.*  71135.194.8-63.1-166.1152.200114.4L36L36-E38 HydrophobicContact CD2-CG 3.95Å
39K36.9Very low37Very low150 Ų150132.7 Ų132.765%0.65270%0.701SS**  cis-158.4136.97.3-115.6156.4-172.6150.30111
40V34.5Very low36.8Very low103 Ų103129.6 Ų129.662%0.62469%0.689SS**  54.3133.1116.3171.40000119.4
41E37.9Very low36.9Very low162 Ų162132.2 Ų132.276%0.75770%0.697SS**  cis-170.1164.3-6.3-115.7170.5-175.200113.1
42S32.7Very low36.8Very low99 Ų99128.8 Ų128.869%0.69269%0.688SS**  trans55.5156.2148.1600000122.8
43E36.8Very low36.8Very low167 Ų167129.2 Ų129.278%0.7869%0.69SS**  cis-160.6151-15-101.3-178.3135.700107
44I35.5Very low36.4Very low147 Ų147137.7 Ų137.775%0.75470%0.704SS**  cis87.4125.542.1-67.1174000113.1
45V32.3Very low36.7Very low115 Ų115134.6 Ų134.670%0.69770%0.699SS**  cis-166.3156.3-15.7104.80000112.5
46N32.6Very low36.4Very low117 Ų117140.8 Ų140.863%0.62671%0.713SS**  trans63.2152.6169.9-75.2-28.8000120.4
47P44.9Very low36Very low105 Ų105140 Ų14068%0.68271%0.714SS**  trans-101.1160.7175.839-34.7000115.5
48E40.7Very low35.9Very low188 Ų188141.4 Ų141.488%0.87972%0.716SS**  trans55.4119156.4-67.1166.7-160.700118.1
49E36.7Very low35.8Very low128 Ų128141.6 Ų141.660%0.59873%0.727SS**  cis-151138.532-69-177.8122.200112.4
50Q35Very low35.8Very low139 Ų139137.7 Ų137.765%0.6572%0.716SS**  trans-162.6118.3133.4-113.5-174.916.800109.5P1288Q50-P1288 PolarHBondContact NE2-O 3.1Å
51N33.2Very low35.9Very low137 Ų137142.2 Ų142.273%0.73373%0.731SS**  trans-83.4134170.4-69.5-73.7000109.5
52N33.2Very low35.5Very low125 Ų125140.7 Ų140.767%0.66873%0.727SS**  -177.8162.3113-9914.1000114.3
53E32.7Very low35.9Very low153 Ų153140.4 Ų140.472%0.71572%0.718SS**  trans62.278.9150.1-72152.2-117.100119.5
54W30.5Very low35.8Very low237 Ų237139.7 Ų139.790%0.89872%0.716SS**  34.3142.4105.5-66.471000119.6
55P38.3Very low36Very low109 Ų109139.7 Ų139.771%0.70872%0.718SS**  -141.7-156.1-56.339.1-18.7000111.6
56E29.6Very low35.8Very low184 Ų184142.3 Ų142.386%0.8672%0.72SS**  trans89.3155153.5-152.1165.7-130.700119.2
57V35.9Very low36Very low125 Ų125140.6 Ų140.676%0.75872%0.722SS**  trans7596.7175.2-164.70000118
58Q42.8Very low35.5Very low163 Ų163142.9 Ų142.976%0.76273%0.727SS**  trans-83.8144151.5-67.6178.9-3500110.7T60Q58-T60 HydrophobicContact CB-CG2 4.24Å; Q58-T60 WeakPolarHBondContact O-CG2 3.43Å
59P38.8Very low34.9Very low120 Ų120143 Ų14378%0.77973%0.725SS**  trans-114.2121.3148.633.4-22.6000110
60T37.5Very low34.9Very low68 Ų68143.7 Ų143.742%0.41773%0.732SS.*  cis96.166.924.780.40000116.5Q58 L63Q58-T60 HydrophobicContact CB-CG2 4.24Å; Q58-T60 WeakPolarHBondContact O-CG2 3.43Å; T60-L63 HydrophobicContact CG2-CB 4.32Å; T60-L63 HydrophobicContact CG2-CD1 3.65Å; T60-L63 HydrophobicContact CG2-CG 3.73Å
61E36Very low35Very low199 Ų199148.2 Ų148.293%0.9374%0.743SS**THydrogen-bonded Turn-87.7128.5122.6-68.9-164.4150.500108.2
62N31Very low35.2Very low129 Ų129150.7 Ų150.769%0.6975%0.747SS**THydrogen-bonded Turncis-129106.2-8.3-165.3-29.8000110M64N62-M64 PolarHBondContact O-N 3.41Å; N62-M64 PolarHBondContact OD1-N 2.75Å
63L39.1Very low34.8Very low94 Ų94152 Ų15249%0.49275%0.754SS.*  trans-78.967.6172.7-105.8-173.2000111T60 N65 K66T60-L63 HydrophobicContact CG2-CB 4.32Å; T60-L63 HydrophobicContact CG2-CD1 3.65Å; T60-L63 HydrophobicContact CG2-CG 3.73Å; L63-N65 PolarHBondContact O-N 3.34Å; L63-K66 HydrophobicContact CD2-CB 3.77Å; L63-K66 HydrophobicContact CD2-CD 4.18Å; L63-K66 HydrophobicContact CD2-CG 3.87Å
64M36.6Very low35.1Very low151 Ų151151.1 Ų151.174%0.74475%0.754SS**  trans-80.8102.4151.6-73-155.9175.500109.1N62N62-M64 PolarHBondContact O-N 3.41Å; N62-M64 PolarHBondContact OD1-N 2.75Å
65N37.8Very low35.3Very low148 Ų148147.7 Ų147.779%0.79175%0.748SS**  trans79.753.8160.7-46.4-49000118.3L63L63-N65 PolarHBondContact O-N 3.34Å
66K29.5Very low34.7Very low170 Ų170146.2 Ų146.274%0.73975%0.745SS**SBend-74.3152.5127-85-175.7179.2172.10108.2L63L63-K66 HydrophobicContact CD2-CB 3.77Å; L63-K66 HydrophobicContact CD2-CD 4.18Å; L63-K66 HydrophobicContact CD2-CG 3.87Å
67A35.7Very low34.7Very low80 Ų80143.3 Ų143.366%0.66174%0.735SS**  trans66.766173.300000117.8K69A67-K69 HydrophobicContact CB-CB 4.49Å; A67-K69 HydrophobicContact CB-CG 4.25Å; A67-K69 PolarHBondContact O-N 3.48Å
68L34.3Very low34.4Very low154 Ų154143.3 Ų143.381%0.80674%0.738SS**  trans-87.461.1131.5-146.2164.1000109L70L68-L70 VanDerWaalsContact C-N 3.26Å; L68-L70 HydrophobicContact CD2-CB 4.18Å; L68-L70 PolarHBondContact O-N 3.06Å
69K29.5Very low33.9Very low190 Ų190141.1 Ų141.183%0.82673%0.731SS**  trans-76.469.3174.7-83.2-174.9173.5178.20109.9A67A67-K69 HydrophobicContact CB-CB 4.49Å; A67-K69 HydrophobicContact CB-CG 4.25Å; A67-K69 PolarHBondContact O-N 3.48Å
70L37.1Very low33.3Very low142 Ų142141.5 Ų141.574%0.74372%0.722SS**  trans-137.4132.2173-73.6177.1000112.5L68L68-L70 VanDerWaalsContact C-N 3.26Å; L68-L70 HydrophobicContact CD2-CB 4.18Å; L68-L70 PolarHBondContact O-N 3.06Å
71R36.9Very low32.7Very low234 Ų234148 Ų14888%0.88374%0.74SS**  trans72.4109.1-173.3-55.6-176.7178.1-166.6-2.1112.1
72K36Very low32.6Very low189 Ų189143.3 Ų143.382%0.82273%0.728SS**  66.311576.4-68.9-178.1179.2-172.10109.5
73N26.2Very low32.7Very low152 Ų152143.8 Ų143.881%0.81373%0.725SS**  cis49.561.741.7-100.129.7000111.7
74N38.9Very low32.2Very low135 Ų135146.7 Ų146.772%0.72274%0.737SS**  -147.8132.6123.6-90.8-13.1000105.6
75H34.8Very low32.1Very low165 Ų165150.8 Ų150.876%0.76474%0.744SS**  45.888.780.2-65.8-73000109.9
76A26Very low31.7Very low79 Ų79148 Ų14865%0.65374%0.736SS**  69.9161.878.200000112.9
77L28.4Very low32Very low123 Ų123148.2 Ų148.264%0.64474%0.739SS**  trans74.8153.4178.6-39.9-170.6000113.6N79L77-N79 WeakPolarHBondContact CB-O 3.44Å; L77-N79 HydrophobicContact CD2-CB 4.26Å; L77-N79 WeakPolarHBondContact CD2-O 3.44Å
78P30.1Very low31.6Very low125 Ų125148.9 Ų148.981%0.81274%0.74SS**  cis-70.2136.1-5.931.7-34.5000110.2
79N32.1Very low31.6Very low116 Ų116146.6 Ų146.662%0.6273%0.732SS**SBendcis-39.7128.234.5-56.72000119.7L77L77-N79 WeakPolarHBondContact CB-O 3.44Å; L77-N79 HydrophobicContact CD2-CB 4.26Å; L77-N79 WeakPolarHBondContact CD2-O 3.44Å
80H26.3Very low32.1Very low129 Ų129148.9 Ų148.960%0.59774%0.735SS**  trans64.8143.9172.1-39.7-67.7000113.9
81Y24.7Very low31.9Very low203 Ų203147 Ų14780%0.79673%0.727SS**  cis-138.6-162.811.8-80.9-86.7000109.4
82P34.2Very low31.9Very low102 Ų102137.6 Ų137.666%0.66270%0.699SS**  -107.2-167.1-62.434.4-19.4000108.6
83H32.8Very low31.9Very low138 Ų138132.8 Ų132.864%0.63968%0.679SS**  cis-123.5162.50.8-93.3-77.9000106.8
84E27.6Very low32.6Very low156 Ų156131 Ų13173%0.72967%0.666SS**  54157.964.9-49.6-177142.300114.8
85W35.3Very low32.3Very low236 Ų236129.3 Ų129.389%0.89465%0.652SS**  trans68.5127.6-161-56.865.5000113.1
86S29.9Very low32Very low90 Ų90125.2 Ų125.263%0.62965%0.654SS**  cis-163.6179.7-14.5390000108
87E34.5Very low32.2Very low174 Ų174125.5 Ų125.581%0.81365%0.651SS**  trans68.1107.2175.2-53.2-178.5176.600113.4
88S29Very low32.3Very low95 Ų95129 Ų12966%0.66466%0.657SS**  cis64.2140.730.2980000115.3
89T34.2Very low32.4Very low106 Ų106129 Ų12965%0.6565%0.647SS**  trans57.555.4154.149.40000118
90R39.6Very low32.7Very low237 Ų237129.8 Ų129.889%0.89464%0.644SS**  -127.5117.5120.2-96.1-177.8-172.4174.73.1107.4
91N32.4Very low32.9Very low104 Ų104129.4 Ų129.456%0.55664%0.643SS**  cis57.9130.938.3-44.812.2000110.6
92A36.3Very low33.2Very low36 Ų36123.4 Ų123.430%0.29862%0.623SS.*  cis-153.6-170.11600000111.3H94 S377 Q378A92-H94 PolarHBondContact O-N 3.38Å; A92-S377 PolarHBondContact O-OG 3.03Å; A92-Q378 CarbonylContact C-O 2.92Å
93E36.8Very low33.1Very low88 Ų88120.2 Ų120.241%0.41160%0.6SS.*  trans21.7103.3143.6-81.379.9-112.800115Q378 Q379 S380E93-Q378 CarbonylContact C-O 3.49Å; E93-Q378 WeakPolarHBondContact CA-O 3.24Å; E93-Q378 PolarHBondContact N-O 3.15Å; E93-Q379 VanDerWaalsContact OE1-CD 3.22Å; E93-Q379 PolarHBondContact OE1-NE2 3.49Å; E93-S380 PolarHBondContact OE1-OG 2.99Å
94H39.9Very low33.2Very low115 Ų115119.6 Ų119.653%0.53260%0.6SS.*  -162.7178.260.4-90.2-36.7000118.5A92 Q378 Q379A92-H94 PolarHBondContact O-N 3.38Å; H94-Q378 PolarHBondContact N-O 2.66Å; H94-Q378 CarbonylContact O-C 3.2Å; H94-Q378 PolarHBondContact O-N 2.87Å; H94-Q379 WeakPolarHBondContact CA-O 3.41Å; H94-Q379 PolarHBondContact ND1-O 2.78Å
95F34.3Very low33.6Very low99 Ų99114.3 Ų114.343%0.43459%0.588SS.*  trans-44.4164.4157.6-65.7-80.2000115.6S380 L381F95-S380 WeakPolarHBondContact CE2-O 3.19Å; F95-L381 WeakPolarHBondContact CE2-O 3.33Å; F95-L381 VanDerWaalsContact CZ-C 3.43Å; F95-L381 VanDerWaalsContact CZ-O 3.31Å; F95-L381 WeakPolarHBondContact CZ-O 3.5Å
96G27.8Very low33.6Very low78 Ų78111.8 Ų111.880%0.80458%0.583SS**  cis91.430.22.900000115.5
97S30.9Very low34Very low85 Ų85111.1 Ų111.159%0.59458%0.577SS**  trans-150.6127.6-179.956.10000113.1
98Y28.9Very low34.2Very low197 Ų197113.2 Ų113.277%0.77358%0.578SS**  trans53.5140.6139.1-75.2-104.4000121.1
99E33.3Very low34.5Very low126 Ų126114.3 Ų114.359%0.58958%0.576SS**  trans46.4126142.9-64.1164.3-16000119.4E101E99-E101 WeakPolarHBondContact CA-OE1 3.36Å
100K38.6Very low34.3Very low132 Ų132115.2 Ų115.257%0.57458%0.581SS**  trans115.393154.9-56.3148.1-153.682.20114.7
101E30.1Very low34.2Very low121 Ų121111.5 Ų111.557%0.56557%0.574SS**  cis58127.6-3.4134-75.1-48.800118.3E99 R354E99-E101 WeakPolarHBondContact CA-OE1 3.36Å; E101-R354 WeakPolarHBondContact O-CD 3.2Å; E101-R354 VanDerWaalsContact O-CZ 3.26Å; E101-R354 PolarHBondContact O-NE 3.12Å; E101-R354 PolarHBondContact O-NH2 2.78Å
102M30.9Very low34.4Very low77 Ų77112.6 Ų112.638%0.37958%0.579SS.*  trans7793.3-179.4-79.4-74.5-170.700120.3P107 R354 D355M102-P107 HydrophobicContact CE-CB 3.87Å; M102-P107 HydrophobicContact SD-CB 3.7Å; M102-R354 VanDerWaalsContact C-NE 3.29Å; M102-R354 PolarHBondContact O-NE 2.79Å; M102-R354 PolarHBondContact O-NH1 3.44Å; M102-R354 PolarHBondContact O-NH2 3.29Å; M102-D355 WeakPolarHBondContact CA-OD2 3.46Å; M102-D355 PolarHBondContact N-OD2 2.68Å
103N31.7Very low34.3Very low35 Ų35117.1 Ų117.119%0.18760%0.597CS.*  trans79.2141.9149.7-48.6-52.9000117.8G105 K106 A353 R354 D355N103-G105 WeakPolarHBondContact OD1-CA 3.39Å; N103-K106 VanDerWaalsContact OD1-CA 3.29Å; N103-K106 WeakPolarHBondContact OD1-CA 3.13Å; N103-K106 PolarHBondContact OD1-N 3.04Å; N103-A353 CarbonylContact C-O 3.3Å; N103-A353 VanDerWaalsContact C-O 3.28Å; N103-R354 WeakPolarHBondContact O-CB 3.28Å; N103-R354 PolarHBondContact O-NE 2.75Å; N103-R354 VanDerWaalsContact O-NE 3.09Å; N103-R354 PolarHBondContact O-NH1 2.83Å; N103-D355 PolarHBondContact N-OD2 3.23Å
104I35.1Very low33.8Very low124 Ų124120.2 Ų120.264%0.63661%0.611SS**SBendcis-117.6107.937.2-43.991.9000114.6A353I104-A353 PolarHBondContact N-O 3.09Å
105G36.9Very low33.5Very low46 Ų46120.3 Ų120.347%0.47462%0.616SS.*SBendcis116.7179.3-14.500000117.4N103N103-G105 WeakPolarHBondContact OD1-CA 3.39Å
106K33.5Very low33.5Very low182 Ų182121.4 Ų121.479%0.79163%0.626SS**  trans158.7150.3140.5-87.6176.1179.8-178.70110.7N103N103-K106 VanDerWaalsContact OD1-CA 3.29Å; N103-K106 WeakPolarHBondContact OD1-CA 3.13Å; N103-K106 PolarHBondContact OD1-N 3.04Å
107P39.7Very low34.3Very low76 Ų76122.8 Ų122.849%0.49462%0.624SS.*  trans-133.1-179.4-138.742.1-26.6000114.9M102M102-P107 HydrophobicContact CE-CB 3.87Å; M102-P107 HydrophobicContact SD-CB 3.7Å
108R38.4Very low34.1Very low219 Ų219127.6 Ų127.683%0.82663%0.634SS**  -170.4150.4120.6-105.9-179.1164.2150.9-4.8114.8
109N35.4Very low35Very low118 Ų118123.3 Ų123.363%0.63163%0.63SS**  trans52.993.8151.2-65.934000120.2
110T29.3Very low35.2Very low125 Ų125122.7 Ų122.777%0.76764%0.637SS**  -38.4151.6121.748.40000113.8
111E36.9Very low34.7Very low159 Ų159123.8 Ų123.874%0.74365%0.648SS**  trans-161.3140132.2-115.7174.9-155.500113.1
112I36.9Very low35Very low126 Ų126125.9 Ų125.965%0.64666%0.658SS**  trans62.8102.3137.2-77168.1000118.7
113L35.2Very low35.2Very low131 Ų131128 Ų12869%0.68667%0.671SS**  94.814398-75.1-177.3000111
114H26.5Very low35.1Very low154 Ų154132.8 Ų132.871%0.71370%0.695SS**  57.1130.270.5-89.4-105.3000110.2
115D32.9Very low35.2Very low117 Ų117132.4 Ų132.463%0.62670%0.701SS**  cis-160.515447.1-102.6-36.5000117.1
116D35.3Very low35.1Very low121 Ų121134.3 Ų134.365%0.64771%0.712SS**  trans50.2175133.5-73.4-11.2000126.1
117S43.9Very low35.3Very low108 Ų108136 Ų13676%0.75572%0.719SS**  trans50.880.4178.753.60000115.2
118K26.1Very low35.8Very low186 Ų186136.3 Ų136.381%0.80973%0.728SS**  cis56.1131.935.9-107.6-180-174.6169.10114.2
119P48.1Very low35.8Very low106 Ų106135 Ų13569%0.68873%0.728SS**  trans-91.8179.8-17440.2-38.8000112.7
120P38.7Very low36Very low114 Ų114138 Ų13874%0.7474%0.736SS**  -119.3139.7118.1-2.523.4000111.3
121L28.3Very low36.3Very low154 Ų154141.9 Ų141.981%0.80674%0.738SS**  60.3126.377.8-60.7165.2000112
122E35.1Very low36.2Very low166 Ų166143 Ų14378%0.77674%0.743SS**  -148.2156.186.4-94.5-152.8136.200117.8
123N35Very low35.9Very low122 Ų122140.5 Ų140.565%0.65274%0.741SS**  trans64.896.6143.5-68.1-33.3000122.4
124I29.4Very low35.8Very low134 Ų134140.5 Ų140.569%0.68774%0.741SS**  trans-102.2129.4152.4-58.9166.4000109.3A126I124-A126 HydrophobicContact CG2-CB 4.22Å
125P37.9Very low36.7Very low116 Ų116141.1 Ų141.175%0.75374%0.744SS**  trans-106.4114.1160.633-25.5000111.5
126A33.9Very low36.8Very low86 Ų86142.6 Ų142.671%0.71175%0.747SS**  trans-110.294.8-17100000114.5I124I124-A126 HydrophobicContact CG2-CB 4.22Å
127K37.9Very low37.1Very low219 Ų219144.3 Ų144.395%0.95276%0.756SS**SBendtrans-139.5-0.3151.4-80.4-163.4177.2-178.60113.7
128A51.9Low36.9Very low81 Ų81147.4 Ų147.467%0.66976%0.758SS**SBendtrans-108.8135.7-169.400000111.8K130A128-K130 PolarHBondContact O-N 3.32Å; A128-K130 VanDerWaalsContact O-N 3.16Å
129K36.5Very low36.9Very low193 Ų193148.9 Ų148.984%0.83977%0.765SS**  trans-72106.4175.7-63.9176.6-178.4177.70107.6Y131K129-Y131 WeakPolarHBondContact O-CD2 3.18Å; K129-Y131 PolarHBondContact O-N 2.64Å
130K40Very low36.1Very low181 Ų181151.1 Ų151.179%0.78777%0.769SS**  trans-62.5120.2-166.8-66-171.7175.4-171.30111.5A128A128-K130 PolarHBondContact O-N 3.32Å; A128-K130 VanDerWaalsContact O-N 3.16Å
131Y35.6Very low35.9Very low205 Ų205154.8 Ų154.880%0.80477%0.768SS**  trans-115.2156.3178.1-97.9-81000110.4K129K129-Y131 WeakPolarHBondContact O-CD2 3.18Å; K129-Y131 PolarHBondContact O-N 2.64Å
132Q35.9Very low36Very low183 Ų183152.5 Ų152.586%0.85576%0.762SS**  trans68144.6153.9-77.2176.2-36.800117.5
133A30.5Very low35.8Very low73 Ų73152.3 Ų152.360%0.60377%0.767SS**  cis-158.6166.2-10.400000110.3
134L33.6Very low35.9Very low131 Ų131152.5 Ų152.569%0.68676%0.764SS**  trans65.1143.5158-66.8152.8000115.3
135E44.5Very low36.2Very low167 Ų167153.4 Ų153.478%0.7877%0.769SS**  cis-126.5142.32.3-109148.5-178.300107.5
136E34.3Very low36Very low148 Ų148156.1 Ų156.169%0.69277%0.772SS**  cis58.288.539.2-53.8-167.1165.200110.9
137L41.4Very low35.9Very low157 Ų157159.8 Ų159.882%0.82277%0.767SS**  177.5149.997.6-84.1147.8000106.9
138E39.6Very low35.6Very low174 Ų174153.7 Ų153.781%0.81375%0.745SS**SBendcis-127.8132.94.2-61.6-177.6117.100111.2
139K27.4Very low34.9Very low216 Ų216157.8 Ų157.894%0.93975%0.75SS**  trans-138.939.3162.1-95.2-164.7176.8-177.90111.8
140I31.6Very low34.5Very low153 Ų153152.8 Ų152.879%0.78575%0.745SS**  trans-133.975.6179-45.6-176.5000111.6
141R33.1Very low34.4Very low192 Ų192150.2 Ų150.273%0.72574%0.744SS**  trans-166.291.9150.3-116.6169.7173.4-123.4-16.3112.7E144R141-E144 IonicContact CZ-OE1 3.87Å; R141-E144 IonicContact CZ-OE2 2.68Å; R141-E144 IonicContact NH1-OE1 3.61Å; R141-E144 PolarHBondContact NH1-OE1 2.7Å; R141-E144 IonicContact NH1-OE2 2.66Å; R141-E144 PolarHBondContact NH1-OE2 3.24Å; R141-E144 IonicContact NH2-OE1 2.71Å; R141-E144 PolarHBondContact NH2-OE1 3.49Å; R141-E144 IonicContact NH2-OE2 3.66Å
142P30.4Very low34.5Very low105 Ų105147.4 Ų147.468%0.68274%0.743SS**  trans-84.8154.7153.534.2-30.5000110.6
143N30.8Very low34.6Very low162 Ų162149.9 Ų149.987%0.86675%0.745SS**  trans69.953.6162.1-54.5-9.4000118.1
144E36.8Very low34.9Very low127 Ų127151.3 Ų151.359%0.59375%0.748SS**  trans-111.5142.4138.2-77.3177.8172.100107.2R141R141-E144 IonicContact CZ-OE1 3.87Å; R141-E144 IonicContact CZ-OE2 2.68Å; R141-E144 IonicContact NH1-OE1 3.61Å; R141-E144 PolarHBondContact NH1-OE1 2.7Å; R141-E144 IonicContact NH1-OE2 2.66Å; R141-E144 PolarHBondContact NH1-OE2 3.24Å; R141-E144 IonicContact NH2-OE1 2.71Å; R141-E144 PolarHBondContact NH2-OE1 3.49Å; R141-E144 IonicContact NH2-OE2 3.66Å
145L37.2Very low34.7Very low153 Ų153152 Ų15280%0.80175%0.752SS**  cis-156.3156.9-17-135.1163.4000106.4R147L145-R147 PolarHBondContact O-N 3.48Å
146H32.8Very low34.3Very low173 Ų173152.9 Ų152.980%0.80175%0.754SS**  trans-68.3134.4169.9-90.3-104000110.7
147R33.1Very low34.3Very low162 Ų162151.2 Ų151.261%0.61176%0.756SS**  trans23121.1134.2-92.2-169.6-176-174.60.9118.2L145L145-R147 PolarHBondContact O-N 3.48Å
148D31.5Very low34.3Very low91 Ų91149.6 Ų149.649%0.48775%0.747SS.*  trans67.6122149.9-52.3-79.6000115.8R1538D148-R1538 IonicContact OD1-CZ 3.11Å; D148-R1538 IonicContact OD1-NH1 2.78Å; D148-R1538 PolarHBondContact OD1-NH1 3.09Å; D148-R1538 IonicContact OD1-NH2 2.7Å; D148-R1538 PolarHBondContact OD1-NH2 2.76Å; D148-R1538 IonicContact OD2-CZ 3.07Å; D148-R1538 IonicContact OD2-NE 3.81Å; D148-R1538 IonicContact OD2-NH1 3.38Å; D148-R1538 PolarHBondContact OD2-NH1 2.85Å; D148-R1538 IonicContact OD2-NH2 2.64Å; D148-R1538 PolarHBondContact OD2-NH2 2.69Å
149E36.5Very low33.8Very low167 Ų167150.6 Ų150.678%0.7875%0.749SS**  -144.7138.967-89.5164.5177.100111
150A28Very low33.7Very low89 Ų89143.9 Ų143.974%0.73673%0.734SS**  67.9126.176.300000114.6
151V37.3Very low33.7Very low127 Ų127145.4 Ų145.477%0.7774%0.735SS**  trans-178.5134.2137143.50000108.3
152N38.8Very low33.4Very low146 Ų146140.3 Ų140.378%0.78173%0.729SS**SBendtrans63.9128.3176.4-67.1-38000116.5
153R36.5Very low33.3Very low234 Ų234142.4 Ų142.488%0.88373%0.734SS**  cis-133.7163.65.7-105.2170.2179.2172.1-0.9111.5
154P37.4Very low33.3Very low103 Ų103139.2 Ų139.267%0.66973%0.725SS**  trans-104.3167.5-145.640.4-39.2000115.8
155N29.9Very low33Very low145 Ų145138.4 Ų138.478%0.77573%0.729SS**  trans40.5117.7139.9-60.8-0.4000119.2P157N155-P157 WeakPolarHBondContact O-CD 2.99Å
156F36.4Very low32.9Very low187 Ų187139.8 Ų139.882%0.8273%0.733SS**  trans-40.3140136.8-92.6-108.7000110.5L158F156-L158 HydrophobicContact CD1-CG 4.24Å; F156-L158 HydrophobicContact CE1-CG 4.42Å
157P34.3Very low33Very low113 Ų113134.6 Ų134.673%0.73472%0.72SS**  -118.1133.3113.133.8-33.1000111N155N155-P157 WeakPolarHBondContact O-CD 2.99Å
158L40.3Very low32.7Very low122 Ų122135.5 Ų135.564%0.63973%0.732SS**  trans-64.6176.5146.6-87166.4000108.7F156F156-L158 HydrophobicContact CD1-CG 4.24Å; F156-L158 HydrophobicContact CE1-CG 4.42Å
159F28.9Very low32.8Very low195 Ų195135 Ų13586%0.85574%0.74SS**  trans71157-174.9-30.1-66.6000112.1
160A26.2Very low32.4Very low75 Ų75135.7 Ų135.762%0.6274%0.74SS**  cis-148.1168.112.200000112.5
161K31.7Very low32.7Very low186 Ų186141.3 Ų141.381%0.80974%0.744SS**  trans76.1121.6166.3-59.1155.1-173.7-179.90112.8
162S27.2Very low32.3Very low84 Ų84142.9 Ų142.959%0.58774%0.743SS**  cis65.4139.649.286.60000112
163D27.6Very low32.3Very low149 Ų149141.4 Ų141.480%0.79774%0.739SS**  trans69.2137.3174.7-40.8-61.8000112.6
164S30.2Very low32.5Very low96 Ų96138.8 Ų138.867%0.67173%0.734SS**  cis-155.51649.151.30000111.7
165T31Very low32.7Very low110 Ų110141.5 Ų141.568%0.67574%0.737SS**  trans30.8134.8143.256.20000121.6
166M35.8Very low33.2Very low181 Ų181141.6 Ų141.689%0.89273%0.733SS**  trans69.7159.7144.7-68.4172.372.100117.1
167A33.7Very low33.4Very low65 Ų65140.8 Ų140.854%0.53773%0.729SS.*  cis-166.9170.7-30.900000108.3
168Q27.2Very low33.3Very low181 Ų181144.1 Ų144.185%0.84674%0.735SS**  trans7.9131.8137.7-56.4157.5-0.300116.4
169A33.4Very low33.1Very low80 Ų80144.1 Ų144.166%0.66174%0.742SS**  cis-110.3155.824.500000113.1Y171A169-Y171 HydrophobicContact CB-CD2 4.01Å; A169-Y171 HydrophobicContact CB-CE2 4.28Å
170K28Very low33.8Very low182 Ų182142 Ų14279%0.79174%0.735SS**  cis71.843.317.1-137.6-165.3-173.8-157.70116.5
171Y36.1Very low34.4Very low206 Ų206144.8 Ų144.881%0.80874%0.739SS**  trans-122.3123.2140.3-72.4-78.6000105.6A169A169-Y171 HydrophobicContact CB-CD2 4.01Å; A169-Y171 HydrophobicContact CB-CE2 4.28Å
172E28.9Very low34.8Very low161 Ų161142 Ų14275%0.75273%0.729SS**  cis66100.936.1-161.2176.9-101.200112.5
173V37.5Very low35.4Very low114 Ų114146.8 Ų146.869%0.69173%0.734SS**  trans169.7113136.1151.90000108.8
174K40.3Very low35.8Very low179 Ų179146 Ų14678%0.77873%0.73SS**  trans58.3146.6158.7-60.7167.5-165.4175.70117.4
175E41.6Very low35.9Very low160 Ų160148 Ų14875%0.74874%0.738SS**  cis-135.9133.72.1-114.5137.9-142.900105.6
176E40.1Very low36.1Very low147 Ų147147 Ų14769%0.68774%0.741SS**  48.7110.671.4-127.5-158.2129.500114.3
177K42.2Very low36.1Very low170 Ų170146.1 Ų146.174%0.73974%0.735SS**  trans66.766.7165.2-53177.4177105.70118.9
178Q31.3Very low36.1Very low183 Ų183153.9 Ų153.986%0.85575%0.75SS**  trans-145.9107.8140-79.9-157.6-8.200112.6
179P37.1Very low36.5Very low122 Ų122150.6 Ų150.679%0.79275%0.747SS**SBendtrans-127.718.3146.439.3-28.8000112
180E42.5Very low36.5Very low150 Ų150151.1 Ų151.170%0.70174%0.742SS**  trans-160162-17086.3-176.7-0.200108.5
181L39Very low37.1Very low135 Ų135148 Ų14871%0.70774%0.741SS**  cis-161.8152.9-17.2-153.566.4000108.4
182E40.6Very low37.1Very low128 Ų128146.9 Ų146.960%0.59874%0.74SS**  trans68.1153.9165.4-45.4-156.6129.700119.2
183R39.3Very low37.1Very low183 Ų183145.9 Ų145.969%0.69174%0.744SS**  trans38.6142.8132.3-65.8177.2-167.5120.418.6120.7
184D36.1Very low37.2Very low132 Ų132150.2 Ų150.271%0.70675%0.748SS**  cis-159131-0.9-101.8-33.8000109.8
185V32.4Very low36.9Very low139 Ų139147.6 Ų147.684%0.84274%0.742SS**SBendtrans-140.5102.4154-173.30000110.1Q187V185-Q187 PolarHBondContact O-N 3.15Å; V185-Q187 VanDerWaalsContact O-N 3.12Å
186A34.6Very low36.6Very low89 Ų89147 Ų14774%0.73674%0.744SS**  trans53.434.4155.500000119.5R188A186-R188 PolarHBondContact O-N 3.47Å
187Q35.7Very low36.4Very low163 Ų163144.4 Ų144.476%0.76274%0.742SS**  trans-70.179.8157.6-83.9-158.6-6.900111.1V185V185-Q187 PolarHBondContact O-N 3.15Å; V185-Q187 VanDerWaalsContact O-N 3.12Å
188R34.2Very low36Very low227 Ų227147 Ų14786%0.85775%0.747SS**  trans-59.1144.3155.7-73.1-180169.5179.8-3.5108.9A186A186-R188 PolarHBondContact O-N 3.47Å
189S35Very low36.1Very low113 Ų113146 Ų14679%0.7974%0.742SS**  trans49.771.6166.854.30000116.7P191S189-P191 WeakPolarHBondContact O-CD 3.35Å
190T34.8Very low36.4Very low90 Ų90144.9 Ų144.955%0.55274%0.735SS**  trans-88.9103.1150.248.60000109.8K192T190-K192 PolarHBondContact O-N 3.32Å; T190-K192 VanDerWaalsContact O-N 3.1Å
191P39.3Very low36Very low118 Ų118149 Ų14977%0.76674%0.744SS**  trans-69.7107.5171.128-32.8000109.4S189 V193S189-P191 WeakPolarHBondContact O-CD 3.35Å; P191-V193 PolarHBondContact O-N 3.02Å
192K36.3Very low35.8Very low182 Ų182149.8 Ų149.879%0.79175%0.748SS**  trans-70.398.7174.6-77177.9179.7168.50110.7T190T190-K192 PolarHBondContact O-N 3.32Å; T190-K192 VanDerWaalsContact O-N 3.1Å
193V30.3Very low35.7Very low139 Ų139149.4 Ų149.484%0.84276%0.757SS**  trans-89.397.9151.2-176.90000107.6P191P191-V193 PolarHBondContact O-N 3.02Å
194R37.7Very low35.6Very low205 Ų205146.3 Ų146.377%0.77476%0.758SS**  trans-120.8119.4167.7-87.4-163.9172.1177.7-1.8107.4
195I35Very low35.6Very low125 Ų125144.4 Ų144.464%0.64175%0.753SS**  66.7105.386.2-69.5176.1000110.7
196N35.2Very low35.9Very low147 Ų147144.5 Ų144.579%0.78675%0.747SS**  trans58.9167.1141.3-58.95.9000117.9
197S36.2Very low35.8Very low93 Ų93151.5 Ų151.565%0.6575%0.754SS**  cis-163.7150.5-31.548.20000107.6
198W33.3Very low35.7Very low225 Ų225149.7 Ų149.785%0.85275%0.75SS**  trans25.797.4147.8-7672.4000119.2
199Q34.7Very low35.8Very low161 Ų161144.6 Ų144.675%0.75274%0.736SS**  trans62.8-176140.9-62.1-168.4-14.400116.6
200P42.4Very low35.7Very low98 Ų98147.2 Ų147.264%0.63673%0.733SS**  -129.1152.5-66.235.8-23.8000113.3
201R33.8Very low35.8Very low238 Ų238149 Ų14990%0.89874%0.739SS**  174.2138.7126.5-93.2151.3-166.7-149.12.7111
202L34.8Very low35.7Very low151 Ų151150.1 Ų150.179%0.79174%0.735SS**  trans-67.3156.2162-68.8162.8000109.3V204L202-V204 HydrophobicContact CD1-CG2 4.31Å; L202-V204 HydrophobicContact CD2-CG2 4.23Å
203P39.4Very low35.8Very low120 Ų120151.3 Ų151.378%0.77974%0.735SS**  -123.5117.6109.533.4-30.5000112.7
204V37.1Very low36Very low118 Ų118148.9 Ų148.972%0.71572%0.724SS**  trans-76.1137.2152.3178.20000107.4L202L202-V204 HydrophobicContact CD1-CG2 4.31Å; L202-V204 HydrophobicContact CD2-CG2 4.23Å
205P35Very low36Very low92 Ų92145.8 Ų145.860%0.59772%0.723SS**  trans-136.7149144.136.9-24.9000113.6
206I39.7Very low36.1Very low140 Ų140144.9 Ų144.972%0.71872%0.723SS**  trans60.9101.6154.5-56.2156.2000114.4N208I206-N208 HydrophobicContact CG2-CB 4.31Å
207R31Very low36.1Very low236 Ų236144.1 Ų144.189%0.89172%0.724SS**  cis57.276.827.5-166.1-160.7-174.7175.35.6114.1
208N34.3Very low36.1Very low125 Ų125146.3 Ų146.367%0.66873%0.733SS**  trans-177.3153.3157.5-90.8-23.8000107.6I206I206-N208 HydrophobicContact CG2-CB 4.31Å
209Q36.4Very low36.1Very low120 Ų120144.4 Ų144.456%0.56173%0.731SS**  cis-162.2142.5-0.6-124.5172.375.700110
210K33.3Very low36.3Very low169 Ų169142.7 Ų142.774%0.73573%0.733SS**  trans63.7174.5151.5-63.6163177.1166.20115.8
211L37.8Very low35.8Very low128 Ų128147.4 Ų147.467%0.6775%0.747SS**  cis-149146.9-5.4-154.570.2000109.7
212M36.5Very low35.8Very low140 Ų140144.2 Ų144.269%0.6974%0.742SS**  trans64.6145163.4-56-131.8-168.400117
213R37Very low36.2Very low207 Ų207141.3 Ų141.378%0.78173%0.732SS**  cis-146.3139.61.9-115.9156.5-167.2-171.22.3109.6
214S35.5Very low35.7Very low88 Ų88144.5 Ų144.562%0.61573%0.734SS**  trans15.1145.3131.962.90000119.8
215N37.2Very low35.4Very low140 Ų140146.1 Ų146.175%0.74973%0.734SS**  cis-167.2157.618.2-130.510.6000114.7
216T38.5Very low35.5Very low106 Ų106149.2 Ų149.265%0.6575%0.745SS**  trans42.6119.2144.7520000121.4
217V35Very low35.5Very low131 Ų131149.3 Ų149.379%0.79474%0.742SS**  68.8123.389.9171.30000112.4
218V35.6Very low35.6Very low139 Ų139143.8 Ų143.884%0.84273%0.727SS**  -132.9163.766.1178.30000114.1
219K33.7Very low35.7Very low186 Ų186147.8 Ų147.881%0.80973%0.733SS**  trans-83.1162.4-179.5-65.5177.4180177.50114
220P37.4Very low35.5Very low125 Ų125149.7 Ų149.781%0.81275%0.745SS**  trans-74.6159.9161.134.2-36.7000112.1
221Q33.5Very low35.4Very low196 Ų196145.5 Ų145.592%0.91674%0.742SS**  trans-147.4155.5167.4-164.5158.7-700112.6
222Q33.2Very low35.3Very low172 Ų172146.8 Ų146.880%0.80475%0.749SS**  trans-140.8175.4-174.3-144.9-167.6-12.600107.1
223P42.4Very low35.4Very low89 Ų89147.9 Ų147.958%0.57875%0.746SS**  -123.2178.2-82.741.8-30.4000115
224F29.2Very low35.2Very low188 Ų188140.1 Ų140.183%0.82572%0.723SS**  trans72.7148.7156.4-78.4-67.9000121.6
225H32.3Very low35.3Very low152 Ų152136.9 Ų136.970%0.70470%0.704SS**  trans75.387.3162.3-72.4-58.7000121.5
226D35.6Very low35.2Very low157 Ų157133.7 Ų133.784%0.8469%0.693SS**  -101.2145.5116.8-72.6-54.5000106.6
227Q39.3Very low35.2Very low141 Ų141131.8 Ų131.866%0.65968%0.684SS**  cis70.713727-52.9-151.530.500113
228Q34.3Very low35.3Very low121 Ų121134.4 Ų134.457%0.56569%0.687SS**  cis-158.9162.89.6-137.5175.972.900109.5
229R35.5Very low35.3Very low209 Ų209132.1 Ų132.179%0.78968%0.678SS**  trans68.1167.3160.9-59.1167.2-162.3-125.5-3.5117.9
230I32Very low35.5Very low159 Ų159133.3 Ų133.382%0.81568%0.683SS**  -173.2157.6-56.7-102.4160.7000108.2
231A32.9Very low35.4Very low81 Ų81130.9 Ų130.967%0.66968%0.681SS**  trans80.8110.4163.900000122.7
232L35.4Very low35.4Very low156 Ų156127.2 Ų127.282%0.81768%0.677SS**  37.8139.9117.8-55.7170.7000123.1
233Y38.5Very low35.2Very low163 Ų163125.5 Ų125.564%0.63968%0.678SS**  -170.6-153.8102.9-129.1-94.4000116.1P617 S618Y233-P617 CarbonylContact O-C 3.33Å; Y233-P617 WeakPolarHBondContact O-CA 3Å; Y233-P617 VanDerWaalsContact O-CB 3.3Å; Y233-P617 WeakPolarHBondContact O-CB 3.16Å; Y233-S618 PolarHBondContact O-N 2.67Å
234S32.3Very low34.7Very low43 Ų43126.2 Ų126.230%0.30168%0.684SS.*  trans-144.9134.6-172.4-65.20000114.3P617 S618 Q619 A948S234-P617 CarbonylContact C-O 3.52Å; S234-P617 VanDerWaalsContact C-O 3.3Å; S234-P617 WeakPolarHBondContact CA-O 3.31Å; S234-S618 CarbonylContact C-O 3.15Å; S234-S618 VanDerWaalsContact C-O 3.3Å; S234-S618 CarbonylContact O-C 3.28Å; S234-S618 VanDerWaalsContact O-C 3.23Å; S234-Q619 VanDerWaalsContact C-N 3.31Å; S234-Q619 CarbonylContact C-O 3.56Å; S234-Q619 CarbonylContact O-C 3.52Å; S234-Q619 WeakPolarHBondContact O-CA 3.22Å; S234-Q619 PolarHBondContact O-N 3.03Å; S234-A948 WeakPolarHBondContact O-CB 3.32Å
235G36.7Very low34.9Very low20 Ų20125.5 Ų125.521%0.20668%0.684CS.*  trans167.5122.1-179.900000119.2P617 S618 Q619 S946 G947 A948G235-P617 PolarHBondContact N-O 3.39Å; G235-S618 CarbonylContact C-O 3.23Å; G235-S618 WeakPolarHBondContact CA-O 3.47Å; G235-S618 PolarHBondContact N-O 2.99Å; G235-S618 VanDerWaalsContact O-O 3.13Å; G235-Q619 WeakPolarHBondContact CA-O 3.39Å; G235-S946 CarbonylContact O-C 3.16Å; G235-S946 WeakPolarHBondContact O-CA 3.38Å; G235-S946 WeakPolarHBondContact O-CB 3.35Å; G235-G947 VanDerWaalsContact C-C 3.44Å; G235-G947 CarbonylContact C-O 3.3Å; G235-G947 VanDerWaalsContact CA-O 3.23Å; G235-G947 WeakPolarHBondContact CA-O 3.5Å; G235-G947 PolarHBondContact O-N 3.27Å; G235-A948 VanDerWaalsContact N-CB 3.32Å; G235-A948 VanDerWaalsContact N-N 3.14Å
236S35.4Very low34.8Very low74 Ų74123.8 Ų123.852%0.51768%0.684SS.*  trans-120.5175.9-154.561.90000121.8S946 G947S236-S946 VanDerWaalsContact CA-C 3.42Å; S236-S946 VanDerWaalsContact CA-O 3.25Å; S236-S946 WeakPolarHBondContact CA-O 3.2Å; S236-S946 WeakPolarHBondContact CB-O 3.13Å; S236-G947 WeakPolarHBondContact CA-O 3.48Å; S236-G947 WeakPolarHBondContact CB-O 3.03Å; S236-G947 PolarHBondContact N-O 2.91Å; S236-G947 PolarHBondContact OG-O 3.34Å
237S38.1Very low34.8Very low65 Ų65127.9 Ų127.946%0.45569%0.688SS.*  trans-73.8135.7179.656.50000117.3R615S237-R615 PolarHBondContact OG-NH1 3.23Å; S237-R615 VanDerWaalsContact OG-NH1 3.09Å
238Q38.5Very low34.4Very low186 Ų186126.3 Ų126.387%0.86969%0.692SS**  trans-153.9163.8161-84.3-158.16.300108.7
239S36.2Very low34.4Very low92 Ų92125 Ų12564%0.64370%0.702SS**  cis-167.2160.6-23.5590000110.2
240K36.3Very low34.4Very low211 Ų211122.9 Ų122.992%0.91770%0.699SS**  trans160.8123.6159.1-93.1164.7-175.4-178.40105.2
241G35.1Very low34.6Very low74 Ų74122.5 Ų122.576%0.76370%0.698SS**  cis115.7136.42300000107.9
242S35.2Very low34.6Very low119 Ų119124.2 Ų124.283%0.83269%0.694SS**  cis-164168.3-0.645.30000109.7
243V27.7Very low34.7Very low136 Ų136123.5 Ų123.582%0.82470%0.696SS**  trans-150.2147.7-175.2-99.50000109.1
244S31.5Very low34.5Very low103 Ų103120.9 Ų120.972%0.7269%0.693SS**  cis-145.6-169.90.6-73.30000108.2
245Q33.2Very low34.7Very low174 Ų174126 Ų12681%0.81372%0.715SS**  trans179.1124.9130.4-99.3-177.70.900116.8
246T30.7Very low34.4Very low115 Ų115129.4 Ų129.471%0.70674%0.742SS**  trans66.2152.5138.967.70000123.7
247R36.2Very low34.3Very low244 Ų244130.4 Ų130.492%0.92175%0.754SS**  trans69.5156.8169.3-56.6179178.2-172.3-1.4115.9
248S31.2Very low34Very low107 Ų107135 Ų13575%0.74877%0.774SS**  cis178.7135.8-34.7-178.40000106.5
249A33.8Very low33.7Very low95 Ų95132.2 Ų132.279%0.78577%0.774SS**  trans61173166.800000117
250K36.6Very low33.6Very low163 Ų163133.8 Ų133.871%0.70978%0.782SS**  cis-174.2134.1-42-177.9174.2-176.5179.90107.6
251N36.3Very low33.4Very low151 Ų151128.4 Ų128.481%0.80777%0.771SS**  trans156.1121.9158.3-83.8-6000107.9
252M31.3Very low33.4Very low118 Ų118133.3 Ų133.358%0.58177%0.772SS**  cis81.790.310.2-145.7-170.990.600116D254M252-D254 HydrophobicContact CG-CB 4.44Å
253V38Very low33.3Very low140 Ų140136.2 Ų136.285%0.84877%0.77SS**  trans-148.3108.4149.2-178.70000104.2
254D34.9Very low33.5Very low108 Ų108135 Ų13558%0.57876%0.763SS**  cis91.4149.417.3-149.55000115.3M252M252-D254 HydrophobicContact CG-CB 4.44Å
255I36.2Very low33.9Very low151 Ų151135.4 Ų135.477%0.77477%0.766SS**  trans70.8116.7-178.5-48164.3000114.4
256A29.6Very low34.2Very low92 Ų92135.5 Ų135.576%0.7677%0.766SS**  cis89.899.55.900000119.4
257A34.3Very low34.5Very low95 Ų95139.8 Ų139.879%0.78577%0.77SS**  trans-167.5125.4150.700000108.5
258N31Very low34.5Very low162 Ų162135 Ų13587%0.86676%0.758SS**  76.89156.7-77-11.1000115
259S32.1Very low34.9Very low126 Ų126137 Ų13788%0.88176%0.755SS**  trans-164.7122.7153.9-78.10000110.2
260P35.5Very low35.2Very low125 Ų125142.2 Ų142.281%0.81276%0.76SS**  trans-116.7175.8-172.941-33.8000116.1
261S30.1Very low35.2Very low98 Ų98141.5 Ų141.569%0.68576%0.764SS**  trans102.214815977.70000119.9
262F35.3Very low34.9Very low178 Ų178142.5 Ų142.578%0.78177%0.766SS**  trans76.3117.8172.5-69.6-76.6000120.7
263F34.4Very low35Very low180 Ų180140.1 Ų140.179%0.78977%0.772SS**  trans57134.7160.6-74.1-98.4000118.9
264T32.3Very low34.7Very low110 Ų110140.9 Ų140.968%0.67577%0.77SS**  cis-162.8163.3-14.62.80000109.4
265S38.6Very low34.6Very low111 Ų111145.3 Ų145.378%0.77678%0.78SS**  trans64.9126.7172.768.20000117.3
266E39.3Very low34.6Very low177 Ų177145.3 Ų145.383%0.82778%0.781SS**  cis-150.8119.9-18.8-155.3160.6-15200111.3
267R37.1Very low34.7Very low205 Ų205144.2 Ų144.277%0.77478%0.779SS**  trans28.7131.4158.6-69.1-172.8158.3147.2-4.9120.8
268E37.2Very low34.6Very low143 Ų143146.3 Ų146.367%0.66878%0.781SS**  59.5147.756.3-58.2179.213200113.3
269Q38.5Very low34.8Very low148 Ų148150.2 Ų150.269%0.69278%0.784SS**  cis-155.6166.2-12.6-117.5161.8-6.600107
270K40.4Very low34.5Very low205 Ų205148.2 Ų148.289%0.89178%0.776SS**  trans-93.6132.8154-71.9178.7179.7174.30107.2
271D36.9Very low34.8Very low149 Ų149147.8 Ų147.880%0.79777%0.772SS**  trans-149.8165.6164-138.4-24.9000113.6
272M30.6Very low34.8Very low171 Ų171149.2 Ų149.284%0.84278%0.777SS**  trans-93.4131.3-179.7-83.1-99-70.300111.9
273G32.5Very low34.5Very low69 Ų69149.6 Ų149.671%0.71178%0.778SS**  trans65.711914600000119.1
274I32.5Very low34.2Very low155 Ų155147.4 Ų147.480%0.79578%0.78SS**  -165.5143.4125.8-101.8155.5000109.7
275Y33.1Very low34Very low202 Ų202147.8 Ų147.879%0.79278%0.782SS**  trans64.7107.5174.8-70.8-54.5000122.5
276N35.7Very low33.5Very low151 Ų151147.6 Ų147.681%0.80778%0.78SS**  87.6129.9129.6-64.8-20.9000123.5
277G32.6Very low32.9Very low69 Ų69144.8 Ų144.871%0.71178%0.775SS**  trans78.7101.2151.900000116
278V30.8Very low32.7Very low138 Ų138141.6 Ų141.684%0.83677%0.773SS**  cis62.158.937.3-161.20000114.3
279R34.6Very low32.6Very low244 Ų244141.8 Ų141.892%0.92177%0.773SS**  179158.1122.5-99.3169.5-179.2-179.30.7112.4
280A27.1Very low32.8Very low85 Ų85141.4 Ų141.470%0.70277%0.772SS**  trans-98.2-179.9161.600000109
281P41.6Very low32.5Very low115 Ų115142.3 Ų142.375%0.74777%0.769SS**  cis-126-143.6-29.830.7-9.9000109.5
282V29.1Very low32Very low129 Ų129141.4 Ų141.478%0.78277%0.769SS**  trans88.7142.9161.7-1700000117.4
283K29.7Very low31.9Very low186 Ų186137.7 Ų137.781%0.80977%0.766SS**  trans-64145.3176.3-37.6149.5-179.2173.60111.5
284T28.8Very low31.7Very low133 Ų133140.4 Ų140.482%0.81677%0.771SS**  trans-172.7146.4136.220.90000112.5
285V28Very low31.6Very low119 Ų119140.7 Ų140.772%0.72177%0.774SS**  trans52.2110.5142.9179.40000117.3
286S27.4Very low31.4Very low106 Ų106135.6 Ų135.674%0.74177%0.769SS**  83157.553.9-58.40000114.8
287V28Very low31.1Very low119 Ų119138.1 Ų138.172%0.72177%0.773SS**  trans77101.2168.51800000113.6
288L32.7Very low30.8Very low138 Ų138140.9 Ų140.972%0.72378%0.775SS**  69.1147.999-68.4150.5000113
289Q35Very low30.7Very low146 Ų146143 Ų14368%0.68277%0.773SS**  cis-149.6173.515.7-139.2153.5-71.900107
290E42Very low30.4Very low140 Ų140140.6 Ų140.665%0.65477%0.77SS**  cis-163.8163.523.8-167.8161-100.800111.9
291R33.9Very low30.7Very low224 Ų224143.2 Ų143.285%0.84578%0.777SS**SBendtrans75.4101174.8-52.1-170.8-179.6-166.3-1.9117
292T26.5Very low30Very low130 Ų130142 Ų14280%0.79878%0.776SS**SBendcis-144.3113.9-6.542.80000110.9
293A28.3Very low30.4Very low94 Ų94140.6 Ų140.678%0.77777%0.77SS**  trans40.488.7155.400000120
294P29.3Very low30.5Very low126 Ų126140 Ų14082%0.81877%0.768SS**  -80.9143117.535.1-27.6000109.7
295D30.1Very low30.6Very low160 Ų160141.7 Ų141.786%0.85677%0.766SS**  trans-138.1140.6168.3-146.1-16.4000111
296S27.7Very low30.9Very low96 Ų96144.3 Ų144.367%0.67177%0.771SS**  trans-147.2126.5-168.371.40000112
297F29.3Very low31.2Very low204 Ų204144.7 Ų144.790%0.89577%0.768SS**  trans53.2107175-72.1-92.9000116.2
298V27.1Very low31.5Very low126 Ų126145.5 Ų145.576%0.76477%0.768SS**  -177.8127.4113.4143.40000112.3
299K27.8Very low31.6Very low182 Ų182146.8 Ų146.879%0.79177%0.771SS**  trans42121.6154.8-61.5172.5-176172.20120
300K29.8Very low31.5Very low195 Ų195145.7 Ų145.785%0.84878%0.775SS**  trans95.6155.3159.4-56.3171.4179.7-179.40116.1
301T33.1Very low30.8Very low139 Ų139144.8 Ų144.885%0.85378%0.784SS**  trans57.3110.6162.542.80000119.9
302A25.7Very low30.6Very low89 Ų89137.7 Ų137.774%0.73678%0.78SS**  trans-71.2175.5135.300000109.2
303P38.3Very low31.1Very low100 Ų100137 Ų13765%0.64978%0.778SS**  cis-143.8-148.321.141.9-18.2000115.2
304F32.7Very low31.4Very low174 Ų174139.1 Ų139.176%0.76378%0.775SS**  trans72.9124.9-177.1-54.2-74.3000114.8
305Q30.2Very low31.8Very low168 Ų168141.1 Ų141.179%0.78577%0.774SS**  cis77.6101.938.9-66-174.1-56.800115.3
306Q35.1Very low31.8Very low175 Ų175141.2 Ų141.282%0.81877%0.766SS**  -173124.8109.8-99.7-177.4-54.300108.3
307V33.5Very low31.8Very low114 Ų114147.9 Ų147.969%0.69178%0.777SS**  78.1128.389.2166.30000110.6
308D33.2Very low32.4Very low135 Ų135143.6 Ų143.672%0.72277%0.769SS**  cis-143.4179.330.8-135.6-29.6000117.2
309E35.6Very low32.5Very low165 Ų165141.4 Ų141.477%0.77177%0.772SS**  trans68.464155.6-67.6-177.8171.700120.6
310T31.5Very low32.4Very low124 Ų124137.2 Ų137.276%0.76177%0.772SS**  62.3117.5124.7520000123.1
311S27.4Very low32.4Very low121 Ų121137.1 Ų137.185%0.84677%0.771SS**  trans63.870.8149.649.20000119.3
312G30.3Very low32.1Very low74 Ų74137.8 Ų137.876%0.76377%0.77SS**  trans-87.3174161.200000115.1
313P37.6Very low32.4Very low116 Ų116139.4 Ų139.475%0.75377%0.77SS**  trans-131.4-161.6-157.841.7-23.5000115
314L33.9Very low32Very low138 Ų138145.5 Ų145.572%0.72378%0.78SS**  trans68.9167.8163-95.358.7000115.8
315E37.9Very low31.9Very low169 Ų169141.3 Ų141.379%0.7977%0.773SS**  cis-148.2174.59.1-148.9167.2-150.900113
316K29.2Very low32Very low162 Ų162141.4 Ų141.470%0.70477%0.766SS**  trans-92160.5167.7-64.8165.6-175.1154.80110.9
317W29Very low32Very low236 Ų236138.9 Ų138.989%0.89475%0.754SS**  167.7157.9117.5-93.489.4000110.4
318P41.4Very low31.9Very low113 Ų113139.9 Ų139.973%0.73475%0.75SS**  trans-113.3159.7-15738.9-27.5000115.8
319G28.9Very low32Very low80 Ų80139.8 Ų139.883%0.82575%0.749SS**  trans-154.9148.7169.700000111.4
320A26.4Very low31.9Very low95 Ų95140.6 Ų140.679%0.78575%0.752SS**  trans-90.7161.8-173.100000114
321K29.6Very low32Very low192 Ų192141.8 Ų141.884%0.83575%0.749SS**  trans76.6108.1178.7-59.3175.3-179.3176.10112.8
322N27.2Very low32.4Very low153 Ų153142.7 Ų142.782%0.81874%0.74SS**  72.6126.787.4-82.3-6000113.4
323V31.1Very low32.6Very low123 Ų123142.8 Ų142.875%0.74573%0.729SS**  trans69.2130.8169.9-178.10000113.7
324W30.3Very low32.1Very low228 Ų228143.9 Ų143.986%0.86473%0.733SS**  cis-163.3162.7-18-111.4-5.5000108.7
325S31.5Very low32Very low87 Ų87147.2 Ų147.261%0.60874%0.742SS**  trans48.9121145.367.10000122.7
326R32Very low31.9Very low169 Ų169144.2 Ų144.264%0.63875%0.746SS**  74.1146129.7-64173.1168.9-136.714.9117.4N338 G339R326-N338 PolarHBondContact NH2-O 3.37Å; R326-N338 VanDerWaalsContact NH2-O 3.12Å; R326-G339 PolarHBondContact NH2-O 2.71Å
327Q35Very low32.2Very low123 Ų123147.3 Ų147.358%0.57575%0.754SS**  cis-161.4151-4.3-114.4169.4-84.400110
328F30.5Very low32.4Very low135 Ų135142.3 Ų142.359%0.59274%0.744SS**  trans39.7150.2151.5-63.4-65.9000121.4
329L35.2Very low31.9Very low133 Ų133139 Ų13970%0.69673%0.731SS**  cis-158.7104.628.4-149.5163.7000112.6
330Q33.2Very low32Very low181 Ų181142.6 Ų142.685%0.84673%0.729SS**SBendtrans168.9135151.6-102-174.7-10.900108.3
331Q34.4Very low32.1Very low149 Ų149143.2 Ų143.270%0.69673%0.728SS**SBendcis-155123.8-34.3-145.4168.2-2.600106.8
332E36.3Very low32.1Very low141 Ų141139.3 Ų139.366%0.65973%0.725SS**  cis-142.1156.7-4.3-126.3156.9-128.400111
333S33.4Very low32.4Very low76 Ų76136.9 Ų136.953%0.53172%0.72SS.*  trans-58.8135.6-168.3500000114.4
334V29Very low32.4Very low139 Ų139139 Ų13984%0.84273%0.726SS**  cis67.5127.545.5-173.70000114.5
335K29.8Very low32.7Very low207 Ų207133.3 Ų133.390%0.972%0.719SS**  trans-71.3129.8-178.8-58.1165.2-178.3166.40112.7
336A37.3Very low32.7Very low107 Ų107132.9 Ų132.988%0.88472%0.72SS**  trans-169.4154.1139.600000112.8
337R34.8Very low32.9Very low227 Ų227132.6 Ų132.686%0.85773%0.726SS**  trans-97.8149.7-168.5-107.3-176.8168.3163.6-5.1115
338N32.7Very low32.9Very low130 Ų130133 Ų13370%0.69573%0.728SS**  trans77.6151.4143.7-64.47.8000121.1R326R326-N338 PolarHBondContact NH2-O 3.37Å; R326-N338 VanDerWaalsContact NH2-O 3.12Å
339G32.2Very low33.1Very low44 Ų44133.3 Ų133.345%0.45473%0.731SS.*  trans87.8113.1171.800000114.4R326R326-G339 PolarHBondContact NH2-O 2.71Å
340I29.7Very low33.1Very low155 Ų155133.8 Ų133.880%0.79573%0.73SS**  cis-176142-33.3-101.4162.5000103.5
341S28.5Very low33.3Very low108 Ų108133.8 Ų133.876%0.75573%0.73SS**  trans41.3106.2168.165.60000120.8
342S29.9Very low33.3Very low111 Ų111131.6 Ų131.678%0.77673%0.731SS**  -168.5136.4118.856.90000110.9
343S34Very low33.4Very low101 Ų101127.4 Ų127.471%0.70672%0.72SS**  trans21.8122.4157.255.80000119.9
344L31.8Very low33.5Very low167 Ų167128.1 Ų128.187%0.87471%0.711SS**  52.6147.564.6-73.9156.7000114.2
345P36.8Very low33.9Very low110 Ų110125.6 Ų125.671%0.71469%0.693SS**  cis-131.1-168.82.741.7-24.9000114.5
346A31.5Very low34.4Very low77 Ų77122.4 Ų122.464%0.63669%0.685SS**  trans65.7143158.100000118.1
347H36Very low34.3Very low164 Ų164123.5 Ų123.576%0.75968%0.68SS**  cis-154.6165.6-6.3-86.9-65.6000106.9
348Q34.1Very low34.5Very low132 Ų132117.8 Ų117.862%0.61767%0.673SS**  cis-174.9134.3-26.2173.3167.6-37.100109.5
349E34.4Very low34.5Very low141 Ų141114.5 Ų114.566%0.65967%0.669SS**  trans64.2147.7165.1-68.4177.211200118.7
350Q36.4Very low34.5Very low143 Ų143114.5 Ų114.567%0.66867%0.669SS**  cis-155.5129.8-0.8-116.9170.238.600112.7
351Q36.5Very low34.8Very low180 Ų180111 Ų11184%0.84166%0.655SS**  trans57.4136146.7-55.7-176.69.500126.6
352S34.5Very low35.1Very low103 Ų103114.6 Ų114.672%0.7266%0.657SS**  trans90.1163.7148.5-147.90000121.6
353A37.4Very low35.3Very low53 Ų53115 Ų11544%0.43865%0.651SS.*  -167.3175.5-61.400000114.9N103 I104N103-A353 CarbonylContact C-O 3.3Å; N103-A353 VanDerWaalsContact C-O 3.28Å; I104-A353 PolarHBondContact N-O 3.09Å
354R36.7Very low35.3Very low92 Ų92118 Ų11835%0.34766%0.657SS.*  trans66.9130.7156.5-54.9177.2-76.1-166.9-178.8125.9E101 M102 N103E101-R354 WeakPolarHBondContact O-CD 3.2Å; E101-R354 VanDerWaalsContact O-CZ 3.26Å; E101-R354 PolarHBondContact O-NE 3.12Å; E101-R354 PolarHBondContact O-NH2 2.78Å; M102-R354 VanDerWaalsContact C-NE 3.29Å; M102-R354 PolarHBondContact O-NE 2.79Å; M102-R354 PolarHBondContact O-NH1 3.44Å; M102-R354 PolarHBondContact O-NH2 3.29Å; N103-R354 WeakPolarHBondContact O-CB 3.28Å; N103-R354 PolarHBondContact O-NE 2.75Å; N103-R354 VanDerWaalsContact O-NE 3.09Å; N103-R354 PolarHBondContact O-NH1 2.83Å
355D37.8Very low35.5Very low85 Ų85113.3 Ų113.346%0.45565%0.65SS.*  trans100.9113.3143.4-61.4-31000127.7M102 N103M102-D355 WeakPolarHBondContact CA-OD2 3.46Å; M102-D355 PolarHBondContact N-OD2 2.68Å; N103-D355 PolarHBondContact N-OD2 3.23Å
356I39.4Very low35.3Very low141 Ų141117.3 Ų117.372%0.72366%0.656SS**  82.9101.6127.3-61.1171.2000125.7
357T34.7Very low35.3Very low130 Ų130122.3 Ų122.380%0.79867%0.665SS**  trans58.1174.4148.5520000122.8
358P39.5Very low35.2Very low107 Ų107123 Ų12370%0.69567%0.666SS**  cis-137.9164.73.441.8-22.4000121.6R885P358-R885 PolarHBondContact O-NH1 2.94Å
359G32.3Very low35.1Very low60 Ų60122.5 Ų122.562%0.61967%0.667SS**  82.396.7119.300000125.1R885G359-R885 VanDerWaalsContact C-CZ 3.48Å; G359-R885 VanDerWaalsContact C-NH2 3.33Å; G359-R885 PolarHBondContact O-NE 2.99Å; G359-R885 PolarHBondContact O-NH1 2.83Å; G359-R885 PolarHBondContact O-NH2 2.9Å; G359-R885 VanDerWaalsContact O-NH2 3.15Å
360G32.1Very low35.1Very low44 Ų44122.3 Ų122.345%0.45467%0.669SS.*  trans106.2157.5151.300000118.8R885G360-R885 VanDerWaalsContact O-CZ 3.25Å; G360-R885 PolarHBondContact O-NE 2.98Å; G360-R885 PolarHBondContact O-NH2 2.82Å
361T35.7Very low34.9Very low83 Ų83122.8 Ų122.851%0.50968%0.675SS.*  cis-154.1166.9-5.447.30000112.4S884T361-S884 WeakPolarHBondContact O-CB 3.4Å; T361-S884 WeakPolarHBondContact OG1-CB 3.22Å
362K34.7Very low34.4Very low182 Ų182123.5 Ų123.579%0.79168%0.675SS**  trans77.9127.6167.2-76.1-164.2171.5-167.30121.9
363D35.3Very low34.3Very low120 Ų120126.7 Ų126.764%0.64268%0.679SS**  trans72.895.9141.9-53.2-22000123
364I33Very low34.1Very low163 Ų163128.3 Ų128.384%0.83669%0.692SS**  53.787.7122.4-54159.3000116
365G37.5Very low34.2Very low70 Ų70128.5 Ų128.572%0.72271%0.713SS**  trans-152.988163.300000110.3
366K31.8Very low34Very low194 Ų194130.1 Ų130.184%0.84373%0.728SS**  trans-68.5157178.1-66.5-178.7-179.9178.80110.4
367H30.6Very low33.8Very low181 Ų181126 Ų12684%0.83871%0.712SS**  trans73.4137.8-160.7-43.1-71000112.1
368K35.4Very low33.9Very low178 Ų178127.1 Ų127.177%0.77471%0.708SS**  cis-141.5144.238.8-82.3-178.7166.8-172.80114.7
369I32.3Very low33.6Very low123 Ų123125.4 Ų125.463%0.63169%0.691SS**  49.9124.7127.5-43.8165.5000115.6
370L34.1Very low33.7Very low136 Ų136125.2 Ų125.271%0.71268%0.68SS**  -149.5125.368-70.6145.4000108.4
371I31.4Very low33.8Very low153 Ų153129 Ų12979%0.78569%0.689SS**SBend12.99756.5-56.6-174.8000114.3Q373I371-Q373 PolarHBondContact O-N 2.92Å
372K25.6Very low33.8Very low195 Ų195133.9 Ų133.985%0.84870%0.704SS**  trans0.3102.2150.2-61.9179.3178.7-177.70115.9
373Q33.3Very low33.8Very low171 Ų171132.7 Ų132.780%0.79971%0.705SS**  trans-168.9139.3130.4-104.7162.5500106.3I371I371-Q373 PolarHBondContact O-N 2.92Å
374A33.3Very low34.1Very low87 Ų87132.1 Ų132.172%0.71971%0.708SS**  cis174.7133.9-18.900000102.1
375A38.4Very low33.9Very low95 Ų95133.5 Ų133.579%0.78571%0.708SS**  trans-65.6157.2165.600000109.5
376P34.4Very low33.4Very low119 Ų119135.5 Ų135.577%0.77371%0.706SS**  -134.9175.98641.4-30.4000112.1
377S34.8Very low33.3Very low55 Ų55131.9 Ų131.939%0.38570%0.701SS.*  cis-136.4147.15.2500000108.3A92A92-S377 PolarHBondContact O-OG 3.03Å
378Q35.8Very low33.2Very low153 Ų153129.5 Ų129.572%0.71569%0.694SS**  46.9135.166.1-74.1-164.8-21.500110.8A92 E93 H94A92-Q378 CarbonylContact C-O 2.92Å; E93-Q378 CarbonylContact C-O 3.49Å; E93-Q378 WeakPolarHBondContact CA-O 3.24Å; E93-Q378 PolarHBondContact N-O 3.15Å; H94-Q378 PolarHBondContact N-O 2.66Å; H94-Q378 CarbonylContact O-C 3.2Å; H94-Q378 PolarHBondContact O-N 2.87Å
379Q34.7Very low33.3Very low71 Ų71130.6 Ų130.633%0.33270%0.695SS.*  cis-156.6171.340.7-49.2143.4-129.700114.6E93 H94E93-Q379 VanDerWaalsContact OE1-CD 3.22Å; E93-Q379 PolarHBondContact OE1-NE2 3.49Å; H94-Q379 WeakPolarHBondContact CA-O 3.41Å; H94-Q379 PolarHBondContact ND1-O 2.78Å
380S33.7Very low33.8Very low56 Ų56132.7 Ų132.739%0.39270%0.702SS.*  trans44.9151.9136.454.80000126E93 F95E93-S380 PolarHBondContact OE1-OG 2.99Å; F95-S380 WeakPolarHBondContact CE2-O 3.19Å
381L33.2Very low33.7Very low123 Ų123136.3 Ų136.364%0.64471%0.712SS**  trans90.188.7-177.5-56.9175.6000114.1F95F95-L381 WeakPolarHBondContact CE2-O 3.33Å; F95-L381 VanDerWaalsContact CZ-C 3.43Å; F95-L381 VanDerWaalsContact CZ-O 3.31Å; F95-L381 WeakPolarHBondContact CZ-O 3.5Å
382F35.9Very low33.6Very low187 Ų187132.3 Ų132.382%0.8271%0.708SS**  cis-137.6-179.640.2-90.7-92000116.3
383L35.4Very low34.3Very low157 Ų157128.8 Ų128.882%0.82271%0.706SS**  trans-83.6165.5-157.8-73.5157.2000116.2
384P42.1Very low34.4Very low107 Ų107126.8 Ų126.870%0.69571%0.705SS**  trans-89.5160.4172.637.5-36.3000113.6
385K29.1Very low34.3Very low193 Ų193131 Ų13184%0.83971%0.707SS**  trans-174.2124.5151.9-101.5150.6-173.2-178.30109.5
386T27Very low33.8Very low111 Ų111133.8 Ų133.868%0.68170%0.703SS**  59.4129.393.768.40000116
387T28.1Very low33.7Very low119 Ų119137 Ų13773%0.7371%0.705SS**  trans61.5143.5152.152.30000117
388D30.2Very low33.7Very low130 Ų130139.4 Ų139.470%0.69572%0.722SS**  cis-127.4175.615.3-72.4-75.8000110.2
389Y35.9Very low33.7Very low202 Ų202141.9 Ų141.979%0.79273%0.734SS**SBendcis-138.7165.627.1-97.3-102.8000114.5
390E42.9Very low33.4Very low167 Ų167141.7 Ų141.778%0.7875%0.75SS**  trans60.370.1153.4-76.9166.6-15000121.1G392E390-G392 PolarHBondContact O-N 3.1Å
391K33.6Very low33.6Very low211 Ų211147.8 Ų147.892%0.91778%0.775SS**  -5.7112.2129.5-58.4166.8-176.6165.10117.5
392G28.2Very low33.9Very low69 Ų69147.4 Ų147.471%0.71178%0.78SS**  92.9-166.112100000118.6E390E390-G392 PolarHBondContact O-N 3.1Å
393P40.8Very low33.8Very low122 Ų122145 Ų14579%0.79277%0.772SS**  -126.6-155.1-117.239.5-23.5000113.5
394V34.6Very low33.9Very low129 Ų129145 Ų14578%0.78277%0.765SS**  trans80103.2178.4-167.90000112
395K31.4Very low33.6Very low174 Ų174148.9 Ų148.976%0.75777%0.765SS**  62.788.181.6-84.4-167.8169.9-174.30116
396H28.8Very low33.9Very low154 Ų154147.2 Ų147.271%0.71376%0.761SS**  trans72.4152.6141.7-50.9-71.6000121.3
397F30.9Very low34.4Very low187 Ų187145.4 Ų145.482%0.8276%0.757SS**  trans76.279.2160-64.4-64.3000120
398S35.9Very low34.9Very low105 Ų105147.9 Ų147.973%0.73476%0.76SS**  51.789.2114.564.90000119.9
399E34.6Very low35.4Very low206 Ų206149.7 Ų149.796%0.96376%0.764SS**  trans-142.9156.6143.3-97.1177.6149.700105.9
400G29.4Very low35.3Very low66 Ų66147.7 Ų147.768%0.6876%0.762SS**  cis177.6142.5-4.400000106.9
401M37.7Very low35Very low185 Ų185147.5 Ų147.591%0.91176%0.762SS**  trans-67.5151-176.1-66.9-151.2-56.600112.1
402P38.9Very low35.1Very low115 Ų115145 Ų14575%0.74775%0.753SS**  -128.8165.7107.48.812000112.7
403E34.2Very low35.5Very low137 Ų137149.8 Ų149.864%0.6476%0.757SS**  cis152.9147.8-12.8-175.6-165.2-125.600105.6
404K37.1Very low35.1Very low156 Ų156148.4 Ų148.468%0.67876%0.756SS**  trans83.2136.6178.9-56145.4-178.6123.60115.2
405R36.5Very low35Very low188 Ų188149.8 Ų149.871%0.70976%0.759SS**  cis-155.8143.3-11.2-110.2-169.2167.5130.26.5107.9
406E34.3Very low35.1Very low159 Ų159148.9 Ų148.974%0.74376%0.762SS**  49.8124.891.8-58.7165.8-170.500112.6
407A38.6Very low35.2Very low73 Ų73146 Ų14660%0.60377%0.765SS**  cis-157.7162.6-0.600000110.5
408E37.4Very low35.1Very low170 Ų170141.3 Ų141.379%0.79476%0.76SS**  109.6140.2101.2-102.6153-163.800113.2
409E40.7Very low34.8Very low168 Ų168143.6 Ų143.679%0.78576%0.763SS**  trans58.7147.1159.5-65167-177.500119.8
410E35.6Very low34.6Very low160 Ų160140.4 Ų140.475%0.74875%0.751SS**  cis-158.4173.6-15.2-125.2179.5171.300111.9
411E35.5Very low34.7Very low164 Ų164144.3 Ų144.377%0.76676%0.756SS**  trans71.6145.4157.8-73.2-171.7155.400127
412E35.8Very low34.8Very low158 Ų158141.2 Ų141.274%0.73875%0.75SS**  trans60.9-170.6155.9-64.7-161.5153.900125.3
413E36Very low34.3Very low169 Ų169139.8 Ų139.879%0.7975%0.747SS**  -108167.8-128.5-60.1-161.8118.100119.7
414A34.3Very low34.2Very low93 Ų93142 Ų14277%0.76976%0.757SS**  trans78.1114.8144.200000123.6
415D31.8Very low33.8Very low159 Ų159140.3 Ų140.385%0.8577%0.765SS**  trans65.1153.7134.4-115.2-12000126.2
416L34Very low33.5Very low155 Ų155140.5 Ų140.581%0.81277%0.771SS**  trans67.8107.3159.4-81.3161.3000123.6
417A31Very low33.4Very low94 Ų94139.1 Ų139.178%0.77777%0.774SS**  trans84.9164.4135.900000122.3
418A28.7Very low33Very low87 Ų87140.7 Ų140.772%0.71979%0.787SS**  trans71.9135.6-178.100000117.9
419I29.3Very low32.8Very low154 Ų154136.2 Ų136.279%0.7979%0.786SS**  cis83119.933-63.5170.1000111
420L30.3Very low32.3Very low138 Ų138136.1 Ų136.172%0.72379%0.79SS**  cis-165.8162.74.7-110.1175.7000112.2
421L31.6Very low32.1Very low149 Ų149132.9 Ų132.978%0.7879%0.785SS**  trans66.3168.4151.1-69.2163.7000120.1
422P39Very low32Very low120 Ų120133.8 Ų133.878%0.77979%0.787SS**  cis-123.2-171.4-21.428.3-6.5000113.5
423A29.6Very low31.6Very low84 Ų84136.4 Ų136.469%0.69479%0.79SS**  trans-85.8168.9177.300000112.4
424Q31.7Very low31.2Very low184 Ų184134.4 Ų134.486%0.8678%0.78SS**  cis-163.9134.116.1-161.2174.291.800112.5
425S28.7Very low30.9Very low120 Ų120135.7 Ų135.784%0.83977%0.774SS**  trans170176.2133.257.80000113.6
426K29.7Very low30.8Very low193 Ų193132.6 Ų132.684%0.83977%0.765SS**  trans-63.2152.1-175.5-42.2162.1-176.1170.40110.5
427T31.7Very low31.2Very low129 Ų129133.2 Ų133.279%0.79176%0.764SS**  cis-152.5162.128.240.10000113.2
428A31.3Very low31.5Very low107 Ų107134.3 Ų134.388%0.88476%0.763SS**  trans16.7120.1150.900000120.8
429G32Very low31.6Very low75 Ų75136.2 Ų136.277%0.77377%0.765SS**  trans149.789.6170.700000110
430L31.5Very low31.7Very low166 Ų166134.1 Ų134.187%0.86976%0.756SS**  52.781.192-80.6175.5000116.5
431S30.6Very low31.9Very low93 Ų93134.6 Ų134.665%0.6575%0.752SS**  trans76149.8130.277.60000120.9
432K32.8Very low32.4Very low183 Ų183133.1 Ų133.180%0.79675%0.745SS**  trans74.5132.1168.7-62.2179.7-178.1-175.90113.9
433R27.9Very low32.4Very low213 Ų213138.3 Ų138.380%0.80475%0.75SS**  69.3136.650.6-67.7-177.1145.5-152.2-2.3111.1
434H27.1Very low32.4Very low127 Ų127142.7 Ų142.759%0.58875%0.749SS**  cis-161.1164.5-0.7-120.2-64.3000108.6
435N27.6Very low32.3Very low119 Ų119139.1 Ų139.164%0.63674%0.735SS**  trans64.1172.5150-68.318.3000116.1
436S31.1Very low32.8Very low95 Ų95139.2 Ų139.266%0.66473%0.733SS**  cis-133165.95.446.10000113.5
437Q43Very low32.9Very low167 Ų167137.2 Ų137.278%0.7872%0.724SS**  trans-69.6159.6158.7-66.3149.6-91.500109.7
438P36.7Very low33Very low117 Ų117137 Ų13776%0.7672%0.717SS**  -119.5139.3111.8-4.825000110.6
439V30Very low33.7Very low127 Ų127139.7 Ų139.777%0.7772%0.716SS**  73.7121.269.2175.20000113.3
440D31.2Very low33.5Very low110 Ų110142.9 Ų142.959%0.58871%0.711SS**  trans44.8109.2156.3-81.818.9000123.8
441K34.2Very low34.3Very low149 Ų149143.5 Ų143.565%0.64871%0.709SS**  58.5125.2109.7-63.9-175.6-166.783.40118.8
442N43.5Very low34.3Very low117 Ų117145.9 Ų145.963%0.62671%0.71SS**  trans66.188.7133.7-55.7-11.1000117.5R444N442-R444 HydrophobicContact CB-CB 4.27Å; N442-R444 VanDerWaalsContact O-CB 3.31Å; N442-R444 WeakPolarHBondContact O-CB 3.48Å
443Y38.5Very low34.1Very low229 Ų229146.5 Ų146.590%0.89871%0.708SS**  -82.8112.1111.3-90-102.7000107.8
444R30.5Very low34.2Very low176 Ų176141 Ų14166%0.66470%0.702SS**  cis71.6111.626.9-155.7-163.6177.5-168.33.4111.5N442N442-R444 HydrophobicContact CB-CB 4.27Å; N442-R444 VanDerWaalsContact O-CB 3.31Å; N442-R444 WeakPolarHBondContact O-CB 3.48Å
445L29Very low34.9Very low110 Ų110144 Ų14458%0.57672%0.716SS**  trans67.6170.9162.5-61.3162.8000115.4K447L445-K447 HydrophobicContact CD2-CB 4.17Å; L445-K447 HydrophobicContact CD2-CD 3.59Å; L445-K447 HydrophobicContact CD2-CG 3.5Å
446P39.3Very low35.6Very low121 Ų121143.7 Ų143.779%0.78671%0.714SS**  cis-90147.5-13.9-5.227.4000111.9
447K31.2Very low36.4Very low151 Ų151145.7 Ų145.766%0.65772%0.717SS**  62.5129.157.7-90.7-174.1-173-179.20114.5L445L445-K447 HydrophobicContact CD2-CB 4.17Å; L445-K447 HydrophobicContact CD2-CD 3.59Å; L445-K447 HydrophobicContact CD2-CG 3.5Å
448L34.3Very low36.3Very low124 Ų124143 Ų14365%0.64972%0.717SS**  33.6112.1123.1-48.5170.6000116.9
449L45.1Very low36.2Very low164 Ų164142 Ų14286%0.85972%0.718SS**  -122.1127.293.2-78.4112.4000106.2
450H29.3Very low36.4Very low142 Ų142141.9 Ų141.966%0.65772%0.718SS**  72.7155.776.9-81.1-70.6000113
451E48.3Very low36.8Very low180 Ų180145.2 Ų145.284%0.84173%0.73SS**  trans68.495.5-176.3-54.9173.9161.300111.7
452E30.4Very low36.9Very low142 Ų142146.8 Ų146.866%0.66474%0.739SS**  cis5896.722.3-113-85.9147.600112.3
453R27.5Very low36.5Very low197 Ų197147.2 Ų147.274%0.74375%0.746SS**  trans71.2130.6177.2-50.1164.3-151.1-127-13.4114.3
454S30.2Very low36.6Very low98 Ų98141 Ų14169%0.68574%0.742SS**SBendcis-155.9149.7-6.5430000108
455E41.8Very low36.5Very low190 Ų190143.3 Ų143.389%0.88875%0.752SS**SBendcis-129.6146.924.8-67.3164.9-13800114.2
456D43.4Very low37.4Very low112 Ų112143.2 Ų143.260%0.59976%0.758SS**  cis-166.7-179.9-27.5-1577000111.2
457L47.7Very low37.2Very low137 Ų137146.2 Ų146.272%0.71776%0.762SS**  trans71.465.1156-55.5-174.8000121.1
458S41.1Very low37.7Very low111 Ų111147.3 Ų147.378%0.77677%0.769SS**  77.2130.9112.269.60000126.5
459A34.8Very low38.3Very low96 Ų96147 Ų14779%0.79377%0.772SS**  trans98.9165.2130.700000124.1
460T34.2Very low37.5Very low123 Ų123144.3 Ų144.376%0.75577%0.774SS**  trans-152.6172.8-142.548.20000118.3
461E37.9Very low37.7Very low180 Ų180143.7 Ų143.784%0.84178%0.78SS**  trans76.5114.4142.8-82.8168.617000126.8
462E38Very low36.7Very low183 Ų183139.1 Ų139.186%0.85577%0.773SS**  39.7151.9121.6-132.4-178.2-12800127.9
463V34.9Very low36.7Very low125 Ų125141.2 Ų141.276%0.75878%0.78SS**  trans80.9111.9157.7-169.30000122.1
464A39.8Very low37.3Very low99 Ų99140.1 Ų140.182%0.81878%0.784SS**  trans-167.2162.6144.500000113.9
465Y29.3Very low37.6Very low225 Ų225141.4 Ų141.488%0.88279%0.79SS**  trans-120.4174.7168.3-79.6-99.6000108.5
466P46.9Very low37.7Very low108 Ų108134.7 Ų134.770%0.70177%0.771SS**  cis-126.1-136.7-4438.3-18.9000109.7
467E35.2Very low37.6Very low183 Ų183137.4 Ų137.486%0.85579%0.785SS**  trans69.2118.5178.1-51.7-168.3129.400114.4
468E41.5Very low37.6Very low175 Ų175141.4 Ų141.482%0.81879%0.792SS**  -166.2175.182-118.1-171.2-178.600114
469T47.1Very low37.1Very low116 Ų116139.5 Ų139.571%0.71279%0.79SS**  trans49.370.6161.158.60000119.5V471T469-V471 PolarHBondContact O-N 3.04Å
470A28Very low37.6Very low108 Ų108140.7 Ų140.789%0.89379%0.789SS**  trans-69.8122.5150.400000110.4
471V34Very low37.5Very low129 Ų129145 Ų14578%0.78280%0.798SS**  trans-125.9122.8168.9-178.90000108.7T469T469-V471 PolarHBondContact O-N 3.04Å
472A28.1Very low37.1Very low84 Ų84141.3 Ų141.369%0.69479%0.792SS**PPolyproline II helixtrans-66.7148.717700000110.5
473F28.9Very low36.7Very low187 Ų187137 Ų13782%0.8279%0.787SS**SBendcis-98.5169.835-91.7-99.7000117.7
474Q39.6Very low36.8Very low174 Ų174139.8 Ų139.881%0.81379%0.792SS**PPolyproline II helixtrans-59.7139.6-170-64.5155.7-61.900112.5
475P36.7Very low37Very low125 Ų125140.6 Ų140.681%0.81279%0.789SS**  trans-116.4175.7-140.81114000115
476G44.2Very low37.6Very low49 Ų49135.1 Ų135.151%0.50578%0.778SS.*  trans-75.7-177.3-175.900000116
477L42.6Very low37.3Very low169 Ų169137.6 Ų137.689%0.88579%0.786SS**  cis55.49221.9-69.8161.8000113.4
478Y46Very low37.4Very low221 Ų221131.9 Ų131.987%0.86778%0.776SS**  cis62124.614.4-66.4-83.1000116.2
479G30.9Very low37Very low70 Ų70134.2 Ų134.272%0.72278%0.778SS**  cis-178.7153.5-8.200000112.9
480P45.5Very low36.3Very low122 Ų122134.6 Ų134.679%0.79278%0.775SS**  trans-114.3-173.4-169.243.5-36.2000114.7
481K31.9Very low36.7Very low213 Ų213137.2 Ų137.293%0.92677%0.768SS**  trans-166.6163.8138.5-105.8157.8-172.2-1760114.5
482S30.5Very low36.9Very low103 Ų103136 Ų13672%0.7276%0.764SS**  trans-113.5-169.5-16652.70000111.8
483A28.9Very low37.3Very low91 Ų91141.8 Ų141.875%0.75277%0.773SS**  cis-156.3-15315.500000112.2
484E37.1Very low37.3Very low185 Ų185137.3 Ų137.386%0.86477%0.765SS**  trans-83.6-127.8165.1-52.3-165.9139.300110.6
485P44.6Very low37Very low115 Ų115136.8 Ų136.875%0.74777%0.767SS**  cis-123.4-149.9-4.935.4-9.9000110.7
486V40.4Very low36.6Very low110 Ų110137.1 Ų137.167%0.66776%0.762SS**  cis-161.2156.44.572.70000110.7
487N41Very low36.6Very low160 Ų160140.1 Ų140.186%0.85677%0.77SS**  trans164125.5134.8-91.3-48000112.5
488G38.6Very low36Very low64 Ų64138 Ų13866%0.6676%0.759SS**  cis142.3124.3-12.200000114.2
489R32.2Very low35.5Very low223 Ų223136.2 Ų136.284%0.84276%0.759SS**  trans-167.1139.2143.5-135.4-161164.2-177.6-4.9113.3
490L33.1Very low35.8Very low124 Ų124137.1 Ų137.165%0.64975%0.752SS**  trans67132.9163.3-60.8165.2000117.9
491E36.5Very low35.1Very low163 Ų163138.4 Ų138.476%0.76275%0.752SS**  cis-163.6166.8-34.3-120.6-171.2-13400108.1
492P38.1Very low35.1Very low105 Ų105132 Ų13268%0.68274%0.739SS**  -131.9142.3-115.335.5-15.6000116
493K35.2Very low35.4Very low205 Ų205134.3 Ų134.389%0.89174%0.743SS**  trans-173.5138.3151.8-105.1164.9-177.7-177.40108.8
494S30.6Very low35.7Very low93 Ų93133 Ų13365%0.6573%0.732SS**  cis-179.8121.8-31.440.80000106.4
495L32.4Very low35.5Very low163 Ų163132.3 Ų132.385%0.85373%0.729SS**  trans64.5148.4-175.9-61.8162.4000112.6
496D28.3Very low35Very low131 Ų131132.2 Ų132.270%0.70172%0.722SS**  cis-157.8174.9-13.1-144.6-18.2000108.7
497V43.4Very low34.5Very low113 Ų113134.4 Ų134.469%0.68573%0.73SS**  trans65.9175.6155.4169.40000115.7
498N29.9Very low34Very low123 Ų123130.3 Ų130.366%0.65873%0.725SS**  -151.4131.1-87.5-81.1-54.8000107.2
499E35.6Very low33.4Very low185 Ų185132.7 Ų132.786%0.86473%0.731SS**  trans57171.4-154.5-110.8-178-177.600111
500P37.6Very low33.7Very low88 Ų88125.7 Ų125.757%0.57173%0.729SS**  cis-117.3-157.1-19.538.5-22000109.9
501D30.7Very low33.5Very low150 Ų150129 Ų12980%0.80274%0.741SS**  trans51.7169.2145-55.5-26.4000118.9
502A31.5Very low33.1Very low79 Ų79127.1 Ų127.165%0.65374%0.741SS**  cis-153169.117.800000107.7
503D37.1Very low32.6Very low150 Ų150128 Ų12880%0.80274%0.744SS**  cis-164.61665.9-112.5-23.2000107.5
504A35Very low32.2Very low63 Ų63126 Ų12652%0.52174%0.738SS.*  cis-158.6155.90.200000110.4
505E34Very low32.4Very low172 Ų172130.3 Ų130.380%0.80475%0.748SS**  trans62.3150.5139.3-70.2167-161.800123.1
506N33.4Very low32.3Very low112 Ų112127.2 Ų127.260%0.59975%0.746SS**  cis-158-179.4-39.6-135-41.7000112.8
507L30.9Very low32.7Very low157 Ų157127.9 Ų127.982%0.82275%0.745SS**  trans-70.3170.3-178.8-68.6161.2000114.5
508G29.6Very low32.3Very low73 Ų73131 Ų13175%0.75374%0.744SS**  trans-143.59.1-167.500000119.3
509S27.2Very low32.5Very low114 Ų114130 Ų13080%0.79774%0.742SS**SBendtrans-166.2124.4165.463.10000112.9
510G38.5Very low32.2Very low77 Ų77129 Ų12979%0.79474%0.737SS**  trans38.8114161.400000117.8
511E27.7Very low31.8Very low193 Ų193133.8 Ų133.890%0.90275%0.752SS**SBendcis-102.9158.948.8-66-173.2114.500117.2
512T29.4Very low32.1Very low123 Ų123131.6 Ų131.676%0.75575%0.746SS**SBendtrans-0.4127.1164.751.80000121.6
513V27.3Very low32Very low123 Ų123134 Ų13475%0.74575%0.752SS**  trans88.2116.1151.1-178.30000118.3
514Q27.2Very low31.8Very low163 Ų163133.9 Ų133.976%0.76275%0.751SS**  trans73.5104.3158.3-77164.7-25.500121.4
515E33.1Very low31.5Very low184 Ų184135.8 Ų135.886%0.8676%0.76SS**  trans70.8144.2135.7-58.4-171.7114.200122.9
516A30.2Very low31.2Very low98 Ų98131.5 Ų131.581%0.8175%0.754SS**  trans70.1109.8163.900000122
517E38.3Very low31.1Very low145 Ų145131.1 Ų131.168%0.67876%0.76SS**  trans6.1119.7156.3-57.2-157.792.600124.8
518R35.2Very low31Very low179 Ų179129.5 Ų129.568%0.67576%0.757SS**  65151.4125.3-62.4173.8172.8151.86.5118.4
519V32.5Very low30.9Very low102 Ų102133.1 Ų133.162%0.61876%0.758SS**  cis-153.2167.326.1-129.80000107.4
520H29.5Very low31.1Very low164 Ų164134.9 Ų134.976%0.75976%0.757SS**  cis-164.9151.136-97.7-65.2000110.6
521E30.6Very low30.9Very low189 Ų189136.7 Ų136.788%0.88376%0.758SS**  trans-147.1154.9135.2-97.4-136.5125.900110.8
522P36.6Very low31.2Very low104 Ų104135.6 Ų135.668%0.67575%0.753SS**  trans-131141.3-155.337.4-19.2000116.7
523V28.8Very low31.5Very low129 Ų129140.3 Ų140.378%0.78276%0.757SS**  trans-141.7115.4170.3179.40000112.1
524L32Very low31.9Very low148 Ų148141.7 Ų141.778%0.77576%0.755SS**  trans60.6157.9166-61.4169.4000117.2
525S29.9Very low32.4Very low103 Ų103143.2 Ų143.272%0.7276%0.759SS**  cis-162.1165.8-32.252.40000108.7
526A28Very low32.5Very low82 Ų82142.1 Ų142.168%0.67876%0.758SS**  trans-67.3163.2-177.200000114.8
527S30Very low32.9Very low103 Ų103142 Ų14272%0.7275%0.749SS**  trans65.183.5160.648.80000119.5
528T29.9Very low32.8Very low124 Ų124141.1 Ų141.176%0.76176%0.756SS**  60.6120.8117.751.10000122.5
529L27.7Very low32.9Very low148 Ų148135.7 Ų135.778%0.77575%0.749SS**  trans92.5111.2136.8-66.5165.2000120.9
530I31.9Very low33Very low152 Ų152139.7 Ų139.778%0.77976%0.761SS**  trans64.898.7142-48.9164.4000116.9
531S33.1Very low33.1Very low115 Ų115138.2 Ų138.280%0.80476%0.759SS**  -172.7162.891.2-160.80000112.2
532Q34.3Very low33.2Very low169 Ų169136.5 Ų136.579%0.7976%0.755SS**  trans-81.5159.2171-59.9169.2-9.100110.7
533R35.4Very low32.9Very low222 Ų222134.1 Ų134.184%0.83875%0.75SS**  -179.1117.7116.6-96.7-178.3-179.9-161-0.5114.5
534H35.7Very low32.9Very low153 Ų153134.7 Ų134.771%0.70875%0.747SS**  trans43.4111.7148.7-45.5-59000121.1
535K37.8Very low32.8Very low195 Ų195133.1 Ų133.185%0.84875%0.748SS**  -161.894.8115.7-105.9165.9-174.9177.30112.8
536L34.8Very low32.7Very low160 Ų160135.2 Ų135.284%0.83875%0.751SS**  trans71.9154.1136.9-62.9169.5000119.8
537P39.1Very low33Very low96 Ų96136.2 Ų136.262%0.62375%0.753SS**  trans-101.9178.4-153.93.520.7000114.1A539P537-A539 HydrophobicContact CB-CB 3.62Å
538P36.1Very low32.9Very low127 Ų127140.5 Ų140.583%0.82576%0.762SS**  cis-62145.620.121-33.6000115.1
539A37.3Very low32.9Very low65 Ų65145.8 Ų145.854%0.53777%0.768SS.*  cis68.7106.217.500000115P537P537-A539 HydrophobicContact CB-CB 3.62Å
540E34.1Very low33.3Very low186 Ų186143.7 Ų143.787%0.86977%0.766SS**  cis-133.3130.8-2.1-61.3179.6139.600108
541N32.9Very low33.4Very low133 Ų133148.2 Ų148.271%0.71177%0.773SS**  67.8102.759.7-84.6-19000115.6
542L32.5Very low33.4Very low152 Ų152146.3 Ų146.380%0.79676%0.764SS**  trans68.9153.9142.9-53.3168.3000115.3
543G30Very low33.2Very low55 Ų55146.7 Ų146.757%0.56777%0.766SS**  cis90.7150.323.800000110.1
544I28.1Very low33.1Very low140 Ų140147 Ų14772%0.71877%0.773SS**  trans73.1116.3-157.2-40.8154.4000106.9
545S29.7Very low32.9Very low115 Ų115143.4 Ų143.480%0.80477%0.77SS**  52.6178.562.178.20000113.6
546D28.3Very low32.4Very low147 Ų147142.6 Ų142.679%0.78677%0.774SS**SBendtrans-60.3149.7-161.2-73.4-73.6000116.7
547S33.6Very low32Very low103 Ų103140.9 Ų140.972%0.7277%0.77SS**  trans7774.3160.173.40000118.9R549S547-R549 PolarHBondContact O-N 3.33Å
548Q27.9Very low31.2Very low194 Ų194140.8 Ų140.891%0.90777%0.772SS**  -63.290.8123.3-87.7-149.120.600108.6S550Q548-S550 PolarHBondContact O-N 3.16Å
549R31.4Very low30.8Very low235 Ų235140.8 Ų140.889%0.88777%0.77SS**  trans-81.5110.3160.8-159.4176.5-158-133.83.1108.1S547 R551S547-R549 PolarHBondContact O-N 3.33Å; R549-R551 PolarHBondContact O-N 2.63Å
550S34.9Very low30.4Very low103 Ų103144.5 Ų144.572%0.7278%0.78SS**  trans-59120.1-172.9-33.40000112.5Q548Q548-S550 PolarHBondContact O-N 3.16Å
551R34.3Very low30.4Very low248 Ų248142.4 Ų142.494%0.93677%0.773SS**  trans175.2133.6133-96.6173.3174.4-171.6-2.7110.5R549R549-R551 PolarHBondContact O-N 2.63Å
552A32.6Very low30.4Very low75 Ų75143.2 Ų143.262%0.6278%0.777SS**  cis-159.1161.2-7.800000111.9
553Q31.7Very low30.4Very low176 Ų176139.1 Ų139.182%0.82277%0.771SS**  trans49.5115.5146.8-71.9168.4-39.600119.2A555Q553-A555 VanDerWaalsContact C-N 3.33Å; Q553-A555 PolarHBondContact O-N 3.12Å
554K33.2Very low30.4Very low228 Ų228145.1 Ų145.199%0.99178%0.784SS**  trans-60.3100.5136.6-84.3-179.7176.3171.60108.7
555A29.7Very low30.4Very low78 Ų78144.6 Ų144.665%0.64579%0.787SS**  trans-126.9103.5150.300000107.5Q553Q553-A555 VanDerWaalsContact C-N 3.33Å; Q553-A555 PolarHBondContact O-N 3.12Å
556L28.1Very low30.6Very low178 Ų178150.7 Ų150.793%0.93279%0.793SS**  trans54.5154.9168-84158.7000120.3
557V25.6Very low30.5Very low125 Ų125150.3 Ų150.376%0.75879%0.786SS**SBendtrans-90.8154173.8165.80000109.5
558S23.6Very low30.4Very low94 Ų94153.1 Ų153.166%0.65778%0.782SS**  trans69.9126.9163.5610000119.2
559T28.1Very low30.6Very low127 Ų127151.8 Ų151.878%0.77977%0.768SS**  trans65.3140.7153.755.60000117.5
560L28.9Very low30.8Very low143 Ų143146.2 Ų146.275%0.74976%0.755SS**  cis-154.1171.611.2-152.971.2000110.3
561I34.1Very low30.6Very low141 Ų141146 Ų14672%0.72375%0.749SS**  trans76.8151.3155.7-79.2166000119.4
562L32.5Very low30.4Very low151 Ų151139.1 Ų139.179%0.79174%0.739SS**  trans-53.8162.2175.1-53.879.1000112.5
563G31.1Very low30.2Very low66 Ų66143.6 Ų143.668%0.6875%0.747SS**  cis119.6152.211.500000111.7
564Q31.6Very low30Very low181 Ų181141.1 Ų141.185%0.84674%0.744SS**  trans67.8115.7-179.3-54.8-1702.500116
565V27.5Very low29.8Very low129 Ų129136.5 Ų136.578%0.78274%0.735SS**  64.1103.185.7-166.80000114.5
566R32.9Very low29.9Very low242 Ų242137.2 Ų137.291%0.91373%0.733SS**  -172.3-179.8123.6-99.3164.3-161.4-144.90.7111.5
567H28.1Very low30.4Very low139 Ų139138.3 Ų138.364%0.64473%0.726SS**  trans-134.3158.9-155.5-116.531.3000114.2
568Y30.2Very low30.7Very low162 Ų162136.6 Ų136.664%0.63572%0.72SS**  trans66.5100.9162.7-62-54.5000122
569R33.2Very low31Very low166 Ų166140.1 Ų140.163%0.62672%0.723SS**  53119.1109-171.9-167.7-157.6179.35.2118.5Q938R569-Q938 PolarHBondContact O-NE2 3.15Å; R569-Q938 PolarHBondContact O-OE1 2.84Å
570I35.4Very low31.2Very low118 Ų118142.2 Ų142.261%0.60573%0.729SS**  trans-137.4165.8139.4-74-166.4000107.7Q938I570-Q938 HydrophobicContact CD1-CB 4.36Å; I570-Q938 HydrophobicContact CG1-CB 4.41Å
571V31.3Very low31.3Very low99 Ų99140 Ų14060%0.672%0.721SS**  trans-95.3141.1-169.2168.10000113
572S29.9Very low31.2Very low104 Ų104138.3 Ų138.373%0.72772%0.719SS**  trans63.9165.2162.1-67.80000116.5
573Q28.2Very low31.2Very low169 Ų169139.3 Ų139.379%0.7972%0.72SS**  cis-155.5173.91.9-139.7170.819.300109.5
574V26.8Very low31.3Very low124 Ų124141.9 Ų141.975%0.75272%0.724SS**  trans65.6129.2159.4172.60000114.7
575T29.5Very low31.5Very low130 Ų130140.4 Ų140.480%0.79872%0.723SS**  cis-136.3173.139.212.90000112.5
576P32Very low32Very low93 Ų93141 Ų14160%0.60472%0.717SS**  trans-124.6-139.2-148.846.3-33.3000114.9
577Y37.9Very low32.1Very low201 Ų201137.7 Ų137.779%0.78871%0.709SS**  trans80.5104.2-175.5-53.1-75.6000114
578S33Very low32.3Very low90 Ų90135.2 Ų135.263%0.62971%0.713SS**  cis77.9148.730.9101.80000113.7
579K28.5Very low32.6Very low168 Ų168133 Ų13373%0.7372%0.718SS**  cis-172.9142-0.2-131.4175.5-177.9-174.30108.8V581K579-V581 HydrophobicContact CB-CG2 4.04Å; K579-V581 HydrophobicContact CD-CG2 3.83Å; K579-V581 HydrophobicContact CG-CG2 3.77Å
580L31.9Very low32.4Very low171 Ų171131.6 Ų131.690%0.89572%0.722SS**  trans-150.6115140.8-71.5-176.6000104.8
581V31.8Very low32Very low96 Ų96134.7 Ų134.758%0.58273%0.731SS**  cis77132.837.6-174.50000112K579K579-V581 HydrophobicContact CB-CG2 4.04Å; K579-V581 HydrophobicContact CD-CG2 3.83Å; K579-V581 HydrophobicContact CG-CG2 3.77Å
582P32Very low32.1Very low105 Ų105136 Ų13668%0.68274%0.74SS**  cis-99.2-162.6-10.136.9-22.7000110.6
583E32.4Very low32.1Very low172 Ų172135.5 Ų135.580%0.80474%0.736SS**  cis-158.5133.817.6-159.2156.7-11400111.3
584P33.7Very low32.2Very low120 Ų120137 Ų13778%0.77974%0.741SS**  trans-131.3122.7174.736.2-20000114.1
585D35.9Very low32.7Very low151 Ų151137 Ų13781%0.80774%0.74SS**  trans-104.1137.2178.5-102.6-22.2000115.3
586E36.7Very low32.8Very low141 Ų141138.5 Ų138.566%0.65974%0.738SS**  trans1.4121.1155.9-48.7-165.7138.100118.5
587K36.7Very low32.6Very low172 Ų172140 Ų14075%0.74875%0.745SS**  -172.4145.657-97.6115.1-179.1155.60111.5
588A32.4Very low32.2Very low88 Ų88134.7 Ų134.773%0.72774%0.738SS**  trans-99.4145.2148.500000108.7
589P35.2Very low32Very low114 Ų114137.9 Ų137.974%0.7475%0.748SS**  -124.1150.3102.70.421.3000111
590L29Very low32.2Very low138 Ų138135.5 Ų135.572%0.72375%0.753SS**  64108.757.2-67.7170.7000115.3
591K26.8Very low32.3Very low182 Ų182135.8 Ų135.879%0.79175%0.749SS**  36.3117.8130-53.7175.9-174.3176.60118.9
592T34.9Very low32.2Very low128 Ų128137.2 Ų137.279%0.78576%0.758SS**  -133139.9124.652.30000108
593S28.7Very low32.3Very low92 Ų92143.2 Ų143.264%0.64377%0.768SS**  cis85.689.219.2870000116.3
594F29.8Very low32.4Very low202 Ų202143.8 Ų143.889%0.88677%0.77SS**SBendtrans-120.1127.8143.8-85-97.9000106.2
595T37.3Very low32.5Very low122 Ų122144.4 Ų144.475%0.74877%0.772SS**  cis-133.8167.94.838.40000113.5
596H32.9Very low32.6Very low162 Ų162142 Ų14275%0.7577%0.765SS**  trans-34140.4161.8-80.8-115000114.3
597V27.9Very low32.3Very low124 Ų124144 Ų14475%0.75277%0.771SS**  65.7118.161.5174.70000110.2
598S29.3Very low32Very low91 Ų91139.6 Ų139.664%0.63676%0.763SS**  cis-160.41522.344.60000113.1
599D28.7Very low31.8Very low156 Ų156143.9 Ų143.983%0.83477%0.765SS**  trans25.2124.5147.2-49.4-18.9000121.1
600S31.8Very low31.7Very low119 Ų119147.2 Ų147.283%0.83277%0.771SS**  trans-152.9112.5147.1-54.10000112.2
601E34.1Very low31.5Very low177 Ų177145.5 Ų145.583%0.82777%0.77SS**  trans27.5102.7142.1-57.1-173.7131.300122.4
602T30.2Very low31.7Very low126 Ų126143.6 Ų143.677%0.77377%0.769SS**  trans67152.9130.668.70000122.2
603R34.6Very low31.5Very low231 Ų231146.5 Ų146.587%0.87277%0.767SS**  trans74.5138-178.1-55.1-176.5176.2-173.1-1.1112.9
604E34.9Very low31.5Very low184 Ų184145.2 Ų145.286%0.8677%0.768SS**  cis-119.5-164.86.5-69.9-171.7141.600113.5
605T34.1Very low31.7Very low132 Ų132144.8 Ų144.881%0.8176%0.76SS**  trans-128.6-175.1-160.955.90000111.1
606P38.4Very low31.3Very low102 Ų102141.6 Ų141.666%0.66275%0.746SS**  -131.1-132.9-61.141.1-24.6000111.7
607F31Very low31.5Very low181 Ų181136.2 Ų136.279%0.79473%0.726SS**  trans84.488.9-176.3-60.5-77.8000115
608S29.5Very low31.6Very low81 Ų81132.4 Ų132.457%0.56671%0.705SS**  65.5130.772.679.50000113.2
609F28.7Very low31.9Very low178 Ų178134.1 Ų134.178%0.78170%0.703SS**  cis-151.216440.4-103.8-83.4000113.9
610Q33Very low32.2Very low184 Ų184133.7 Ų133.786%0.8670%0.699SS**  trans65.4137.1158.8-70.8167.2-2.200117.1
611S25.6Very low32.4Very low101 Ų101136.8 Ų136.871%0.70670%0.7SS**  cis-152.5158.74.757.70000110.8
612D29.9Very low32.5Very low143 Ų143134.5 Ų134.577%0.76569%0.694SS**  trans-163.4155.5149.5-102.2-19.1000115.7
613Y30.8Very low32.8Very low189 Ų189131.3 Ų131.374%0.74169%0.685SS**  trans-25151.3176.3-57.2-94.6000120
614G29.9Very low32.7Very low65 Ų65129.4 Ų129.467%0.6768%0.684SS**  cis134.9155.118.100000112.1
615R33.6Very low32.7Very low192 Ų192127 Ų12773%0.72568%0.677SS**  trans170.7102.3154.6-97.1165.8178.5-122.3-3.3118.3S237S237-R615 PolarHBondContact OG-NH1 3.23Å; S237-R615 VanDerWaalsContact OG-NH1 3.09Å
616A28.7Very low32.8Very low55 Ų55129.6 Ų129.646%0.45568%0.68SS.*  70.9163.9126.600000127.7S946 G947A616-S946 WeakPolarHBondContact CB-O 3.36Å; A616-G947 VanDerWaalsContact C-CA 3.46Å; A616-G947 VanDerWaalsContact O-CA 3.23Å; A616-G947 WeakPolarHBondContact O-CA 3.42Å
617P36.7Very low32.7Very low49 Ų49128.5 Ų128.532%0.31869%0.687SS.*  trans-109.2-159.6-175.542.3-43.7000122.8Y233 S234 G235 V944 S946 G947Y233-P617 CarbonylContact O-C 3.33Å; Y233-P617 WeakPolarHBondContact O-CA 3Å; Y233-P617 VanDerWaalsContact O-CB 3.3Å; Y233-P617 WeakPolarHBondContact O-CB 3.16Å; S234-P617 CarbonylContact C-O 3.52Å; S234-P617 VanDerWaalsContact C-O 3.3Å; S234-P617 WeakPolarHBondContact CA-O 3.31Å; G235-P617 PolarHBondContact N-O 3.39Å; P617-V944 HydrophobicContact CG-CG1 3.88Å; P617-S946 CarbonylContact O-C 3.08Å; P617-S946 WeakPolarHBondContact O-CA 3.29Å; P617-S946 WeakPolarHBondContact O-CB 3.28Å; P617-S946 PolarHBondContact O-OG 3Å; P617-G947 PolarHBondContact O-N 3.4Å
618S31Very low33Very low44 Ų44131.4 Ų131.431%0.30869%0.693SS.*  trans38.1122.2-176.277.30000128.2Y233 S234 G235 S946Y233-S618 PolarHBondContact O-N 2.67Å; S234-S618 CarbonylContact C-O 3.15Å; S234-S618 VanDerWaalsContact C-O 3.3Å; S234-S618 CarbonylContact O-C 3.28Å; S234-S618 VanDerWaalsContact O-C 3.23Å; G235-S618 CarbonylContact C-O 3.23Å; G235-S618 WeakPolarHBondContact CA-O 3.47Å; G235-S618 PolarHBondContact N-O 2.99Å; G235-S618 VanDerWaalsContact O-O 3.13Å; S618-S946 WeakPolarHBondContact OG-CB 3.22Å; S618-S946 PolarHBondContact OG-OG 3.18Å
619Q35.1Very low33.3Very low128 Ų128136.6 Ų136.660%0.59871%0.705SS**  trans89.2131.7162.1-59.8-179.8-3.100123.4S234 G235S234-Q619 VanDerWaalsContact C-N 3.31Å; S234-Q619 CarbonylContact C-O 3.56Å; S234-Q619 CarbonylContact O-C 3.52Å; S234-Q619 WeakPolarHBondContact O-CA 3.22Å; S234-Q619 PolarHBondContact O-N 3.03Å; G235-Q619 WeakPolarHBondContact CA-O 3.39Å
620I34.4Very low33.6Very low147 Ų147135.5 Ų135.575%0.75471%0.707SS**  -147.2136.350.2-67.8165.2000113.7
621E35.9Very low33.6Very low183 Ų183135.2 Ų135.286%0.85571%0.711SS**  -161.1144.4121.5-163.8157.5-132.800109.8
622N37.3Very low34.1Very low130 Ų130134.5 Ų134.570%0.69571%0.711SS**  trans-143.7165.3-173.5-69.4-53.7000108.4
623G36.2Very low34.1Very low58 Ų58136 Ų13660%0.59871%0.714SS**  cis160.1-161.32.600000110.6
624F31.9Very low34.2Very low191 Ų191133.1 Ų133.184%0.83871%0.711SS**  trans71.4144.3176.2-60.2-96.7000115.6
625D35Very low34.3Very low134 Ų134136.8 Ų136.872%0.71772%0.715SS**  cis-148.7-173.97.2-133.6-25.7000115.7
626E35.8Very low34.1Very low186 Ų186136.6 Ų136.687%0.86972%0.715SS**  trans-37158.9-175.9-45.8-170.6115.500120.8
627G36.7Very low34.3Very low79 Ų79142.5 Ų142.581%0.81474%0.736SS**  trans162.9112.8156.700000119.1
628R36.4Very low34Very low242 Ų242141.6 Ų141.691%0.91373%0.733SS**  trans-68.8140.2-173.3-61.3167.7173.7-176.7-1117.5
629K37Very low34.6Very low191 Ų191148.8 Ų148.883%0.8376%0.763SS**  trans52.9118.3139.6-67.9-173.8175.8-175.60121.9
630N34.1Very low34.4Very low154 Ų154153 Ų15382%0.82477%0.774SS**  trans35.197.8136.8-59.822.1000120.4
631L34.6Very low34.5Very low179 Ų179150.8 Ų150.894%0.93777%0.769SS**  -161.5157.8116.8-113.3146.5000109.3
632A34.2Very low34.4Very low85 Ų85150.4 Ų150.470%0.70277%0.767SS**  trans-104.3124.4179.400000110.1
633Q31.8Very low34.2Very low176 Ų176148 Ų14882%0.82277%0.774SS**  trans-165.8105.9153.2-114.8173-37.900111.6
634D32.8Very low33.8Very low128 Ų128151.6 Ų151.668%0.68478%0.784SS**  trans37.7102.2132.6-43.3-16000119.9
635D31Very low33.8Very low141 Ų141148.2 Ų148.275%0.75478%0.779SS**  55.2175.7117.4-65.9-11.8000123.1
636Y29.7Very low33.5Very low188 Ų188150.8 Ų150.874%0.73778%0.784SS**  trans79.662.6167.2-61.5-84.5000119.2A638Y636-A638 HydrophobicContact CD1-CB 3.83Å; Y636-A638 HydrophobicContact CG-CB 4.4Å
637M32.1Very low33.1Very low180 Ų180147.6 Ų147.689%0.88778%0.782SS**  -104.1105.5104.8-72.5-67.9-71.100106.3
638A32Very low32.8Very low30 Ų30148.8 Ų148.825%0.24878%0.784CS.*  cis59.896.33200000112.9Y636Y636-A638 HydrophobicContact CD1-CB 3.83Å; Y636-A638 HydrophobicContact CG-CB 4.4Å
639M42.4Very low32.2Very low194 Ų194141.6 Ų141.696%0.95678%0.777SS**SBend-63.9119.2119.5-71.2-70.1-7900105.8
640R30.6Very low31.8Very low216 Ų216138.3 Ų138.382%0.81578%0.775SS**SBendtrans-58156.8174.1-75.2-176175.1-170.6-1.8110.4
641P37.2Very low31.7Very low101 Ų101135.2 Ų135.266%0.65677%0.77SS**  cis-133.8173.312.239.5-21.7000116.6
642E32.8Very low31.2Very low175 Ų175131.1 Ų131.182%0.81876%0.763SS**  trans23.2135.5138.2-60.7140.8-137.900121.6
643G33.1Very low30.8Very low81 Ų81130.8 Ų130.884%0.83576%0.755SS**  trans-178.958.7171.400000115.5
644V28.9Very low30.9Very low132 Ų132130.2 Ų130.280%0.876%0.757SS**  trans-90.6131-169.8-160.40000112.9
645T31.4Very low31Very low120 Ų120131.1 Ų131.174%0.73676%0.76SS**  155.1127.112345.10000116.8
646K28.9Very low31.1Very low189 Ų189128.4 Ų128.482%0.82275%0.749SS**  trans37.4122.1131-57.3-179.8179.6176.20122.1
647S26.4Very low31.2Very low118 Ų118127.3 Ų127.383%0.82575%0.75SS**  trans63.9101.6132.365.70000121.4
648A31.8Very low31.2Very low105 Ų105126.8 Ų126.887%0.86875%0.746SS**  trans-156.716213500000110.6
649A23.6Very low31.1Very low91 Ų91133.9 Ų133.975%0.75277%0.774SS**  trans-88.2179.7159.500000108.7
650P28.6Very low30.5Very low122 Ų122133.8 Ų133.879%0.79277%0.771SS**  cis-138.7-144.610.244.3-23.4000112.7
651A31.1Very low30.4Very low88 Ų88128 Ų12873%0.72776%0.763SS**  trans65.7114.8176.500000114.5
652A24.9Very low30Very low94 Ų94132.8 Ų132.878%0.77777%0.774SS**  cis70.7116.846.300000114.7
653S25.6Very low29.9Very low78 Ų78132.9 Ų132.955%0.54578%0.777SS.*  trans66.6108.1133.6173.80000119.3T656S653-T656 WeakPolarHBondContact OG-CG2 3.46Å
654L34.6Very low30.2Very low164 Ų164134.2 Ų134.286%0.85977%0.77SS**SBend-167114.4114.6-94.1148.8000106.2
655I33.4Very low30.2Very low146 Ų146136.2 Ų136.275%0.74977%0.768SS**SBendcis-132.596.69.9-75.5169.3000106.4
656T34.1Very low30Very low84 Ų84137 Ų13752%0.51576%0.763SS.*  65.5134.195.662.10000114.7S653S653-T656 WeakPolarHBondContact OG-CG2 3.46Å
657Q31.2Very low29.9Very low165 Ų165135.7 Ų135.777%0.77176%0.761SS**  cis-131.5138.917.9-67.5176.7-28.800110.8
658Q32.6Very low30Very low169 Ų169135.3 Ų135.379%0.7976%0.758SS**  42.7122.5104.8-60.2178.9-80.600114.3
659E29.5Very low29.7Very low179 Ų179134.7 Ų134.784%0.83675%0.753SS**  cis58.298.921-168.1171.4-138.400115.9
660E31.3Very low30Very low193 Ų193136.7 Ų136.790%0.90276%0.758SS**  -156.8-179.5120-126.5179.6-166.600111.1
661S27.4Very low29.8Very low94 Ų94135.2 Ų135.266%0.65776%0.756SS**  trans-145.3167.3-158.769.10000116.9
662K28.9Very low29.8Very low201 Ų201137.3 Ų137.387%0.87476%0.759SS**  trans87.4117.6168.6-58.4164.3-173.8166.30117.6
663M31.5Very low30Very low178 Ų178139.5 Ų139.588%0.87776%0.758SS**  trans-71.4179.4156.7-47.2-171.1-66.100110.4
664P39Very low30.2Very low108 Ų108144.4 Ų144.470%0.70177%0.774SS**  cis-136.2160.5-2.237.2-19.8000116.2
665K27.7Very low29.9Very low175 Ų175140.2 Ų140.276%0.76176%0.764SS**  161.8136.8118.5-95.9-172.8174.1-163.40115.3
666Q28.1Very low29.5Very low135 Ų135141.9 Ų141.963%0.63177%0.768SS**  60.2135.6123.3-159.1175.9-3200120.8
667E27.8Very low29.3Very low163 Ų163143.1 Ų143.176%0.76278%0.776SS**  trans64.9143.7173.3-74.8143.1-134.500116.1
668S26.6Very low29.1Very low110 Ų110141.7 Ų141.777%0.76977%0.773SS**  cis-157.3165.7-1546.60000110
669A25.8Very low28.9Very low92 Ų92139.5 Ų139.576%0.7678%0.776SS**  trans-70.8158.4177.700000112.2
670P30.8Very low28.8Very low133 Ų133136.1 Ų136.186%0.86477%0.773SS**  -143.9-175.179.239.2-21.3000115.8
671A24.8Very low28.6Very low90 Ų90132.3 Ų132.374%0.74476%0.763SS**  trans-89.9164.7-169.800000115.8
672V29.8Very low28.8Very low132 Ų132135.2 Ų135.280%0.877%0.766SS**  trans-140.5114.4143.5177.50000111
673N30.5Very low28.8Very low140 Ų140133 Ų13375%0.74976%0.763SS**  trans29.7121.9147.9-53.1-15.8000122.8
674M29Very low28.8Very low181 Ų181132.5 Ų132.589%0.89276%0.763SS**  167.898.1115.4-86.3-62.2-154.800107.7
675A28.9Very low28.3Very low77 Ų77134.5 Ų134.564%0.63677%0.768SS**  87.298.367.100000115
676H25.1Very low28.3Very low181 Ų181130.3 Ų130.384%0.83877%0.766SS**  trans57.9155.1155.4-64.5-67.9000119.5
677T28Very low28.6Very low110 Ų110131.9 Ų131.968%0.67578%0.777SS**  cis-151.4177.714.8-19.30000112.5
678D28.2Very low29.1Very low134 Ų134132.7 Ų132.772%0.71778%0.779SS**  trans77100.5149.9-59.3-28000123.3
679S27.4Very low29.5Very low123 Ų123133.9 Ų133.986%0.8678%0.776SS**  trans72.9147.9142.876.70000119.3
680S27.4Very low30.5Very low109 Ų109134.3 Ų134.376%0.76277%0.771SS**  cis-142.7156.12.563.40000113.1
681T28.7Very low30.9Very low112 Ų112133.9 Ų133.969%0.68776%0.761SS**  trans-82.7176.7155.155.50000110.1
682E29.8Very low31.9Very low155 Ų155137.8 Ų137.872%0.72477%0.769SS**  cis-98.5-168.2-22.2-69.681.7-122.600108.8
683D30.6Very low32.8Very low154 Ų154132.8 Ų132.882%0.82474%0.742SS**  -155.5123.556.6-89.3-39000111.5
684I30.9Very low33.8Very low169 Ų169130.4 Ų130.487%0.86773%0.734SS**  trans-121.7112.1157.4-64.9-177.7000107.7A686I684-A686 PolarHBondContact O-N 3.19Å
685N27.6Very low34.4Very low150 Ų150124.9 Ų124.980%0.80272%0.717SS**  trans-42119.7-172.8-68.3-71.8000114.8
686A27.7Very low35.9Very low87 Ų87126 Ų12672%0.71972%0.717SS**  trans-135115.4165.900000111.4I684I684-A686 PolarHBondContact O-N 3.19Å
687L35.4Very low37.4Very low167 Ų167120.6 Ų120.687%0.87470%0.697SS**  trans55.584.4159-66.8158.1000117.3L689L687-L689 PolarHBondContact O-N 3.31Å
688F37.2Very low38.4Very low181 Ų181119.9 Ų119.979%0.79468%0.682SS**  trans-60.8114.6160.9-81.7-95.1000111.5
689L36.2Very low39.6Very low134 Ų134118.4 Ų118.470%0.70267%0.672SS**  trans-98.7131.3158.8-75.5170.4000109.4L687L687-L689 PolarHBondContact O-N 3.31Å
690P46.2Very low41.1Very low102 Ų102114.8 Ų114.866%0.66265%0.65SS**  trans-67.2158.4-173.725.2-33.3000113.8L692P690-L692 PolarHBondContact O-N 3.18Å
691N39.7Very low42.5Very low123 Ų123113.1 Ų113.166%0.65863%0.632SS**SBendtrans-6621.3-159.7-75.3-49.3000118.6A693 R698N691-A693 VanDerWaalsContact C-N 3.3Å; N691-A693 PolarHBondContact O-N 3.5Å; N691-R698 PolarHBondContact O-NH2 2.87Å; N691-R698 PolarHBondContact OD1-NH1 3.48Å
692L46.2Very low43.3Very low172 Ų172110.7 Ų110.790%0.90162%0.619SS**  trans-77.94.5-168.4-74.7168.5000116.7P690P690-L692 PolarHBondContact O-N 3.18Å
693A47.2Very low44.5Very low28 Ų28111.9 Ų111.923%0.23162%0.617CS.*SBendtrans-125.7145.1174.100000111.6N691 V697 R698N691-A693 VanDerWaalsContact C-N 3.3Å; N691-A693 PolarHBondContact O-N 3.5Å; A693-V697 HydrophobicContact CB-CB 4.18Å; A693-V697 HydrophobicContact CB-CG1 4.02Å; A693-R698 HydrophobicContact CB-CG 4.36Å; A693-R698 VanDerWaalsContact O-CZ 3.25Å; A693-R698 PolarHBondContact O-NE 3.06Å; A693-R698 PolarHBondContact O-NH2 3.41Å
694P52.7Low45.8Very low90 Ų90110.4 Ų110.458%0.58461%0.608SS**  trans-64.8154.3176.827.8-34.4000111.5P696 V697 R698P694-P696 VanDerWaalsContact C-CD 3.43Å; P694-P696 VanDerWaalsContact O-N 3.16Å; P694-V697 HydrophobicContact CG-CB 4.46Å; P694-V697 HydrophobicContact CG-CG2 3.96Å; P694-V697 PolarHBondContact O-N 3.01Å; P694-R698 PolarHBondContact O-N 2.89Å
695A42Very low46.9Very low65 Ų65108 Ų10854%0.53760%0.595SS.*Hα-helixtrans-52.1-39.1-169.900000115.7V697 R698 M699A695-V697 VanDerWaalsContact C-N 3.31Å; A695-V697 PolarHBondContact O-N 3.37Å; A695-R698 PolarHBondContact O-N 3.47Å; A695-M699 WeakPolarHBondContact O-CG 3.33Å; A695-M699 PolarHBondContact O-N 2.91Å
696P59.3Low47.8Very low100 Ų100107.8 Ų107.865%0.64959%0.593SS**Hα-helixtrans-62.2-35.4176.5-23.935.4000113.5P694 M699 A700P694-P696 VanDerWaalsContact C-CD 3.43Å; P694-P696 VanDerWaalsContact O-N 3.16Å; P696-M699 PolarHBondContact O-N 3.35Å; P696-A700 WeakPolarHBondContact O-CB 3.45Å; P696-A700 PolarHBondContact O-N 3.01Å
697V56.7Low48.4Very low68 Ų68105.7 Ų105.741%0.41258%0.581SS.*Hα-helixtrans-72.3-39.2179.31780000110.5A693 P694 A695 A700 I701A693-V697 HydrophobicContact CB-CB 4.18Å; A693-V697 HydrophobicContact CB-CG1 4.02Å; P694-V697 HydrophobicContact CG-CB 4.46Å; P694-V697 HydrophobicContact CG-CG2 3.96Å; P694-V697 PolarHBondContact O-N 3.01Å; A695-V697 VanDerWaalsContact C-N 3.31Å; A695-V697 PolarHBondContact O-N 3.37Å; V697-A700 PolarHBondContact O-N 2.95Å; V697-I701 HydrophobicContact CG1-CD1 3.9Å; V697-I701 WeakPolarHBondContact O-CB 3.34Å; V697-I701 VanDerWaalsContact O-CG1 3.3Å; V697-I701 WeakPolarHBondContact O-CG1 3.14Å; V697-I701 PolarHBondContact O-N 3.32Å
698R49.5Very low48.6Very low94 Ų94106 Ų10636%0.35558%0.582SS.*Hα-helixtrans-63.3-44.7171-83.7-178-85.1173-17.1112.1N691 A693 P694 A695 A700 I701 S702N691-R698 PolarHBondContact O-NH2 2.87Å; N691-R698 PolarHBondContact OD1-NH1 3.48Å; A693-R698 HydrophobicContact CB-CG 4.36Å; A693-R698 VanDerWaalsContact O-CZ 3.25Å; A693-R698 PolarHBondContact O-NE 3.06Å; A693-R698 PolarHBondContact O-NH2 3.41Å; P694-R698 PolarHBondContact O-N 2.89Å; A695-R698 PolarHBondContact O-N 3.47Å; R698-A700 VanDerWaalsContact C-N 3.31Å; R698-A700 PolarHBondContact O-N 2.91Å; R698-I701 PolarHBondContact O-N 3.36Å; R698-S702 WeakPolarHBondContact O-CB 3.49Å; R698-S702 PolarHBondContact O-N 3.37Å; R698-S702 PolarHBondContact O-OG 3.15Å
699M53.6Low48.5Very low104 Ų104100.2 Ų100.251%0.51257%0.573SS.*Hα-helixtrans-60.2-38.8174.2-74.6-68-71.200112.6A695 P696 R703A695-M699 WeakPolarHBondContact O-CG 3.33Å; A695-M699 PolarHBondContact O-N 2.91Å; P696-M699 PolarHBondContact O-N 3.35Å; M699-R703 VanDerWaalsContact O-CB 3.32Å; M699-R703 WeakPolarHBondContact O-CB 3.46Å; M699-R703 WeakPolarHBondContact O-CG 3.14Å; M699-R703 PolarHBondContact O-N 3.49Å
700A58.2Low48.4Very low47 Ų47100.5 Ų100.539%0.38858%0.581SS.*Hα-helixtrans-65.3-48.1174.400000111.6P696 V697 R698 R703 I704P696-A700 WeakPolarHBondContact O-CB 3.45Å; P696-A700 PolarHBondContact O-N 3.01Å; V697-A700 PolarHBondContact O-N 2.95Å; R698-A700 VanDerWaalsContact C-N 3.31Å; R698-A700 PolarHBondContact O-N 2.91Å; A700-R703 PolarHBondContact O-N 3.4Å; A700-I704 WeakPolarHBondContact O-CD1 3.26Å; A700-I704 VanDerWaalsContact O-CG1 3.27Å; A700-I704 WeakPolarHBondContact O-CG1 3.39Å; A700-I704 PolarHBondContact O-N 2.85Å
701I57.1Low47.8Very low74 Ų74104 Ų10438%0.37959%0.589SS.*Hα-helixtrans-62-45.2178.1-69.5167.2000111.1V697 R698 R703 I704 I705V697-I701 HydrophobicContact CG1-CD1 3.9Å; V697-I701 WeakPolarHBondContact O-CB 3.34Å; V697-I701 VanDerWaalsContact O-CG1 3.3Å; V697-I701 WeakPolarHBondContact O-CG1 3.14Å; V697-I701 PolarHBondContact O-N 3.32Å; R698-I701 PolarHBondContact O-N 3.36Å; I701-R703 VanDerWaalsContact C-N 3.33Å; I701-R703 PolarHBondContact O-N 3.17Å; I701-I704 PolarHBondContact O-N 3.07Å; I701-I704 VanDerWaalsContact O-N 3.15Å; I701-I705 HydrophobicContact CG2-CD1 3.66Å; I701-I705 HydrophobicContact CG2-CG1 4.37Å; I701-I705 WeakPolarHBondContact O-CG1 3.41Å; I701-I705 PolarHBondContact O-N 3.18Å
702S46.6Very low47.3Very low61 Ų61104.7 Ų104.743%0.42760%0.597SS.*Hα-helixtrans-60.7-40.2174.7-64.40000112.2R698 I704 I705 L706R698-S702 WeakPolarHBondContact O-CB 3.49Å; R698-S702 PolarHBondContact O-N 3.37Å; R698-S702 PolarHBondContact O-OG 3.15Å; S702-I704 VanDerWaalsContact C-N 3.33Å; S702-I704 PolarHBondContact O-N 3.47Å; S702-I705 PolarHBondContact O-N 2.86Å; S702-L706 VanDerWaalsContact O-CB 3.28Å; S702-L706 WeakPolarHBondContact O-CB 3.33Å; S702-L706 WeakPolarHBondContact O-CG 3.37Å; S702-L706 PolarHBondContact O-N 2.89Å
703R53.9Low46.6Very low179 Ų179101.7 Ų101.768%0.67559%0.59SS**Hα-helixtrans-70.3-24.7175-75.2173177.1-170.6-2114M699 A700 I701 G707M699-R703 VanDerWaalsContact O-CB 3.32Å; M699-R703 WeakPolarHBondContact O-CB 3.46Å; M699-R703 WeakPolarHBondContact O-CG 3.14Å; M699-R703 PolarHBondContact O-N 3.49Å; A700-R703 PolarHBondContact O-N 3.4Å; I701-R703 VanDerWaalsContact C-N 3.33Å; I701-R703 PolarHBondContact O-N 3.17Å; R703-G707 WeakPolarHBondContact O-CA 3.28Å; R703-G707 PolarHBondContact O-N 3.36Å
704I58.7Low45.8Very low124 Ų124109.1 Ų109.164%0.63662%0.62SS**Hα-helixtrans-77.9-44172.8-70161.9000110A700 I701 S702 G707A700-I704 WeakPolarHBondContact O-CD1 3.26Å; A700-I704 VanDerWaalsContact O-CG1 3.27Å; A700-I704 WeakPolarHBondContact O-CG1 3.39Å; A700-I704 PolarHBondContact O-N 2.85Å; I701-I704 PolarHBondContact O-N 3.07Å; I701-I704 VanDerWaalsContact O-N 3.15Å; S702-I704 VanDerWaalsContact C-N 3.33Å; S702-I704 PolarHBondContact O-N 3.47Å; I704-G707 PolarHBondContact O-N 3.01Å; I704-G707 VanDerWaalsContact O-N 3.14Å
705I53.2Low44.7Very low117 Ų117111.9 Ų111.960%0.663%0.625SS**Hα-helixtrans-67.4-41.1179.1-68.4171.5000111.6I701 S702 G707I701-I705 HydrophobicContact CG2-CD1 3.66Å; I701-I705 HydrophobicContact CG2-CG1 4.37Å; I701-I705 WeakPolarHBondContact O-CG1 3.41Å; I701-I705 PolarHBondContact O-N 3.18Å; S702-I705 PolarHBondContact O-N 2.86Å; I705-G707 VanDerWaalsContact C-N 3.27Å
706L46.9Very low44.1Very low146 Ų146112.9 Ų112.976%0.76464%0.642SS**THydrogen-bonded Turntrans-84.5-0.1172.9-61.9169000112.8S702S702-L706 VanDerWaalsContact O-CB 3.28Å; S702-L706 WeakPolarHBondContact O-CB 3.33Å; S702-L706 WeakPolarHBondContact O-CG 3.37Å; S702-L706 PolarHBondContact O-N 2.89Å
707G40Very low42.6Very low44 Ų44113 Ų11345%0.45464%0.642SS.*  trans-86.8-12.8-173.400000115.2R703 I704 I705 G709R703-G707 WeakPolarHBondContact O-CA 3.28Å; R703-G707 PolarHBondContact O-N 3.36Å; I704-G707 PolarHBondContact O-N 3.01Å; I704-G707 VanDerWaalsContact O-N 3.14Å; I705-G707 VanDerWaalsContact C-N 3.27Å; G707-G709 PolarHBondContact O-N 3.2Å
708L39.7Very low41.5Very low174 Ų174114.9 Ų114.991%0.91166%0.655SS**THydrogen-bonded Turntrans-76.456.3173.4-81.3164.2000111.1
709G35.3Very low40.5Very low58 Ų58115.4 Ų115.460%0.59868%0.679SS**THydrogen-bonded Turntrans-164.99.7-162.700000118.6G707G707-G709 PolarHBondContact O-N 3.2Å
710T34.1Very low39.6Very low141 Ų141119.8 Ų119.887%0.86570%0.695SS**  trans-171.7137.7155.212.40000112.1
711Q34.5Very low38.3Very low176 Ų176121.6 Ų121.682%0.82271%0.711SS**  trans-89.4148.8160.3-69.6177.7-29.100110
712T28.8Very low37.1Very low136 Ų136127.4 Ų127.483%0.83474%0.736SS**  trans42.386.9147.457.30000119.5
713S31.3Very low36.3Very low109 Ų109127.9 Ų127.976%0.76275%0.751SS**  trans-166.4131.2131.543.90000106.9
714Q29.2Very low35.3Very low184 Ų184128.3 Ų128.386%0.8676%0.76SS**  cis44.866.633.7-77-151.918.900112.5
715Q30.9Very low34Very low148 Ų148130.7 Ų130.769%0.69277%0.769SS**  -169.7127.8101.7-99165.2600112.5T717Q715-T717 HydrophobicContact CB-CG2 4.04Å; Q715-T717 HydrophobicContact CG-CG2 4.45Å; Q715-T717 PolarHBondContact O-N 3.05Å
716G28.4Very low32.9Very low86 Ų86130.8 Ų130.889%0.88778%0.777SS**  trans-75.485.214400000107.7
717T29.4Very low32.5Very low104 Ų104128.3 Ų128.364%0.63877%0.77SS**  trans-68.715817215.60000110.4Q715Q715-T717 HydrophobicContact CB-CG2 4.04Å; Q715-T717 HydrophobicContact CG-CG2 4.45Å; Q715-T717 PolarHBondContact O-N 3.05Å
718P32.6Very low32.1Very low107 Ų107135.6 Ų135.670%0.69579%0.785SS**  -104.9165.6-129.238-39.5000115.3K720P718-K720 PolarHBondContact O-N 3.14Å
719A27.9Very low32Very low105 Ų105134.9 Ų134.987%0.86878%0.777SS**  trans-65.697.6158.100000110.7
720K35Very low31.8Very low195 Ų195141.5 Ų141.585%0.84879%0.789SS**  trans-61153.9143.2-75.2-179.1177179.30109P718P718-K720 PolarHBondContact O-N 3.14Å
721A30.9Very low31.8Very low86 Ų86140 Ų14071%0.71178%0.78SS**  cis-166.3136.1-23.800000108.5
722Q31.8Very low31.6Very low195 Ų195139 Ų13991%0.91178%0.78SS**  trans-126.3142.1141.2-69-172.6-45.300105.1
723G29.5Very low31.8Very low71 Ų71139 Ų13973%0.73278%0.776SS**  77.6106.696.400000108.7
724E32.5Very low32Very low189 Ų189141.2 Ų141.288%0.88377%0.774SS**  cis-141.3164.429.3-73166.313800115.3
725Q31.7Very low32.5Very low173 Ų173140.6 Ų140.681%0.80877%0.768SS**  trans-5125.6165.1-64.5175.1-26.400120.7
726P30.1Very low32.8Very low120 Ų120143.5 Ų143.578%0.77978%0.779SS**  trans-73.8154.2130.336.4-34.2000109.9
727P39.5Very low32.9Very low94 Ų94144.6 Ų144.661%0.6177%0.768SS**  -140172.192.535.6-19.1000111.5
728Y31.2Very low33Very low196 Ų196148.8 Ų148.877%0.76978%0.781SS**  cis-131.6-173.321.7-87.2-90.9000109.4
729E36.8Very low32.9Very low160 Ų160147.2 Ų147.275%0.74878%0.784SS**  cis-160.6137.121.1-157.5162-115.100112.6
730K31.2Very low33.6Very low196 Ų196147.5 Ų147.585%0.85278%0.779SS**  trans174.387.3130.9-97.6164.9-177171.30112.5
731T33.9Very low33.3Very low111 Ų111146.7 Ų146.768%0.68178%0.776SS**SBendtrans-139.3127.2153.738.70000107.6
732D30.1Very low33.5Very low153 Ų153148.4 Ų148.482%0.81878%0.78SS**  trans68.8155.2160.7-48.9-40.1000119.2
733D35Very low33.6Very low138 Ų138143.7 Ų143.774%0.73876%0.764SS**  trans52.6117.9-171.5-69-19.7000117
734Q33.8Very low33.9Very low154 Ų154145.2 Ų145.272%0.7277%0.77SS**  57.1132.973-62.6-160.830.200112.7
735K40.9Very low33.6Very low172 Ų172140.2 Ų140.275%0.74876%0.761SS**SBendcis-126.7173.631.6-69154.4-170.8165.80112.2
736F36.9Very low33.8Very low208 Ų208137 Ų13791%0.91275%0.749SS**  trans69.463.5-174.2-60.1-81.8000115.2
737T30.9Very low34.1Very low109 Ų109140.6 Ų140.667%0.66975%0.747SS**  trans-64.8146.1152.243.10000111.5
738Q30Very low33.5Very low193 Ų193140.6 Ų140.690%0.90275%0.746SS**  trans64.4146.1163.3-61.3170.4-6.300117.2
739G32Very low33.6Very low73 Ų73137 Ų13775%0.75375%0.746SS**  cis126.7137.6-12.100000115
740S42.6Very low33.2Very low111 Ų111136 Ų13678%0.77675%0.745SS**  trans-163115.7169.850.20000106.8
741K29Very low33.4Very low178 Ų178131.5 Ų131.577%0.77474%0.738SS**  cis59.596.722.3-113.2-173.9-176.1-176.50111.9V743K741-V743 HydrophobicContact CB-CG2 4.11Å; K741-V743 HydrophobicContact CD-CG2 4.14Å; K741-V743 HydrophobicContact CG-CG2 4.03Å
742P35.2Very low33.5Very low123 Ų123133.6 Ų133.680%0.79974%0.738SS**  -81.4135101.326.1-33.5000109.5
743V33.9Very low33.5Very low96 Ų96133.7 Ų133.758%0.58273%0.734SS**  cis70.285.222.3-164.80000113.4K741K741-V743 HydrophobicContact CB-CG2 4.11Å; K741-V743 HydrophobicContact CD-CG2 4.14Å; K741-V743 HydrophobicContact CG-CG2 4.03Å
744A34.4Very low33.6Very low103 Ų103133.4 Ų133.485%0.85173%0.728SS**  trans-170.339.8151.400000108.1
745A25.8Very low33.5Very low84 Ų84135.8 Ų135.869%0.69473%0.73SS**  -47.9114.792.600000115.4
746D37.2Very low32.8Very low104 Ų104134 Ų13456%0.55673%0.733SS**  -149.5118.7124.8-109.113.3000108.5
747R35.1Very low32.6Very low197 Ų197129.2 Ų129.274%0.74372%0.724SS**  74.9103.796.6-71.2179.9-170.7131.8-3.6112.3
748T27.4Very low32.8Very low94 Ų94134.6 Ų134.658%0.57773%0.732SS**  51.5124.17769.30000115.1
749P34.3Very low32.9Very low120 Ų120131.6 Ų131.678%0.77972%0.721SS**  -93.1137.2113.332.3-30.7000109
750L26.8Very low32.9Very low138 Ų138134.5 Ų134.572%0.72372%0.718SS**  cis56.239-4.7-66.2-175.3000117.6K752L750-K752 VanDerWaalsContact C-N 3.34Å
751S37.1Very low32.3Very low102 Ų102135.3 Ų135.371%0.71371%0.709SS**  -77.694.7119.3520000106.7
752K34.7Very low32.4Very low156 Ų156132.2 Ų132.268%0.67870%0.696SS**  71.2112.192.2-72.6-171.3175.2-173.40111.2L750L750-K752 VanDerWaalsContact C-N 3.34Å
753Q31.8Very low32.4Very low155 Ų155135.3 Ų135.372%0.72470%0.697SS**  67126.3104.3-65.3172.5-77.600111.6
754E35.1Very low32.7Very low132 Ų132137.9 Ų137.962%0.61770%0.696SS**  cis-158.917027.8-136177.7111.200112
755R31.9Very low32.7Very low203 Ų203138.8 Ų138.877%0.76669%0.693SS**  trans62.3107.4157.6-64.9173-157.5-155.31.9119.4
756V27.8Very low33.1Very low134 Ų134139.6 Ų139.681%0.81269%0.686SS**  trans-38.5125.1131.1170.60000109.1
757P32.4Very low33.1Very low109 Ų109140.3 Ų140.371%0.70869%0.686SS**  -134.1140.185.736.4-23.5000116.6
758W33.9Very low33.3Very low222 Ų222137 Ų13784%0.84168%0.683SS**  trans23.7142.1136-92.8-46.5000122.9
759I32.5Very low33.5Very low130 Ų130136.8 Ų136.867%0.66768%0.681SS**  trans87.5110.4135.1-75.6167.8000118.8
760L32.3Very low33.3Very low133 Ų133140.8 Ų140.870%0.69669%0.687SS**  trans66.9113140.4-8754.4000121.5
761E30.1Very low33.7Very low128 Ų128142.7 Ų142.760%0.59869%0.692SS**  87.7152.3113.4-84.9-176.4138.500124
762K30Very low33.9Very low113 Ų113142.5 Ų142.549%0.49169%0.688SS.*  trans58.5117.5144.2-71158.9-175.7149.30117.5
763K36.1Very low33.5Very low189 Ų189141.7 Ų141.782%0.82270%0.696SS**  -143.4141.684.7-82.5121.3-166.3171.30108.6
764R40Very low33.2Very low149 Ų149138.2 Ų138.256%0.56269%0.694SS**  cis64.9137.649.3-66.6-158-179.2-176.10.6111.8D766 Q767R764-D766 WeakPolarHBondContact CD-O 3.35Å; R764-D766 PolarHBondContact NH1-O 2.88Å; R764-Q767 PolarHBondContact NH1-O 3.45Å
765P33.9Very low33Very low122 Ų122138 Ų13879%0.79270%0.701SS**SBend-97.3145.988.226.7-34.9000112.2
766D35.1Very low32.8Very low102 Ų102133.7 Ų133.755%0.54570%0.698SS.*  cis-136.9166.62.1-114.3-52.6000113.2R764R764-D766 WeakPolarHBondContact CD-O 3.35Å; R764-D766 PolarHBondContact NH1-O 2.88Å
767Q36.5Very low33.1Very low119 Ų119133.8 Ų133.856%0.55669%0.694SS**  trans28151.1146.2-67161.949.900121.5R764R764-Q767 PolarHBondContact NH1-O 3.45Å
768L40.4Very low33Very low127 Ų127136.6 Ų136.667%0.66570%0.698SS**  cis-152.2112.2-20.4-91.8156.1000103.5
769T31.4Very low32.9Very low89 Ų89132.6 Ų132.655%0.54669%0.688SS.*  74.5119.982.760.40000117.6
770F30.3Very low32.9Very low205 Ų205134.8 Ų134.890%0.89969%0.693SS**  trans79.8134.3152.9-58.9-58.3000122.9
771Q34.3Very low32.8Very low177 Ų177132.4 Ų132.483%0.82769%0.687SS**  trans-115.7-179.3162-128.6-174.16.700105.4
772P40.4Very low32.9Very low98 Ų98134.5 Ų134.564%0.63669%0.694SS**  cis-140.5-170.5-2.834.4-10.9000115.6
773V26.6Very low33.2Very low139 Ų139133.7 Ų133.784%0.84270%0.695SS**  trans60.7133.8165-120.30000116.9
774A26.8Very low33.1Very low83 Ų83132.2 Ų132.269%0.68669%0.691SS**  cis-173.7176.736.700000112.7
775V29.8Very low33.1Very low127 Ų127131.1 Ų131.177%0.7771%0.706SS**  trans68.388.8161.7-166.60000119.1
776T28.4Very low33.6Very low113 Ų113128.8 Ų128.869%0.69370%0.704SS**  43.3166.7126.666.60000124.8
777D34.9Very low34.1Very low136 Ų136127 Ų12773%0.72771%0.71SS**  trans82.178.8155.6-50.5-43.7000118.9
778E29.5Very low33.7Very low168 Ų168129.2 Ų129.279%0.78572%0.72SS**  35.4137.5119.2-73.7-161.6174.800121.9
779H31.7Very low33.8Very low137 Ų137129.8 Ų129.863%0.63472%0.719SS**  trans75136.9142.7-97.7-77.9000120
780F32.6Very low33.9Very low177 Ų177131.9 Ų131.978%0.77673%0.733SS**  trans57.4121.6159.8-66-57.4000116.3
781S30.7Very low34.4Very low83 Ų83125.7 Ų125.758%0.5873%0.727SS**  cis177-168.517.843.10000109.1
782K31Very low34.6Very low171 Ų171120.4 Ų120.474%0.74372%0.719SS**  trans77.5144.5150.9-69.1-179.3167.4-1520116.3
783D35.9Very low34.1Very low96 Ų96119.3 Ų119.351%0.51371%0.714SS.*  cis-151.2166.2-3.9-119.8-22.7000116.3
784H34.8Very low34.5Very low159 Ų159120.3 Ų120.374%0.73671%0.707SS**  trans26.3104147.8-54.5-30.1000119.5
785S40.6Very low35.2Very low125 Ų125122.5 Ų122.587%0.87470%0.701SS**  -162.5149.695.915.40000108.3
786G44Very low35.4Very low73 Ų73125.5 Ų125.575%0.75371%0.707SS**  cis112134.218.900000108.8
787G45.9Very low35.6Very low64 Ų64129 Ų12966%0.6672%0.716SS**  cis-102.2-1680.100000114.8
788Q28.4Very low35.5Very low167 Ų167125.4 Ų125.478%0.7869%0.694SS**  cis60.1135.628.6-72.3166.6-99.100112.3
789E42.6Very low35.5Very low138 Ų138122.3 Ų122.365%0.64569%0.689SS**  cis-133.6155.66.4-104.4129.4-153.800110.5
790T32.8Very low35.3Very low134 Ų134123.7 Ų123.782%0.82270%0.695SS**  43.4146.482.6102.80000115
791G40Very low35.2Very low75 Ų75120.6 Ų120.677%0.77370%0.696SS**  cis-171.6-167.30.800000108.1
792G39.2Very low35.3Very low65 Ų65123 Ų12367%0.6771%0.707SS**  cis-127.7-174.2-12.300000109.6
793S30.3Very low35.1Very low75 Ų75123.5 Ų123.552%0.52471%0.711SS.*  cis56.296.632.276.50000113.6E798S793-E798 VanDerWaalsContact C-OE1 3.28Å; S793-E798 WeakPolarHBondContact CA-OE1 3.49Å
794F34.5Very low35.5Very low161 Ų161123.5 Ų123.571%0.70672%0.716SS**  trans-166.693143.8-112.4-68.1000113.2E798F794-E798 WeakPolarHBondContact CA-OE1 3.27Å; F794-E798 PolarHBondContact N-OE1 2.88Å
795K42.1Very low35.2Very low128 Ų128123.5 Ų123.556%0.55772%0.721SS**  trans64.6132.7158.1-62.7173.7-1781760116.2E798K795-E798 HydrophobicContact CB-CB 4.45Å; K795-E798 WeakPolarHBondContact CE-O 3.43Å; K795-E798 HydrophobicContact CG-CB 3.49Å; K795-E798 VanDerWaalsContact CG-CB 3.49Å; K795-E798 WeakPolarHBondContact CG-O 3.21Å; K795-E798 PolarHBondContact N-OE1 3.5Å
796E33.2Very low34.8Very low191 Ų191126.2 Ų126.289%0.89372%0.72SS**SBendcis-130.7132.637.9177.1176.2-124.400111.8
797Q33.6Very low34.1Very low187 Ų187127.2 Ų127.287%0.87472%0.721SS**SBendcis-106.1108.7-5.5-71.7-175.2-14.900111.8
798E31.8Very low33.2Very low60 Ų60128.9 Ų128.928%0.2872%0.722SS.*  trans-94.9153.2152.5-96.6166.8-101.800107.6S793 F794 K795S793-E798 VanDerWaalsContact C-OE1 3.28Å; S793-E798 WeakPolarHBondContact CA-OE1 3.49Å; F794-E798 WeakPolarHBondContact CA-OE1 3.27Å; F794-E798 PolarHBondContact N-OE1 2.88Å; K795-E798 HydrophobicContact CB-CB 4.45Å; K795-E798 WeakPolarHBondContact CE-O 3.43Å; K795-E798 HydrophobicContact CG-CB 3.49Å; K795-E798 VanDerWaalsContact CG-CB 3.49Å; K795-E798 WeakPolarHBondContact CG-O 3.21Å; K795-E798 PolarHBondContact N-OE1 3.5Å
799P31.1Very low33.2Very low103 Ų103127.7 Ų127.767%0.66972%0.721SS**  cis-134.5175.147.639.8-23.5000116.3
800Q27Very low32.9Very low166 Ų166130.8 Ų130.878%0.77673%0.732SS**  trans-57.5151.6171.5-56.7163.5-18.600113
801S30.4Very low32.9Very low112 Ų112135.4 Ų135.478%0.78374%0.735SS**  166.4176.8109.751.50000112.9
802V33.2Very low32.4Very low133 Ų133140.2 Ų140.281%0.80674%0.737SS**  trans74.676.9167.8-161.80000117.6
803H27Very low32.9Very low181 Ų181141.9 Ų141.984%0.83874%0.736SS**  -62.3167.3128.7-87.2-55.4000110.5
804P42.6Very low32.8Very low96 Ų96143.5 Ų143.562%0.62375%0.747SS**  cis-139.1-161.1-26.938.1-18.1000112.2
805L29Very low32.5Very low159 Ų159143.8 Ų143.883%0.83275%0.75SS**  trans61.1114.4156.9-65.6168.2000119
806E31.4Very low31.8Very low183 Ų183143.2 Ų143.286%0.85576%0.758SS**  -171.2169.1101.4-106.9-174.8-168.800111.7
807A31.4Very low31.5Very low93 Ų93139.3 Ų139.377%0.76975%0.747SS**  trans29151.5149.400000122.1
808S26.5Very low31.6Very low99 Ų99139 Ų13969%0.69274%0.742SS**  cis-178.1156.3-15.8178.70000106.9
809L28.6Very low31.5Very low143 Ų143141.1 Ų141.175%0.74976%0.764SS**  trans-16126.1163.6-64.8141.2000117.6
810F35.1Very low31.7Very low203 Ų203139.2 Ų139.289%0.8976%0.763SS**  trans-160128.7135-97.9-62.2000112.1
811R33.9Very low31.7Very low231 Ų231136.3 Ų136.387%0.87276%0.761SS**  trans56.789.2171.1-62.5-176.9176.3-177.2-1.8114.3
812E28.8Very low31.7Very low175 Ų175135.9 Ų135.982%0.81877%0.765SS**  cis64.8138.532.5-111.6-97.214300112.4
813P49Very low31.5Very low101 Ų101135.7 Ų135.766%0.65676%0.764SS**  -129.3169.8-122.541.6-29.4000117
814S29.6Very low31.4Very low108 Ų108131.4 Ų131.476%0.75576%0.76SS**  trans-127.7109.9166.857.60000109.4
815H27Very low30.6Very low167 Ų167131.1 Ų131.177%0.77377%0.765SS**  74.6137.383-91.9-74.4000114.2
816V27.6Very low30.3Very low117 Ų117133 Ų13371%0.70977%0.767SS**  trans60.3119.4137.4169.70000116.4
817T27.3Very low30Very low108 Ų108134.9 Ų134.966%0.66377%0.767SS**  cis-167.5-179.21019.70000107.5
818K35Very low29.8Very low180 Ų180134.2 Ų134.278%0.78376%0.756SS**  cis-159.1172.523-135.6151.5-174.6175.50111.9
819S30.2Very low30.4Very low106 Ų106138 Ų13874%0.74176%0.763SS**  trans-28.4158.2157.557.90000117.4
820G34.9Very low30.2Very low62 Ų62141.3 Ų141.364%0.63977%0.767SS**  cis-172.7152.310.600000113.2
821S26.8Very low29.9Very low105 Ų105137 Ų13773%0.73476%0.762SS**  71102.786.871.30000111.9
822A30.4Very low29.6Very low104 Ų104130.6 Ų130.686%0.8676%0.759SS**  68.371.451.200000114.1
823T29Very low29.7Very low128 Ų128126 Ų12679%0.78575%0.746SS**  trans-147.5131.1151.929.30000105.2
824A25Very low28.7Very low91 Ų91129.9 Ų129.975%0.75276%0.755SS**  cis67.9152.548.600000112.5
825A25.8Very low28.7Very low90 Ų90129.3 Ų129.374%0.74474%0.743SS**  trans71.3117.1-152.700000111.9
826F23.7Very low28.9Very low198 Ų198130.4 Ų130.487%0.86875%0.746SS**  73139.372.1-93.1-75.9000114.5
827R24.7Very low28.9Very low224 Ų224132 Ų13285%0.84574%0.744SS**  trans57.9102.6157.8-83.5-177.8169.2163.8-2.9116.4
828S26.2Very low29.6Very low79 Ų79134.2 Ų134.255%0.55275%0.746SS**  103.4-175.888.473.20000110.9Y830S828-Y830 PolarHBondContact O-N 3.15Å
829Q39.6Very low29.2Very low177 Ų177135 Ų13583%0.82775%0.749SS**  trans51.360.3167-64169.31.300112.1
830Y25.5Very low29.2Very low213 Ų213134 Ų13484%0.83574%0.74SS**  46119.370.6-101.4-67000113.4S828S828-Y830 PolarHBondContact O-N 3.15Å
831S27.6Very low29Very low114 Ų114134.6 Ų134.680%0.79774%0.739SS**  trans74.9155.5155.275.90000119.4
832A28.1Very low28.9Very low96 Ų96138.5 Ų138.579%0.79375%0.746SS**  trans66.4137.8178.200000116.9
833S29.9Very low29.2Very low78 Ų78137 Ų13755%0.54572%0.721SS.*  cis-159.2140.8-17.243.30000111.9D835S833-D835 WeakPolarHBondContact CB-OD2 3.32Å; S833-D835 PolarHBondContact OG-OD2 2.9Å
834H27.7Very low29.5Very low183 Ų183134.5 Ų134.585%0.84771%0.714SS**  -106.5126.3116.9-88.8-70.8000105.3
835D31.2Very low30.1Very low96 Ų96135.6 Ų135.651%0.51370%0.702SS.*  cis6149.137.8-62.7-50.4000113.7S833S833-D835 WeakPolarHBondContact CB-OD2 3.32Å; S833-D835 PolarHBondContact OG-OD2 2.9Å
836F29.9Very low30.4Very low189 Ų189137.8 Ų137.883%0.82970%0.701SS**  -110.7121110.6-75.1-93.4000107.3
837K28.9Very low30.9Very low152 Ų152133.4 Ų133.466%0.66169%0.686SS**  57.413560.3-68.6-172.9161.1-161.90113.9
838E41.4Very low31.4Very low153 Ų153132 Ų13272%0.71568%0.681SS**  trans56.3108.7143-66171.4105.800118.8
839K26.4Very low31.8Very low196 Ų196134 Ų13485%0.85269%0.685SS**  trans-39.1127.3136.2-56165.9-178171.50107.8
840P31.5Very low31.5Very low85 Ų85133.9 Ų133.955%0.55269%0.688SS**  -120.7128.667.74.316.6000111.9K993P840-K993 PolarHBondContact O-NZ 3.42Å
841A28.9Very low31.7Very low75 Ų75125.9 Ų125.962%0.6266%0.664SS**  66.5126.158.200000113.7
842Q25.8Very low31.9Very low187 Ų187124.5 Ų124.587%0.87465%0.647SS**  trans63.9162.9167.3-65-173.2-20.100118.7
843E36.5Very low32.5Very low73 Ų73122.7 Ų122.734%0.34163%0.627SS.*  trans68.4130.8171.7-60-113.5117.300115.6K845 L995 R996 N997E843-K845 WeakPolarHBondContact OE1-CE 3.41Å; E843-K845 IonicContact OE1-NZ 2.76Å; E843-K845 PolarHBondContact OE1-NZ 3.27Å; E843-K845 VanDerWaalsContact OE1-NZ 3.08Å; E843-L995 HydrophobicContact CG-CD2 4.31Å; E843-L995 WeakPolarHBondContact OE2-CD2 3.44Å; E843-R996 PolarHBondContact OE2-N 3.08Å; E843-N997 PolarHBondContact OE1-ND2 2.89Å; E843-N997 PolarHBondContact OE2-ND2 3.45Å
844A35.3Very low32.7Very low76 Ų76123.3 Ų123.363%0.62864%0.637SS**  cis-153.7125-2.600000114.9
845K37.4Very low32.8Very low113 Ų113124.7 Ų124.749%0.49164%0.635SS.*  53.5120.1116.6-58.1-179.1-170.5176.40119.4E843 N997E843-K845 WeakPolarHBondContact OE1-CE 3.41Å; E843-K845 IonicContact OE1-NZ 2.76Å; E843-K845 PolarHBondContact OE1-NZ 3.27Å; E843-K845 VanDerWaalsContact OE1-NZ 3.08Å; K845-N997 PolarHBondContact NZ-ND2 3.3Å; K845-N997 PolarHBondContact NZ-OD1 3.21Å
846N32.6Very low32.9Very low136 Ų136126.1 Ų126.173%0.72764%0.638SS**  76.7159.9116.2-64.611.7000118.8
847L34.2Very low32.9Very low106 Ų106125.5 Ų125.556%0.55564%0.642SS**  cis-150.3169.63.7-132.5159000110.2D849L847-D849 WeakPolarHBondContact CD2-OD2 3.3Å
848R34.9Very low32.9Very low196 Ų196123 Ų12374%0.7464%0.639SS**  trans87.675.2174-54.6-168.1174.6-171.4-3.6113.1
849D35.4Very low32.3Very low120 Ų120124.3 Ų124.364%0.64265%0.648SS**  73.113972-49.5-31.3000110.5L847L847-D849 WeakPolarHBondContact CD2-OD2 3.3Å
850I32.4Very low32.5Very low175 Ų175123 Ų12390%0.89765%0.647SS**  cis-126.8160.825.7-64.1166.2000111.1
851S29.7Very low32.5Very low45 Ų45131 Ų13132%0.31567%0.666SS.*  trans-151.1114.6-15665.30000117.3P1011S851-P1011 VanDerWaalsContact CA-CD 3.47Å
852L31.6Very low32.7Very low85 Ų85136.8 Ų136.845%0.44568%0.677SS.*  trans53.7-162.3146.8-79.1132.5000115.4F1009 A1010 P1011 L1012L852-F1009 CarbonylContact C-O 3.22Å; L852-F1009 VanDerWaalsContact C-O 3.22Å; L852-F1009 VanDerWaalsContact CB-O 3.32Å; L852-F1009 WeakPolarHBondContact CB-O 3.21Å; L852-A1010 HydrophobicContact CD1-CB 4.41Å; L852-P1011 VanDerWaalsContact CB-CA 3.42Å; L852-P1011 HydrophobicContact CB-CB 3.94Å; L852-P1011 HydrophobicContact CB-CG 3.63Å; L852-P1011 HydrophobicContact CD1-CB 2.29Å; L852-P1011 HydrophobicContact CD1-CG 2.28Å; L852-P1011 WeakPolarHBondContact CD1-O 3.49Å; L852-P1011 HydrophobicContact CD2-CB 2.82Å; L852-P1011 HydrophobicContact CD2-CG 3.62Å; L852-P1011 HydrophobicContact CG-CB 2.3Å; L852-P1011 HydrophobicContact CG-CG 2.32Å; L852-L1012 HydrophobicContact CD1-CB 4.47Å; L852-L1012 HydrophobicContact CD1-CG 3.95Å
853P41.2Very low33.3Very low57 Ų57133.1 Ų133.137%0.3767%0.669SS.*  cis-123-173.6-13.148-33000112.9P1008 F1009P853-P1008 VanDerWaalsContact CD-CB 3.45Å; P853-P1008 HydrophobicContact CG-CB 3.77Å; P853-P1008 HydrophobicContact CG-CG 4.37Å; P853-F1009 VanDerWaalsContact CB-O 3.24Å; P853-F1009 WeakPolarHBondContact CB-O 3.24Å; P853-F1009 WeakPolarHBondContact CD-O 3.49Å; P853-F1009 HydrophobicContact CG-CB 4.42Å; P853-F1009 WeakPolarHBondContact CG-O 3.47Å
854A34.4Very low32.8Very low92 Ų92138.4 Ų138.476%0.7669%0.691SS**  cis-145.3160.77.200000112
855R29.1Very low32.6Very low212 Ų212140.9 Ų140.980%0.869%0.693SS**  trans-133.2153.3162.6-145.6179.1-172.7-157.17.1108.3
856Q33.8Very low32.3Very low126 Ų126145.8 Ų145.859%0.58971%0.709SS**  trans52.9122.3165.7-70.3149.2-88.400119.2
857I30.8Very low32.1Very low175 Ų175145.1 Ų145.190%0.89771%0.705SS**  -125.2119.6106.1-64.9-172.6000108.3
858T27.9Very low31.9Very low99 Ų99148.5 Ų148.561%0.60772%0.716SS**  trans-108.8133.916743.40000108.9
859M29.2Very low31.7Very low182 Ų182146.7 Ų146.790%0.89772%0.716SS**  trans-170.7105.8149.7-104.2165.8-165.800108.8
860M29.6Very low31.3Very low169 Ų169148 Ų14883%0.83372%0.721SS**  82.880.379.1-75.3-75.8-83.100114.4
861R33Very low31.1Very low252 Ų252146.4 Ų146.495%0.95171%0.714SS**  trans-135.3120.3144.4-80.5-167.2175.1-176.5-1.3110.7
862K31.5Very low31Very low197 Ų197153.8 Ų153.886%0.85774%0.735SS**  trans-129168.6157.7-69.1-176.7178.9178.60105.4
863P38.6Very low31.1Very low109 Ų109156.9 Ų156.971%0.70875%0.747SS**  cis-126.7-170.5-1.439.6-22.3000113.2
864K27.6Very low30.6Very low184 Ų184164.2 Ų164.280%0.877%0.774SS**  trans46.5134.5141.2-78.4-177.1176.3-175.80119.8
865L30.7Very low30.4Very low129 Ų129164.4 Ų164.468%0.67577%0.767SS**  cis-158.5152.49.9-86.2139.4000111.4
866W30Very low30.3Very low216 Ų216159.2 Ų159.282%0.81876%0.763SS**  trans69.8142.9143.6-71.316.1000122.7
867N28.2Very low30.2Very low121 Ų121161.1 Ų161.165%0.64777%0.77SS**  trans60.7147.3166.4-51.3-7.6000116.3
868F31Very low30.5Very low178 Ų178161.4 Ų161.478%0.78176%0.764SS**  cis-123.1154.9-0.4-68-101.9000107.7
869E30.8Very low30.8Very low158 Ų158159.9 Ų159.974%0.73876%0.762SS**  cis68.8107.145.3-166.5160-132.500114.8
870L27.6Very low31Very low146 Ų146159.7 Ų159.776%0.76476%0.758SS**  trans38.698.2156.8-66.1166.7000118.9
871L26.2Very low31Very low143 Ų143161.1 Ų161.175%0.74976%0.756SS**  171.4146.7106.3-91.5162.9000114.3
872R28.2Very low31.1Very low199 Ų199152.4 Ų152.475%0.75174%0.744SS**  trans66.5161.9150.9-69.1171.4-170-171.83.5120.1
873E33.9Very low31.2Very low150 Ų150152.1 Ų152.170%0.70174%0.744SS**  trans57.271.3150.8-72.8155.5-117.500119.9
874K29.9Very low30.7Very low212 Ų212149.2 Ų149.292%0.92273%0.726SS**  -130.585.9120.1-80.2-155.6175.1-177.50113.4
875P30.1Very low31Very low96 Ų96147.3 Ų147.362%0.62371%0.714SS**  trans-67.8145144.932.6-34.6000110.9
876S27.4Very low30.9Very low102 Ų102144 Ų14471%0.71371%0.711SS**  trans69.3160.6142.176.20000122.5
877F32.1Very low31Very low167 Ų167141.7 Ų141.773%0.73271%0.713SS**  trans76.6106.6163.3-86-82.3000121.8
878K36.9Very low31.2Very low181 Ų181144.2 Ų144.279%0.78772%0.721SS**  trans69.2135154.3-69158.2179.2176.60117.5
879A33.7Very low31.7Very low67 Ų67140.7 Ų140.755%0.55472%0.716SS**SBendcis-159158-17.700000106.8
880H33.5Very low31.8Very low178 Ų178140.7 Ų140.782%0.82471%0.713SS**  cis-127152.914.1-65.6-113.6000109.3
881Y30.8Very low32.1Very low198 Ų198140.1 Ų140.178%0.77671%0.707SS**  cis67.4111.439.8-84.8-69.7000115.7
882G34.5Very low32.1Very low69 Ų69141.7 Ų141.771%0.71171%0.708SS**  trans120.166.7179.800000111.9
883F33.4Very low32.6Very low191 Ų191136.3 Ų136.384%0.83870%0.701SS**  62.7138.376.1-102.5-98.8000116
884S28.5Very low32.6Very low49 Ų49135.8 Ų135.834%0.34370%0.698SS.*  trans-35.9165.3163.664.30000116T361T361-S884 WeakPolarHBondContact O-CB 3.4Å; T361-S884 WeakPolarHBondContact OG1-CB 3.22Å
885R33.2Very low32.8Very low144 Ų144131.5 Ų131.554%0.54369%0.686SS.*  cis-154.1159.225.5-162.1-174.1-75.3-174.3-9.9108.6P358 G359 G360P358-R885 PolarHBondContact O-NH1 2.94Å; G359-R885 VanDerWaalsContact C-CZ 3.48Å; G359-R885 VanDerWaalsContact C-NH2 3.33Å; G359-R885 PolarHBondContact O-NE 2.99Å; G359-R885 PolarHBondContact O-NH1 2.83Å; G359-R885 PolarHBondContact O-NH2 2.9Å; G359-R885 VanDerWaalsContact O-NH2 3.15Å; G360-R885 VanDerWaalsContact O-CZ 3.25Å; G360-R885 PolarHBondContact O-NE 2.98Å; G360-R885 PolarHBondContact O-NH2 2.82Å
886G29.1Very low32.9Very low60 Ų60135.2 Ų135.262%0.61970%0.695SS**  trans-77.5145.7168.200000111.8
887I32.6Very low33.2Very low166 Ų166137.2 Ų137.285%0.85170%0.697SS**  trans-178.3140143.9-93.2153.3000106.7
888E32.8Very low33.6Very low174 Ų174134.6 Ų134.681%0.81370%0.7SS**  trans-92.5-161.1178.6-39.2170.8120.300109.5
889P39.7Very low33.6Very low104 Ų104136.7 Ų136.768%0.67570%0.703SS**  cis-125.8-163.9-26.231.5-10.8000111.1
890K32.8Very low33.8Very low159 Ų159140.6 Ų140.669%0.69171%0.709SS**  trans67.2150164.6-65.5177.8160.6-80.20116.7
891E34.2Very low34Very low133 Ų133140.6 Ų140.662%0.62171%0.707SS**  cis-152.6-173.2-18.2-117.6155.8-173.100109.1
892F27.6Very low34.2Very low176 Ų176139 Ų13977%0.77271%0.71SS**  trans-36.8153.2177.6-57.3-89.7000116.1
893S37.5Very low34.2Very low87 Ų87139.9 Ų139.961%0.60871%0.706SS**  cis-128.2149.631.546.20000114.8
894Q33.4Very low34.5Very low139 Ų139136.7 Ų136.765%0.6570%0.702SS**  75.4140.960.5-117.2-164.5-70.200114.6
895D35.5Very low34.8Very low122 Ų122145.6 Ų145.665%0.65273%0.728SS**  trans64.8156.2158.7-56.3-2.9000121.5
896E32.2Very low35Very low174 Ų174147.4 Ų147.481%0.81374%0.743SS**  cis-160.3-156.7-48.7-135.9-177.4-15600111.1
897D34.1Very low35.3Very low144 Ų144152.9 Ų152.977%0.7775%0.752SS**  trans-58122.5-176.3-89.6-44.4000116.7
898S39Very low35.5Very low112 Ų112149.9 Ų149.978%0.78374%0.741SS**  trans-177.3120.1134.932.90000108.8
899R36.5Very low35.4Very low225 Ų225150.2 Ų150.285%0.84974%0.741SS**  57.9108.364.3-71.5-164.9174.8-167.21.3114.7
900E39Very low35.2Very low148 Ų148149.6 Ų149.669%0.69274%0.739SS**  trans70.9135.4165.3-58.8-171.6-159.600116
901K36.6Very low35.2Very low179 Ų179151.7 Ų151.778%0.77875%0.748SS**  cis-148.91614.7-109.3148.1178.1148.10110.9
902I35.4Very low35.6Very low164 Ų164150.4 Ų150.484%0.84175%0.751SS**  trans-93138.3173.3-66.7172.4000107.7
903S34.5Very low35.9Very low88 Ų88147.3 Ų147.362%0.61575%0.751SS**  cis-163.3-174.7-5.556.70000112
904T39.7Very low35.6Very low124 Ų124148 Ų14876%0.76176%0.756SS**  trans69.683.7149.640.80000120.2
905R35.2Very low35.3Very low235 Ų235152.2 Ų152.289%0.88777%0.768SS**  50.289.6116.3-163.6-165-163.1-165.96.8118.4
906Q38.4Very low35.3Very low183 Ų183152.1 Ų152.186%0.85577%0.773SS**  -160.1160.4107.4-110.9174.9-1400112.3
907Q35.7Very low35.1Very low175 Ų175147.1 Ų147.182%0.81877%0.769SS**  trans-87.1166.4-179.8-59.9151.4-73.500109.3
908T35Very low34.9Very low102 Ų102147.5 Ų147.563%0.62677%0.771SS**  cis-160.8170.720.3-24.90000111.9
909F31.9Very low34.6Very low182 Ų182148.3 Ų148.380%0.79877%0.765SS**  trans71.679.1157.5-61.9-57.7000122.1
910S34.7Very low34.5Very low90 Ų90145.9 Ų145.963%0.62976%0.757SS**  49.5111114.461.60000123.8
911K32.6Very low34.5Very low203 Ų203148 Ų14888%0.88376%0.759SS**  59.2156.4121.5-68-177.3179.5-178.70121.2
912P42.4Very low34.4Very low107 Ų107146 Ų14670%0.69575%0.752SS**  cis-131.5172.6-21.738.2-21.8000114.8
913S33.9Very low34.6Very low110 Ų110142.6 Ų142.677%0.76973%0.732SS**  trans59.3144.6164.647.70000119.2
914S31.8Very low34.4Very low102 Ų102150 Ų15071%0.71375%0.749SS**  cis-166.2150.7-16.544.40000110.6
915Y27.8Very low34Very low228 Ų228150 Ų15089%0.89474%0.738SS**  trans66.3170.4166.7-95-63.4000115.9
916P35.6Very low33.8Very low119 Ų119144.6 Ų144.677%0.77373%0.734SS**  -122-180-114.145.6-33.9000115.5
917G27.9Very low33.5Very low69 Ų69140.4 Ų140.471%0.71172%0.72SS**  trans100.7157.7175.100000111.7
918D28.9Very low33.5Very low153 Ų153137.9 Ų137.982%0.81872%0.717SS**  cis174.4178.6-14.7-141.4-34.8000104.1
919I33.1Very low33.4Very low128 Ų128139.1 Ų139.166%0.65673%0.725SS**  trans61.9149.9164.2-0.5173.3000120.5
920Y34.9Very low33.5Very low175 Ų175136 Ų13669%0.68672%0.722SS**  trans64.3100.4167-63.6-65.3000117.6
921R38Very low33.7Very low193 Ų193141 Ų14173%0.72874%0.736SS**  87.5126.577.2-87-154.1-177.4155.83.1111.9
922Q35.6Very low33.6Very low137 Ų137136.3 Ų136.364%0.6472%0.724SS**  56.5124.884.6-72176.1-2900111.1
923E38.4Very low33.2Very low91 Ų91139.8 Ų139.843%0.42573%0.729SS.*  cis-167.6153.726.6-116.7147.7-15500114.1K925E923-K925 HydrophobicContact CB-CB 4.49Å; E923-K925 VanDerWaalsContact CD-CE 3.41Å; E923-K925 VanDerWaalsContact CD-CG 3.47Å; E923-K925 HydrophobicContact CG-CB 4.03Å; E923-K925 HydrophobicContact CG-CD 4.41Å; E923-K925 HydrophobicContact CG-CG 3.83Å; E923-K925 WeakPolarHBondContact OE1-CE 3.31Å; E923-K925 IonicContact OE1-NZ 2.69Å; E923-K925 PolarHBondContact OE1-NZ 3.01Å; E923-K925 WeakPolarHBondContact OE2-CD 3.06Å; E923-K925 VanDerWaalsContact OE2-CE 3.28Å; E923-K925 WeakPolarHBondContact OE2-CE 3.37Å; E923-K925 IonicContact OE2-NZ 3.58Å; E923-K925 PolarHBondContact OE2-NZ 3.22Å
924Y31.6Very low33.2Very low245 Ų245142.2 Ų142.296%0.96173%0.732SS**SBend-116.296.8128.3-101.3-93.3000107.5
925K30.9Very low33.3Very low124 Ų124146.1 Ų146.154%0.53974%0.739SS.*  trans-70.5156.4171.4-118.1178.3-162.3124.30109E923 V927E923-K925 HydrophobicContact CB-CB 4.49Å; E923-K925 VanDerWaalsContact CD-CE 3.41Å; E923-K925 VanDerWaalsContact CD-CG 3.47Å; E923-K925 HydrophobicContact CG-CB 4.03Å; E923-K925 HydrophobicContact CG-CD 4.41Å; E923-K925 HydrophobicContact CG-CG 3.83Å; E923-K925 WeakPolarHBondContact OE1-CE 3.31Å; E923-K925 IonicContact OE1-NZ 2.69Å; E923-K925 PolarHBondContact OE1-NZ 3.01Å; E923-K925 WeakPolarHBondContact OE2-CD 3.06Å; E923-K925 VanDerWaalsContact OE2-CE 3.28Å; E923-K925 WeakPolarHBondContact OE2-CE 3.37Å; E923-K925 IonicContact OE2-NZ 3.58Å; E923-K925 PolarHBondContact OE2-NZ 3.22Å; K925-V927 HydrophobicContact CD-CG2 4.33Å
926P30.8Very low33.6Very low121 Ų121141 Ų14179%0.78673%0.734SS**  -135170.855.239.4-23.8000114.2
927V31.7Very low33.8Very low95 Ų95141.4 Ų141.458%0.57673%0.729SS**  cis-169.9139.4-16.91370000105K925K925-V927 HydrophobicContact CD-CG2 4.33Å
928T35Very low34.4Very low121 Ų121141.9 Ų141.974%0.74271%0.713SS**  trans58.2150.8171.852.50000118.2
929T33.5Very low34.6Very low129 Ų129143.1 Ų143.179%0.79171%0.706SS**  cis-155.3163.8-19.612.40000108.9
930P34Very low34.8Very low115 Ų115146.1 Ų146.175%0.74771%0.709SS**  trans-111.5166.9-170.441.1-33.7000115.5
931Q39.8Very low34.8Very low195 Ų195145 Ų14591%0.91172%0.715SS**  trans-163.9169.5143.1-114167.84.100114
932T29Very low34.5Very low106 Ų106147.5 Ų147.565%0.6573%0.725SS**  trans-112.3167.3-163.143.60000114.4
933F34.9Very low34.5Very low180 Ų180147.3 Ų147.379%0.78973%0.733SS**  170.8123.8114.2-91.9-65.7000116
934L35Very low34.3Very low161 Ų161148.3 Ų148.384%0.84375%0.745SS**  trans63.8163.9143.4-77.3166.5000124.8
935Q32.9Very low34.4Very low184 Ų184144.1 Ų144.186%0.8673%0.733SS**  trans-104.9162.2-171.7-58.3171.6-1600112.7
936P33.8Very low34.5Very low121 Ų121138.7 Ų138.779%0.78671%0.711SS**  trans-122.2126.7169.636.6-23.4000115.1
937L40.9Very low34.7Very low127 Ų127133.1 Ų133.167%0.66568%0.676SS**  trans-143.3100.6156.1-89.4179.9000112.9
938Q38.9Very low34.5Very low78 Ų78130.8 Ų130.836%0.36467%0.666SS.*  trans77150.9143.4-41.7-163.4-90.100120.2R569 I570R569-Q938 PolarHBondContact O-NE2 3.15Å; R569-Q938 PolarHBondContact O-OE1 2.84Å; I570-Q938 HydrophobicContact CD1-CB 4.36Å; I570-Q938 HydrophobicContact CG1-CB 4.41Å
939W33.8Very low34.4Very low179 Ų179130.3 Ų130.368%0.67867%0.665SS**  trans-158.1147.2-174-81.582000104
940R37.2Very low34.1Very low191 Ų191130 Ų13072%0.72166%0.663SS**  cis-139.2168.99.4-63.7-162158.7166.2-7.5111.8
941D34.3Very low33.9Very low153 Ų153135.2 Ų135.282%0.81867%0.669SS**  trans-83.4172-169.1-47.1-87.9000116.7
942R33.3Very low33.3Very low245 Ų245130.6 Ų130.693%0.92566%0.664SS**  trans-109.5105.3148.7-81.9-174.9169.6-160.8-0.5110.2
943V34.3Very low33.4Very low133 Ų133130.2 Ų130.281%0.80667%0.666SS**  trans-145.8121.6134-179.30000108
944V33.6Very low33.1Very low112 Ų112129.6 Ų129.668%0.67966%0.659SS**  trans-113.6111.8158.9176.90000106.6P617P617-V944 HydrophobicContact CG-CG1 3.88Å
945H35.2Very low33.1Very low156 Ų156130 Ų13072%0.72266%0.662SS**  trans-155.394.7151.2-106.173.8000109.1
946S33.1Very low33.1Very low11 Ų11124.4 Ų124.48%0.07765%0.654CS.*  64.9147.3126.8-43.80000123.6G235 S236 A616 P617 S618G235-S946 CarbonylContact O-C 3.16Å; G235-S946 WeakPolarHBondContact O-CA 3.38Å; G235-S946 WeakPolarHBondContact O-CB 3.35Å; S236-S946 VanDerWaalsContact CA-C 3.42Å; S236-S946 VanDerWaalsContact CA-O 3.25Å; S236-S946 WeakPolarHBondContact CA-O 3.2Å; S236-S946 WeakPolarHBondContact CB-O 3.13Å; A616-S946 WeakPolarHBondContact CB-O 3.36Å; P617-S946 CarbonylContact O-C 3.08Å; P617-S946 WeakPolarHBondContact O-CA 3.29Å; P617-S946 WeakPolarHBondContact O-CB 3.28Å; P617-S946 PolarHBondContact O-OG 3Å; S618-S946 WeakPolarHBondContact OG-CB 3.22Å; S618-S946 PolarHBondContact OG-OG 3.18Å
947G33.9Very low33Very low4 Ų4127.8 Ų127.84%0.04166%0.659CS.*  trans-140.8-117.1-141.900000121.7G235 S236 A616 P617G235-G947 VanDerWaalsContact C-C 3.44Å; G235-G947 CarbonylContact C-O 3.3Å; G235-G947 VanDerWaalsContact CA-O 3.23Å; G235-G947 WeakPolarHBondContact CA-O 3.5Å; G235-G947 PolarHBondContact O-N 3.27Å; S236-G947 WeakPolarHBondContact CA-O 3.48Å; S236-G947 WeakPolarHBondContact CB-O 3.03Å; S236-G947 PolarHBondContact N-O 2.91Å; S236-G947 PolarHBondContact OG-O 3.34Å; A616-G947 VanDerWaalsContact C-CA 3.46Å; A616-G947 VanDerWaalsContact O-CA 3.23Å; A616-G947 WeakPolarHBondContact O-CA 3.42Å; P617-G947 PolarHBondContact O-N 3.4Å
948A28.8Very low32.7Very low46 Ų46126.2 Ų126.238%0.3866%0.658SS.*  trans52.3156.1-178.600000122S234 G235S234-A948 WeakPolarHBondContact O-CB 3.32Å; G235-A948 VanDerWaalsContact N-CB 3.32Å; G235-A948 VanDerWaalsContact N-N 3.14Å
949P31.5Very low32.4Very low111 Ų111128 Ų12872%0.72167%0.674SS**  trans-85.6145.3-17233.7-36.8000115.9
950V28.8Very low32Very low122 Ų122123.2 Ų123.274%0.73967%0.668SS**  trans73.490.6134.5179.80000117.9
951Y28.8Very low31.5Very low224 Ų224121.4 Ų121.488%0.87867%0.671SS**  trans65.3162.9149.3-69.8-60.6000120.6
952A27.5Very low31.3Very low98 Ų98121.1 Ų121.181%0.8167%0.67SS**  trans68.9134.2174.500000116.8
953S30.3Very low31.4Very low98 Ų98117.5 Ų117.569%0.68566%0.663SS**  cis-161.3148.8-16.474.50000112.9
954R30.2Very low31.4Very low168 Ų168117.7 Ų117.763%0.63466%0.655SS**  58.7119.7118-173.5-164.1-148.7-175.74.1119.7
955N33.4Very low31.4Very low169 Ų169120.6 Ų120.690%0.90466%0.662SS**SBendtrans-171.4128.4137.4-95-21.4000108.7
956G33.5Very low31.3Very low67 Ų67116.3 Ų116.369%0.69166%0.66SS**SBendcis-116.6173.4-38.900000107.3
957E32.4Very low31.5Very low192 Ų192123.1 Ų123.190%0.89769%0.694SS**  cis-143167.426.8-67.9167.5131.700108.3
958S33.6Very low31.6Very low93 Ų93132.1 Ų132.165%0.6573%0.727SS**  cis-153166.2-9.8380000109.9
959V32.8Very low32Very low116 Ų116137.3 Ų137.370%0.70374%0.741SS**  trans14.8117.7147.1-175.30000117.5
960S26.4Very low32.3Very low79 Ų79138.8 Ų138.855%0.55274%0.738SS**  cis77.8100.738.984.70000117.5
961I26.5Very low32.5Very low152 Ų152137 Ų13778%0.77974%0.736SS**  trans75140156-60.3175.5000117
962D29.9Very low32.6Very low148 Ų148137.9 Ų137.979%0.79174%0.738SS**  trans47.893168.3-63.4-13.9000119.7
963Q35.1Very low32.8Very low169 Ų169139.2 Ų139.279%0.7974%0.737SS**  -161138.6108.7-105.3-174.321.800113.8
964Q34.1Very low32.6Very low137 Ų137142.6 Ų142.664%0.6475%0.747SS**  trans59.2142.3144.4-63.6-174.917.300122.3
965Q33.7Very low32.8Very low173 Ų173139.8 Ų139.881%0.80875%0.75SS**  trans42.4102.8138.8-58.2172.130.400117.1
966G33.5Very low32.7Very low66 Ų66137.9 Ų137.968%0.6874%0.744SS**  cis107.5166.613.300000111.9
967L37.5Very low32.6Very low154 Ų154142 Ų14281%0.80675%0.751SS**  trans65.4138.7-170.5-43.9173.6000113.1
968R35.7Very low32.7Very low192 Ų192143.2 Ų143.273%0.72575%0.747SS**  cis-178.3141.2-10.9-116173.5-177.4172.52.7104.7
969K37.1Very low32.6Very low155 Ų155145.8 Ų145.867%0.67475%0.749SS**  trans63160.9148.4-64.3165.7165.7-97.10116
970E38.6Very low32.6Very low142 Ų142147.8 Ų147.866%0.66475%0.752SS**  cis-144.5121.7-15.2-115.1141.7-16000104.9
971A31.7Very low32.8Very low85 Ų85149.2 Ų149.270%0.70276%0.757SS**  80.4141.882.900000113.9
972R32.1Very low33.1Very low243 Ų243149.8 Ų149.892%0.91776%0.757SS**  trans79.9121.3-171.4-56.9179-178.2-165.3-0.5113.9
973T31Very low33Very low126 Ų126147.4 Ų147.477%0.77375%0.752SS**  cis-152.4123.7-6.829.10000109.7
974D26Very low32.7Very low169 Ų169146 Ų14690%0.90475%0.749SS**  trans-162.1106153.2-133.8-9.7000112.7
975P33.7Very low32.5Very low108 Ų108148.4 Ų148.470%0.70176%0.758SS**  trans-133.7150.5162.640.4-27.2000111.4
976V32.9Very low32.1Very low129 Ų129146.4 Ų146.478%0.78275%0.752SS**  cis-139.714323.9171.40000110.5
977N30.6Very low31.7Very low154 Ų154150.2 Ų150.282%0.82475%0.752SS**  trans-84.8118.9172.1-163.7-1.4000111
978R34.2Very low31.1Very low218 Ų218151.4 Ų151.482%0.82375%0.751SS**  trans169.8155.6160.1-96.4150.8-175.8-166.42.7110.5
979Q30.8Very low30.9Very low146 Ų146151.1 Ų151.168%0.68276%0.76SS**  cis175.7152.3-23.3-164.9-175.6-13.500105.6
980M33.5Very low30.3Very low159 Ų159146.9 Ų146.978%0.78375%0.754SS**  trans68.6162.9167.9-46.3-157.4-56.300115.4
981V31.1Very low30Very low108 Ų108146.8 Ų146.866%0.65576%0.763SS**  cis-162.8153.9-19.7126.40000109.4
982E33.2Very low30Very low164 Ų164149.2 Ų149.277%0.76677%0.769SS**  trans42.7127.7155.2-70.2163.5-178.800124.8
983S27.3Very low29.9Very low99 Ų99143.8 Ų143.869%0.69275%0.752SS**  85.8134.3123.176.40000123.3
984D28.4Very low30.4Very low138 Ų138142.3 Ų142.374%0.73875%0.745SS**  33.8101.4129.4-58.11.1000120.2
985K30.3Very low30.6Very low188 Ų188139.8 Ų139.882%0.81773%0.731SS**  -175.4141.998.3-96.2147.2-168.4158.50115.2
986L25.6Very low30.6Very low131 Ų131144.1 Ų144.169%0.68673%0.733SS**  trans40.1114.4137.2-57.3173.1000120.8
987H25.3Very low30.6Very low146 Ų146141.7 Ų141.768%0.67672%0.716SS**  94.5147.8119.6-75.8-17000122.7
988F24.3Very low30.8Very low180 Ų180140.3 Ų140.379%0.78971%0.713SS**  trans50.2103.8162.1-58.9-58.8000120.1
989M31.3Very low30.7Very low186 Ų186136 Ų13692%0.91671%0.705SS**  159.9152.5113.2-84.7179.373.100109.2
990A25.6Very low30.7Very low66 Ų66138.5 Ų138.555%0.54572%0.717SS.*  cis-167.9166.5-26.800000107.6
991T30.8Very low30.6Very low139 Ų139135.6 Ų135.685%0.85371%0.708SS**  trans69.3157.9168.982.90000115.8
992V32.9Very low30.7Very low137 Ų137135.6 Ų135.683%0.8371%0.712SS**  cis-145.2174.2-6.698.70000113.3
993K29.2Very low30.8Very low129 Ų129134.1 Ų134.156%0.56171%0.71SS**  trans-62.7170.6-172.7-87.1-174.3172.4-170.90118.5P840P840-K993 PolarHBondContact O-NZ 3.42Å
994P41Very low31Very low95 Ų95133.9 Ų133.962%0.61771%0.714SS**  trans-97.1-169.7-176.642.4-39000112.8
995L29.9Very low31.2Very low116 Ų116136.8 Ų136.861%0.60772%0.72SS**  trans-178.2154.3139.7-103.2147.9000114.8E843E843-L995 HydrophobicContact CG-CD2 4.31Å; E843-L995 WeakPolarHBondContact OE2-CD2 3.44Å
996R34.6Very low31.4Very low199 Ų199133.1 Ų133.175%0.75171%0.713SS**  trans74.8130.2156.4-67.5160.5-169.1-175.52.7117.3E843E843-R996 PolarHBondContact OE2-N 3.08Å
997N33Very low31.6Very low78 Ų78133.1 Ų133.142%0.41771%0.711SS.*  cis65.8145.341.5-44.3-53.2000111.3E843 K845E843-N997 PolarHBondContact OE1-ND2 2.89Å; E843-N997 PolarHBondContact OE2-ND2 3.45Å; K845-N997 PolarHBondContact NZ-ND2 3.3Å; K845-N997 PolarHBondContact NZ-OD1 3.21Å
998V34.9Very low31.9Very low125 Ų125130.8 Ų130.876%0.75871%0.709SS**  cis-150.2130.831.11620000106.4
999L30.9Very low32.2Very low128 Ų128129 Ų12967%0.6770%0.702SS**  70.888.571.7-96.5170.4000115.9V1001L999-V1001 HydrophobicContact CB-CG2 3.91Å; L999-V1001 HydrophobicContact CD2-CG2 3.72Å; L999-V1001 HydrophobicContact CG-CG2 4.34Å; L999-V1001 WeakPolarHBondContact O-CG2 3.09Å
1000E32.3Very low32.2Very low197 Ų197122.6 Ų122.692%0.92168%0.678SS**  trans-100.6123.1132.7-67.7-174.2141.900105.7
1001V31Very low32.8Very low98 Ų98123 Ų12359%0.59468%0.675SS**  cis83.483.819.2-165.30000115L999L999-V1001 HydrophobicContact CB-CG2 3.91Å; L999-V1001 HydrophobicContact CD2-CG2 3.72Å; L999-V1001 HydrophobicContact CG-CG2 4.34Å; L999-V1001 WeakPolarHBondContact O-CG2 3.09Å
1002S32.7Very low32.7Very low108 Ų108123.5 Ų123.576%0.75567%0.672SS**  trans-129.197.513550.60000110.8
1003N35.1Very low32.5Very low134 Ų134122.8 Ų122.872%0.71766%0.664SS**  trans47.396.3134.1-50.5-26.5000117.3
1004A30.9Very low32.5Very low94 Ų94124.7 Ų124.778%0.77768%0.679SS**  cis86.390.538.800000116.3
1005K34.6Very low31.9Very low198 Ų198126.6 Ų126.686%0.86168%0.684SS**  trans-149.7121.9139.8-97179.1-178.1175.80104.4
1006T33Very low31.7Very low111 Ų111128.1 Ų128.168%0.68169%0.693SS**  cis52.311947.376.20000112.1
1007M30.5Very low31.5Very low131 Ų131123.7 Ų123.765%0.64569%0.688SS**  cis-154.9159.18.6-130.9175.5-131.900108.2F1009M1007-F1009 HydrophobicContact CE-CD2 4.12Å; M1007-F1009 HydrophobicContact CE-CE2 3.39Å; M1007-F1009 HydrophobicContact CE-CZ 3.84Å; M1007-F1009 HydrophobicContact CG-CD2 4.33Å; M1007-F1009 HydrophobicContact SD-CD2 3.61Å; M1007-F1009 HydrophobicContact SD-CE2 3.46Å; M1007-F1009 WeakPolarHBondContact SD-CE2 3.04Å; M1007-F1009 HydrophobicContact SD-CZ 4.43Å
1008P31.5Very low31.1Very low97 Ų97125.4 Ų125.463%0.6371%0.705SS**  -135.2-177.97432.5-12.8000114.2P853P853-P1008 VanDerWaalsContact CD-CB 3.45Å; P853-P1008 HydrophobicContact CG-CB 3.77Å; P853-P1008 HydrophobicContact CG-CG 4.37Å
1009F30.8Very low30.7Very low143 Ų143126.6 Ų126.663%0.62771%0.706SS**  trans-87.5175.5-165.9-100.6-71.8000116.3L852 P853 M1007L852-F1009 CarbonylContact C-O 3.22Å; L852-F1009 VanDerWaalsContact C-O 3.22Å; L852-F1009 VanDerWaalsContact CB-O 3.32Å; L852-F1009 WeakPolarHBondContact CB-O 3.21Å; P853-F1009 VanDerWaalsContact CB-O 3.24Å; P853-F1009 WeakPolarHBondContact CB-O 3.24Å; P853-F1009 WeakPolarHBondContact CD-O 3.49Å; P853-F1009 HydrophobicContact CG-CB 4.42Å; P853-F1009 WeakPolarHBondContact CG-O 3.47Å; M1007-F1009 HydrophobicContact CE-CD2 4.12Å; M1007-F1009 HydrophobicContact CE-CE2 3.39Å; M1007-F1009 HydrophobicContact CE-CZ 3.84Å; M1007-F1009 HydrophobicContact CG-CD2 4.33Å; M1007-F1009 HydrophobicContact SD-CD2 3.61Å; M1007-F1009 HydrophobicContact SD-CE2 3.46Å; M1007-F1009 WeakPolarHBondContact SD-CE2 3.04Å; M1007-F1009 HydrophobicContact SD-CZ 4.43Å
1010A30.7Very low30.5Very low52 Ų52124.7 Ų124.743%0.4371%0.709SS.*  trans-74.4160.8-176.700000115L852L852-A1010 HydrophobicContact CD1-CB 4.41Å
1011P38.7Very low30.2Very low73 Ų73126.6 Ų126.647%0.47471%0.708SS.*  trans-65.6-171.8176.11.2-0.6000110S851 L852S851-P1011 VanDerWaalsContact CA-CD 3.47Å; L852-P1011 VanDerWaalsContact CB-CA 3.42Å; L852-P1011 HydrophobicContact CB-CB 3.94Å; L852-P1011 HydrophobicContact CB-CG 3.63Å; L852-P1011 HydrophobicContact CD1-CB 2.29Å; L852-P1011 HydrophobicContact CD1-CG 2.28Å; L852-P1011 WeakPolarHBondContact CD1-O 3.49Å; L852-P1011 HydrophobicContact CD2-CB 2.82Å; L852-P1011 HydrophobicContact CD2-CG 3.62Å; L852-P1011 HydrophobicContact CG-CB 2.3Å; L852-P1011 HydrophobicContact CG-CG 2.32Å
1012L29.4Very low30.1Very low151 Ų151128.4 Ų128.479%0.79172%0.719SS**  171.8124.2122.2-100.1149.6000107.5L852L852-L1012 HydrophobicContact CD1-CB 4.47Å; L852-L1012 HydrophobicContact CD1-CG 3.95Å
1013D27.1Very low29.7Very low122 Ų122130.1 Ų130.165%0.65272%0.719SS**  trans-63.6145.4152.8-56-77.1000108.1
1014L30.1Very low29.6Very low169 Ų169130.3 Ų130.389%0.88572%0.719SS**  trans-122.5117.9151.9-84.6174.7000106.9
1015D27.6Very low29.5Very low135 Ų135133.4 Ų133.472%0.72272%0.717SS**  trans-61.7142.1172.9-63.2-85.1000111.3
1016D27.4Very low29.3Very low148 Ų148134.6 Ų134.679%0.79172%0.717SS**  trans-169.8127.5137.2-103.7-26.6000106.8
1017V28.8Very low29.2Very low106 Ų106136 Ų13664%0.64272%0.72SS**  cis-137.8135.115.8169.20000110.3I1019V1017-I1019 HydrophobicContact CG1-CB 3.8Å; V1017-I1019 HydrophobicContact CG1-CG1 4.07Å; V1017-I1019 VanDerWaalsContact CG1-N 3.31Å
1018S24.4Very low29.1Very low113 Ų113133.6 Ų133.679%0.7973%0.728SS**  trans-11641.216657.90000112.9
1019I28Very low29.1Very low150 Ų150133.4 Ų133.477%0.76974%0.735SS**  trans-109.277.3178.1-51.6179.1000110.1V1017V1017-I1019 HydrophobicContact CG1-CB 3.8Å; V1017-I1019 HydrophobicContact CG1-CG1 4.07Å; V1017-I1019 VanDerWaalsContact CG1-N 3.31Å
1020A26.9Very low29.1Very low88 Ų88135 Ų13573%0.72775%0.75SS**  trans-148.340167.400000112.5T1022A1020-T1022 VanDerWaalsContact C-N 3.31Å; A1020-T1022 PolarHBondContact O-N 3.16Å
1021R25.2Very low29.1Very low238 Ų238136.2 Ų136.290%0.89877%0.768SS**  trans-83.876.9158.3-89.9-170.2172-174.3-1.3109.3L1023R1021-L1023 VanDerWaalsContact C-N 3.3Å; R1021-L1023 PolarHBondContact O-N 3.4Å
1022T28Very low28.8Very low135 Ų135140.4 Ų140.483%0.82879%0.786SS**  trans-7883.616619.60000109.8A1020 L1024A1020-T1022 VanDerWaalsContact C-N 3.31Å; A1020-T1022 PolarHBondContact O-N 3.16Å; T1022-L1024 PolarHBondContact O-N 3.45Å
1023L26.2Very low28.9Very low144 Ų144139.2 Ų139.275%0.75479%0.785SS**  trans-69.2109.8160.9-83.2163.3000109.2R1021R1021-L1023 VanDerWaalsContact C-N 3.3Å; R1021-L1023 PolarHBondContact O-N 3.4Å
1024L31.6Very low29Very low139 Ų139141.2 Ų141.273%0.72879%0.793SS**  -88.2122.9127.7-86.776.5000105.1T1022T1022-L1024 PolarHBondContact O-N 3.45Å
1025Q30.3Very low29Very low158 Ų158140.5 Ų140.574%0.73879%0.79SS**  54.7107.785.7-62.2176.3-1000109.3
1026R29.4Very low29.1Very low224 Ų224143.6 Ų143.685%0.84580%0.797SS**  cis-148.2161.638.2-81.6-179.8166.2125.7-4.1110.9
1027D30.4Very low29.3Very low141 Ų141140 Ų14075%0.75479%0.794SS**  cis-147.6178.5-5.2-102.1-32.8000110.4
1028G29.2Very low29.1Very low79 Ų79144.5 Ų144.581%0.81481%0.806SS**  trans-79.7173.9-174.200000116.4
1029A31.9Very low29.6Very low93 Ų93145.1 Ų145.177%0.76981%0.805SS**  trans-100.6136-174.900000113.9
1030N31Very low29.7Very low176 Ų176147.3 Ų147.394%0.94181%0.809SS**  trans177.2142.2145.8-89.7-30.1000108.8
1031G29.6Very low29.8Very low79 Ų79154.6 Ų154.681%0.81482%0.817SS**  trans154.1121.7175.700000115.5
1032N31.9Very low30.5Very low160 Ų160149.3 Ų149.386%0.85681%0.814SS**  trans-66.6137.5-163.6-68.9-37000118.6
1033V31.1Very low30.7Very low127 Ų127145.9 Ų145.977%0.7781%0.806SS**  22.7117.2124.5-173.60000119.1
1034M30Very low31Very low164 Ų164147.3 Ų147.381%0.80881%0.809SS**  -171.6157.1116.7-105.6-147-75.700114.5F1036M1034-F1036 HydrophobicContact SD-CE2 4.43Å
1035N29.7Very low31.3Very low154 Ų154148.7 Ų148.782%0.82481%0.812SS**  trans-105.7123.4174.8-85-59.6000111.9
1036F29.7Very low31.4Very low200 Ų200146.4 Ų146.488%0.87781%0.808SS**  trans-157139.8151.2-79.8-76.3000107.3M1034M1034-F1036 HydrophobicContact SD-CE2 4.43Å
1037G31.7Very low31.4Very low71 Ų71141.5 Ų141.573%0.73280%0.803SS**  cis-164171.2-4.500000110.7
1038F25.6Very low31.4Very low201 Ų201140.3 Ų140.388%0.88280%0.8SS**  trans-90-177.5179.7-92.4-100000112.7
1039T33.7Very low31.6Very low126 Ų126147.3 Ų147.377%0.77380%0.802SS**  trans81.6126.4170.171.70000114.3
1040K29.6Very low31.8Very low197 Ų197153.9 Ų153.986%0.85781%0.807SS**  cis103.4113.734.7-84.7-179.3176.9178.90110.6
1041R30.2Very low31.8Very low240 Ų240149.4 Ų149.491%0.90679%0.79SS**  trans20.9156.5132.4-75.2-172.2179.9-167.5-0.6120.5
1042P40.7Very low31.9Very low127 Ų127153 Ų15383%0.82579%0.785SS**  cis-135.3-177.7-18.639-21.2000113.6
1043G31.8Very low32Very low64 Ų64149.8 Ų149.866%0.6677%0.765SS**  trans-163.1158168.100000111.9
1044E32.6Very low32Very low173 Ų173147.4 Ų147.481%0.80875%0.748SS**  trans-36.3160.3174.5-76.996.7169.700117.8
1045E36.2Very low32.2Very low169 Ų169147.5 Ų147.579%0.7974%0.744SS**  cis-157.9-178.87.8-128.9173.5171.600113.7
1046V33.4Very low32.3Very low109 Ų109146.8 Ų146.866%0.66174%0.739SS**  trans27.8105.4156.5-178.90000117.7
1047T29.3Very low33Very low122 Ų122142.6 Ų142.675%0.74873%0.732SS**  63.91525581.10000117.7
1048V31.3Very low33Very low115 Ų115146.5 Ų146.570%0.69774%0.735SS**  trans84.593.4165.9-1680000119.9
1049R33.2Very low33.5Very low226 Ų226144.3 Ų144.385%0.85373%0.728SS**  trans55.2143131.7-63.9177.9168.8163.5-5.4122.8
1050R36Very low33.5Very low232 Ų232147 Ų14788%0.87573%0.732SS**  trans70.5153.5156-75.6176.2177171.6-4.1116.4
1051S29.9Very low33.6Very low81 Ų81143.3 Ų143.357%0.56673%0.726SS**  cis-172.4139.7-28.546.50000109.7
1052Q32.8Very low33.4Very low156 Ų156136.1 Ų136.173%0.72972%0.718SS**  trans63.9162.2171-62.3161.4-5800114Y1082Q1052-Y1082 HydrophobicContact CB-CE2 4.39Å; Q1052-Y1082 WeakPolarHBondContact CB-OH 3.4Å
1053Q34.2Very low33.3Very low92 Ų92136.3 Ų136.343%0.4372%0.719SS.*  cis-178165.3-35.7163175.4-000105.9P1080 Y1082Q1053-P1080 PolarHBondContact NE2-O 3.34Å; Q1053-Y1082 HydrophobicContact CB-CD2 4.13Å; Q1053-Y1082 HydrophobicContact CB-CE2 3.44Å; Q1053-Y1082 VanDerWaalsContact CB-CE2 3.44Å; Q1053-Y1082 HydrophobicContact CG-CD2 3.81Å; Q1053-Y1082 HydrophobicContact CG-CE2 3.64Å; Q1053-Y1082 PolarHBondContact N-OH 2.91Å; Q1053-Y1082 VanDerWaalsContact N-OH 3.15Å; Q1053-Y1082 WeakPolarHBondContact O-CE1 3.46Å; Q1053-Y1082 VanDerWaalsContact O-CZ 3.27Å; Q1053-Y1082 PolarHBondContact O-OH 3.32Å
1054L30.8Very low33.3Very low77 Ų77136.2 Ų136.240%0.40372%0.718SS.*  trans29.6126.4166.2-73.4165000121.6Y1082L1054-Y1082 HydrophobicContact CB-CD1 4.04Å; L1054-Y1082 HydrophobicContact CB-CD2 4.09Å; L1054-Y1082 HydrophobicContact CB-CG 3.71Å; L1054-Y1082 HydrophobicContact CD1-CD2 4.28Å; L1054-Y1082 HydrophobicContact CD1-CG 4.31Å; L1054-Y1082 WeakPolarHBondContact O-CD1 3.19Å
1055F33.8Very low33.3Very low166 Ų166134.3 Ų134.373%0.72872%0.724SS**  -147.3152.3114.2-102.8-73.7000110.2Y1082F1055-Y1082 HydrophobicContact CD2-CD1 4.21Å; F1055-Y1082 AromaticContact CE2-CD1 3.96Å; F1055-Y1082 HydrophobicContact CE2-CD1 3.96Å
1056L31Very low33Very low139 Ų139130 Ų13073%0.72871%0.712SS**  trans-166.1175.2-173.5-106.1172.1000107.1
1057P44.8Very low32.9Very low111 Ų111130.5 Ų130.572%0.72172%0.718SS**  -96.1-157.9-69.838.9-23.8000110.2
1058L33.1Very low32.9Very low153 Ų153135 Ų13580%0.80172%0.721SS**  trans166.1153.3156.7-89.9160.9000106.7
1059E34.9Very low32.9Very low155 Ų155136.9 Ų136.972%0.72472%0.722SS**  cis-165.4154.2-26.7-155179.2-131.100109.4
1060Q33.3Very low33.2Very low183 Ų183135.4 Ų135.486%0.85572%0.722SS**  trans162.9131.1151-95.9173.837.500109.9
1061T33.6Very low32.9Very low120 Ų120132.8 Ų132.874%0.73672%0.719SS**  cis-154.9159.8-22.1-9.10000108.8
1062A25.1Very low32.8Very low89 Ų89132.9 Ų132.974%0.73673%0.725SS**  trans-77.9-167.8177.500000111.8
1063P39.5Very low32.9Very low131 Ų131135.2 Ų135.285%0.85173%0.733SS**  cis-143.7-179.13.343.7-25000117.5
1064G31.5Very low32.7Very low62 Ų62136 Ų13664%0.63974%0.744SS**  trans127.1113.9135.400000119.6
1065S31.2Very low32.7Very low133 Ų133140.9 Ų140.993%0.9377%0.77SS**  trans63.7163.1155.548.80000120
1066S30.2Very low32.5Very low78 Ų78136.7 Ų136.755%0.54577%0.766SS.*  trans-91.8177.2-176.766.70000111.9
1067P32.2Very low32.6Very low119 Ų119137.3 Ų137.377%0.77377%0.769SS**SBend-145.28573.435.5-13.9000115.1
1068R29.5Very low32Very low217 Ų217139.2 Ų139.282%0.81978%0.779SS**  trans163.6105.2145.3-94.7173177.1-170.1-1.4107.7
1069E31.4Very low31.9Very low155 Ų155136.1 Ų136.172%0.72478%0.775SS**  cis56.56046.9-47.8-176.4153.100113
1070F39.1Very low32.1Very low195 Ų195133.9 Ų133.986%0.85577%0.774SS**  trans-153.938.9154.9-104.8-69.2000111.3
1071H28.8Very low32Very low176 Ų176127.7 Ų127.782%0.81576%0.755SS**  trans-98.8164.2-179.6-113-98.8000112.2
1072A28.5Very low31.9Very low83 Ų83126.5 Ų126.569%0.68674%0.737SS**  trans71.4132.3-179.100000115.2
1073K34.9Very low32.3Very low206 Ų206127 Ų12790%0.89673%0.731SS**  cis-122.2102.71.3-58.2166.8-176.11730107
1074V30.4Very low31.9Very low109 Ų109124.6 Ų124.666%0.66172%0.717SS**  55.212367-175.90000112.9A1076V1074-A1076 PolarHBondContact O-N 3.45Å
1075L29Very low32Very low179 Ų179127.6 Ų127.694%0.93772%0.718SS**  trans-58.4124.5177.4-72.7155000112.1
1076A31.4Very low32.1Very low78 Ų78129.6 Ų129.665%0.64571%0.713SS**  trans-148.2129.6174.700000107.5V1074V1074-A1076 PolarHBondContact O-N 3.45Å
1077N32.7Very low32.5Very low151 Ų151133.9 Ų133.981%0.80772%0.724SS**  cis-145.2137.22.3-61.3-73.7000110.7
1078V32.5Very low32.6Very low151 Ų151135.4 Ų135.492%0.91573%0.726SS**  trans-148.377.7142.7-168.90000109.5
1079A30.8Very low32.7Very low88 Ų88129.5 Ų129.573%0.72772%0.724SS**  trans-87.1159.3151.900000108.3
1080P37.8Very low32.8Very low108 Ų108128 Ų12870%0.70173%0.73SS**  -156.8-175.592.439.1-19.7000115.6Q1053Q1053-P1080 PolarHBondContact NE2-O 3.34Å
1081A32.9Very low32.6Very low54 Ų54122.4 Ų122.445%0.44672%0.72SS.*  cis179.5129-45.700000108V1083A1081-V1083 HydrophobicContact CB-CG2 4.47Å
1082Y30.5Very low33Very low95 Ų95121.4 Ų121.437%0.37372%0.716SS.*  trans-120.9126.3150.8-90.6-143000103.6Q1052 Q1053 L1054 F1055Q1052-Y1082 HydrophobicContact CB-CE2 4.39Å; Q1052-Y1082 WeakPolarHBondContact CB-OH 3.4Å; Q1053-Y1082 HydrophobicContact CB-CD2 4.13Å; Q1053-Y1082 HydrophobicContact CB-CE2 3.44Å; Q1053-Y1082 VanDerWaalsContact CB-CE2 3.44Å; Q1053-Y1082 HydrophobicContact CG-CD2 3.81Å; Q1053-Y1082 HydrophobicContact CG-CE2 3.64Å; Q1053-Y1082 PolarHBondContact N-OH 2.91Å; Q1053-Y1082 VanDerWaalsContact N-OH 3.15Å; Q1053-Y1082 WeakPolarHBondContact O-CE1 3.46Å; Q1053-Y1082 VanDerWaalsContact O-CZ 3.27Å; Q1053-Y1082 PolarHBondContact O-OH 3.32Å; L1054-Y1082 HydrophobicContact CB-CD1 4.04Å; L1054-Y1082 HydrophobicContact CB-CD2 4.09Å; L1054-Y1082 HydrophobicContact CB-CG 3.71Å; L1054-Y1082 HydrophobicContact CD1-CD2 4.28Å; L1054-Y1082 HydrophobicContact CD1-CG 4.31Å; L1054-Y1082 WeakPolarHBondContact O-CD1 3.19Å; F1055-Y1082 HydrophobicContact CD2-CD1 4.21Å; F1055-Y1082 AromaticContact CE2-CD1 3.96Å; F1055-Y1082 HydrophobicContact CE2-CD1 3.96Å
1083V33.8Very low33.4Very low100 Ų100126.6 Ų126.661%0.60672%0.718SS**  cis74.1116.528.2-169.10000111.6A1081A1081-V1083 HydrophobicContact CB-CG2 4.47Å
1084S30.3Very low33.4Very low79 Ų79127 Ų12755%0.55271%0.713SS**  cis-160.7-161.2-11.747.80000110.1
1085D34.8Very low33.6Very low126 Ų126128 Ų12867%0.67472%0.72SS**  trans78.3107.4162.7-40.8-19.3000114.4
1086E33.3Very low33.7Very low174 Ų174127.2 Ų127.281%0.81371%0.712SS**  97.7142.995.3-85.2-178.4-161.700111.2
1087E37.2Very low33.9Very low168 Ų168128.9 Ų128.979%0.78572%0.716SS**  cis-154170.7-23.6-141.9179.3-163.300109
1088D34.6Very low33.9Very low152 Ų152126.7 Ų126.781%0.81371%0.707SS**  trans22.5118.2164.4-93.8-6000122.8
1089A32.6Very low33.9Very low93 Ų93128.7 Ų128.777%0.76970%0.704SS**  trans-159.856.9144.200000116.8
1090S32.7Very low34.4Very low123 Ų123129.6 Ų129.686%0.8670%0.702SS**  trans67.5156.7152.686.80000118.9
1091A35.4Very low34.2Very low77 Ų77132 Ų13264%0.63671%0.71SS**  cis-156.1146.8-300000112.1
1092Q37.3Very low34.5Very low155 Ų155141.6 Ų141.672%0.72473%0.734SS**  trans68139.1156.9-56.9-173.13200117.6
1093R35.9Very low34.5Very low193 Ų193147 Ų14773%0.72876%0.76SS**  cis-158.6136.50-116.3167.1-165.8-163.86.2110.7
1094R35.2Very low34.2Very low213 Ų213146.4 Ų146.480%0.80477%0.765SS**  trans53.197.9148.7-65.3179.1179.2178.3-2.2118.2
1095T35.2Very low34.2Very low131 Ų131146.8 Ų146.880%0.80477%0.773SS**  74.5108.773.6650000116
1096E29.8Very low33.9Very low163 Ų163149.5 Ų149.576%0.76278%0.781SS**  trans-46.3165.6145.4-124.2-173.6-113.700112.6
1097P37.5Very low33.9Very low112 Ų112146.4 Ų146.473%0.72778%0.779SS**  -153164.66941-20.7000119.3
1098V30.8Very low33.6Very low105 Ų105147.5 Ų147.564%0.63678%0.784SS**  trans-49.1151.8161.4177.10000114.1
1099K34.1Very low33.9Very low193 Ų193145.3 Ų145.384%0.83978%0.778SS**  trans-164.4127151.7-109.3153.9-170.7170.40114
1100P41.4Very low33.8Very low107 Ų107146.7 Ų146.770%0.69578%0.777SS**  trans-86.3148.7149.733.7-30.5000111.5
1101D33.1Very low33.7Very low160 Ų160145.7 Ų145.786%0.85677%0.77SS**  trans43.985158.1-63.9-21.1000120.9
1102R38Very low33.4Very low255 Ų255150.3 Ų150.396%0.96278%0.779SS**  -142.7136.1122.2-109.5178.6-176-176.60.9111.1
1103K31.1Very low32.9Very low208 Ų208149.5 Ų149.590%0.90478%0.778SS**  trans-63153.6175.7-71.6179.8-177.9-179.30111.4
1104A27.9Very low32.5Very low88 Ų88147.9 Ų147.973%0.72778%0.779SS**  cis-166.6176.7-10.300000110.2
1105A31Very low32.7Very low86 Ų86147.3 Ų147.371%0.71178%0.777SS**  trans67.511015800000120.4
1106Q28.9Very low32.7Very low183 Ų183148.3 Ų148.386%0.85577%0.774SS**  trans60.1137.4133-66.2178.6-27.700122.7
1107S32.3Very low32.8Very low109 Ų109149.1 Ų149.176%0.76278%0.783SS**  trans56.298.2152.158.10000121.1
1108E31.8Very low32.7Very low191 Ų191147 Ų14789%0.89378%0.781SS**  64.7163.5117.7-96-172.8-169.200121
1109P40.9Very low32.9Very low106 Ų106148.5 Ų148.569%0.68879%0.79SS**  -132-166.2-117.636.8-15.3000116.7
1110V29.2Very low32.9Very low123 Ų123142.2 Ų142.275%0.74578%0.781SS**  trans97.8138.6160.8-168.20000117.3
1111S31.2Very low32.6Very low102 Ų102147.2 Ų147.271%0.71379%0.787SS**  trans64130.7169.844.50000118.4
1112Q29.1Very low32.7Very low174 Ų174148.3 Ų148.381%0.81378%0.784SS**  cis104.1142.822.7-176.9178.63.500113.4
1113L27.4Very low32.2Very low138 Ų138142 Ų14272%0.72377%0.774SS**  trans81.5134.6168.3-87.2156.1000119.5
1114Q27.6Very low32.3Very low159 Ų159137.5 Ų137.574%0.74376%0.764SS**  trans63.1130.4163.3-55.8175.39.400115.8
1115R37.9Very low32.8Very low201 Ų201142.3 Ų142.376%0.75877%0.771SS**  cis-145131.339.8-76.2176.9177.6167.40.4112
1116M36.8Very low33.1Very low152 Ų152141.3 Ų141.375%0.74977%0.769SS**  77.6114.8106.7-61.2-172.8-31.800114.3
1117L30.6Very low33.3Very low180 Ų180141 Ų14194%0.94277%0.768SS**  80.9116.265.3-91.2158.3000114.1
1118G36.3Very low33.1Very low67 Ų67141.5 Ų141.569%0.69176%0.762SS**  trans167.9136.416000000111.9
1119V34.6Very low33Very low136 Ų136139.9 Ų139.982%0.82475%0.754SS**  cis-151.4133.4-9.8-1790000109.5
1120G34.6Very low32.7Very low62 Ų62141.5 Ų141.564%0.63976%0.758SS**  trans78.4155.7161.200000116.7
1121Y34Very low33.1Very low212 Ų212140.9 Ų140.983%0.83175%0.754SS**  cis-151.8149.8-6.4-92-79.6000109.9
1122K34.9Very low33.8Very low182 Ų182142.6 Ų142.679%0.79175%0.754SS**  trans46.6118159.8-61.5-177178.1-172.60117.9
1123T29.3Very low34Very low122 Ų122138.2 Ų138.275%0.74874%0.742SS**  cis59111.637.880.10000116.9
1124V32.3Very low34.4Very low115 Ų115139.6 Ų139.670%0.69775%0.745SS**  trans80.3146.6133.1170.30000118.9
1125E39.1Very low34.6Very low188 Ų188136.4 Ų136.488%0.87974%0.741SS**  trans62.6146.1171.6-74.6142-154.600117.3
1126G36.8Very low34.4Very low65 Ų65135.3 Ų135.367%0.6774%0.744SS**  cis-135.6155.9-17.500000107.4
1127Q33.5Very low34Very low178 Ų178138.3 Ų138.383%0.83275%0.749SS**  65.7106.652-148.6176.82000114.2
1128N27.8Very low34.2Very low119 Ų119141.4 Ų141.464%0.63675%0.748SS**  trans69.2155.9148-74.927.9000122.7
1129E28.3Very low34.1Very low156 Ų156141.1 Ų141.173%0.72975%0.745SS**  trans57.7108.3147.2-72.3152.2-114.400118.8
1130D34.7Very low33.8Very low141 Ų141141.3 Ų141.375%0.75475%0.747SS**  -161.5136.399.9-101-10.2000110.6
1131V39.2Very low34.1Very low109 Ų109144.3 Ų144.366%0.66175%0.753SS**  78.1124.971.8113.80000110.7
1132L45.7Very low34.3Very low139 Ų139141 Ų14173%0.72875%0.745SS**  cis-127.1171.917.6-66.3111.7000111.7
1133S32.2Very low34.4Very low81 Ų81139.3 Ų139.357%0.56674%0.738SS**  cis62.8143.941.9144.20000112.2
1134Q35.2Very low34.7Very low168 Ų168139.5 Ų139.579%0.78573%0.731SS**  cis-149.8145.43.5-119.6161.227.600108.3
1135S32.8Very low35Very low92 Ų92144.6 Ų144.664%0.64374%0.738SS**  94.3130.611169.50000117.7
1136E34.5Very low34.9Very low177 Ų177139.7 Ų139.783%0.82773%0.73SS**  trans67.2109.7135.5-70177.6-158.600122.9
1137Y27.7Very low34.5Very low216 Ų216142.9 Ų142.985%0.84774%0.736SS**  68.5135.2117.2-124.2-92.1000121.1
1138R34.8Very low34.7Very low244 Ų244139.4 Ų139.492%0.92173%0.729SS**  trans63.3147-166.4-57.1179.9169.7-164.4-2.8112.8
1139G33.1Very low35.3Very low62 Ų62140.9 Ų140.964%0.63974%0.736SS**  cis155.3128.1-7.200000111.6
1140T29.4Very low35.4Very low139 Ų139142.7 Ų142.785%0.85374%0.736SS**  trans46.592.2159.256.20000118.3
1141T40.8Very low35.8Very low126 Ų126141.8 Ų141.877%0.77374%0.738SS**  -145118.1110.725.80000107.2
1142E38.7Very low35.6Very low143 Ų143139.5 Ų139.567%0.66872%0.724SS**  67.9135.786.7-68.8-159157.700113.1
1143K36.9Very low35.1Very low146 Ų146140.4 Ų140.464%0.63572%0.724SS**  cis-161.8162.6-0.3-100.4160.2174.8150.70105.5
1144M34.8Very low35.4Very low125 Ų125143.1 Ų143.162%0.61673%0.732SS**  cis-160.51506.7-135.6-172.5-68.800109.8
1145R39.1Very low35.7Very low222 Ų222139.3 Ų139.384%0.83872%0.721SS**  trans63.1135.4156.1-61.5172.2-164.3-1611.8118.2
1146A36.4Very low36.1Very low86 Ų86142.7 Ų142.771%0.71173%0.726SS**  cis-156.4144.1-16.400000108.1
1147V28.6Very low36.1Very low132 Ų132141 Ų14180%0.872%0.723SS**  cis73.7126.821.9-1730000112.9
1148P37.4Very low36.7Very low104 Ų104135.3 Ų135.368%0.67571%0.712SS**  cis-135.6-125.9-26.340.7-21.7000111.1
1149L41.6Very low36.3Very low151 Ų151129.6 Ų129.679%0.79170%0.704SS**  trans79.4114.1173.8-54.2176.5000114.3
1150R30.4Very low36.2Very low194 Ų194133.7 Ų133.773%0.73271%0.711SS**  cis54.9115.818.1-68.7-173.8166.8-156.32.8112.7V1152R1150-V1152 HydrophobicContact CB-CG2 3.64Å; R1150-V1152 HydrophobicContact CG-CG2 3.55Å
1151P43.1Very low36.2Very low121 Ų121133.3 Ų133.379%0.78670%0.704SS**  -111.1154.763.3-6.327000114.3
1152V34.3Very low36Very low62 Ų62135.3 Ų135.338%0.37670%0.704SS.*  cis87.2122.617.6179.40000115.6R1150R1150-V1152 HydrophobicContact CB-CG2 3.64Å; R1150-V1152 HydrophobicContact CG-CG2 3.55Å
1153H34.5Very low35.7Very low157 Ų157137.1 Ų137.173%0.72771%0.706SS**  trans65.5162.5164.7-64.2-27.1000115.2
1154N39.6Very low35.2Very low138 Ų138138.5 Ų138.574%0.73872%0.715SS**  cis-118.2130.613.6-85.5-58.2000110.5
1155T41.5Very low35.3Very low89 Ų89136.6 Ų136.655%0.54672%0.719SS.*  64.5155.883.268.50000112.1
1156E40.1Very low34.8Very low162 Ų162132.5 Ų132.576%0.75772%0.718SS**  cis-147.7173.525.3-73.8-177.1179.200109.4
1157L34.5Very low34.9Very low143 Ų143133.5 Ų133.575%0.74972%0.72SS**  cis-157163.6-24.9-101.1165.9000106
1158P41.3Very low35.6Very low96 Ų96135 Ų13562%0.62372%0.723SS**  trans-93.6-175.3-175.239.7-36.8000113.5
1159T26.7Very low35.6Very low124 Ų124133.1 Ų133.176%0.76172%0.722SS**  trans59.5111.1161.253.50000118.3
1160L29.5Very low35.3Very low148 Ų148133.1 Ų133.178%0.77572%0.723SS**  -166.1171.292.7-13968000112.4
1161N30.3Very low35.4Very low131 Ų131134.4 Ų134.470%0.70173%0.728SS**  trans-19.1133.5166-51.5-26.8000117.4
1162Q37.8Very low34.9Very low167 Ų167134.1 Ų134.178%0.7872%0.724SS**  -177.8136.2121-100170.850.600113.3
1163Y32.2Very low34.7Very low182 Ų182142.2 Ų142.271%0.71475%0.748SS**  trans53.6132.6154.3-64.3-62.6000120.5
1164Q26.5Very low34.6Very low175 Ų175141 Ų14182%0.81875%0.751SS**  44.6128.691.9-57.3176.7-3.300112.8
1165A35.2Very low34.2Very low84 Ų84144.5 Ų144.569%0.69475%0.754SS**  cis-148.1142.344.900000111
1166T30.4Very low33.7Very low136 Ų136148.2 Ų148.283%0.83477%0.765SS**  28.1125.493.158.40000114.6
1167S37.7Very low34Very low107 Ų107145.9 Ų145.975%0.74876%0.764SS**  cis-148.7-166.211.763.80000109.3
1168L43.9Very low33.9Very low165 Ų165147.8 Ų147.886%0.86477%0.769SS**  cis-156.2171.414.9-138.6174.1000108.8
1169G36Very low33.3Very low63 Ų63153 Ų15365%0.64978%0.778SS**  trans94.193.8169.100000114.9
1170N35.9Very low33.9Very low152 Ų152154.5 Ų154.581%0.81378%0.781SS**  trans-71.5147.8179.8-64.9-43.3000111.6
1171R32.8Very low34.3Very low221 Ų221150.3 Ų150.383%0.83477%0.774SS**  57.699.457.1-75.9-172.7173.1179.9-0.5112.8
1172T32.1Very low34.2Very low115 Ų115153.1 Ų153.171%0.70678%0.783SS**  50.5110.390.5680000115.5
1173R30.8Very low34.3Very low232 Ų232148.6 Ų148.688%0.87578%0.781SS**  169.8129.1104.9-91.8179177.8-178.5-1.6113.5
1174V31.4Very low34.1Very low130 Ų130144.2 Ų144.279%0.78878%0.777SS**  trans28.4109.7136.4-160.10000119
1175R31Very low34.2Very low212 Ų212140 Ų14080%0.877%0.772SS**  178.2136.2110.4-98.3-166.8-177.8-1551.1114.5
1176Q32.3Very low34Very low167 Ų167143.3 Ų143.378%0.7877%0.773SS**  trans65.8161.7149.6-74.2-178.3-64.800119.1
1177P45.1Very low34.2Very low114 Ų114146.8 Ų146.874%0.7477%0.772SS**  trans-115.9145.3-148.539.7-29.7000116.2
1178E34.2Very low34Very low182 Ų182148.3 Ų148.385%0.8578%0.777SS**  trans-130.8131.6162.7-75.1-177.5159.400106.6
1179Y26.9Very low33.2Very low205 Ų205144.2 Ų144.280%0.80476%0.759SS**  67.512878.7-94.2-80.4000114.4
1180N39.3Very low33.6Very low156 Ų156147.5 Ų147.583%0.83477%0.767SS**  trans63.2163.8175.6-48.3-32.7000114
1181G38.8Very low33.6Very low61 Ų61151.7 Ų151.763%0.62977%0.773SS**  cis-155.7166.2-6.600000107.8
1182Q27.8Very low33.2Very low190 Ų190144.4 Ų144.489%0.88876%0.76SS**  44.387.158.4-74.1-174.4-39.200111.7S1184Q1182-S1184 VanDerWaalsContact C-OG 3.23Å
1183G40.5Very low33.3Very low72 Ų72144.9 Ų144.974%0.74277%0.765SS**  trans179.667.8169.700000109.6
1184S27Very low33.1Very low89 Ų89137.8 Ų137.862%0.62276%0.756SS**  cis50.834.125.691.70000114.7Q1182Q1182-S1184 VanDerWaalsContact C-OG 3.23Å
1185A30.3Very low33Very low86 Ų86138 Ų13871%0.71176%0.758SS**  trans-108.6109.3152.700000106.6
1186Q29.5Very low32.9Very low154 Ų154132.1 Ų132.172%0.7275%0.749SS**  69.311362.2-62.1174.4-31.200110.8
1187Y35Very low32.9Very low210 Ų210130.3 Ų130.382%0.82475%0.745SS**  63.162.274.7-70.2-70.3000111.8T1189Y1187-T1189 WeakPolarHBondContact CA-OG1 3.46Å; Y1187-T1189 WeakPolarHBondContact CB-OG1 3.43Å; Y1187-T1189 WeakPolarHBondContact O-CB 3.3Å; Y1187-T1189 PolarHBondContact O-OG1 3.27Å
1188T33Very low32.2Very low138 Ų138130.6 Ų130.685%0.84774%0.744SS**  trans-114.681145.254.50000106.7
1189T27.3Very low32Very low80 Ų80128.6 Ų128.649%0.49174%0.739SS.*  cis70.167.749.4-46.80000112.8Y1187 A1192Y1187-T1189 WeakPolarHBondContact CA-OG1 3.46Å; Y1187-T1189 WeakPolarHBondContact CB-OG1 3.43Å; Y1187-T1189 WeakPolarHBondContact O-CB 3.3Å; Y1187-T1189 PolarHBondContact O-OG1 3.27Å; T1189-A1192 HydrophobicContact CG2-CB 3.97Å
1190T45Very low32Very low132 Ų132126 Ų12681%0.8174%0.739SS**SBendtrans-15994.9157.530.30000104.1
1191Y34.9Very low31.6Very low239 Ų239124.4 Ų124.494%0.93773%0.729SS**SBendcis-114.3147.630-67.3-102.1000115.4
1192A24.8Very low31.2Very low69 Ų69129.3 Ų129.357%0.5774%0.735SS**  trans-159.6-176.2164.100000105.3T1189T1189-A1192 HydrophobicContact CG2-CB 3.97Å
1193P34.1Very low31.2Very low125 Ų125125.9 Ų125.981%0.81273%0.728SS**  cis-131.6-139.4-3.341.9-21.5000111.7
1194A27.1Very low30.6Very low82 Ų82127.1 Ų127.168%0.67873%0.725SS**  trans-49.1159.8171.400000113.8
1195V29.4Very low31.2Very low136 Ų136128.3 Ų128.382%0.82473%0.73SS**  -150.4-174.566.71600000111.7
1196S28Very low31.7Very low87 Ų87127.9 Ų127.961%0.60873%0.727SS**  trans-67.1-179.9-168.6510000118.1
1197D32.2Very low31.9Very low130 Ų130131.6 Ų131.670%0.69573%0.734SS**  trans95.2111.7151-58.4-52.9000120.9
1198T31.1Very low32.4Very low119 Ų119129.3 Ų129.373%0.7373%0.731SS**  trans53.5120.6142.660.90000121.4
1199N29.2Very low32.4Very low140 Ų140127.5 Ų127.575%0.74973%0.73SS**  trans62.4110.8139.1-71.8-18.5000120.2
1200L27.6Very low32.4Very low151 Ų151127.9 Ų127.979%0.79174%0.742SS**  trans67.9140.6153.4-75.276.3000114.6
1201I30.5Very low31.6Very low123 Ų123130 Ų13063%0.63175%0.748SS**  cis-156.9156.424-140.7162000111.1
1202Q30.6Very low31.4Very low164 Ų164125.5 Ų125.577%0.76674%0.739SS**  trans59.3125160.2-72.7162.85.400118.9
1203T28.9Very low31.8Very low118 Ų118128.7 Ų128.772%0.72475%0.745SS**  cis-143.5138.5-9.854.90000107.2
1204S26.4Very low31.7Very low98 Ų98130.6 Ų130.669%0.68574%0.744SS**  cis60.7152.646.483.30000114.4
1205P40.9Very low31.9Very low113 Ų113134.2 Ų134.273%0.73475%0.75SS**  -136.5-172.5-56.339.7-25.3000111.9
1206A40.7Very low32.1Very low77 Ų77134.5 Ų134.564%0.63675%0.748SS**  trans77.5122.8147.900000118.3
1207R32.9Very low32.4Very low232 Ų232142.2 Ų142.288%0.87576%0.763SS**  cis-159.949.6-6.7-138.3162.4-170.4168.31.3113.5
1208E46.2Very low32.3Very low162 Ų162144 Ų14476%0.75777%0.767SS**  trans-67.3143.2159.9-67.189.9174.700110.8
1209A32Very low32.2Very low101 Ų101146.2 Ų146.284%0.83577%0.772SS**  cis82.739.124.400000115.9
1210A27.9Very low33Very low88 Ų88147.4 Ų147.473%0.72778%0.778SS**  trans-124155.2151.500000109.3I1212A1210-I1212 PolarHBondContact O-N 3.37Å
1211N28.1Very low33.5Very low177 Ų177148.6 Ų148.695%0.94778%0.784SS**  trans-62.8130.8-177.7-81.7-23000112.1
1212I30.3Very low33.6Very low144 Ų144146.3 Ų146.374%0.73878%0.783SS**  trans-124.1124169.3-87.6177.3000106.3A1210A1210-I1212 PolarHBondContact O-N 3.37Å
1213L33.3Very low33.5Very low136 Ų136146.4 Ų146.471%0.71279%0.788SS**  trans45.2141.1144.6-46.6179.3000119.5
1214E33.5Very low33.6Very low165 Ų165149.3 Ų149.377%0.77179%0.794SS**  cis-158.2157.8-4.4-123.5159.5164.400109.6
1215L30.8Very low34Very low157 Ų157151.7 Ų151.782%0.82280%0.799SS**  trans-109.6163.4162.4-83.8165.7000108.7
1216D32.4Very low33.4Very low143 Ų143150.4 Ų150.477%0.76580%0.798SS**  trans64.5112.7175.4-52.5-17.1000116.9
1217R34.1Very low33Very low248 Ų248152.3 Ų152.394%0.93680%0.797SS**  -177147.5102-96.9165.9-170.9-1661.9114.4
1218E30.5Very low32.8Very low167 Ų167148.8 Ų148.878%0.7880%0.795SS**  trans-90.3-177.3-177.2-51.8171.2114.300113
1219M30.2Very low31.8Very low167 Ų167146.4 Ų146.482%0.82378%0.784SS**  trans83121.7158.2-72.1175.7-91.300119
1220N44.7Very low31.7Very low164 Ų164146.7 Ų146.788%0.87778%0.777SS**  trans-107.6145.3176.6-75.6-96.9000110.4
1221L38.7Very low31.8Very low177 Ų177147.6 Ų147.693%0.92777%0.774SS**  trans-163.5150.2164.2-100.9165.4000108.9
1222A33.3Very low32.4Very low74 Ų74144 Ų14461%0.61276%0.762SS**  -153158.2-63.400000110.3
1223L28.1Very low32.5Very low167 Ų167145.1 Ų145.187%0.87476%0.762SS**  trans56.691.9157-66.8163.8000119.5
1224Q31.5Very low32.5Very low178 Ų178147.4 Ų147.483%0.83277%0.766SS**  -172.9147.5113.3-103.718019.600111.3
1225N33.6Very low32.3Very low149 Ų149143 Ų14380%0.79775%0.754SS**  trans54.4114.2168.3-58.7-19.1000117.5
1226A28.3Very low32.9Very low86 Ų86141.8 Ų141.871%0.71176%0.755SS**  cis-161.3165.32.600000113.4
1227N33.4Very low32.8Very low117 Ų117142 Ų14263%0.62675%0.751SS**  trans-64143.1143.9-63.4-31.9000107.2Q1229N1227-Q1229 HydrophobicContact CB-CG 3.74Å; N1227-Q1229 VanDerWaalsContact CG-CD 3.46Å; N1227-Q1229 PolarHBondContact ND2-NE2 2.97Å; N1227-Q1229 VanDerWaalsContact OD1-CG 3.25Å; N1227-Q1229 WeakPolarHBondContact OD1-CG 3.2Å; N1227-Q1229 PolarHBondContact OD1-NE2 2.81Å
1228L28.2Very low32.8Very low158 Ų158137.9 Ų137.983%0.82774%0.743SS**  cis-115.6119.630.7-62.9159.1000110.5
1229Q25.7Very low32.8Very low112 Ų112138 Ų13852%0.52374%0.743SS.*  81.7151.460.2-80.1-171.6-14.300113.7N1227N1227-Q1229 HydrophobicContact CB-CG 3.74Å; N1227-Q1229 VanDerWaalsContact CG-CD 3.46Å; N1227-Q1229 PolarHBondContact ND2-NE2 2.97Å; N1227-Q1229 VanDerWaalsContact OD1-CG 3.25Å; N1227-Q1229 WeakPolarHBondContact OD1-CG 3.2Å; N1227-Q1229 PolarHBondContact OD1-NE2 2.81Å
1230P29.8Very low32.9Very low107 Ų107138.5 Ų138.570%0.69574%0.741SS**  cis-95.7169.27.634.6-25.3000113.5
1231T30.3Very low32.3Very low106 Ų106136.8 Ų136.865%0.6573%0.732SS**  30.1136.987.4110.40000114.7
1232S40.5Very low32.1Very low102 Ų102135.5 Ų135.571%0.71372%0.724SS**  cis-127142.219.258.60000110.7
1233K31.2Very low32.4Very low167 Ų167136.9 Ų136.973%0.72673%0.727SS**  49.5118.170.5-79-179.2179.3173.50112.9
1234K33.4Very low32.4Very low185 Ų185139.5 Ų139.580%0.80473%0.727SS**  73.4155.4124.2-71.8-167.5171.5-155.70118.6
1235S29.6Very low32.8Very low73 Ų73139.6 Ų139.651%0.5173%0.727SS.*  cis-163.1159.7-16.1390000110.4E1237S1235-E1237 PolarHBondContact O-N 3.18Å
1236P44.2Very low32.8Very low130 Ų130138.1 Ų138.184%0.84473%0.726SS**  trans-75101.9161.731.5-32.2000110.6
1237E29.8Very low33.3Very low147 Ų147139.6 Ų139.669%0.68773%0.728SS**  trans-168.3132.9164.9-120.8177.1165.800110.8S1235S1235-E1237 PolarHBondContact O-N 3.18Å
1238Q33.5Very low33.1Very low163 Ų163142.9 Ų142.976%0.76274%0.737SS**  trans63.1161.1163.2-60.2157.417.600114.8
1239E31.2Very low33.4Very low168 Ų168142.6 Ų142.679%0.78573%0.734SS**  cis-144.6128.75.9-150.6166.7-150.500109.1
1240K31.8Very low33.6Very low179 Ų179144 Ų14478%0.77874%0.742SS**  16.8142.8116.7-74-176175179.50119.9
1241N33.5Very low33.6Very low128 Ų128145.7 Ų145.768%0.68474%0.741SS**  trans81.3125.2161.8-47.1-35.6000116.1
1242I32.7Very low33.5Very low149 Ų149147.1 Ų147.176%0.76474%0.74SS**  73.613250.5-59.6164.7000111.5
1243P41.2Very low33.3Very low103 Ų103150 Ų15067%0.66974%0.742SS**  cis-140.6-169.7-16.742.5-23.6000115.8
1244Y28.3Very low33.6Very low222 Ų222148.9 Ų148.987%0.87174%0.74SS**  trans60.1166.6154.2-97.3-88.9000120.4
1245E39.9Very low33.4Very low181 Ų181145.4 Ų145.485%0.84673%0.729SS**  trans-60.9136.6-177.1-63.8-176.5115.500113.2
1246P33.7Very low33.7Very low118 Ų118147.5 Ų147.577%0.76674%0.741SS**  -127.5171.9100.41.420.5000114.8
1247P37.8Very low33Very low116 Ų116148.3 Ų148.375%0.75373%0.731SS**  trans-91.9-176.9-176.538.3-38.1000114.5
1248K29.2Very low33Very low187 Ų187147.1 Ų147.181%0.81373%0.73SS**  trans82.4120-168.9-57.2-177.6177.7-179.50110.8
1249I33.9Very low32.9Very low151 Ų151144.1 Ų144.177%0.77472%0.719SS**  cis61149.135.9-36.7175.7000111.8
1250M30.7Very low32.9Very low141 Ų141144 Ų14470%0.69572%0.719SS**  trans77.5103.3171.7-57.1-166.6160.800113.5
1251H29.3Very low32.8Very low144 Ų144139.9 Ų139.967%0.66771%0.712SS**  109.7167.282.6-78.9-18000107.3
1252Q28.9Very low32.7Very low136 Ų136138.6 Ų138.664%0.63671%0.713SS**  cis-138161.85-134.3133.44.100106.4
1253E36.7Very low32.6Very low161 Ų161139.2 Ų139.275%0.75272%0.717SS**SBend177.314779.4-82.4-160.6120.700106.8
1254Q37.4Very low32.2Very low144 Ų144139.6 Ų139.667%0.67372%0.722SS**  cis-139.5145.8-15.9-85.115722.100104
1255L28.4Very low32.2Very low112 Ų112140.4 Ų140.459%0.58673%0.725SS**  51.714269.2-64.6168.6000112.8K1257L1255-K1257 HydrophobicContact CD2-CG 3.92Å
1256P35.3Very low31.8Very low117 Ų117135 Ų13576%0.7672%0.719SS**  cis-95158.711.10.822.9000112.9
1257K29.3Very low31.7Very low147 Ų147134.5 Ų134.564%0.63972%0.718SS**  84.3142.451-67.8170121.7-87.60115L1255L1255-K1257 HydrophobicContact CD2-CG 3.92Å
1258D31.2Very low31.3Very low122 Ų122137.7 Ų137.765%0.65272%0.723SS**  trans50.2108.2141.3-47.2-17.3000119.3
1259D29.9Very low31.9Very low101 Ų101134 Ų13454%0.5472%0.718SS.*  57.1133.2113.4-131.336.3000120.6Y15Y15-D1259 WeakPolarHBondContact CE2-OD1 3.38Å
1260Q31.9Very low31.6Very low166 Ų166132.2 Ų132.278%0.77672%0.719SS**  trans71.4147.2163.7-60.2169.349.100117.5
1261S30.3Very low31.4Very low91 Ų91129.8 Ų129.864%0.63672%0.721SS**  cis-166.1149.9-17.450.20000111.6
1262S30.1Very low31.8Very low101 Ų101132.2 Ų132.271%0.70673%0.73SS**  trans47.6139.4144.765.60000123.6
1263L31.4Very low32.1Very low162 Ų162129.5 Ų129.585%0.84873%0.731SS**  trans72.288.7145-102.773.9000120.4
1264S33.1Very low31.8Very low111 Ų111127.3 Ų127.378%0.77673%0.728SS**  -172.7111.8121.549.80000108.7
1265Y27.3Very low31.6Very low239 Ų239127.1 Ų127.194%0.93773%0.731SS**  45.697.782.1-96.1-86.6000113.7
1266G32.2Very low32Very low69 Ų69127.6 Ų127.671%0.71174%0.741SS**  trans-179.152.9-175.600000115.5
1267S31.1Very low31.8Very low106 Ų106126.7 Ų126.774%0.74173%0.726SS**  trans17.2130.8154.754.70000122.4
1268E30.6Very low31.8Very low183 Ų183125.7 Ų125.786%0.85572%0.718SS**  trans75.2163.5146.9-66.7-170.917500119.5
1269P40.5Very low32.1Very low111 Ų111125.2 Ų125.272%0.72173%0.725SS**  -140.5168.6-5641.1-25.7000115.4
1270S28.8Very low32.1Very low112 Ų112131.6 Ų131.678%0.78374%0.742SS**  trans60.9119146.7-155.20000122
1271A26.9Very low32.5Very low91 Ų91128.5 Ų128.575%0.75273%0.729SS**  trans6084.4141.100000120.5
1272K36.2Very low32.6Very low194 Ų194126.8 Ų126.884%0.84373%0.726SS**  -139.9123.6127-102.7167.7-176.1175.50107.9
1273A36.1Very low32.7Very low79 Ų79128.8 Ų128.865%0.65372%0.719SS**  70.210884.600000110.8
1274V30.8Very low32.5Very low115 Ų115130 Ų13070%0.69771%0.712SS**  62.699.454.7-173.20000111.8
1275L32.6Very low32.5Very low141 Ų141131.4 Ų131.474%0.73871%0.71SS**  -170.5170.9111.2-91.3178.5000107.9E1277L1275-E1277 HydrophobicContact CD2-CB 3.8Å
1276P36.8Very low32.5Very low121 Ų121122.7 Ų122.779%0.78669%0.693SS**  cis-114.9143.6-18.318.72.2000110.9
1277E30.9Very low32.3Very low98 Ų98128.6 Ų128.646%0.45870%0.699SS.*  cis53.195.119.4-82.2-97.5146.100115.4L1275L1275-E1277 HydrophobicContact CD2-CB 3.8Å
1278R28.9Very low32.6Very low126 Ų126126.9 Ų126.948%0.47569%0.686SS.*  trans57.2125.7133.8-56.1-175.6-169.3130.89.5121.3I1281 Y1283R1278-I1281 HydrophobicContact CB-CD1 4.16Å; R1278-I1281 HydrophobicContact CB-CG1 3.99Å; R1278-Y1283 VanDerWaalsContact NE-CE2 3.34Å; R1278-Y1283 PolarHBondContact NH2-OH 2.79Å
1279S37Very low32.5Very low113 Ų113122.8 Ų122.879%0.7968%0.677SS**SBendtrans-152.9124.9131.359.30000109.6
1280R30.9Very low32.4Very low235 Ų235120 Ų12089%0.88766%0.664SS**SBendcis-127.3131-5.1-84.1177.9172.6171-2.9109.1
1281I39.9Very low32.7Very low101 Ų101122.8 Ų122.852%0.51866%0.662SS.*  76.992.663.1-67.3167.1000110.4R1278R1278-I1281 HydrophobicContact CB-CD1 4.16Å; R1278-I1281 HydrophobicContact CB-CG1 3.99Å
1282G31.5Very low33.2Very low55 Ų55127 Ų12757%0.56766%0.663SS**  -77.2-149129.200000109
1283Y32.4Very low33.2Very low142 Ų142123.3 Ų123.356%0.55766%0.657SS**  trans75.9146.9-171.2-46.5-67.8000113.6R1278R1278-Y1283 VanDerWaalsContact NE-CE2 3.34Å; R1278-Y1283 PolarHBondContact NH2-OH 2.79Å
1284R26.9Very low33.3Very low188 Ų188125.8 Ų125.871%0.70966%0.659SS**  cis-173.2174.2-24-115.5176.3-171.71620.5106.1
1285L33.5Very low33.2Very low141 Ų141126.7 Ų126.774%0.73866%0.664SS**  trans66.1112.5166.5-51.5123.1000113.4
1286G28.2Very low33.4Very low56 Ų56128.6 Ų128.658%0.57767%0.667SS**  cis84.5148.53.400000113.8
1287K26.7Very low33.2Very low192 Ų192130.8 Ų130.884%0.83567%0.667SS**  trans84.8157.5-162.3-57.4177.4178.2-176.80113.2
1288P37.6Very low34Very low71 Ų71134.7 Ų134.746%0.46168%0.682SS.*  cis-131.4130.8-1.524.5-1.3000116.8Q50Q50-P1288 PolarHBondContact NE2-O 3.1Å
1289S29.5Very low34.8Very low97 Ų97136.8 Ų136.868%0.67870%0.697SS**  trans34.1115.5137.664.70000121.5
1290A39Very low35Very low52 Ų52134.8 Ų134.843%0.4369%0.694SS.*  trans-171.5129.9131.200000107.7
1291F34.4Very low35.3Very low171 Ų171130.9 Ų130.975%0.7569%0.69SS**  cis-117.7145.924.6-86.1-117.5000111.2
1292K36.8Very low35.3Very low178 Ų178132 Ų13277%0.77470%0.701SS**  50.1130.383-62.2179.8177.9175.70113.2
1293V37Very low35.5Very low118 Ų118135.7 Ų135.772%0.71572%0.715SS**  cis-156164.48.61000000111.3
1294D37.1Very low35.4Very low130 Ų130140.8 Ų140.870%0.69573%0.733SS**  trans14.7120.6162.5-45.9-28000118.4
1295V29.3Very low35.6Very low134 Ų134137.4 Ų137.481%0.81274%0.739SS**  cis54.573.545.6-164.10000113.5
1296K36.4Very low35.7Very low181 Ų181142.5 Ų142.579%0.78775%0.748SS**  -173.7117.4125.7-106.4171.2-176.7179.60113.3
1297E34.4Very low36.4Very low168 Ų168145.6 Ų145.679%0.78576%0.758SS**  trans62179150.6-94.4165-131.100115
1298K45.8Very low36.7Very low179 Ų179142.9 Ų142.978%0.77876%0.757SS**SBendcis-112.413.47.1-60.7162-171.5177.70111.7
1299E47.1Very low36.5Very low170 Ų170148 Ų14879%0.79478%0.775SS**  trans-144.2173.3-166.3-62.6107.8143.600109.8
1300G40.4Very low36.6Very low71 Ų71147.1 Ų147.173%0.73277%0.773SS**  trans164.711.6171.400000124.1
1301I36.6Very low36.2Very low154 Ų154151.7 Ų151.779%0.7979%0.79SS**  trans38.9106150.1-56174.7000120.1
1302T40Very low35.9Very low123 Ų123151.7 Ų151.776%0.75579%0.793SS**  trans37.5142.7141.9730000123.3
1303P36.9Very low35.6Very low134 Ų134148.8 Ų148.887%0.8779%0.794SS**  -139.7-176.696.239.3-27.1000114.9
1304R31Very low35.3Very low248 Ų248147.6 Ų147.694%0.93679%0.791SS**  trans-155.4136.7-167.4-174.3-174.4-171.2-172.55.4114.6
1305S30Very low35.1Very low117 Ų117150.5 Ų150.582%0.81880%0.798SS**  trans-151.9177.916266.50000112.4
1306R35.5Very low35.2Very low248 Ų248151.3 Ų151.394%0.93680%0.796SS**  trans-93.1150.6-161.4-56.1170.7178.2162.5-3.8114.4
1307P43.6Very low35.4Very low121 Ų121147.7 Ų147.779%0.78679%0.791SS**  trans-143.5154.814939.7-25.6000116.5
1308V32.8Very low35.3Very low136 Ų136145.9 Ų145.982%0.82479%0.791SS**  trans-158.6132.5161.2177.10000104.9
1309Q32.5Very low34.8Very low178 Ų178143.9 Ų143.983%0.83280%0.795SS**  cis-138.7-166.1-6.9-143.5-177.893.700105.7
1310A31.3Very low33.9Very low78 Ų78138.8 Ų138.865%0.64579%0.788SS**  cis-156.5-175.8-2.400000106.6
1311L31.9Very low33.5Very low149 Ų149142.9 Ų142.978%0.7880%0.798SS**  cis-135.1-115.8-5.2-149.5175.7000108.7
1312Q28.5Very low33.3Very low171 Ų171138.2 Ų138.280%0.79979%0.788SS**  trans-153.3165-172.2-71.9-173.9-55.700116.1
1313S30.5Very low32.9Very low116 Ų116140.5 Ų140.581%0.81179%0.793SS**  trans90.5140.415875.80000119.7
1314S29.8Very low32.8Very low93 Ų93137.6 Ų137.665%0.6578%0.781SS**  cis-174163.6-42.238.60000111.9
1315F32.7Very low32.8Very low192 Ų192131.9 Ų131.984%0.84277%0.769SS**  trans94.8100.9180-61.8-71.9000114.9
1316I32.2Very low32.8Very low150 Ų150135.7 Ų135.777%0.76977%0.767SS**  cis73.9133.143.3-54.7174.7000112.2
1317P39.7Very low32.3Very low106 Ų106129.7 Ų129.769%0.68876%0.757SS**  cis-131.5-166.77.428-3000116.3
1318V33.2Very low31.4Very low129 Ų129128.5 Ų128.578%0.78275%0.752SS**  trans74.4122.3163.1-172.20000115.8
1319T34.5Very low31.3Very low138 Ų138128 Ų12885%0.84775%0.749SS**  cis-155.1150.5-8.920.10000107.1
1320G29.1Very low31.2Very low63 Ų63125.7 Ų125.765%0.64975%0.75SS**  cis177.9170.8-2.300000110.7
1321V31Very low31.2Very low157 Ų157131.3 Ų131.395%0.95276%0.76SS**  trans66.5120.9-176.9-167.30000114.7
1322G32.3Very low31.2Very low55 Ų55130.7 Ų130.757%0.56776%0.762SS**  cis-158.6142.1-9.100000110.2
1323I33Very low31.6Very low171 Ų171129.4 Ų129.488%0.87776%0.756SS**  70.9117.195.1-61.5159.3000111.5
1324A33.3Very low31.7Very low74 Ų74132.2 Ų132.261%0.61275%0.754SS**  cis-151.41479.600000110.7
1325N31.1Very low31.8Very low128 Ų128132.6 Ų132.668%0.68476%0.756SS**  68.2145.488-59.2-1.7000115.3
1326Y29.6Very low31.7Very low197 Ų197129.9 Ų129.977%0.77376%0.755SS**  cis-155135-19.5-92.2-56.8000104.7
1327V25.2Very low31.5Very low121 Ų121129.9 Ų129.973%0.73376%0.757SS**  61.510475.2-173.60000116.5
1328S25.8Very low31.3Very low96 Ų96131.5 Ų131.567%0.67176%0.755SS**  trans83.4152.7143.580.50000123.5
1329T30.1Very low31.4Very low125 Ų125132.5 Ų132.577%0.76775%0.749SS**  trans68.8126.8162.367.10000120.4
1330P31.1Very low31.6Very low130 Ų130131.9 Ų131.984%0.84475%0.745SS**  trans-116.586.8160.936.4-24.2000111.8
1331K30.1Very low31.5Very low197 Ų197135.1 Ų135.186%0.85775%0.748SS**  trans-151.598165.8-78.5-166178.6179.60111.8
1332T31.9Very low31.7Very low135 Ų135135.7 Ų135.783%0.82874%0.74SS**  175.8158.3118.634.40000110.5
1333E37.1Very low31.6Very low144 Ų144138.5 Ų138.567%0.67373%0.733SS**  trans71.3106.1169-46.5-130.199.400114
1334K33.8Very low31.6Very low176 Ų176135 Ų13577%0.76572%0.715SS**  66.1137.483.3-69.7172.6-166.9154.80112.8
1335S30.1Very low31.8Very low100 Ų100137 Ų13770%0.69972%0.719SS**  cis-175.1171.9-13.1470000108.7
1336V32.1Very low31.9Very low135 Ų135132.4 Ų132.482%0.81870%0.695SS**  trans73.5116.2166.4-173.40000116.6
1337N27.1Very low31.9Very low150 Ų150130.6 Ų130.680%0.80269%0.691SS**  trans-55.2116.9160.7158.950.7000112.9
1338E36.3Very low32.3Very low140 Ų140130.2 Ų130.265%0.65468%0.681SS**  trans-159.6140.3143.8-115.1-168.6158.500115.9
1339K35.2Very low32.6Very low151 Ų151132.5 Ų132.566%0.65768%0.679SS**  trans41.3118.5140.8-74.2171.5-172.4156.90122.8
1340T37.3Very low33.1Very low124 Ų124132.3 Ų132.376%0.76168%0.683SS**  64.6140129.558.90000121.4
1341N28.2Very low33.1Very low132 Ų132133.1 Ų133.171%0.70668%0.675SS**  trans-59.5148.8155.49.1-118.7000110.7
1342E35.7Very low33.6Very low169 Ų169130.8 Ų130.879%0.7967%0.667SS**  trans-143.9169.7136.3-141.1150.7-120.100113.3I1344E1342-I1344 HydrophobicContact CG-CD1 4.42Å
1343R29.9Very low33.6Very low114 Ų114136.1 Ų136.143%0.4367%0.672SS.*  trans-76.7-166.3178.1-53.1170.4114.1166.3-8.6108.1A1366 N1367 E1368R1343-A1366 WeakPolarHBondContact CB-O 3.12Å; R1343-A1366 VanDerWaalsContact CD-O 3.24Å; R1343-A1366 WeakPolarHBondContact CD-O 3.32Å; R1343-A1366 WeakPolarHBondContact CG-O 3.31Å; R1343-A1366 PolarHBondContact NE-O 2.85Å; R1343-N1367 VanDerWaalsContact NE-C 3.29Å; R1343-E1368 IonicContact CZ-OE1 3.16Å; R1343-E1368 IonicContact NH1-OE1 3.12Å; R1343-E1368 IonicContact NH2-OE1 2.67Å; R1343-E1368 PolarHBondContact NH2-OE1 3.26Å
1344I33.6Very low33.3Very low96 Ų96135.7 Ų135.749%0.49267%0.671SS.*  165.3135.781-75179.2000106.1E1342 V1364 L1365E1342-I1344 HydrophobicContact CG-CD1 4.42Å; I1344-V1364 HydrophobicContact CG2-CB 4.13Å; I1344-V1364 HydrophobicContact CG2-CG1 3.31Å; I1344-L1365 WeakPolarHBondContact CA-O 3.05Å; I1344-L1365 WeakPolarHBondContact CG1-O 3.18Å
1345V35.6Very low33.4Very low116 Ų116132.1 Ų132.170%0.70367%0.668SS**  trans170.4149.3141.9160.80000113.2V1364 L1365V1345-V1364 HydrophobicContact CB-CG1 4.17Å; V1345-V1364 HydrophobicContact CG2-CG1 3.86Å; V1345-L1365 WeakPolarHBondContact O-CB 3.21Å
1346L33.1Very low33.4Very low33 Ų33134.4 Ų134.417%0.17367%0.671CS.*  trans-138.5130-144.1-178.9122000119.7V1362 P1363 V1364 L1365L1346-V1362 HydrophobicContact CD2-CG1 4.14Å; L1346-P1363 WeakPolarHBondContact CD2-O 3.47Å; L1346-V1364 HydrophobicContact CB-CB 3.84Å; L1346-V1364 HydrophobicContact CB-CG1 3.59Å; L1346-V1364 HydrophobicContact CB-CG2 3.92Å; L1346-V1364 VanDerWaalsContact CD1-CA 3.43Å; L1346-V1364 HydrophobicContact CD2-CG2 4.35Å; L1346-L1365 HydrophobicContact CB-CB 3.79Å; L1346-L1365 HydrophobicContact CB-CG 4.31Å; L1346-L1365 HydrophobicContact CD1-CB 3.87Å; L1346-L1365 HydrophobicContact CD1-CD2 4.35Å; L1346-L1365 HydrophobicContact CD1-CG 3.78Å; L1346-L1365 HydrophobicContact CG-CB 4.23Å; L1346-L1365 HydrophobicContact CG-CG 4.27Å
1347K31.5Very low33.4Very low158 Ų158132.8 Ų132.869%0.68766%0.662SS**  trans49.2170147.4-69.8176.8-158.3148.20121.1
1348Q31.7Very low33.8Very low114 Ų114133.9 Ų133.953%0.53366%0.662SS.*  trans95.1144.6149.1-53.1-152.438.800116.7
1349K32.5Very low34.1Very low144 Ų144132.3 Ų132.363%0.62666%0.663SS**  cis-174.6153-15.7-111.1-169.4-176-174.20110.4H1351K1349-H1351 WeakPolarHBondContact CD-NE2 3.29Å; K1349-H1351 PolarHBondContact NZ-NE2 3.43Å; K1349-H1351 VanDerWaalsContact NZ-NE2 3.18Å
1350S41.9Very low34.5Very low121 Ų121130 Ų13085%0.84666%0.664SS**  trans179.4167.2141.450.80000113.2
1351H31Very low34.5Very low146 Ų146133.2 Ų133.268%0.67667%0.668SS**  -158.1-173.9-87-117.1-37000112.9K1349K1349-H1351 WeakPolarHBondContact CD-NE2 3.29Å; K1349-H1351 PolarHBondContact NZ-NE2 3.43Å; K1349-H1351 VanDerWaalsContact NZ-NE2 3.18Å
1352Q39.9Very low34.7Very low149 Ų149131.8 Ų131.870%0.69666%0.664SS**  trans72143.9-178.6-61.9-177.2-57.400117E1354Q1352-E1354 PolarHBondContact NE2-OE1 2.72Å
1353W32Very low35Very low246 Ų246128.7 Ų128.793%0.93266%0.658SS**SBendcis-76.3135.7-7.1-61.154.6000109.1
1354E31.3Very low35.2Very low136 Ų136126.8 Ų126.864%0.63666%0.659SS**  59.9118.970-69.1-179.1-157.200113.3Q1352Q1352-E1354 PolarHBondContact NE2-OE1 2.72Å
1355S34.2Very low35.4Very low101 Ų101126 Ų12671%0.70666%0.656SS**  cis-154.3-175-0.654.10000109
1356L30.9Very low35.6Very low147 Ų147122 Ų12277%0.7763%0.634SS**  cis-144.2-171.823.7-83.1104.9000112.3
1357T33Very low36Very low101 Ų101127 Ų12762%0.6266%0.661SS**  trans4.9139.5151.3600000120.9
1358H34.6Very low36.6Very low174 Ų174126.7 Ų126.781%0.80666%0.662SS**  cis-155.7161-5.6-104.6-51.2000111.3
1359P42.5Very low37Very low106 Ų106126.8 Ų126.869%0.68867%0.67SS**  trans-104-160.5-178.543.7-36.1000111.9
1360P43.4Very low37.3Very low102 Ų102128.6 Ų128.666%0.66268%0.678SS**  cis-112.2-178.9-18.212.713.5000111.6
1361F37.7Very low37.1Very low192 Ų192127.2 Ų127.284%0.84267%0.674SS**  cis-133.3164.231.3-76.7-101.3000113
1362V32.7Very low37.2Very low103 Ų103127.7 Ų127.762%0.62468%0.682SS**  trans-117.9106-175.8172.40000111.1L1346L1346-V1362 HydrophobicContact CD2-CG1 4.14Å
1363P41.2Very low36.8Very low103 Ų103125.3 Ų125.367%0.66968%0.682SS**  trans-99.5-159.6141-21.838.3000116.4L1346L1346-P1363 WeakPolarHBondContact CD2-O 3.47Å
1364V35.4Very low36.9Very low74 Ų74117.6 Ų117.645%0.44867%0.67SS.*  -139.6-170.6-118.2169.20000114I1344 V1345 L1346I1344-V1364 HydrophobicContact CG2-CB 4.13Å; I1344-V1364 HydrophobicContact CG2-CG1 3.31Å; V1345-V1364 HydrophobicContact CB-CG1 4.17Å; V1345-V1364 HydrophobicContact CG2-CG1 3.86Å; L1346-V1364 HydrophobicContact CB-CB 3.84Å; L1346-V1364 HydrophobicContact CB-CG1 3.59Å; L1346-V1364 HydrophobicContact CB-CG2 3.92Å; L1346-V1364 VanDerWaalsContact CD1-CA 3.43Å; L1346-V1364 HydrophobicContact CD2-CG2 4.35Å
1365L37.9Very low36.9Very low81 Ų81118.4 Ų118.442%0.42468%0.677SS.*  trans-113.5-155.3-158.3-120.9-147.8000115.2I1344 V1345 L1346I1344-L1365 WeakPolarHBondContact CA-O 3.05Å; I1344-L1365 WeakPolarHBondContact CG1-O 3.18Å; V1345-L1365 WeakPolarHBondContact O-CB 3.21Å; L1346-L1365 HydrophobicContact CB-CB 3.79Å; L1346-L1365 HydrophobicContact CB-CG 4.31Å; L1346-L1365 HydrophobicContact CD1-CB 3.87Å; L1346-L1365 HydrophobicContact CD1-CD2 4.35Å; L1346-L1365 HydrophobicContact CD1-CG 3.78Å; L1346-L1365 HydrophobicContact CG-CB 4.23Å; L1346-L1365 HydrophobicContact CG-CG 4.27Å
1366A39.7Very low36.6Very low30 Ų30121.2 Ų121.225%0.24868%0.683CS.*  cis-158.61412.500000110.4R1343R1343-A1366 WeakPolarHBondContact CB-O 3.12Å; R1343-A1366 VanDerWaalsContact CD-O 3.24Å; R1343-A1366 WeakPolarHBondContact CD-O 3.32Å; R1343-A1366 WeakPolarHBondContact CG-O 3.31Å; R1343-A1366 PolarHBondContact NE-O 2.85Å
1367N40.9Very low36.9Very low139 Ų139120 Ų12074%0.74369%0.685SS**  trans32.1106170.6-57.23.9000120R1343R1343-N1367 VanDerWaalsContact NE-C 3.29Å
1368E43.8Very low36.6Very low151 Ų151119.3 Ų119.371%0.70670%0.697SS**  63130.165.7-88.3151.5-112.400116.6R1343R1343-E1368 IonicContact CZ-OE1 3.16Å; R1343-E1368 IonicContact NH1-OE1 3.12Å; R1343-E1368 IonicContact NH2-OE1 2.67Å; R1343-E1368 PolarHBondContact NH2-OE1 3.26Å
1369V39.8Very low36.4Very low117 Ų117114.1 Ų114.171%0.70969%0.69SS**  cis-161.6144.1-14.3100.80000113.2
1370K39.5Very low35.6Very low181 Ų181114.6 Ų114.679%0.78770%0.697SS**  trans18.9150.2150.5-63172.2-175.1-179.70122.3
1371A37Very low35.3Very low92 Ų92116.1 Ų116.176%0.7671%0.706SS**  cis-170.9157.9-13.600000112.8
1372N34.1Very low35Very low157 Ų157110.2 Ų110.284%0.8470%0.699SS**  trans-86.2178.2172.5-73.7-14.3000112.1
1373S31.4Very low34.9Very low99 Ų99111.6 Ų111.669%0.69271%0.708SS**  cis179164.5-27.160.10000109.1
1374A33.5Very low34.1Very low83 Ų83113.3 Ų113.369%0.68670%0.704SS**  trans54.1114.1155.400000119.7
1375I32.1Very low34.2Very low154 Ų154117.9 Ų117.979%0.7973%0.726SS**  84.7100.172.4-67.7161.2000114.8
1376L28.3Very low33.7Very low159 Ų159115.2 Ų115.283%0.83272%0.715SS**  trans53.3161.2141.3-55.6176.8000122
1377P36Very low33.4Very low123 Ų123119.4 Ų119.480%0.79973%0.731SS**  -138.4168.1-5340.3-24.6000115.1
1378G27.5Very low32.9Very low86 Ų86116.9 Ų116.989%0.88772%0.721SS**  trans119.6145164.600000114.6
1379G29.4Very low32.3Very low64 Ų64118.1 Ų118.166%0.6673%0.727SS**  cis-139.9156.9-7.700000110
1380S26Very low32.2Very low117 Ų117122.7 Ų122.782%0.81874%0.737SS**  52.3135.386.271.70000115.5
1381P37.9Very low32Very low134 Ų134119.7 Ų119.787%0.8774%0.739SS**  cis-130.8-166.83.743.4-27.2000113.8
1382G30.3Very low31.7Very low67 Ų67119.2 Ų119.269%0.69174%0.735SS**  trans118.181.9141.500000119.9
1383V30.5Very low31.6Very low132 Ų132115.5 Ų115.580%0.872%0.721SS**  trans41.595.9139.7-167.10000119.5L1385V1383-L1385 PolarHBondContact O-N 3.45Å
1384K25.5Very low31.6Very low139 Ų139116.3 Ų116.360%0.60471%0.712SS**  24.185.3121.8-57.8173.4-178.21720117.4
1385L36.4Very low31.4Very low171 Ų171116.4 Ų116.490%0.89570%0.704SS**  trans-124.5143.5133.7-105.4179.5000110.3V1383V1383-L1385 PolarHBondContact O-N 3.45Å
1386A28.3Very low31.3Very low24 Ų24117.1 Ų117.120%0.19870%0.702CS.*  trans-157.3108.2-163.300000106.5F1394 V1395A1386-F1394 HydrophobicContact CB-CB 3.87Å; A1386-F1394 HydrophobicContact CB-CD1 3.46Å; A1386-F1394 VanDerWaalsContact CB-CD1 3.46Å; A1386-F1394 HydrophobicContact CB-CE1 4.21Å; A1386-F1394 HydrophobicContact CB-CG 4.05Å; A1386-V1395 HydrophobicContact CB-CG2 4.14Å; A1386-V1395 WeakPolarHBondContact O-CG2 3.02Å
1387M32.9Very low31.8Very low119 Ų119113.5 Ų113.559%0.58669%0.688SS**  trans-168.2143.4164.6-109-60.3169.300111.6F1394 V1395M1387-F1394 VanDerWaalsContact C-CE2 3.43Å; M1387-F1394 WeakPolarHBondContact O-CD2 3.34Å; M1387-F1394 WeakPolarHBondContact O-CE2 3.03Å; M1387-V1395 HydrophobicContact CE-CG2 4.01Å; M1387-V1395 HydrophobicContact CG-CG2 4.16Å
1388T30.5Very low31.5Very low86 Ų86115.5 Ų115.553%0.52869%0.686SS.*  trans8.6114.117050.70000120.7F1394T1388-F1394 VanDerWaalsContact N-CD2 3.3Å
1389Q32.2Very low31.6Very low177 Ų177119.3 Ų119.383%0.82768%0.679SS**SBend-165.2133.4116.2-103.9177.226.700110
1390K37.9Very low31.9Very low212 Ų212122.6 Ų122.692%0.92268%0.677SS**SBendtrans3689.5172.1-64.8-179.8-179.6177.20115.9
1391S34.9Very low32.2Very low119 Ų119122.3 Ų122.383%0.83266%0.663SS**SBendcis-129.510714.851.40000112.6
1392A31Very low31.9Very low81 Ų81118.8 Ų118.867%0.66965%0.645SS**  trans57.4109.9165.400000119.5
1393S31.4Very low32.3Very low79 Ų79119.3 Ų119.355%0.55264%0.642SS**  trans46.869.4142.6580000119.8
1394F30.9Very low32.6Very low116 Ų116122.2 Ų122.251%0.50965%0.647SS.*  2.8134.5108-70.8-81.6000117.7A1386 M1387 T1388A1386-F1394 HydrophobicContact CB-CB 3.87Å; A1386-F1394 HydrophobicContact CB-CD1 3.46Å; A1386-F1394 VanDerWaalsContact CB-CD1 3.46Å; A1386-F1394 HydrophobicContact CB-CE1 4.21Å; A1386-F1394 HydrophobicContact CB-CG 4.05Å; M1387-F1394 VanDerWaalsContact C-CE2 3.43Å; M1387-F1394 WeakPolarHBondContact O-CD2 3.34Å; M1387-F1394 WeakPolarHBondContact O-CE2 3.03Å; T1388-F1394 VanDerWaalsContact N-CD2 3.3Å
1395V29.1Very low33.2Very low86 Ų86124.8 Ų124.852%0.52166%0.661SS.*  161.4119.2128.61590000114A1386 M1387A1386-V1395 HydrophobicContact CB-CG2 4.14Å; A1386-V1395 WeakPolarHBondContact O-CG2 3.02Å; M1387-V1395 HydrophobicContact CE-CG2 4.01Å; M1387-V1395 HydrophobicContact CG-CG2 4.16Å
1396K31.5Very low33.2Very low168 Ų168121.3 Ų121.373%0.7365%0.652SS**  trans56.4165.8155-74.9179.6179.1174.60120.9
1397P38.5Very low33.6Very low83 Ų83127.6 Ų127.654%0.53968%0.68SS.*  trans-128165.4-163.842.4-28.4000116
1398Q29.6Very low33.6Very low166 Ų166131.2 Ų131.278%0.77670%0.696SS**  167.1150.5127.3-100.1-177.9-42.100114.2
1399F30Very low34.1Very low166 Ų166137.9 Ų137.973%0.72871%0.711SS**  trans49.8139.7151.7-78.9-76.1000124.6
1400E35Very low34.5Very low132 Ų132139.2 Ų139.262%0.61771%0.714SS**  trans77.4118.4141-84.4170.8154.600125.1
1401Q32.8Very low34.2Very low112 Ų112132.7 Ų132.752%0.52371%0.707SS.*  75103.6129.7-77.5177.612.800122.3V1422Q1401-V1422 PolarHBondContact O-N 3.06Å
1402A31.6Very low34.1Very low59 Ų59133.5 Ų133.549%0.48871%0.707SS.*  87.6163.6109.300000119.7K1421 V1422 T1423A1402-K1421 CarbonylContact O-C 3.47Å; A1402-V1422 PolarHBondContact O-N 2.8Å; A1402-T1423 HydrophobicContact CB-CG2 4.2Å
1403A37.8Very low34.1Very low78 Ų78136.5 Ų136.565%0.64571%0.707SS**  trans81.5149.8-170.900000115.2
1404E37.2Very low34.1Very low193 Ų193138.8 Ų138.890%0.90272%0.72SS**  trans-112.4-175.6-169.7-66174.8102.400111.3
1405E37.7Very low34.1Very low193 Ų193137.8 Ų137.890%0.90272%0.724SS**  trans81.1127.7-172.6-55.1-171170.600115.8
1406S36Very low34.3Very low99 Ų99138.7 Ų138.769%0.69273%0.731SS**  cis-154.6172.8-17.362.10000110.9
1407I36.8Very low34.4Very low156 Ų156139.8 Ų139.880%0.874%0.736SS**  trans63.592.2170.3-49174.5000116.4
1408Q33.5Very low34.3Very low195 Ų195141 Ų14191%0.91175%0.753SS**  trans-93.191.6161.6-72.2-169.312.800112.4
1409R41.4Very low34.3Very low225 Ų225136.5 Ų136.585%0.84975%0.752SS**SBendtrans-174.6121.1141.7-108.2170.2-170.6-160.44.4113.3
1410K40.2Very low34.6Very low206 Ų206133.4 Ų133.490%0.89676%0.757SS**  trans44.974.9151-63-172.4174.9-173.80117.6
1411G32.2Very low34.4Very low74 Ų74134.1 Ų134.176%0.76376%0.758SS**PPolyproline II helix-82.2138.5123.900000108.8
1412T32.3Very low34.4Very low136 Ų136132.2 Ų132.283%0.83475%0.754SS**PPolyproline II helixtrans-67.2143.5149.9390000108.1
1413E30.3Very low34.3Very low145 Ų145133 Ų13368%0.67875%0.752SS**PPolyproline II helixtrans-51.3143.7166.9-94.8-162.4-158.200110.5T1415E1413-T1415 VanDerWaalsContact OE2-CB 3.28Å; E1413-T1415 WeakPolarHBondContact OE2-CB 3.23Å; E1413-T1415 VanDerWaalsContact OE2-CG2 3.29Å; E1413-T1415 WeakPolarHBondContact OE2-CG2 3.35Å; E1413-T1415 PolarHBondContact OE2-N 3.3Å; E1413-T1415 VanDerWaalsContact OE2-N 3.16Å; E1413-T1415 PolarHBondContact OE2-OG1 3.01Å
1414P31.2Very low34Very low127 Ų127135 Ų13583%0.82576%0.756SS**PPolyproline II helix-97.9140.674.829.2-36.2000115.7
1415T31.1Very low33.8Very low94 Ų94132 Ų13258%0.57775%0.751SS**PPolyproline II helixtrans-50.2160.9160.1-1.60000111.7E1413E1413-T1415 VanDerWaalsContact OE2-CB 3.28Å; E1413-T1415 WeakPolarHBondContact OE2-CB 3.23Å; E1413-T1415 VanDerWaalsContact OE2-CG2 3.29Å; E1413-T1415 WeakPolarHBondContact OE2-CG2 3.35Å; E1413-T1415 PolarHBondContact OE2-N 3.3Å; E1413-T1415 VanDerWaalsContact OE2-N 3.16Å; E1413-T1415 PolarHBondContact OE2-OG1 3.01Å
1416P34.5Very low33.5Very low105 Ų105128.8 Ų128.868%0.68275%0.747SS**  cis-143.1-174.612.137.9-15.9000117.7
1417K33.4Very low33.1Very low192 Ų192129.7 Ų129.784%0.83575%0.749SS**  trans91.895.4158.5-62.2179.1179.9-178.30120.2
1418A35.7Very low33Very low107 Ų107133.6 Ų133.688%0.88475%0.753SS**  45.8122.2112.400000122.2
1419G29.6Very low32.7Very low73 Ų73129.7 Ų129.775%0.75375%0.745SS**  133.7140.5107.600000118.8
1420A35.8Very low32Very low101 Ų101125.5 Ų125.584%0.83574%0.738SS**  trans68.1160157.300000119.4
1421K31.5Very low31.4Very low147 Ų147123.7 Ų123.764%0.63973%0.733SS**  cis-179.2153.1-45-117.3-166.9170.4-166.90110.5A1402A1402-K1421 CarbonylContact O-C 3.47Å
1422V32.8Very low31.6Very low72 Ų72125.2 Ų125.244%0.43673%0.729SS.*  trans60.593140.9177.40000119.5Q1401 A1402Q1401-V1422 PolarHBondContact O-N 3.06Å; A1402-V1422 PolarHBondContact O-N 2.8Å
1423T29Very low31.4Very low75 Ų75124.1 Ų124.146%0.4672%0.722SS.*  49.7150.1127.465.60000125.5A1402A1402-T1423 HydrophobicContact CB-CG2 4.2Å
1424T32.3Very low31.3Very low119 Ų119121.9 Ų121.973%0.7372%0.719SS**  trans76.691.7146.740.10000121.6
1425V32.2Very low31.3Very low132 Ų132126.4 Ų126.480%0.872%0.721SS**  31117.2113-1790000116.9
1426P31.5Very low31.3Very low125 Ų125124.8 Ų124.881%0.81272%0.723SS**  -135.4155.7106.238-29.3000115.4
1427T27.9Very low31.2Very low118 Ų118127 Ų12772%0.72473%0.728SS**  trans-84.4139.9176.948.40000113.6
1428R34.8Very low30.9Very low238 Ų238123.2 Ų123.290%0.89872%0.717SS**  trans56.7134.7146.9-68.9-179.9173179.9-2117.8
1429P27.8Very low30.7Very low112 Ų112127.8 Ų127.873%0.72771%0.713SS**  -150.7164.685.539.5-21.7000117.4
1430L26Very low30.8Very low137 Ų137127.8 Ų127.872%0.71771%0.706SS**  trans37.7112.2136.5-58173.4000118.7
1431Q28.6Very low30.3Very low168 Ų168128.5 Ų128.579%0.78571%0.705SS**  78.4168.485.8-83.4-175.4-5.500114.3
1432P35.6Very low30.5Very low106 Ų106126.3 Ų126.369%0.68871%0.706SS**  cis-126.4-150.4-16.122.43.4000111.2
1433V29.1Very low30.2Very low113 Ų113132.7 Ų132.769%0.68573%0.727SS**  trans73.895.3159.1-177.80000114.1
1434T27.7Very low30.3Very low98 Ų98136 Ų13660%0.60174%0.741SS**  46.8129.971.572.60000112.8
1435Y31Very low30.3Very low222 Ų222133.6 Ų133.687%0.87173%0.729SS**  cis-145.5162.637.6-58-98.8000109
1436G31.1Very low30.2Very low60 Ų60135 Ų13562%0.61973%0.731SS**  cis167-162.90.600000109.4
1437L31Very low30.1Very low152 Ų152140.9 Ų140.980%0.79674%0.737SS**  trans66.3106167.6-50.8173.7000114.2
1438D28.8Very low30.1Very low113 Ų113138.3 Ų138.360%0.60473%0.734SS**  98.1132.576.9-81.43.7000110
1439Y30.3Very low30Very low203 Ų203134.3 Ų134.380%0.79673%0.729SS**  cis-136160.22.2-104.8-77.9000112.2
1440A32Very low30.2Very low73 Ų73137.9 Ų137.960%0.60374%0.736SS**  trans33.9109.4149.300000119.6P1442A1440-P1442 WeakPolarHBondContact O-CD 2.96Å
1441S24.9Very low30.6Very low115 Ų115137.7 Ų137.780%0.80473%0.731SS**  -70.1118.1126.744.50000107.3K1443S1441-K1443 PolarHBondContact O-N 3.29Å
1442P35.5Very low30.7Very low102 Ų102138.2 Ų138.266%0.66273%0.731SS**  trans-72.297.7-178.627.7-33.3000109.8A1440 I1444A1440-P1442 WeakPolarHBondContact O-CD 2.96Å; P1442-I1444 HydrophobicContact CB-CG1 4.32Å; P1442-I1444 PolarHBondContact O-N 2.96Å
1443K26.5Very low30.6Very low205 Ų205141.1 Ų141.189%0.89173%0.733SS**  trans-6571.6153.7-79.4-174.6175.9176.90109.3S1441 S1445S1441-K1443 PolarHBondContact O-N 3.29Å; K1443-S1445 PolarHBondContact O-N 3.43Å
1444I30.8Very low30.8Very low145 Ų145146.6 Ų146.674%0.74474%0.742SS**  trans-77.780.5155.5-62.3176.4000106.3P1442P1442-I1444 HydrophobicContact CB-CG1 4.32Å; P1442-I1444 PolarHBondContact O-N 2.96Å
1445S33.2Very low31.1Very low69 Ų69149.3 Ų149.348%0.48375%0.751SS.*  18.9112.7129.854.20000116.1K1443K1443-S1445 PolarHBondContact O-N 3.43Å
1446L30.3Very low31.2Very low160 Ų160144.8 Ų144.884%0.83874%0.742SS**SBend-48.5142.3128.6-7777.7000106.9
1447W30.2Very low31.4Very low250 Ų250150.8 Ų150.895%0.94775%0.751SS**  trans79.979-165.2-51.989.9000114
1448G26.3Very low31.8Very low63 Ų63152.1 Ų152.165%0.64975%0.75SS**  trans-171.590.5168.900000112.2
1449L34.3Very low32.1Very low154 Ų154153.8 Ų153.881%0.80676%0.759SS**  trans46.5107.6166.5-55.8171.2000116.1E1451L1449-E1451 VanDerWaalsContact C-N 3.34Å
1450H30.4Very low32.3Very low187 Ų187147.6 Ų147.687%0.86676%0.758SS**  cis63.219.326.6-123.3-68.7000116.9
1451E34.8Very low32.6Very low133 Ų133150.9 Ų150.962%0.62176%0.764SS**  trans-99.8115154.3-76.2-138146.500111.3L1449 K1453L1449-E1451 VanDerWaalsContact C-N 3.34Å; E1451-K1453 PolarHBondContact O-N 2.98Å; E1451-K1453 WeakPolarHBondContact OE2-CE 2.89Å; E1451-K1453 IonicContact OE2-NZ 2.8Å; E1451-K1453 PolarHBondContact OE2-NZ 3.02Å; E1451-K1453 VanDerWaalsContact OE2-NZ 3.12Å
1452K30.4Very low33.1Very low179 Ų179156.4 Ų156.478%0.77877%0.767SS**  trans-82.197.7168.1-72.4178.2178.3175.30109.7
1453K34.6Very low33.1Very low167 Ų167161 Ų16173%0.72678%0.78SS**  trans-99.6105.7159.4-72.7178.8-176.7159.80108.9E1451 I1455E1451-K1453 PolarHBondContact O-N 2.98Å; E1451-K1453 WeakPolarHBondContact OE2-CE 2.89Å; E1451-K1453 IonicContact OE2-NZ 2.8Å; E1451-K1453 PolarHBondContact OE2-NZ 3.02Å; E1451-K1453 VanDerWaalsContact OE2-NZ 3.12Å; K1453-I1455 PolarHBondContact O-N 3.28Å
1454W32.3Very low33.3Very low229 Ų229155.7 Ų155.787%0.86778%0.775SS**PPolyproline II helixtrans-69.2124.8170.9-76.642.7000108.2
1455I34.5Very low33.2Very low155 Ų155152.6 Ų152.680%0.79577%0.771SS**PPolyproline II helixtrans-88.3129.3164.9-62.7178.9000107.1K1453K1453-I1455 PolarHBondContact O-N 3.28Å
1456D33.8Very low33Very low127 Ų127157.1 Ų157.168%0.67979%0.788SS**PPolyproline II helixtrans-71.7130.1-167.2-152.3-23.5000111.8K1458D1456-K1458 PolarHBondContact O-N 3.22Å
1457F35.4Very low32.9Very low185 Ų185158.7 Ų158.781%0.81179%0.791SS**THydrogen-bonded Turntrans-72.410.5-166.5-100-87.7000115.1
1458K38.3Very low32.8Very low180 Ų180152.2 Ų152.278%0.78378%0.78SS**THydrogen-bonded Turntrans-88.4-23.1-174.3-76.7-178.4174.61740115.8D1456D1456-K1458 PolarHBondContact O-N 3.22Å
1459N35.6Very low32.8Very low148 Ų148158 Ų15879%0.79179%0.787SS**SBendtrans-106.8-18.8-174.5-72.3-5.4000114.9L1461N1459-L1461 VanDerWaalsContact C-N 3.26Å; N1459-L1461 PolarHBondContact O-N 3.02Å; N1459-L1461 VanDerWaalsContact O-N 3.08Å
1460G34.5Very low32.5Very low74 Ų74155.2 Ų155.276%0.76379%0.786SS**THydrogen-bonded Turntrans-74.77.8-170.900000117.7
1461L38.2Very low32.4Very low141 Ų141152.5 Ų152.574%0.73878%0.782SS**THydrogen-bonded Turntrans-110.75.8-170.7-90169.1000115.7N1459N1459-L1461 VanDerWaalsContact C-N 3.26Å; N1459-L1461 PolarHBondContact O-N 3.02Å; N1459-L1461 VanDerWaalsContact O-N 3.08Å
1462R35.5Very low32.3Very low231 Ų231152.5 Ų152.587%0.87279%0.792SS**SBendtrans-92.5-24.4-178-86-170172.5-173.80.6116.3
1463E35.6Very low32.3Very low199 Ų199149.1 Ų149.193%0.9379%0.79SS**THydrogen-bonded Turntrans-86.5-17.6-174.3-60.8-170.5140.400113.7A1465E1463-A1465 PolarHBondContact O-N 3.4Å
1464A31.3Very low32.7Very low94 Ų94146.9 Ų146.978%0.77779%0.793SS**THydrogen-bonded Turntrans-85.53.3-17300000115.6
1465A28.8Very low32.9Very low80 Ų80141.3 Ų141.366%0.66179%0.787SS**SBendtrans-144.238.2-159.600000116.8E1463E1463-A1465 PolarHBondContact O-N 3.4Å
1466L28.9Very low32.7Very low163 Ų163146.1 Ų146.185%0.85380%0.795SS**SBendtrans-150.836.8176.5-124.8177.6000118.2
1467Q28Very low32.8Very low193 Ų193147.9 Ų147.990%0.90280%0.796SS**  trans-148.348.8172.8-137.5174.143.300118.1
1468T26.5Very low32.5Very low114 Ų114143.3 Ų143.370%0.69979%0.793SS**  trans-144146.3165.763.80000109.6
1469F27.7Very low32.3Very low186 Ų186142 Ų14282%0.81679%0.79SS**  cis-142.2165.6-0.8-78-70.9000111.2
1470A27.9Very low32.1Very low94 Ų94141 Ų14178%0.77779%0.789SS**  trans132.194157.900000110.4
1471V27Very low32Very low130 Ų130142.8 Ų142.879%0.78878%0.781SS**  cis73.663.732.4-163.30000114.6
1472T34.5Very low32Very low134 Ų134143.2 Ų143.282%0.82278%0.777SS**  trans-155.2124.3149.551.20000108.8
1473S29.9Very low31.9Very low107 Ų107142 Ų14275%0.74878%0.778SS**  cis-162.1161.3-17.936.80000108.9
1474P42.2Very low31.9Very low121 Ų121140.2 Ų140.279%0.78677%0.767SS**  trans-70.1-176.8-178.6-15.132.5000112.9
1475P36.3Very low32.1Very low112 Ų112142.8 Ų142.873%0.72777%0.772SS**  cis-152.6110.332.437.3-12.2000117.3
1476W31.8Very low32.5Very low255 Ų255145.9 Ų145.997%0.96677%0.773SS**SBendtrans-116.8101.3176.4-72.439.7000111
1477K35.9Very low33Very low164 Ų164145.6 Ų145.671%0.71377%0.773SS**  trans41.296.3169.9-71.6-176.4163.8-159.50117.5E1479K1477-E1479 HydrophobicContact CB-CG 4.48Å; K1477-E1479 HydrophobicContact CD-CG 4.15Å; K1477-E1479 IonicContact NZ-OE1 3.08Å; K1477-E1479 PolarHBondContact NZ-OE1 2.82Å
1478A28.4Very low33.3Very low90 Ų90145.4 Ų145.474%0.74477%0.769SS**  -64.8123.5121.900000108.5V1480A1478-V1480 VanDerWaalsContact C-N 3.29Å; A1478-V1480 HydrophobicContact CB-CG2 4.44Å; A1478-V1480 PolarHBondContact O-N 2.92Å; A1478-V1480 VanDerWaalsContact O-N 3.1Å
1479E33.9Very low33.6Very low152 Ų152145.9 Ų145.971%0.7177%0.771SS**  trans-8083.4162.9-84.2-172.3164.200109.9K1477 D1481K1477-E1479 HydrophobicContact CB-CG 4.48Å; K1477-E1479 HydrophobicContact CD-CG 4.15Å; K1477-E1479 IonicContact NZ-OE1 3.08Å; K1477-E1479 PolarHBondContact NZ-OE1 2.82Å; E1479-D1481 PolarHBondContact O-N 3.15Å
1480V31.2Very low33.9Very low127 Ų127144.4 Ų144.477%0.7777%0.772SS**  trans-77.294.1157.7177.70000107.5A1478A1478-V1480 VanDerWaalsContact C-N 3.29Å; A1478-V1480 HydrophobicContact CB-CG2 4.44Å; A1478-V1480 PolarHBondContact O-N 2.92Å; A1478-V1480 VanDerWaalsContact O-N 3.1Å
1481D32.7Very low33.9Very low112 Ų112144.3 Ų144.360%0.59977%0.771SS**  trans-129.981.2167-127.660.3000113.5E1479E1479-D1481 PolarHBondContact O-N 3.15Å
1482K37.7Very low34.2Very low149 Ų149143.8 Ų143.865%0.64877%0.77SS**  trans62.7123.7140.5-56.3155.7-158.21430115.8
1483K32.9Very low34.1Very low207 Ų207142.3 Ų142.390%0.977%0.766SS**  -129.4116.359.8-70.8168.8-173.5165.40114.4
1484K36.9Very low34.1Very low161 Ų161144.4 Ų144.470%0.777%0.774SS**  trans7.2124.9145.6-57.6-178.9175.1-168.60118.3
1485V34.7Very low33.5Very low147 Ų147143.4 Ų143.489%0.89177%0.77SS**  -132.4126.3105.5178.50000108.4
1486E37.4Very low33.3Very low145 Ų145145 Ų14568%0.67877%0.772SS**  trans-105.5132.5166.3-62.6164102.500107.8
1487N39.1Very low33.6Very low157 Ų157141.3 Ų141.384%0.8477%0.771SS**  -177.2166.3117.3-100-63.9000113.3
1488K35Very low33.5Very low190 Ų190137.7 Ų137.783%0.82676%0.758SS**  trans-91.6154.6-169.6-54.9164.2-175.7172.70111.5
1489V33.5Very low33.8Very low124 Ų124136.4 Ų136.475%0.75274%0.744SS**  180129.9111.2149.70000110.1
1490N33.6Very low34.1Very low155 Ų155134 Ų13483%0.82974%0.742SS**  trans49.4121.2163.8-59-1.8000120.8
1491A27.6Very low34.6Very low92 Ų92136.5 Ų136.576%0.7674%0.742SS**  trans-90.4176.6164.300000111.1
1492P33.8Very low35.5Very low118 Ų118135.2 Ų135.277%0.76674%0.736SS**  -135.2163.98138.9-27.8000116.2
1493S31.2Very low35.9Very low104 Ų104132.8 Ų132.873%0.72773%0.729SS**  trans47.587.2157.358.60000119.2
1494T30.9Very low36.6Very low150 Ų150126.2 Ų126.292%0.9271%0.713SS**  trans-90.6116.214838.10000110.1
1495S29.9Very low37Very low101 Ų101120.5 Ų120.571%0.70670%0.7SS**  trans-156.961174.964.40000113.7
1496D31.8Very low38.3Very low144 Ų144119.2 Ų119.277%0.7768%0.683SS**  trans-159.267.7156.3-103.4-28000112.2
1497L36.7Very low39.1Very low179 Ų179118.8 Ų118.894%0.93768%0.679SS**  trans-125.984.7157.8-84.7173.6000108.2S1499L1497-S1499 PolarHBondContact O-N 3.18Å; L1497-S1499 VanDerWaalsContact O-N 3.15Å
1498I35.1Very low40.2Very low87 Ų87117 Ų11745%0.44667%0.668SS.*  trans-71.4105.7178.4-63.9177.5000108.5N1502 L1503I1498-N1502 HydrophobicContact CG2-CB 4.19Å; I1498-L1503 HydrophobicContact CG2-CD1 4.29Å; I1498-L1503 HydrophobicContact CG2-CG 4.08Å
1499S35.2Very low41.7Very low63 Ų63114.4 Ų114.444%0.44166%0.659SS.*  trans-51.9136.1165168.50000109.8L1497 F1501 N1502L1497-S1499 PolarHBondContact O-N 3.18Å; L1497-S1499 VanDerWaalsContact O-N 3.15Å; S1499-F1501 PolarHBondContact O-N 2.99Å; S1499-N1502 VanDerWaalsContact O-CB 3.26Å; S1499-N1502 WeakPolarHBondContact O-CB 3.23Å; S1499-N1502 PolarHBondContact O-N 3.23Å
1500P38.9Very low42.9Very low103 Ų103111.3 Ų111.367%0.66965%0.647SS**Hα-helixtrans-58.3-27.8-173.920.7-32.4000113.6N1502 L1503P1500-N1502 VanDerWaalsContact C-N 3.26Å; P1500-N1502 PolarHBondContact O-N 3.44Å; P1500-L1503 PolarHBondContact O-N 3.25Å
1501F41.9Very low44.4Very low178 Ų178110.8 Ų110.878%0.78164%0.637SS**Hα-helixtrans-68-22.4174.9-69.8-84.1000114S1499S1499-F1501 PolarHBondContact O-N 2.99Å
1502N51Low46.1Very low86 Ų86110.5 Ų110.546%0.4662%0.623SS.*Hα-helixtrans-81.3-20.9-178.9-148.7-14.5000112.1I1498 S1499 P1500 K1506I1498-N1502 HydrophobicContact CG2-CB 4.19Å; S1499-N1502 VanDerWaalsContact O-CB 3.26Å; S1499-N1502 WeakPolarHBondContact O-CB 3.23Å; S1499-N1502 PolarHBondContact O-N 3.23Å; P1500-N1502 VanDerWaalsContact C-N 3.26Å; P1500-N1502 PolarHBondContact O-N 3.44Å; N1502-K1506 WeakPolarHBondContact O-CB 3.16Å; N1502-K1506 WeakPolarHBondContact O-CG 2.9Å; N1502-K1506 PolarHBondContact O-N 2.9Å; N1502-K1506 VanDerWaalsContact O-N 3.17Å
1503L47.2Very low47.3Very low98 Ų98107.2 Ų107.251%0.51361%0.605SS.*Hα-helixtrans-72.5-46.2175.5-112.6164.1000111.8I1498 P1500 G1505 K1506 F1507I1498-L1503 HydrophobicContact CG2-CD1 4.29Å; I1498-L1503 HydrophobicContact CG2-CG 4.08Å; P1500-L1503 PolarHBondContact O-N 3.25Å; L1503-G1505 PolarHBondContact O-N 2.83Å; L1503-K1506 PolarHBondContact O-N 2.57Å; L1503-F1507 PolarHBondContact O-N 3.01Å
1504A47.8Very low48.2Very low69 Ų69104 Ų10457%0.5758%0.582SS**Hα-helixtrans-60.8-44.7176.200000111.9F1507 L1508A1504-F1507 PolarHBondContact O-N 2.7Å; A1504-L1508 PolarHBondContact O-N 2.92Å
1505G45.1Very low49.6Very low41 Ų41104.2 Ų104.242%0.42357%0.571SS.*Hα-helixtrans-59-47.4175.900000112.9L1503 L1508 Q1509L1503-G1505 PolarHBondContact O-N 2.83Å; G1505-L1508 PolarHBondContact O-N 3.32Å; G1505-Q1509 WeakPolarHBondContact O-CB 2.92Å; G1505-Q1509 PolarHBondContact O-N 3.49Å
1506K62.1Low50.7Low120 Ų120107.5 Ų107.552%0.52257%0.573SS.*Hα-helixtrans-66-36.3176.9-75.6-175.7177.1-173.90113.2N1502 L1503 Q1509 A1510N1502-K1506 WeakPolarHBondContact O-CB 3.16Å; N1502-K1506 WeakPolarHBondContact O-CG 2.9Å; N1502-K1506 PolarHBondContact O-N 2.9Å; N1502-K1506 VanDerWaalsContact O-N 3.17Å; L1503-K1506 PolarHBondContact O-N 2.57Å; K1506-Q1509 PolarHBondContact O-N 3.19Å; K1506-A1510 VanDerWaalsContact O-CB 3.31Å; K1506-A1510 WeakPolarHBondContact O-CB 3.36Å; K1506-A1510 PolarHBondContact O-N 2.69Å
1507F54.8Low51.9Low135 Ų135106.2 Ų106.259%0.59256%0.562SS**Hα-helixtrans-66.4-38.6175.7-125.3-77000112.2L1503 A1504 K1511L1503-F1507 PolarHBondContact O-N 3.01Å; A1504-F1507 PolarHBondContact O-N 2.7Å; F1507-K1511 PolarHBondContact O-N 3.34Å
1508L60.6Low51.9Low119 Ų119101 Ų10162%0.62355%0.551SS**Hα-helixtrans-67.6-43.6174.6-152.6101.5000111.1A1504 G1505 A1510 K1511 L1512A1504-L1508 PolarHBondContact O-N 2.92Å; G1505-L1508 PolarHBondContact O-N 3.32Å; L1508-A1510 PolarHBondContact O-N 2.76Å; L1508-K1511 PolarHBondContact O-N 3.09Å; L1508-L1512 HydrophobicContact CD2-CD1 4.02Å; L1508-L1512 HydrophobicContact CG-CD1 4.42Å; L1508-L1512 WeakPolarHBondContact O-CB 3.46Å; L1508-L1512 WeakPolarHBondContact O-CG 3.36Å; L1508-L1512 PolarHBondContact O-N 2.87Å
1509Q66.7Low52.4Low136 Ų136103.3 Ų103.364%0.63656%0.558SS**Hα-helixtrans-62.9-40.2176.9-169.4175.413.400112.2G1505 K1506 L1512 A1513G1505-Q1509 WeakPolarHBondContact O-CB 2.92Å; G1505-Q1509 PolarHBondContact O-N 3.49Å; K1506-Q1509 PolarHBondContact O-N 3.19Å; Q1509-L1512 PolarHBondContact O-N 2.83Å; Q1509-A1513 WeakPolarHBondContact O-CB 3.25Å; Q1509-A1513 PolarHBondContact O-N 3.48Å
1510A58.4Low52.8Low60 Ų60105.7 Ų105.750%0.49657%0.573SS.*Hα-helixtrans-66.4-43.2175.700000112.4K1506 L1508 A1513 S1514K1506-A1510 VanDerWaalsContact O-CB 3.31Å; K1506-A1510 WeakPolarHBondContact O-CB 3.36Å; K1506-A1510 PolarHBondContact O-N 2.69Å; L1508-A1510 PolarHBondContact O-N 2.76Å; A1510-A1513 PolarHBondContact O-N 2.82Å; A1510-S1514 PolarHBondContact O-N 3.49Å; A1510-S1514 PolarHBondContact O-OG 2.85Å
1511K65.8Low52.7Low143 Ų143106.9 Ų106.962%0.62257%0.573SS**Hα-helixtrans-66-36.3174.9-77.7-169.6173-171.70112.9F1507 L1508 S1514 F1515F1507-K1511 PolarHBondContact O-N 3.34Å; L1508-K1511 PolarHBondContact O-N 3.09Å; K1511-S1514 PolarHBondContact O-OG 2.88Å; K1511-F1515 PolarHBondContact O-N 2.62Å
1512L62.8Low52.6Low87 Ų87104.7 Ų104.746%0.45557%0.568SS.*Hα-helixtrans-69.7-40.3174.3-71.8170.3000111.4L1508 Q1509 S1514 F1515 F1516L1508-L1512 HydrophobicContact CD2-CD1 4.02Å; L1508-L1512 HydrophobicContact CG-CD1 4.42Å; L1508-L1512 WeakPolarHBondContact O-CB 3.46Å; L1508-L1512 WeakPolarHBondContact O-CG 3.36Å; L1508-L1512 PolarHBondContact O-N 2.87Å; Q1509-L1512 PolarHBondContact O-N 2.83Å; L1512-S1514 PolarHBondContact O-N 3.33Å; L1512-F1515 WeakPolarHBondContact O-CB 3.03Å; L1512-F1515 PolarHBondContact O-N 2.73Å; L1512-F1516 WeakPolarHBondContact O-CD2 3.02Å; L1512-F1516 PolarHBondContact O-N 2.88Å
1513A60.7Low51.9Low49 Ų49104.9 Ų104.941%0.40558%0.582SS.*Hα-helixtrans-59.7-46174.700000112Q1509 A1510 F1515 F1516 E1517Q1509-A1513 WeakPolarHBondContact O-CB 3.25Å; Q1509-A1513 PolarHBondContact O-N 3.48Å; A1510-A1513 PolarHBondContact O-N 2.82Å; A1513-F1515 PolarHBondContact O-N 2.63Å; A1513-F1516 PolarHBondContact O-N 2.68Å; A1513-E1517 PolarHBondContact O-N 3.48Å
1514S50.1Low51.1Low35 Ų35107 Ų10725%0.24559%0.594CS.*Hα-helixtrans-63.6-30.1176.2650000113.2A1510 K1511 L1512A1510-S1514 PolarHBondContact O-N 3.49Å; A1510-S1514 PolarHBondContact O-OG 2.85Å; K1511-S1514 PolarHBondContact O-OG 2.88Å; L1512-S1514 PolarHBondContact O-N 3.33Å
1515F58.9Low50.7Low155 Ų155112.1 Ų112.168%0.6861%0.606SS**Hα-helixtrans-72.1-33.7175.3-152.3-91000113K1511 L1512 A1513K1511-F1515 PolarHBondContact O-N 2.62Å; L1512-F1515 WeakPolarHBondContact O-CB 3.03Å; L1512-F1515 PolarHBondContact O-N 2.73Å; A1513-F1515 PolarHBondContact O-N 2.63Å
1516F53.1Low50.1Low170 Ų170119.4 Ų119.475%0.74663%0.629SS**Hα-helixtrans-85.7-17.9177.5-72.2-63.1000114.4L1512 A1513 G1518L1512-F1516 WeakPolarHBondContact O-CD2 3.02Å; L1512-F1516 PolarHBondContact O-N 2.88Å; A1513-F1516 PolarHBondContact O-N 2.68Å; F1516-G1518 PolarHBondContact O-N 2.94Å
1517E56.4Low48.9Very low117 Ų117119.4 Ų119.455%0.54764%0.639SS.*THydrogen-bonded Turntrans-76.7-2.7172.7-77.4-169.5-175.500114.3A1513 K1519A1513-E1517 PolarHBondContact O-N 3.48Å; E1517-K1519 HydrophobicContact CB-CD 4.33Å; E1517-K1519 PolarHBondContact O-N 3.29Å; E1517-K1519 VanDerWaalsContact O-N 3.15Å; E1517-K1519 WeakPolarHBondContact OE2-CE 3.33Å; E1517-K1519 IonicContact OE2-NZ 2.99Å; E1517-K1519 PolarHBondContact OE2-NZ 2.71Å
1518G36.7Very low47.7Very low69 Ų69121.1 Ų121.171%0.71166%0.655SS**THydrogen-bonded Turntrans68.312.4172.900000115.5F1516F1516-G1518 PolarHBondContact O-N 2.94Å
1519K45.6Very low46.5Very low136 Ų136126.4 Ų126.459%0.59167%0.666SS**  trans-84127.9178.2-67.3165.3-175.6167.20109.5E1517 L1521E1517-K1519 HydrophobicContact CB-CD 4.33Å; E1517-K1519 PolarHBondContact O-N 3.29Å; E1517-K1519 VanDerWaalsContact O-N 3.15Å; E1517-K1519 WeakPolarHBondContact OE2-CE 3.33Å; E1517-K1519 IonicContact OE2-NZ 2.99Å; E1517-K1519 PolarHBondContact OE2-NZ 2.71Å; K1519-L1521 PolarHBondContact O-N 3.34Å
1520P43.6Very low45Very low114 Ų114127.1 Ų127.174%0.7467%0.673SS**  trans-65.5121.6-179.625.8-33000110.7L1522P1520-L1522 PolarHBondContact O-N 3.41Å
1521L36.6Very low44Very low128 Ų128130 Ų13067%0.6769%0.686SS**SBendtrans-79.159.2174.3-75.6168.1000111.2K1519K1519-L1521 PolarHBondContact O-N 3.34Å
1522L40.8Very low42.3Very low131 Ų131131.6 Ų131.669%0.68670%0.696SS**  trans179.7108.3157.6-99.4158.8000107.8P1520 D1524P1520-L1522 PolarHBondContact O-N 3.41Å; L1522-D1524 VanDerWaalsContact CD2-OD1 3.28Å; L1522-D1524 WeakPolarHBondContact CD2-OD1 3.28Å; L1522-D1524 WeakPolarHBondContact CD2-OD2 3.08Å
1523A35.7Very low40.9Very low90 Ų90133 Ų13374%0.74471%0.71SS**  trans-118.591.6159.100000105.9E1525A1523-E1525 PolarHBondContact O-N 2.8Å
1524D31.5Very low39.7Very low144 Ų144140.3 Ų140.377%0.7773%0.733SS**  trans-75.581.7171-68.3-40.4000108.4L1522L1522-D1524 VanDerWaalsContact CD2-OD1 3.28Å; L1522-D1524 WeakPolarHBondContact CD2-OD1 3.28Å; L1522-D1524 WeakPolarHBondContact CD2-OD2 3.08Å
1525E39.1Very low39Very low175 Ų175144.3 Ų144.382%0.81876%0.758SS**  trans-106.5102.8161.1-80.8-164.8134.500109.6A1523 T1527A1523-E1525 PolarHBondContact O-N 2.8Å; E1525-T1527 PolarHBondContact O-N 2.73Å
1526E31.3Very low37.6Very low195 Ų195142.9 Ų142.991%0.91176%0.763SS**  trans-64.3113.9162.8-64.3177.2115.800109.4
1527T38.5Very low36.6Very low119 Ų119142 Ų14273%0.7377%0.765SS**  trans-152.185.9157.423.90000111.6E1525 R1529E1525-T1527 PolarHBondContact O-N 2.73Å; T1527-R1529 PolarHBondContact O-N 2.76Å
1528D28.9Very low35.3Very low172 Ų172144 Ų14492%0.9277%0.767SS**  trans11.464.8155.1-65.9-43.7000118.8
1529R35.4Very low35.3Very low229 Ų229147.4 Ų147.486%0.86477%0.774SS**  trans-135.989.8163.4-72.7-164.2171.1172.70111.7T1527 P1531T1527-R1529 PolarHBondContact O-N 2.76Å; R1529-P1531 WeakPolarHBondContact O-CD 3.18Å
1530I34.6Very low34.8Very low151 Ų151144.6 Ų144.677%0.77478%0.784SS**  trans-53.5120.9160.2-60.8170.2000107.7E1532I1530-E1532 PolarHBondContact O-N 2.78Å; I1530-E1532 VanDerWaalsContact O-N 3.09Å
1531P37.3Very low34.2Very low120 Ų120144.9 Ų144.978%0.77978%0.784SS**  trans-69.9106.8169.228.1-31.5000108.2R1529R1529-P1531 WeakPolarHBondContact O-CD 3.18Å
1532E30.8Very low34.3Very low177 Ų177145.9 Ų145.983%0.82780%0.795SS**  trans-54.5129.9-175.9-63.6-176.4140.500111.7I1530 K1534I1530-E1532 PolarHBondContact O-N 2.78Å; I1530-E1532 VanDerWaalsContact O-N 3.09Å; E1532-K1534 PolarHBondContact O-N 3Å
1533P33.3Very low34.1Very low117 Ų117147.8 Ų147.876%0.7683%0.83SS**  trans-67.8108.3172.927.8-32.6000109.1
1534K35Very low34Very low202 Ų202150.7 Ų150.788%0.87883%0.834SS**PPolyproline II helixtrans-53.7126.3179.8-77.1-174.6175.2179.30110.3E1532E1532-K1534 PolarHBondContact O-N 3Å
1535P36.1Very low34.1Very low119 Ų119151 Ų15177%0.77384%0.838SS**PPolyproline II helixtrans-74.2143.5-157.326.3-35.8000114.1L1537P1535-L1537 PolarHBondContact O-N 3.08Å
1536T29.3Very low33.9Very low126 Ų126149.7 Ų149.777%0.77384%0.839SS**PPolyproline II helixtrans-66.2116.6171-33.20000110.3R1538T1536-R1538 PolarHBondContact O-N 3.12Å
1537L32.2Very low34Very low152 Ų152147 Ų14780%0.79683%0.834SS**  trans-67.2106.5176.3-87.9164.1000112P1535P1535-L1537 PolarHBondContact O-N 3.08Å
1538R29.9Very low33.7Very low159 Ų159148.8 Ų148.860%0.684%0.841SS**  trans-142.3111.1156.3-78.2-159.9-167.8-176.96.6112.2D148 T1536D148-R1538 IonicContact OD1-CZ 3.11Å; D148-R1538 IonicContact OD1-NH1 2.78Å; D148-R1538 PolarHBondContact OD1-NH1 3.09Å; D148-R1538 IonicContact OD1-NH2 2.7Å; D148-R1538 PolarHBondContact OD1-NH2 2.76Å; D148-R1538 IonicContact OD2-CZ 3.07Å; D148-R1538 IonicContact OD2-NE 3.81Å; D148-R1538 IonicContact OD2-NH1 3.38Å; D148-R1538 PolarHBondContact OD2-NH1 2.85Å; D148-R1538 IonicContact OD2-NH2 2.64Å; D148-R1538 PolarHBondContact OD2-NH2 2.69Å; T1536-R1538 PolarHBondContact O-N 3.12Å
1539T36.5Very low34Very low140 Ų140147.2 Ų147.286%0.85984%0.836SS**  trans-154.8137.6161.648.90000105.6
1540G34.7Very low34Very low77 Ų77141.4 Ų141.479%0.79483%0.834SS**  cis-168.1161.1-6.300000108
1541T30Very low33.9Very low120 Ų120140.6 Ų140.674%0.73684%0.838SS**  trans-85149.1-168.731.70000115.1
1542T40.1Very low33.6Very low148 Ų148142.3 Ų142.391%0.90884%0.843SS**  trans-148.17715656.80000111.4
1543A35.6Very low33.9Very low171 Ų171139.2 Ų139.2100%1.41385%0.845SS**  trans-163.40157.800000108

Retrieved 1,543 of 1,543 residues in 474.5 ms (Link to these results)