A0A3Q0KSG4_SCHMA Loading...

Cell polarity protein

AlphaFold DB , UniProt , Accession A0A3Q0KSG4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,740 aa.

>A0A3Q0KSG4_SCHMA|A0A3Q0KSG4
MLHVYDTNNDDNSGHPKPSRKNQLNCHGIFVTNEDLNNSLQTLSSSVGSQKIYLKPLPNENDMLNSRKLNDKKRLPKAEHSALLPFACDVDCSTPSPPPLSARSTHNNNSYLELFPSQPTNTTATLQRNFSYSPTDSKNYTIKHTSNSTHSTVTPVNEEENNRQPSQHQKPHRQRRKQHHHHENLSSFHRHSALRQSLGGINVLTHHVNAINQDSSEPDNEISPKSCDNNVKDIRKCTPRRGDDKSTDYQSSASSSIHTNSSSKSLEDSNHRHHRHNDDVDDYRLKTFRLSNLPPWDHLNYALKPFTSNHHGSETKFKGFRLVPKVIQSEYCLPRVHIHSYNIPFQLDDIIVGVNNHKLSIMSEAVALQYVYNAFKDAEHYTVDVDILRSSLSSRKSFNNESSSTMLKQSLITRQKSDSGYSNSVEVNIPSNPHRPRRRREGGCTNYSSCEITPERSPYKNDKKEQKDRTLSIRNANLTNLSRLSLMDYPDSPNVHLKSRQMSAVDSVFRNHGVIDYDDRINTATFASSLCSNNLADSGFVTIRRPKQPSRLTIMNRDGGDVASDRFSLTSAEFHSSRDYNNNKTRNSPRHISPKVDSTDDQHLGNNRSNSRTLTPHTTGVTSPCIPRRSLNMSTKDPNAFNTRTIGQTMHIQLTKMSSTGLGFTLTSRDTQTQSSQMSDPVYVKKILPDGAAIQDGRLLAGDRLLAIDGEEVRSLNQVLSQLRSLTPGKQVDLLISRQISSDLDSNTRKSSHKHLPPRPFMTCTFEYQLPLDTTTNNQSDTIKGPPLLGINFKWSNDILLSLLSSSSPSSPQSVTGPTSPSQYSPIPGLYIDSLVPDTLVTSNNRVTVKTGDRLVAINDESVDGMNAKTIVNKLKNVIKQCHERNISSSGQSPASFTLTVHRYKNQSDRRSSVGDTLKPSSAHPPRHTKTTRDEAVEKGHPGHSKLNSPVDSHDSCSLSFKLSDNRRRLLHRSDSISSDIGSHILHHDYHGDSHSHLSSQRSDIHEDNHLLSTESSLKVNYPTSRNLSVPSNRNFLRDGFGRRSVSEKRHGHVDASHYSFFQTNILPNRYKMPEDVDKQYSTMPTTRRLKMHKARLAAAAAATTNVDSYSSIGGGGLMFNNSTSCTSSGPLKALHPLDNLLPQSLSNSSYRDPEEIDIEPQLDQPPMLRNRKQNTSFRHAVDRSLYPTSTTTTTADTTTTTAYSNSFDTNASPSSSAPPIPPHRPRSESGGRDKLSNNPKHKNSNKTKHSNPLSEKSADSILFSSSPSVYKTIDKVERPHSKSRPEIHSNNNSISVKDLKSSSHSISNNNLPTEQKPNKTGRISLKNLFRIGNSKTESDLSGDYLLHNSDQSKASSETSTVLSKKQLRRLSVPEHQFTNNLITSTKLIDKIQEKNSYSTPPPPPHSSTATTIPSSLSKLLNTTTHCMNSNIICNDSMYKTLSPNIMHNNPTNYKTISVNHPYCPPPDISPPPLPPRVSYSTPYVLTTKSNHSKMIKYHPLPEQQSNNNSTMIDKTKQNKRKKSSYSMTTSVVSSYSTNHQSLSSPRITSTASSPAYGLTFNAVEPTSNKKSNFSHDDNNNSLLANDNSRGRRRRHHHHQQDGILSESSIKPQTPAIYMNSKQIIKDCNKKSTPSPHRSRSTHARLPLNDNITTTTNTVATIMSTMNSPESIHYYQAPLISSHSVLMSTPRRHRHLQDGRKSEYYLNNRKQQVTMQEASLIVPFSMDKLITPKRSIHHQH
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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
1M27.1Very low34.1Very low219 Ų219142.5 Ų142.5100%1.07973%0.733SS**  0119.70-89.6-65.8-73.800108.1
2L30.5Very low34.2Very low156 Ų156141 Ų14182%0.81773%0.727SS**  trans17.2104.9162.7-59.3168.8000116.4
3H31.3Very low34.1Very low156 Ų156139.2 Ų139.272%0.72274%0.735SS**  cis84.6133.327.5-139.7-57000115.3
4V34.3Very low34Very low115 Ų115133.6 Ų133.670%0.69773%0.727SS**  trans103.181.9173.1-1750000117
5Y38.4Very low33.9Very low182 Ų182133.7 Ų133.771%0.71472%0.72SS**  trans47.2145.8132.4-58-72.7000122.2
6D38Very low33.7Very low128 Ų128134 Ų13468%0.68473%0.731SS**  cis171.7168-24.1-105.215.5000107.2
7T38.3Very low33.4Very low101 Ų101135.3 Ų135.362%0.6273%0.728SS**  cis-153.3166.9-8.13.40000109.2
8N33.7Very low33.9Very low135 Ų135133.8 Ų133.872%0.72273%0.727SS**  trans51.6141.6149-56.80.6000121.9
9N34.6Very low33.4Very low114 Ų114132.6 Ų132.661%0.6173%0.73SS**  cis-152.6159.6-12.2-108.333.1000108.1
10D34.5Very low33.1Very low130 Ų130131.8 Ų131.870%0.69572%0.715SS**  trans20145.3141.3-29.4-40.1000120.5
11D34.8Very low32.9Very low131 Ų131132.3 Ų132.370%0.70171%0.711SS**  cis-159.7162.417.5-153.55.3000116
12N34.5Very low33.1Very low125 Ų125126.9 Ų126.967%0.66869%0.686SS**  trans49.1117.5146-96.1-53.1000123.6
13S33.4Very low32.8Very low118 Ų118127.9 Ų127.983%0.82569%0.686SS**  trans73154.4143.184.10000119
14G32.4Very low32.8Very low61 Ų61125.6 Ų125.663%0.62968%0.679SS**  cis164.8163.3-8.600000113.3
15H32.2Very low32.4Very low135 Ų135126.4 Ų126.463%0.62568%0.68SS**  trans61.4121.2175.1-62.3-85.3000119.2K17H15-K17 HydrophobicContact CB-CB 3.85Å; H15-K17 HydrophobicContact CB-CD 3.78Å; H15-K17 HydrophobicContact CB-CG 3.68Å; H15-K17 VanDerWaalsContact CD2-CE 3.4Å; H15-K17 WeakPolarHBondContact CD2-CE 3.36Å; H15-K17 PolarHBondContact CD2-NZ 3.38Å; H15-K17 WeakPolarHBondContact NE2-CE 3.4Å; H15-K17 PolarHBondContact NE2-NZ 3.39Å; H15-K17 PolarHBondContact O-N 3.32Å
16P30.9Very low32Very low138 Ų138123.7 Ų123.790%0.89669%0.685SS**  -62.2110.1126.329.5-32.2000108.9
17K28.5Very low31.4Very low156 Ų156124.2 Ų124.268%0.67868%0.684SS**  trans-113.9140.8-177.9-121165.6-173.8169.60110.9H15H15-K17 HydrophobicContact CB-CB 3.85Å; H15-K17 HydrophobicContact CB-CD 3.78Å; H15-K17 HydrophobicContact CB-CG 3.68Å; H15-K17 VanDerWaalsContact CD2-CE 3.4Å; H15-K17 WeakPolarHBondContact CD2-CE 3.36Å; H15-K17 PolarHBondContact CD2-NZ 3.38Å; H15-K17 WeakPolarHBondContact NE2-CE 3.4Å; H15-K17 PolarHBondContact NE2-NZ 3.39Å; H15-K17 PolarHBondContact O-N 3.32Å
18P42.2Very low31Very low109 Ų109122.5 Ų122.571%0.70869%0.686SS**  trans-89.8158.6-174.235.1-36.1000114
19S25.7Very low30.6Very low111 Ų111123.4 Ų123.478%0.77669%0.69SS**  trans65.1145.5175.476.70000114.8
20R27.4Very low30.2Very low116 Ų116126.2 Ų126.244%0.43870%0.697SS.*  cis-166164.830.6-144.1149.9163.8-94.4-5.4108.9D955 C957R20-D955 IonicContact CZ-OD1 3.5Å; R20-D955 PolarHBondContact NH1-O 3.33Å; R20-D955 IonicContact NH1-OD1 3.41Å; R20-D955 PolarHBondContact NH1-OD1 2.91Å; R20-D955 IonicContact NH1-OD2 3.28Å; R20-D955 PolarHBondContact NH1-OD2 3.19Å; R20-D955 IonicContact NH2-OD1 2.67Å; R20-D955 PolarHBondContact NH2-OD1 3.13Å; R20-C957 PolarHBondContact NH2-O 2.87Å
21K28.6Very low29.8Very low142 Ų142125.6 Ų125.662%0.61770%0.697SS**  trans66.8142.1175-61-179.2-175.1176.20115D955K21-D955 WeakPolarHBondContact CE-OD2 3.43Å; K21-D955 IonicContact NZ-OD2 3.8Å; K21-D955 PolarHBondContact NZ-OD2 3.39Å
22N30.4Very low29.4Very low105 Ų105125 Ų12556%0.56170%0.698SS**  cis-133.3158.718.1-102.7-25.6000114.2Q779N22-Q779 PolarHBondContact ND2-OE1 2.87Å
23Q25.1Very low29.1Very low177 Ų177125 Ų12583%0.82770%0.699SS**  trans-77.9144.2154.3-63.7172.6-10.300108.9
24L32.1Very low28.9Very low109 Ų109129 Ų12957%0.57170%0.704SS**  trans-145.3120155.4-115.8172.8000110.5C26L24-C26 PolarHBondContact O-N 3.38Å; L24-C26 VanDerWaalsContact O-N 3.13Å
25N24.8Very low28.8Very low132 Ų132132.1 Ų132.171%0.70671%0.707SS**  trans-74.199.4178.4-80.3-34.8000110.1H27N25-H27 PolarHBondContact O-N 3.15Å; N25-H27 PolarHBondContact O-ND1 3.43Å
26C30.4Very low28.6Very low124 Ų124133.1 Ų133.184%0.83872%0.715SS**  trans-75.771.9165.5-68.90000111.3L24 G28L24-C26 PolarHBondContact O-N 3.38Å; L24-C26 VanDerWaalsContact O-N 3.13Å; C26-G28 PolarHBondContact O-N 3.32Å
27H25.8Very low28.5Very low139 Ų139133.1 Ų133.164%0.64471%0.708SS**  trans20.872.2137.8-74.774.2000116.6N25 I29N25-H27 PolarHBondContact O-N 3.15Å; N25-H27 PolarHBondContact O-ND1 3.43Å; H27-I29 PolarHBondContact O-N 2.84Å; H27-I29 VanDerWaalsContact O-N 3.11Å
28G28.7Very low28.5Very low66 Ų66133.7 Ų133.768%0.6872%0.718SS**  trans-72.696.8168.400000110.9C26 F30C26-G28 PolarHBondContact O-N 3.32Å; G28-F30 PolarHBondContact O-N 2.88Å
29I26.3Very low27.7Very low154 Ų154133.7 Ų133.779%0.7972%0.721SS**  trans-70.197.9177-58.6175000109.5H27H27-I29 PolarHBondContact O-N 2.84Å; H27-I29 VanDerWaalsContact O-N 3.11Å
30F25Very low27.8Very low173 Ų173136.2 Ų136.276%0.75973%0.725SS**  trans-126.561.7171.7-86.7-81.1000112.1G28 T32G28-F30 PolarHBondContact O-N 2.88Å; F30-T32 HydrophobicContact CD1-CG2 3.89Å; F30-T32 HydrophobicContact CE1-CG2 4.37Å; F30-T32 PolarHBondContact O-N 3.28Å
31V27.6Very low27.7Very low116 Ų116139.3 Ų139.370%0.70375%0.745SS**  trans-91.378154.8-177.30000107.8N33V31-N33 PolarHBondContact O-N 3.35Å
32T26.6Very low27.7Very low118 Ų118139.2 Ų139.272%0.72476%0.756SS**  trans-83.166.3168.952.50000110.1F30F30-T32 HydrophobicContact CD1-CG2 3.89Å; F30-T32 HydrophobicContact CE1-CG2 4.37Å; F30-T32 PolarHBondContact O-N 3.28Å
33N27.9Very low27.3Very low126 Ų126142.5 Ų142.567%0.67477%0.773SS**SBendtrans-118.2124.1153.5-87-50.2000105.6V31 D35V31-N33 PolarHBondContact O-N 3.35Å; N33-D35 PolarHBondContact O-N 2.67Å
34E27.9Very low27.4Very low202 Ų202139.9 Ų139.994%0.94477%0.774SS**  trans-68.5103.6-173.3-65.3-179.3136.200110.9L36E34-L36 PolarHBondContact O-N 3.37Å
35D30.6Very low27.3Very low127 Ų127140 Ų14068%0.67978%0.784SS**  trans-64.3104.8174.3-104.1-39.7000110N33 N37N33-D35 PolarHBondContact O-N 2.67Å; D35-N37 WeakPolarHBondContact O-CB 3.36Å; D35-N37 PolarHBondContact O-N 3.39Å
36L28.4Very low27.5Very low155 Ų155138.9 Ų138.981%0.81279%0.786SS**  31.637.7121.6-75.4170000118.6E34E34-L36 PolarHBondContact O-N 3.37Å
37N28.4Very low27.5Very low138 Ų138139.6 Ų139.674%0.73879%0.787SS**  trans-119.285.6178.2-90.7-52.8000111.6D35D35-N37 WeakPolarHBondContact O-CB 3.36Å; D35-N37 PolarHBondContact O-N 3.39Å
38N28.4Very low27.6Very low168 Ų168135.8 Ų135.890%0.89879%0.785SS**  trans-138.674.6151.8-129.7-36.5000109
39S26.7Very low27.7Very low110 Ų110138.2 Ų138.277%0.76979%0.791SS**  trans-133.838.8-179.2-172.40000111.6Q41S39-Q41 PolarHBondContact O-N 3.37Å
40L26.4Very low27.9Very low163 Ų163139.4 Ų139.485%0.85379%0.794SS**  trans-94.285.3171.2-84172.4000111.1
41Q26.2Very low27.9Very low182 Ų182141 Ų14185%0.8580%0.8SS**SBendtrans164.798.4143.4-93.6174.125.100110S39S39-Q41 PolarHBondContact O-N 3.37Å
42T27.1Very low28Very low140 Ų140141.2 Ų141.286%0.85980%0.796SS**  trans167.469.6138.434.20000112.4
43L23.7Very low28.1Very low173 Ų173144.8 Ų144.891%0.90680%0.798SS**  trans-147.9102.9153-81.6-173.7000108.4
44S26.5Very low28.2Very low122 Ų122145.6 Ų145.685%0.85380%0.801SS**  trans-148.151.3-179.765.20000112.2
45S29.3Very low28.1Very low112 Ų112145.3 Ų145.378%0.78380%0.797SS**  trans-167.9131.3167.655.10000107.7
46S28.7Very low28.1Very low108 Ų108144.7 Ų144.776%0.75580%0.8SS**  cis-153.9155.41.9-167.70000110.4
47V30.7Very low28.1Very low140 Ų140145 Ų14585%0.84880%0.801SS**  trans18.4134.8153.9-177.90000118.9
48G29.4Very low28.5Very low59 Ų59143 Ų14361%0.60880%0.796SS**  cis-171158.57.200000111.1
49S29.1Very low28.4Very low116 Ų116140.9 Ų140.981%0.81179%0.785SS**  76.978.780.2-60.90000115.5
50Q30.6Very low28.6Very low180 Ų180142.6 Ų142.684%0.84178%0.781SS**  trans-135.486.2146.9-80.7-167.5-7.200110.4
51K26.2Very low28.8Very low206 Ų206142.9 Ų142.990%0.89678%0.783SS**  trans-101.585.9150.6-102-168.4171.8-173.50107.5Y53K51-Y53 PolarHBondContact O-N 2.69Å; K51-Y53 VanDerWaalsContact O-N 3.15Å
52I28.5Very low29.1Very low120 Ų120141.3 Ų141.362%0.61578%0.78SS**  trans-57.194.4-178.6-51.7172.4000114.3
53Y28.6Very low29.3Very low194 Ų194142.3 Ų142.376%0.76178%0.777SS**  trans63.7163.4169.1-62.2-40.5000116.9K51K51-Y53 PolarHBondContact O-N 2.69Å; K51-Y53 VanDerWaalsContact O-N 3.15Å
54L30.9Very low29.6Very low142 Ų142141.4 Ų141.474%0.74377%0.773SS**  cis-142.9155.8-16-123.8163.4000108.3P56L54-P56 WeakPolarHBondContact O-CD 3.49Å
55K25.7Very low29.8Very low196 Ų196142 Ų14285%0.85277%0.766SS**  trans-75.4124.8160.2-76.8-177.6176.8-178.80108.3
56P31.4Very low29.8Very low115 Ų115141 Ų14175%0.74776%0.759SS**  trans-79.6120.4157.132.3-29.3000108.6L54L54-P56 WeakPolarHBondContact O-CD 3.49Å
57L27.5Very low30Very low160 Ų160146.3 Ų146.384%0.83876%0.763SS**  -173.2151.898-85.8173.8000107.9
58P36.1Very low30.1Very low97 Ų97148.6 Ų148.663%0.6376%0.761SS**  trans-111.3155.4-132.539.3-34.6000115.5
59N28.1Very low30.3Very low124 Ų124151.9 Ų151.966%0.66376%0.764SS**  trans47.9140.6132.5-59.651.4000120.1
60E29.6Very low30.3Very low146 Ų146153.4 Ų153.468%0.68276%0.763SS**  cis-173152.7-15.3-121.9153.7-160.500107.6
61N31.2Very low30.5Very low168 Ų168150.5 Ų150.590%0.89875%0.753SS**  trans169.7145.4130.2-90.4-42.8000110.6
62D31.6Very low30.8Very low149 Ų149147.6 Ų147.680%0.79774%0.741SS**  trans-95.8149.5-165.9-98.4-54.4000115.4
63M31.2Very low31.1Very low162 Ų162149.4 Ų149.480%0.79874%0.744SS**  trans37.7111151.2-63.6-175.660.200119.8
64L30.5Very low31.1Very low154 Ų154150.2 Ų150.281%0.80675%0.746SS**  -165.6139.4110.2-102.2158.7000114.7
65N30.2Very low31.1Very low133 Ų133150.8 Ų150.871%0.71175%0.749SS**  trans56.293.9149.6-75.1-14.1000123.5
66S29.2Very low32Very low91 Ų91146.6 Ų146.664%0.63674%0.742SS**  74.7126.6112.3780000122.3
67R33.2Very low32Very low221 Ų221150.3 Ų150.383%0.83475%0.746SS**  179.5122.5114.4-91.5155.8-161.4-144.16.5108.5
68K33.1Very low32.1Very low187 Ų187145.8 Ų145.881%0.81373%0.732SS**  68.9137.884.3-74.9-176.5168.5-175.80112.9
69L32.8Very low31.6Very low128 Ų128148.8 Ų148.867%0.6774%0.737SS**  cis-153.9132.1-0.8-130.8130.8000106.1
70N31Very low31.8Very low149 Ų149151 Ų15180%0.79774%0.743SS**  61.8126.870.6-91.6-12000117
71D33.7Very low31.6Very low118 Ų118148.9 Ų148.963%0.63175%0.745SS**  trans-176.2155138.5-110.1-21.2000110.3
72K33.5Very low31.4Very low145 Ų145145 Ų14563%0.6374%0.736SS**  cis-154.7130.516.3-134.4142.2-166.1130.10111.8
73K33.9Very low31.3Very low159 Ų159144.9 Ų144.969%0.69174%0.735SS**  trans67.2145.5153.3-59162.7179.5173.40119.3
74R29.4Very low31.1Very low210 Ų210144.4 Ų144.479%0.79273%0.734SS**  cis-160.5133.4-12.1-103.4167.9175.3-177.1-4.6106.3
75L30.4Very low31.6Very low154 Ų154141 Ų14181%0.80672%0.722SS**  76.8151.554.9-67.3170.1000114.6
76P44.9Very low31.5Very low108 Ų108144.1 Ų144.170%0.70173%0.729SS**  cis-148.8-164.4-3841.8-22.6000115.2
77K30Very low31.4Very low194 Ų194144.2 Ų144.284%0.84374%0.735SS**  trans112.7137.7158.7-67.6-156.6174-1630116.1
78A29.9Very low31Very low65 Ų65138.8 Ų138.854%0.53773%0.73SS.*  cis-164.4154.3-10.800000111.3
79E26.8Very low30.7Very low159 Ų159137.1 Ų137.174%0.74373%0.73SS**  trans44.7159.2141.7-70123.6-124.300121.9
80H31.5Very low30.6Very low170 Ų170136.7 Ų136.779%0.78773%0.733SS**  cis-147.6-165.44.4-126.8-47.1000110.8
81S25.3Very low30.5Very low102 Ų102136.1 Ų136.171%0.71373%0.729SS**  trans-144.4163.1-172.456.80000113.6
82A27.5Very low30.3Very low86 Ų86135.5 Ų135.571%0.71173%0.733SS**  trans97.2123.215000000121.3
83L29.4Very low30.3Very low148 Ų148134.2 Ų134.278%0.77574%0.742SS**  trans76.2108.2137.3-61.9166.7000123.7
84L27.5Very low30Very low151 Ų151132.8 Ų132.879%0.79175%0.747SS**  71.7163.4127.2-63.7179.6000121.1
85P39.9Very low30.2Very low83 Ų83127.9 Ų127.954%0.53974%0.743SS.*  cis-131.2-172.4-22.121.83000114.1
86F28.2Very low30Very low199 Ų199125.6 Ų125.687%0.87374%0.74SS**  trans74141.7166.9-53.1-63.1000117.1
87A28.6Very low29.4Very low92 Ų92126 Ų12676%0.7674%0.742SS**  cis-145.7168.8-8.900000111.1
88C24.4Very low29.8Very low108 Ų108122.2 Ų122.273%0.7374%0.737SS**  trans-93-179.6166.5-61.50000110.7
89D26.4Very low30.3Very low152 Ų152124.1 Ų124.181%0.81374%0.744SS**  trans69.9148.4163.4-47.5-33.2000115.7
90V30Very low30.3Very low119 Ų119123.8 Ų123.872%0.72175%0.747SS**  cis-151.9143.1-15.6119.10000104
91D28.7Very low30Very low136 Ų136120.6 Ų120.673%0.72774%0.744SS**  -17117979.4-141.3-32.8000113.1
92C29.9Very low30.1Very low106 Ų106120.6 Ų120.672%0.71675%0.75SS**  trans-34.9144.7176.9-60.40000116.7
93S34Very low30Very low117 Ų117125.8 Ų125.882%0.81875%0.751SS**  cis-143.3129.924.4-62.50000115
94T27.1Very low29.9Very low130 Ų130123.1 Ų123.180%0.79875%0.745SS**  trans-65171.7150.941.40000112.8
95P32.9Very low30Very low107 Ų107120.6 Ų120.670%0.69574%0.736SS**  cis-137.8-169.4-16.425.6-1.4000114.7
96S27Very low29.6Very low106 Ų106124 Ų12474%0.74174%0.744SS**  trans86.7147.5142.728.10000120.2
97P32.1Very low29.7Very low117 Ų117120.3 Ų120.376%0.7673%0.733SS**  trans-137.5-165.6-133.446.6-26.3000113.2
98P39.5Very low29.8Very low113 Ų113121.6 Ų121.673%0.73473%0.728SS**  trans-92-161.6-177.843.5-36.4000110.1
99P40.3Very low30.1Very low106 Ų106124 Ų12469%0.68873%0.733SS**  cis-139.1-161.82.130.7-4.2000115.5
100L25Very low30.4Very low152 Ų152121 Ų12180%0.79672%0.724SS**  trans105.3109.8153.1-56.4-178.2000120.5
101S25.7Very low30.3Very low103 Ų103125 Ų12572%0.7273%0.728SS**  trans48.3124132.967.20000123.3
102A27Very low30.4Very low102 Ų102124.6 Ų124.684%0.84373%0.725SS**  trans62.9140.6153.700000116.5
103R27.3Very low30.5Very low194 Ų194126.6 Ų126.673%0.73272%0.724SS**  cis-167.7163.642.4-170.2-175.7172.5-174.6-5108.4
104S25.5Very low30.5Very low93 Ų93126 Ų12665%0.6571%0.711SS**  trans-76.5172.816565.30000110.8
105T29.8Very low30.7Very low97 Ų97126.8 Ų126.860%0.59570%0.703SS**  cis-171.6172.327-19.90000108.9
106H31.9Very low31.2Very low156 Ų156127.5 Ų127.572%0.72271%0.708SS**  trans72.8154.2163-57.9-51.7000116.2
107N31.1Very low31.4Very low120 Ų120127 Ų12764%0.64271%0.705SS**  cis-168.1170.7-11.3-10711.4000107.3
108N29.8Very low31.3Very low120 Ų120129.3 Ų129.364%0.64271%0.705SS**  cis-173.3166.2-34.9-108.521.7000108.4
109N31.4Very low31.4Very low157 Ų157129 Ų12984%0.8470%0.703SS**  trans71.9162.4170.8-49.4-25.5000116.4
110S32.4Very low31Very low89 Ų89129.2 Ų129.262%0.62270%0.703SS**  cis-179.2168.9-36.2-168.40000108.5
111Y28.3Very low31.2Very low204 Ų204128.8 Ų128.880%0.870%0.701SS**  trans68.9141176.8-73.4-112000114.3
112L31.2Very low31.5Very low127 Ų127129.3 Ų129.367%0.66570%0.7SS**  cis-161.5-167.1-13.1-80.1-168.9000106.9
113E31.3Very low31.7Very low149 Ų149130.5 Ų130.570%0.69670%0.697SS**  cis-170.2171.8-50-88.9-169.1144.800107.2
114L33Very low31.9Very low105 Ų105126.1 Ų126.155%0.5570%0.703SS.*  cis-166170.2-6-116.4169.5000111.1
115F32.2Very low32.1Very low145 Ų145128 Ų12864%0.63671%0.71SS**  trans68.1151.4159-58.9-51.5000121.5Y1557F115-Y1557 WeakPolarHBondContact CZ-OH 3.11Å
116P42.8Very low32.2Very low122 Ų122131.6 Ų131.679%0.79273%0.725SS**  cis-104.7-139.1-12.541.8-29.4000110
117S31.7Very low31.9Very low97 Ų97130.8 Ų130.868%0.67872%0.721SS**  cis-156.5162.4-17.344.30000106.3
118Q30.4Very low31.9Very low165 Ų165135.3 Ų135.377%0.77173%0.729SS**  cis89.8139.110.7-55-60-20.500117.7
119P42Very low31.8Very low106 Ų106136.2 Ų136.269%0.68873%0.734SS**  cis-123.5152.59.241.4-27.7000118.3
120T31.9Very low31.7Very low111 Ų111138.3 Ų138.368%0.68174%0.736SS**  trans54.7129.614953.40000120.7
121N29.6Very low31.4Very low143 Ų143139.3 Ų139.377%0.76574%0.743SS**  -155.8147.652.6-119.6-22000116.8
122T30.1Very low31.4Very low113 Ų113140 Ų14069%0.69375%0.746SS**  trans58.5120.1153.8-90000124.3
123T31.9Very low31Very low128 Ų128138.7 Ų138.779%0.78575%0.747SS**  trans72.279146.532.10000122.6
124A31Very low31.3Very low102 Ų102136.5 Ų136.584%0.84375%0.746SS**  52.2104118.100000120.9
125T30.2Very low31.2Very low131 Ų131138 Ų13880%0.80476%0.759SS**  trans-89.6161.7154.851.80000111.5
126L31.2Very low31Very low174 Ų174138.2 Ų138.291%0.91177%0.768SS**  -177.2158.9114.7-100.5170.3000113.8
127Q27.5Very low30.4Very low138 Ų138137.6 Ų137.665%0.64577%0.766SS**  trans-148129.4-177.8-168.5-162.369.500109
128R30.5Very low30.5Very low215 Ų215142.1 Ų142.181%0.81177%0.774SS**  trans151.4163.2139.5-79.9152.7-160.6-179.46.5114.3
129N28Very low30.4Very low139 Ų139138.7 Ų138.774%0.74376%0.761SS**  trans-94164.3-165.5-48.6-44.9000112.9
130F28Very low29.6Very low202 Ų202140.6 Ų140.689%0.88676%0.755SS**  174.9156.1111.8-95.7-65000114.9
131S27.7Very low29.5Very low109 Ų109140.6 Ų140.676%0.76276%0.755SS**  trans83.6112.1154.771.50000123.5
132Y27.1Very low29.6Very low220 Ų220140.4 Ų140.486%0.86375%0.753SS**  trans18.5112139.3-75.8-94000124.1
133S23.6Very low29.4Very low99 Ų99143.6 Ų143.669%0.69276%0.757SS**  57.2163.4116.487.10000122.8
134P37.6Very low29.2Very low102 Ų102147 Ų14766%0.66276%0.763SS**  cis-137.3-175.2-9.143.4-26.3000116.3
135T29.3Very low29.2Very low136 Ų136148.4 Ų148.483%0.83476%0.761SS**  trans78.9134.2155.450.20000123.3
136D29.1Very low29.2Very low151 Ų151147 Ų14781%0.80776%0.757SS**  trans-66.8149.6-175-69.6-84.4000118.4
137S30.8Very low29.3Very low109 Ų109146 Ų14676%0.76275%0.753SS**  -177.4125.189.143.30000117.4
138K32.1Very low29.4Very low192 Ų192144.1 Ų144.184%0.83576%0.755SS**  trans50.5107.1143.7-61.6178.2-178.41770118.4
139N28.9Very low29.6Very low93 Ų93139.4 Ų139.450%0.49775%0.75SS.*  -149.9156.7110.8-112.913.2000110.9N583N139-N583 PolarHBondContact OD1-ND2 2.96Å; N139-N583 VanDerWaalsContact OD1-ND2 3.11Å
140Y26.4Very low29.9Very low145 Ų145141 Ų14157%0.56975%0.753SS**  trans-60.7160.1167.6-73.9-115.8000109.5N582Y140-N582 WeakPolarHBondContact CD1-ND2 3.48Å; Y140-N582 VanDerWaalsContact CD2-ND2 3.26Å; Y140-N582 WeakPolarHBondContact CD2-ND2 3.39Å; Y140-N582 VanDerWaalsContact CD2-OD1 3.32Å; Y140-N582 WeakPolarHBondContact CD2-OD1 3.19Å; Y140-N582 WeakPolarHBondContact CE1-ND2 3.34Å; Y140-N582 WeakPolarHBondContact CE2-OD1 3.26Å
141T29.7Very low29.9Very low111 Ų111135.6 Ų135.668%0.68174%0.74SS**  cis-166.5164.346.6-23.70000112.2
142I29.9Very low30.1Very low140 Ų140136.4 Ų136.472%0.71874%0.74SS**  trans77.2126.5152.7-73.7159.7000118.4
143K27.4Very low30.3Very low180 Ų180131.7 Ų131.778%0.78373%0.734SS**  trans55.296.8159.4-69.3167.3-174.4-176.10118.8
144H27.1Very low30.6Very low199 Ų199132.7 Ų132.792%0.92174%0.736SS**  -108.6112.5129.2-81.1-77.9000108.6
145T30.1Very low30.6Very low131 Ų131133.2 Ų133.280%0.80474%0.74SS**  trans-79.7117.8166.741.80000108.7
146S31.5Very low30.7Very low101 Ų101133 Ų13371%0.70674%0.738SS**  trans-76.8131.517352.70000111.3
147N32.4Very low30.7Very low154 Ų154132 Ų13282%0.82473%0.732SS**  trans62.4132.3149.4-58-2000120.3
148S30.4Very low30.7Very low99 Ų99134.5 Ų134.569%0.69273%0.732SS**  trans76.9126.6140.9-152.90000119.7
149T35.2Very low30.7Very low115 Ų115134.1 Ų134.171%0.70673%0.733SS**  trans54.9117.3143.548.50000119.7
150H32.6Very low30.8Very low174 Ų174137.4 Ų137.481%0.80675%0.746SS**  9.4145.2118.6-70.8-78.7000117.9
151S29Very low31.1Very low88 Ų88137 Ų13762%0.61575%0.753SS**  cis-179.6169.1-11.5-104.70000106.3
152T31.3Very low31.2Very low126 Ų126138.4 Ų138.477%0.77376%0.757SS**  trans58.7104.9153.939.50000120.2
153V32.4Very low31.3Very low120 Ų120141.8 Ų141.873%0.72776%0.761SS**  75.188.4120.9177.90000118.5
154T29.6Very low31.3Very low121 Ų121141.8 Ų141.874%0.74276%0.763SS**  56.3159.8126.860.30000122.9
155P37.2Very low31.7Very low112 Ų112136.7 Ų136.773%0.72775%0.748SS**  cis-136.9-168.2-22.629-5.8000114.5
156V31.1Very low31.4Very low131 Ų131135.4 Ų135.479%0.79474%0.744SS**  trans114.2124.7153.3-177.30000115.3
157N28.6Very low31.6Very low131 Ų131139.1 Ų139.170%0.70175%0.75SS**  trans-96.2-156.2175.2-45.2-48.2000109
158E31.1Very low31.7Very low162 Ų162138.5 Ų138.576%0.75774%0.742SS**  cis-157.9-171.223.3-120.4128.1-127.500105.8
159E32.3Very low31.7Very low184 Ų184141.8 Ų141.886%0.8675%0.747SS**  cis-156.4-176.215-148.6179.6-173.300109.7
160E31.1Very low31.4Very low162 Ų162145.8 Ų145.876%0.75775%0.754SS**  trans-126.5125.6-178.9-172176.7-178.600114.5
161N33.6Very low31.6Very low135 Ų135143.1 Ų143.172%0.72275%0.753SS**  trans37117.9159-67.9-54000121
162N32Very low31.8Very low142 Ų142147.4 Ų147.476%0.75976%0.762SS**  trans-152.5158.3144.7-115.7-56.8000117.5
163R30.9Very low31.7Very low211 Ų211151.4 Ų151.480%0.79676%0.763SS**  trans-60.3158.9-167.6-57145.9173151.8-5.2117.7
164Q28Very low31.6Very low179 Ų179153.7 Ų153.784%0.83677%0.766SS**  -167.7164.6115.8-92.7-62.1-65.900110.4
165P35Very low31.5Very low93 Ų93159.5 Ų159.560%0.60478%0.775SS**  trans-135179.6-15045-30.9000119.2
166S24.9Very low31Very low104 Ų104165 Ų16573%0.72778%0.781SS**  trans62.7123.9144.264.20000122.9
167Q34.6Very low30.9Very low178 Ų178167.3 Ų167.383%0.83278%0.78SS**  trans-152.1173.2132.6-88.8-139.8-7.500111.5
168H34.8Very low31Very low142 Ų142169.1 Ų169.166%0.65778%0.784SS**  trans-23.3128.9-173.5-62.9-80.6000118.7
169Q30.6Very low30.8Very low167 Ų167168.3 Ų168.378%0.7878%0.78SS**  82.6107.753.4-70.6-175.72.400115.9
170K28.3Very low30.7Very low199 Ų199166.3 Ų166.387%0.86577%0.771SS**  trans40.5144.5131.1-67.8179.6-178.5176.90120.2
171P38.2Very low30.7Very low119 Ų119166 Ų16677%0.77377%0.769SS**  cis-148.8-159.145.942.4-20.6000117.4
172H31.5Very low30.3Very low177 Ų177167.4 Ų167.482%0.81977%0.771SS**  trans-55166.9178.4-57.4-89.6000114.7
173R30.4Very low30.1Very low210 Ų210167.6 Ų167.679%0.79277%0.767SS**  cis-159.8141.521.8-153.2178.9-169.9171.62112.9
174Q30.2Very low30Very low169 Ų169165.1 Ų165.179%0.7977%0.769SS**  trans65.4142.1153.2-83.7166.9-32.100123.2
175R27.2Very low30.1Very low243 Ų243164.1 Ų164.192%0.91777%0.769SS**  trans81.8119158.9-108.3-178.8178-1771120.7
176R27Very low30Very low228 Ų228165.1 Ų165.186%0.8678%0.779SS**  trans94.6135.8144.1-132.7177.6-170.21752.9119.1
177K28Very low30.3Very low179 Ų179164.4 Ų164.478%0.77877%0.773SS**  trans83.6135.6163.7-61.8-178.2177.5176.80119.7
178Q31.1Very low30.2Very low168 Ų168164.5 Ų164.579%0.78577%0.771SS**  trans61.4108.6154.9-71.2166.5-9.800117.7
179H28.2Very low30Very low146 Ų146165.3 Ų165.368%0.67678%0.775SS**  74.9100.182-84-74000112.8
180H29.9Very low30Very low142 Ų142167.8 Ų167.866%0.65778%0.777SS**  88.3138.9107.5-76.110.7000113.7
181H30.3Very low30.1Very low154 Ų154166 Ų16671%0.71377%0.772SS**  cis-139.4153.3-1.8-91-73.2000109.4
182H25.3Very low29.7Very low165 Ų165165.9 Ų165.976%0.76477%0.774SS**  trans-130150.2153.8-117.6-112000109.2
183E27Very low29.7Very low147 Ų147161.3 Ų161.369%0.68777%0.767SS**  trans47.9115.8163.6-70.9148.6-118.600120.7
184N29.7Very low29.7Very low158 Ų158159.4 Ų159.485%0.84577%0.771SS**  trans-98.9131.4136-66.8-71.5000106.3
185L30Very low29.8Very low158 Ų158161.1 Ų161.183%0.82777%0.771SS**  cis70.1104.347.1-67.4174.2000115.7
186S32.2Very low30.1Very low115 Ų115157.1 Ų157.180%0.80476%0.762SS**  trans-152.4149.813683.40000107.3
187S31.9Very low30.5Very low88 Ų88150.8 Ų150.862%0.61575%0.753SS**  cis-161.5152.1-15.839.30000107.1
188F31.9Very low30.8Very low181 Ų181150.7 Ų150.779%0.79476%0.76SS**  173.8173.894-109.4-85.6000112.1
189H32.1Very low30.9Very low159 Ų159146.4 Ų146.474%0.73676%0.761SS**  trans7773.6162.5-72.8105000121.5
190R30.6Very low31.2Very low218 Ų218142.9 Ų142.982%0.82377%0.765SS**  42.5124.7119.3-71.1-173-178.4-178.71.6122.6
191H29.9Very low31.4Very low161 Ų161143.4 Ų143.475%0.74577%0.77SS**  trans99125.6134.1-85.5-64000123.2
192S30.5Very low31.5Very low117 Ų117142.8 Ų142.882%0.81877%0.773SS**  trans72.4156.1155.1730000119.3
193A31.2Very low32Very low82 Ų82141 Ų14168%0.67877%0.773SS**  cis-172.2149.7-36.900000109.8
194L30.3Very low32.2Very low169 Ų169141 Ų14189%0.88578%0.777SS**  trans64.9153.9171.5-62.5159.3000114.6
195R31.5Very low32.5Very low206 Ų206138.3 Ų138.378%0.77777%0.766SS**  cis-133.6151.41.2-104.8168.8175.1-92.45.4107.5
196Q34.8Very low32.6Very low158 Ų158138.1 Ų138.174%0.73876%0.761SS**  40.5135.688.6-64.9178.9-6.600116
197S34.1Very low32.5Very low95 Ų95140.9 Ų140.966%0.66476%0.761SS**  cis-177.9164.5-5.652.40000111.9
198L34.4Very low32.7Very low177 Ų177142.2 Ų142.293%0.92777%0.765SS**  trans71.3156.4166.2-51.2168.6000117.1
199G33.6Very low32.7Very low78 Ų78141 Ų14180%0.80477%0.767SS**  cis161123.2-16.300000116.7
200G33.9Very low32.6Very low73 Ų73137.1 Ų137.175%0.75376%0.762SS**  trans89.2171.2159.500000120
201I34Very low32.7Very low152 Ų152134.7 Ų134.778%0.77976%0.764SS**  cis-170.6142.7-46.8-112.4162000113.4
202N33.2Very low32.8Very low142 Ų142133.7 Ų133.776%0.75976%0.764SS**  trans61.1172.4166.2-62.1-6.2000118.8
203V35Very low32.7Very low128 Ų128135.7 Ų135.778%0.77676%0.76SS**  cis-137-170.921.7175.80000112.6
204L31.1Very low32.6Very low145 Ų145137.4 Ų137.476%0.75976%0.758SS**  trans-74.8-167.7-169-77.463.5000115.7
205T35.8Very low32.6Very low103 Ų103134 Ų13463%0.63275%0.749SS**  cis-168.615429.6-13.50000115.1
206H32.7Very low32.6Very low153 Ų153129.6 Ų129.671%0.70875%0.749SS**  trans51.1146.5164.3-59.8-64.9000120.7
207H30.8Very low32.3Very low174 Ų174130.7 Ų130.781%0.80675%0.754SS**  cis77.7154.821.4-56.2-126.7000114.6
208V34.7Very low32.7Very low116 Ų116131.2 Ų131.270%0.70376%0.755SS**  cis-147.8162.211.7-143.90000110.9
209N32.4Very low32.3Very low156 Ų156129.3 Ų129.383%0.83475%0.746SS**  trans147.2154.9142.3-79.5-5.2000114.4
210A31.3Very low32.3Very low77 Ų77132.3 Ų132.364%0.63674%0.744SS**  cis-174.1150.3-29.300000110
211I32.5Very low32.1Very low166 Ų166136.6 Ų136.685%0.85174%0.744SS**  trans177.8144.1146.2-97.2160.1000109.1
212N30.9Very low32.1Very low140 Ų140136.5 Ų136.575%0.74974%0.744SS**  trans-116.7-177.3-176.9-53.3-5.4000108.9
213Q29.7Very low31.8Very low160 Ų160134.8 Ų134.875%0.74874%0.743SS**  cis-130-150.411.7-58.4-174.4153.300108.6
214D29.3Very low32Very low117 Ų117133.5 Ų133.563%0.62674%0.737SS**  cis-148.7153.93.3-113.3-52.9000107.9
215S28.9Very low32Very low99 Ų99135.2 Ų135.269%0.69274%0.738SS**  47.5139.287.592.90000116.4
216S31.3Very low31.7Very low113 Ų113135.1 Ų135.179%0.7974%0.742SS**  cis-152.5171.89.949.40000113.5
217E29Very low31.6Very low181 Ų181132.8 Ų132.885%0.84674%0.741SS**  trans-87.1-164.1161.8-57.9-175.8120.200109
218P42.1Very low31.6Very low105 Ų105130.4 Ų130.468%0.68274%0.735SS**  cis-145-1563.635.4-8.1000116.2
219D26.4Very low31.6Very low138 Ų138131.1 Ų131.174%0.73874%0.735SS**  trans101.5146.3147.1-67.2-21.9000124.2
220N33.4Very low31.5Very low140 Ų140130.2 Ų130.275%0.74973%0.73SS**  trans81.395.4161.8-65-17.4000122.9
221E29.4Very low31.7Very low163 Ų163131.7 Ų131.776%0.76273%0.73SS**  95.6135115.7-73-156.9140.500124.3
222I34.3Very low31.8Very low151 Ų151132.6 Ų132.677%0.77473%0.728SS**  trans71.5102.9152.8-62.3158.9000118.9
223S26.9Very low31.7Very low105 Ų105132.1 Ų132.173%0.73473%0.726SS**  trans-92.6178.7159.9-159.50000110.1
224P39.5Very low31.9Very low101 Ų101131.8 Ų131.866%0.65673%0.728SS**  -160.8171.781.644.7-24.3000118.9
225K31.8Very low31.9Very low182 Ų182137.2 Ų137.279%0.79174%0.739SS**  trans77.8108.7162.8-50.6-178.4-172.7176.90115.8
226S29.3Very low32Very low100 Ų100141.8 Ų141.870%0.69975%0.747SS**  68.7136.861.2870000112
227C30.8Very low31.8Very low104 Ų104141.4 Ų141.470%0.70374%0.743SS**  cis-150.5177.526.4-73.30000109
228D30Very low31.8Very low124 Ų124137.8 Ų137.866%0.66373%0.733SS**  cis-169.9179.2-28.4-92.2-37.5000107.6
229N34Very low31.6Very low132 Ų132135.6 Ų135.671%0.70672%0.719SS**  trans72.3109.8160-64.9-57.4000117.5
230N31.2Very low31.8Very low137 Ų137136.2 Ų136.273%0.73371%0.711SS**  85.4137.877-80.7-36.6000113.7
231V34.6Very low31.6Very low107 Ų107139.6 Ų139.665%0.64871%0.713SS**  cis-156.8151.6-5.693.20000113.3
232K34.1Very low31.7Very low185 Ų185135.4 Ų135.480%0.80471%0.714SS**  trans28.6107.2155.8-65.5158.7-1691710121.9
233D30.6Very low31.5Very low131 Ų131135 Ų13570%0.70171%0.714SS**  62.9159.998.9-155.117.3000122.7
234I32.9Very low31.6Very low153 Ų153135.5 Ų135.579%0.78571%0.708SS**  trans98.4149.5163.2-56.3175.7000117.6
235R30.2Very low31.3Very low230 Ų230138.8 Ų138.887%0.86871%0.712SS**  trans-121.5150.9-153-55174.6-172.7168.81.5113.9
236K30.6Very low31.3Very low195 Ų195134.7 Ų134.785%0.84871%0.706SS**  trans-11.2128169.2-66.7-179175.2-179.30119.2
237C27.1Very low31.5Very low106 Ų106135.3 Ų135.372%0.71671%0.706SS**  trans50.2127.5138.4-50.20000118.6
238T27.8Very low31.4Very low104 Ų104135.2 Ų135.264%0.63870%0.699SS**  cis-167-149.813.40.40000106.4T1176T238-T1176 PolarHBondContact OG1-OG1 3.32Å
239P38.2Very low31.6Very low60 Ų60138.6 Ų138.639%0.3970%0.704SS.*  cis-137.6-170.5-6.445.5-29.4000117.1T1176P239-T1176 HydrophobicContact CB-CG2 4.48Å; P239-T1176 HydrophobicContact CG-CG2 4.21Å
240R31.8Very low31.6Very low151 Ų151138.2 Ų138.257%0.5770%0.697SS**  trans69.4118.2171.7-56.2-168.6-174.8-163.13.8112.1S1177 F1178R240-S1177 PolarHBondContact NE-O 3.48Å; R240-S1177 PolarHBondContact NH2-O 3.35Å; R240-F1178 WeakPolarHBondContact CD-O 3.05Å; R240-F1178 WeakPolarHBondContact CG-O 3.3Å; R240-F1178 VanDerWaalsContact CZ-C 3.45Å; R240-F1178 VanDerWaalsContact NE-C 3.25Å
241R29.2Very low31.6Very low210 Ų210136.6 Ų136.679%0.79270%0.697SS**  56.3112.476.1-88.1-163.8174.7-139.5-0.1112.4
242G31.2Very low31.4Very low76 Ų76136 Ų13678%0.78470%0.698SS**  trans159.238.6-179.800000112.8
243D29.4Very low31.3Very low142 Ų142129.6 Ų129.676%0.75968%0.679SS**  trans-69.5133.6174.8-38-100.7000109.5
244D30.5Very low31.3Very low115 Ų115127 Ų12762%0.61567%0.671SS**  166.4131.8103.2-111.2-38000114.7
245K31.7Very low31.3Very low171 Ų171122.9 Ų122.974%0.74366%0.656SS**  trans63.6163.8150.4-63.4148.6-170.7141.30116.7
246S32.4Very low31.2Very low96 Ų96116.6 Ų116.667%0.67165%0.647SS**  cis-136.1130.26.758.20000109
247T32.7Very low31.2Very low112 Ų112113 Ų11369%0.68764%0.636SS**  50136.490.273.60000114
248D28.5Very low31.4Very low103 Ų103114 Ų11455%0.55163%0.63SS**  cis-166.8-163.37.5-12828.9000113.2Q250D248-Q250 PolarHBondContact OD2-NE2 3.17Å
249Y35.9Very low31.4Very low195 Ų195112.7 Ų112.777%0.76562%0.622SS**  trans108.575.6158.1-64.1-76.5000115.7
250Q33.6Very low30.9Very low123 Ų123115.8 Ų115.858%0.57564%0.635SS**  87.4110.767.8-73.2-1802500111.5D248D248-Q250 PolarHBondContact OD2-NE2 3.17Å
251S30Very low30.9Very low104 Ų104111.7 Ų111.773%0.72763%0.63SS**  83.713283.8-65.20000111.8
252S31.8Very low31.1Very low95 Ų95105.6 Ų105.666%0.66462%0.619SS**  -148.8174.97248.10000112.7
253A30.7Very low31.1Very low50 Ų50105 Ų10541%0.41360%0.603SS.*  cis-154.7158.525.600000116.1H1224A253-H1224 WeakPolarHBondContact O-CB 3.39Å; A253-H1224 PolarHBondContact O-CD2 3.39Å; A253-H1224 VanDerWaalsContact O-CG 3.27Å
254S31.7Very low31.2Very low77 Ų77104.9 Ų104.954%0.53860%0.596SS.*  trans39.5133.8145.666.30000121.8H1224S254-H1224 PolarHBondContact O-ND1 3.34Å
255S31.6Very low31.1Very low65 Ų65104.2 Ų104.246%0.45560%0.6SS.*  cis-176.5146.92.946.90000111.8
256S29.4Very low31.1Very low99 Ų99102.6 Ų102.669%0.69260%0.599SS**  trans21.5148.4140.873.70000121.5
257I31Very low30.9Very low120 Ų120105.3 Ų105.362%0.61560%0.601SS**  cis-168.7158.726-139.3166.7000114.6
258H29.6Very low30.7Very low126 Ų126107.1 Ų107.158%0.58361%0.607SS**  trans60.6109.4156.1-70.4-50.6000127.6Q1697H258-Q1697 VanDerWaalsContact CB-O 3.32Å; H258-Q1697 WeakPolarHBondContact CB-O 3.46Å
259T28.3Very low30.8Very low76 Ų76106.2 Ų106.247%0.46661%0.608SS.*  63.3121.3121.660.20000127.3
260N28.2Very low30.5Very low125 Ų125103 Ų10367%0.66860%0.604SS**  65.5151121.2-62.6-9.7000122.9H1695N260-H1695 CarbonylContact O-C 3.59Å; N260-H1695 VanDerWaalsContact O-C 3.3Å
261S32.7Very low30.5Very low66 Ų66104.9 Ų104.946%0.46261%0.613SS.*  cis-165.5153.5-2.138.40000115.9R1694S261-R1694 PolarHBondContact OG-O 2.91Å
262S33.4Very low30.3Very low82 Ų82110 Ų11057%0.57362%0.616SS**  trans76.1155.6159.387.40000118.3
263S30.3Very low30.1Very low63 Ų63112.6 Ų112.644%0.44162%0.617SS.*  cis-164.6170.725.950.90000115.1R1692S263-R1692 PolarHBondContact OG-O 3.23Å
264K31.8Very low30Very low139 Ų139116.7 Ų116.760%0.60463%0.628SS**  trans87.9148.6163.4-57.5177.7-157.372.40116.8R1691K264-R1691 PolarHBondContact NZ-O 3.3Å
265S28.9Very low29.9Very low102 Ų102123.9 Ų123.971%0.71364%0.643SS**  cis-161.5162.12.241.90000115.5
266L30.3Very low29.7Very low137 Ų137125.6 Ų125.672%0.71764%0.644SS**  trans92.8130.9142.4-115.573.9000123.3
267E29.6Very low29.7Very low152 Ų152128.4 Ų128.471%0.7165%0.651SS**  trans60.8113.8142.6-82.7159.1-147.200124.9
268D28.3Very low29.6Very low151 Ų151129.5 Ų129.581%0.80766%0.658SS**  54.2143.1115.8-71.617.8000123.6
269S30.9Very low29.5Very low83 Ų83131.2 Ų131.258%0.5867%0.671SS**  cis-168.4164.4-14.161.90000112.8
270N28.9Very low29.5Very low128 Ų128132.7 Ų132.768%0.68468%0.68SS**  trans65.1145.2148.7-67.7-38.3000120.3
271H32.6Very low29.7Very low163 Ų163130.8 Ų130.876%0.75567%0.67SS**  cis-154.3148.4-1.3-89.4-36.5000109.9
272R27.2Very low29.4Very low212 Ų212134.7 Ų134.780%0.869%0.686SS**  178127.2101.5-103.5-169.7150152.82.6115.6
273H27Very low29.3Very low148 Ų148137.5 Ų137.569%0.68569%0.685SS**  trans68.3151153.2-61.9-59.5000122.5
274H28Very low29.2Very low136 Ų136145 Ų14563%0.6370%0.704SS**  trans55.796.6174.7-69.4-56.6000120.1
275R31Very low29.4Very low228 Ų228141.6 Ų141.686%0.8669%0.692SS**  -147.6161102.1-102.8167.4-164.7-153.90.4111.1
276H26.5Very low29.9Very low102 Ų102142.1 Ų142.147%0.47268%0.681SS.*  trans-77.1147.7159.4-75-122.1000107.8Y1071H276-Y1071 PolarHBondContact CD2-OH 2.92Å; H276-Y1071 AromaticContact CE1-CE1 3.9Å; H276-Y1071 AromaticContact CE1-CZ 3.48Å; H276-Y1071 VanDerWaalsContact CE1-CZ 3.48Å; H276-Y1071 PolarHBondContact CE1-OH 2.77Å; H276-Y1071 VanDerWaalsContact CE1-OH 3.29Å; H276-Y1071 AromaticContact NE2-CE1 3.55Å; H276-Y1071 AromaticContact NE2-CZ 3.44Å; H276-Y1071 PolarHBondContact NE2-OH 2.8Å; H276-Y1071 VanDerWaalsContact NE2-OH 3.1Å
277N29.3Very low30.6Very low157 Ų157139.1 Ų139.184%0.8467%0.669SS**  trans-117132.1153.1-76.72.1000105.1
278D29.3Very low31.3Very low144 Ų144135.2 Ų135.277%0.7765%0.649SS**  trans-83.3146.9-173.6-50.7-78.7000111.7
279D27.9Very low32.2Very low161 Ų161136.1 Ų136.186%0.86164%0.641SS**  trans-69132165.2-62.2-75.7000109.9
280V27.3Very low33.3Very low108 Ų108136.2 Ų136.266%0.65564%0.635SS**  trans-174155.5155.6130.60000111.1
281D31.9Very low34.2Very low84 Ų84135 Ų13545%0.44964%0.637SS.*  trans68.339.5169.9-71.11.8000119.5Y283 K318D281-Y283 VanDerWaalsContact C-N 3.26Å; D281-Y283 HydrophobicContact CB-CD2 4.4Å; D281-Y283 PolarHBondContact O-N 3.31Å; D281-Y283 WeakPolarHBondContact OD1-CE2 3.31Å; D281-K318 IonicContact OD1-NZ 2.69Å; D281-K318 IonicContact OD2-NZ 3.37Å; D281-K318 PolarHBondContact OD2-NZ 2.84Å
282D26.9Very low34.9Very low149 Ų149134.8 Ų134.880%0.79764%0.641SS**  trans-88.556.9155.8-168.430.5000111.5R284D282-R284 PolarHBondContact O-N 3.13Å
283Y30.7Very low36.1Very low140 Ų140126.5 Ų126.555%0.54961%0.612SS.*  trans-74.3106.5176.9-74.7-64.3000110.9D281 L285D281-Y283 VanDerWaalsContact C-N 3.26Å; D281-Y283 HydrophobicContact CB-CD2 4.4Å; D281-Y283 PolarHBondContact O-N 3.31Å; D281-Y283 WeakPolarHBondContact OD1-CE2 3.31Å; Y283-L285 PolarHBondContact O-N 2.79Å
284R28.4Very low37.3Very low221 Ų221122.3 Ų122.383%0.83460%0.598SS**  trans-7176.1165.5-74.5-169.6175.3-168.11.2111.6D282D282-R284 PolarHBondContact O-N 3.13Å
285L36.2Very low38.6Very low68 Ų68119.3 Ų119.336%0.35659%0.591SS.*  trans-63.1143.7170.6-58.4172.7000110Y283 D386 L388Y283-L285 PolarHBondContact O-N 2.79Å; L285-D386 HydrophobicContact CB-CB 4.24Å; L285-D386 HydrophobicContact CD1-CB 3.99Å; L285-D386 HydrophobicContact CD2-CB 4.32Å; L285-D386 HydrophobicContact CG-CB 4.39Å; L285-L388 HydrophobicContact CD2-CD2 4.3Å
286K39.6Very low40Very low113 Ų113110 Ų11049%0.49156%0.556SS.*EExtended strand (participates in β ladder)trans-98.1109.7160.3-86-168.1171.9-167.70106.6F288K286-F288 HydrophobicContact CB-CD2 4.36Å; K286-F288 HydrophobicContact CB-CE2 3.59Å; K286-F288 HydrophobicContact CB-CZ 3.97Å; K286-F288 HydrophobicContact CD-CE2 4.31Å; K286-F288 HydrophobicContact CD-CZ 3.86Å; K286-F288 WeakPolarHBondContact O-CD2 3.43Å; K286-F288 WeakPolarHBondContact O-CE2 3.38Å
287T44.4Very low41.7Very low74 Ų74110.6 Ų110.645%0.45456%0.562SS.*EExtended strand (participates in β ladder)trans-83.5124.6174.7-45.70000109.7D384 D386T287-D384 HydrophobicContact CG2-CB 3.55Å; T287-D386 WeakPolarHBondContact CA-OD1 3.49Å; T287-D386 VanDerWaalsContact CB-OD1 3.26Å; T287-D386 WeakPolarHBondContact CB-OD1 3.26Å; T287-D386 PolarHBondContact N-OD1 3Å; T287-D386 PolarHBondContact OG1-OD1 2.96Å
288F45.3Very low43.2Very low69 Ų69110.2 Ų110.230%0.30356%0.555SS.*EExtended strand (participates in β ladder)trans-111.4120.8176.3-62.3-92.3000109.3K286 V385 I387K286-F288 HydrophobicContact CB-CD2 4.36Å; K286-F288 HydrophobicContact CB-CE2 3.59Å; K286-F288 HydrophobicContact CB-CZ 3.97Å; K286-F288 HydrophobicContact CD-CE2 4.31Å; K286-F288 HydrophobicContact CD-CZ 3.86Å; K286-F288 WeakPolarHBondContact O-CD2 3.43Å; K286-F288 WeakPolarHBondContact O-CE2 3.38Å; F288-V385 PolarHBondContact N-O 3.38Å; F288-V385 PolarHBondContact O-N 3.41Å; F288-I387 HydrophobicContact CD2-CD1 4.24Å; F288-I387 HydrophobicContact CD2-CG1 4.29Å; F288-I387 HydrophobicContact CE2-CD1 3.58Å; F288-I387 HydrophobicContact CE2-CG1 3.92Å; F288-I387 HydrophobicContact CZ-CD1 4.25Å
289R47.6Very low44.7Very low171 Ų171104.8 Ų104.865%0.64553%0.526SS*.EExtended strand (participates in β ladder)trans-79.9131.2169.4-78.4179.9172.4-177.7-4.6109.7D384R289-D384 WeakPolarHBondContact CG-OD1 3.32Å; R289-D384 IonicContact NE-OD1 2.71Å
290L53.7Low46.4Very low84 Ų84101.3 Ų101.344%0.4451%0.508SS..  trans-108.2106.7173.5-62.8176.2000109.2L293 V383 V385L290-L293 HydrophobicContact CB-CD1 3.98Å; L290-L293 HydrophobicContact CB-CD2 3.94Å; L290-L293 HydrophobicContact CB-CG 3.84Å; L290-L293 HydrophobicContact CD1-CD2 3.87Å; L290-V383 PolarHBondContact N-O 3Å; L290-V385 HydrophobicContact CD1-CB 4.48Å; L290-V385 HydrophobicContact CD1-CG2 3.66Å; L290-V385 HydrophobicContact CG-CG2 4.31Å
291S48.5Very low48.2Very low104 Ų10499.4 Ų99.473%0.72749%0.489SS*.  trans-85.7151.3165.142.90000110.1L293S291-L293 PolarHBondContact O-N 3.07Å
292N46.1Very low50.2Low158 Ų15897.3 Ų97.385%0.84548%0.483SS*.SBendtrans55.846.2177.8-55.2-10.4000113.8
293L51.9Low52.7Low37 Ų3791.8 Ų91.819%0.19445%0.454CS..PPolyproline II helixtrans-62134.5168.9-79.4164.6000110.6L290 S291 F375 V383L290-L293 HydrophobicContact CB-CD1 3.98Å; L290-L293 HydrophobicContact CB-CD2 3.94Å; L290-L293 HydrophobicContact CB-CG 3.84Å; L290-L293 HydrophobicContact CD1-CD2 3.87Å; S291-L293 PolarHBondContact O-N 3.07Å; L293-F375 HydrophobicContact CB-CD1 4.42Å; L293-F375 HydrophobicContact CD1-CD1 3.93Å; L293-F375 HydrophobicContact CD1-CE1 3.59Å; L293-F375 HydrophobicContact CD1-CZ 4.08Å; L293-F375 HydrophobicContact CD2-CE1 3.91Å; L293-F375 HydrophobicContact CG-CE1 4.21Å; L293-V383 HydrophobicContact CD1-CB 3.98Å; L293-V383 HydrophobicContact CD1-CG1 4.42Å; L293-V383 HydrophobicContact CD1-CG2 4.01Å
294P53.7Low55Low60 Ų6091.4 Ų91.439%0.3946%0.455SS..PPolyproline II helixtrans-68.4158.9169.731.2-35.2000110.5H298 L299P294-H298 HydrophobicContact CB-CB 4.46Å; P294-L299 HydrophobicContact CG-CD2 3.86Å; P294-L299 HydrophobicContact CG-CG 4.3Å
295P54.7Low57.2Low74 Ų7483.2 Ų83.248%0.48143%0.43SS..PPolyproline II helixtrans-51142.5176.6-27.535.3000112.3D297 H298P295-D297 PolarHBondContact O-N 3.03Å; P295-H298 WeakPolarHBondContact O-CB 3.46Å; P295-H298 PolarHBondContact O-N 2.84Å
296W61.2Low59.1Low32 Ų3282.7 Ų82.712%0.12143%0.425CS..G310 helixtrans-51.8-35-173.9-178.2-100.1000113.7H298 L299 L303 L322 Y372 F375W296-H298 VanDerWaalsContact C-N 3.27Å; W296-H298 PolarHBondContact O-N 2.96Å; W296-L299 HydrophobicContact CE3-CD1 3.92Å; W296-L299 HydrophobicContact CZ3-CD1 4.13Å; W296-L299 WeakPolarHBondContact O-CB 3.31Å; W296-L299 PolarHBondContact O-N 2.71Å; W296-L303 HydrophobicContact CH2-CD1 4.09Å; W296-L303 HydrophobicContact CH2-CD2 3.7Å; W296-L303 HydrophobicContact CH2-CG 3.54Å; W296-L303 HydrophobicContact CZ2-CD1 4.18Å; W296-L303 HydrophobicContact CZ2-CD2 4.39Å; W296-L303 HydrophobicContact CZ2-CG 3.73Å; W296-L303 HydrophobicContact CZ3-CD2 4.44Å; W296-L322 HydrophobicContact CH2-CD2 3.81Å; W296-L322 HydrophobicContact CZ3-CD2 4.28Å; W296-Y372 HydrophobicContact CB-CD2 4.36Å; W296-Y372 HydrophobicContact CB-CE2 4.08Å; W296-Y372 AromaticContact CD1-CD2 3.89Å; W296-Y372 AromaticContact CD1-CE2 3.7Å; W296-Y372 HydrophobicContact CG-CD2 4.07Å; W296-Y372 HydrophobicContact CG-CE2 4.04Å; W296-F375 HydrophobicContact CB-CB 4.32Å; W296-F375 HydrophobicContact CE3-CB 4.27Å; W296-F375 AromaticContact CE3-CD1 3.66Å; W296-F375 HydrophobicContact CE3-CD1 3.66Å; W296-F375 AromaticContact CE3-CD2 3.91Å; W296-F375 HydrophobicContact CE3-CD2 3.91Å; W296-F375 AromaticContact CE3-CE1 3.84Å; W296-F375 HydrophobicContact CE3-CE1 3.84Å; W296-F375 HydrophobicContact CE3-CE2 4.12Å; W296-F375 AromaticContact CE3-CG 3.68Å; W296-F375 HydrophobicContact CE3-CG 3.68Å; W296-F375 HydrophobicContact CE3-CZ 4.08Å; W296-F375 HydrophobicContact CZ3-CD1 4.2Å; W296-F375 HydrophobicContact CZ3-CD2 4.12Å; W296-F375 AromaticContact CZ3-CE1 3.92Å; W296-F375 HydrophobicContact CZ3-CE1 3.92Å; W296-F375 AromaticContact CZ3-CE2 3.87Å; W296-F375 HydrophobicContact CZ3-CE2 3.87Å; W296-F375 HydrophobicContact CZ3-CG 4.28Å; W296-F375 AromaticContact CZ3-CZ 3.76Å; W296-F375 HydrophobicContact CZ3-CZ 3.76Å
297D60.9Low60.7Low114 Ų11480 Ų8061%0.6142%0.418SS*.G310 helixtrans-72.6-18-177.8-52.3-50.4000113.5P295 L299P295-D297 PolarHBondContact O-N 3.03Å; D297-L299 VanDerWaalsContact C-N 3.35Å
298H60.8Low61.6Low149 Ų14978 Ų7869%0.6941%0.408SS*.G310 helixtrans-84.5-9.7171.2-64.5-179.3000112.7P294 P295 W296P294-H298 HydrophobicContact CB-CB 4.46Å; P295-H298 WeakPolarHBondContact O-CB 3.46Å; P295-H298 PolarHBondContact O-N 2.84Å; W296-H298 VanDerWaalsContact C-N 3.27Å; W296-H298 PolarHBondContact O-N 2.96Å
299L61.7Low61.6Low30 Ų3080.4 Ų80.416%0.15742%0.424CS..SBendtrans-85.7116.5173.7-66174.6000109.3P294 W296 D297 Y301 K325 F375P294-L299 HydrophobicContact CG-CD2 3.86Å; P294-L299 HydrophobicContact CG-CG 4.3Å; W296-L299 HydrophobicContact CE3-CD1 3.92Å; W296-L299 HydrophobicContact CZ3-CD1 4.13Å; W296-L299 WeakPolarHBondContact O-CB 3.31Å; W296-L299 PolarHBondContact O-N 2.71Å; D297-L299 VanDerWaalsContact C-N 3.35Å; L299-Y301 HydrophobicContact CB-CD2 4.14Å; L299-Y301 HydrophobicContact CD2-CD2 4.41Å; L299-Y301 PolarHBondContact O-N 3.24Å; L299-K325 PolarHBondContact O-NZ 3.46Å; L299-F375 HydrophobicContact CD1-CD1 4.06Å; L299-F375 HydrophobicContact CD1-CE1 3.66Å
300N62.4Low61.3Low89 Ų8978.9 Ų78.948%0.47642%0.423SS..  trans-77.140.5177.9-153.919.2000112.7K325N300-K325 PolarHBondContact O-N 3.28Å; N300-K325 WeakPolarHBondContact OD1-CB 3.43Å
301Y65.9Low60.4Low68 Ų6884.7 Ų84.727%0.26745%0.448SS..EExtended strand (participates in β ladder)trans-125.1162-176.5-61.1-65.8000110.4L299 V323 P324 K325 L347L299-Y301 HydrophobicContact CB-CD2 4.14Å; L299-Y301 HydrophobicContact CD2-CD2 4.41Å; L299-Y301 PolarHBondContact O-N 3.24Å; Y301-V323 CarbonylContact C-O 3.49Å; Y301-V323 VanDerWaalsContact CA-O 3.31Å; Y301-V323 WeakPolarHBondContact CA-O 3.3Å; Y301-P324 HydrophobicContact CD1-CB 4.17Å; Y301-P324 HydrophobicContact CE1-CB 4.15Å; Y301-K325 WeakPolarHBondContact O-CE 3.32Å; Y301-K325 PolarHBondContact O-NZ 3.26Å; Y301-K325 VanDerWaalsContact O-NZ 3.17Å; Y301-L347 HydrophobicContact CE1-CD2 3.58Å
302A73.5Confident59.7Low39 Ų3983.6 Ų83.632%0.32245%0.453SS..EExtended strand (participates in β ladder)trans-129.7150.9172.600000109.6V323 K325A302-V323 PolarHBondContact N-O 3.24Å; A302-V323 PolarHBondContact O-N 3.11Å; A302-K325 HydrophobicContact CB-CG 4.32Å
303L79.7Confident59.4Low34 Ų3480.7 Ų80.718%0.17845%0.445CS..EExtended strand (participates in β ladder)trans-86.9122169.9-64.2172.9000108.7W296 F320 L322 V352 L368 V371W296-L303 HydrophobicContact CH2-CD1 4.09Å; W296-L303 HydrophobicContact CH2-CD2 3.7Å; W296-L303 HydrophobicContact CH2-CG 3.54Å; W296-L303 HydrophobicContact CZ2-CD1 4.18Å; W296-L303 HydrophobicContact CZ2-CD2 4.39Å; W296-L303 HydrophobicContact CZ2-CG 3.73Å; W296-L303 HydrophobicContact CZ3-CD2 4.44Å; L303-F320 HydrophobicContact CB-CB 4.08Å; L303-F320 HydrophobicContact CB-CD1 4.15Å; L303-F320 HydrophobicContact CB-CG 4.15Å; L303-F320 HydrophobicContact CD1-CG 4.48Å; L303-F320 HydrophobicContact CD2-CB 3.88Å; L303-F320 HydrophobicContact CG-CB 4.41Å; L303-L322 HydrophobicContact CD2-CD2 3.91Å; L303-L322 HydrophobicContact CD2-CG 4.39Å; L303-V352 HydrophobicContact CD2-CG2 4.1Å; L303-L368 HydrophobicContact CB-CD2 4.1Å; L303-L368 HydrophobicContact CD1-CD2 3.96Å; L303-V371 HydrophobicContact CD1-CB 4.21Å; L303-V371 HydrophobicContact CD1-CG1 3.68Å
304K78.8Confident59.2Low132 Ų13285.9 Ų85.957%0.57447%0.468SS*.EExtended strand (participates in β ladder)trans-105.7128.1171.5-170.2170.2-176.6174.30109.4F306 F320 R321 V323K304-F306 PolarHBondContact O-N 3.18Å; K304-F320 WeakPolarHBondContact O-CA 3.35Å; K304-R321 PolarHBondContact N-O 3.08Å; K304-R321 PolarHBondContact O-N 3.44Å; K304-V323 HydrophobicContact CB-CG2 3.79Å; K304-V323 HydrophobicContact CD-CG2 4.23Å
305P75.2Confident59.5Low49 Ų4987.9 Ų87.932%0.31848%0.479SS..EExtended strand (participates in β ladder)trans-57.4133.8175.4-23.633000111.5F317 F320 E364P305-F317 HydrophobicContact CB-CD2 4.34Å; P305-F317 HydrophobicContact CB-CE2 4.29Å; P305-F320 HydrophobicContact CG-CD1 4.49Å; P305-F320 HydrophobicContact CG-CE1 4.29Å; P305-E364 HydrophobicContact CB-CG 4.43Å; P305-E364 HydrophobicContact CG-CG 4.2Å; P305-E364 WeakPolarHBondContact CG-OE1 3.33Å
306F76.2Confident60.1Low57 Ų5789.8 Ų89.825%0.2548%0.48CS..EExtended strand (participates in β ladder)trans-107.4106.9175.1177.8-116.1000109.7K304 K318 G319 I351K304-F306 PolarHBondContact O-N 3.18Å; F306-K318 HydrophobicContact CD1-CB 3.8Å; F306-K318 HydrophobicContact CE1-CB 4.11Å; F306-K318 HydrophobicContact CE1-CD 4.25Å; F306-K318 PolarHBondContact O-N 2.91Å; F306-G319 WeakPolarHBondContact CB-O 3.49Å; F306-G319 PolarHBondContact N-O 2.94Å; F306-G319 PolarHBondContact O-N 2.88Å; F306-I351 HydrophobicContact CD1-CD1 4.05Å; F306-I351 HydrophobicContact CE1-CD1 4.13Å
307T72.4Confident61Low56 Ų5689.7 Ų89.734%0.34448%0.48SS..EExtended strand (participates in β ladder)trans-106.4136.1174.352.90000110.3K316T307-K316 WeakPolarHBondContact CA-O 3.41Å
308S63.7Low61.5Low33 Ų3387.9 Ų87.923%0.23147%0.467CS..EExtended strand (participates in β ladder)trans-93.8117.1177.158.10000111.9K316 K318S308-K316 PolarHBondContact N-O 2.79Å; S308-K318 WeakPolarHBondContact OG-CE 3.46Å
309N44.4Very low62.5Low119 Ų11980.8 Ų80.864%0.63644%0.435SS*.  trans-96.4105174.1-66.93.8000110.1
310H41.2Very low63.4Low139 Ų13979.4 Ų79.464%0.64443%0.427SS*.  trans-102.2156154.4-76.8-75000108.9G312H310-G312 PolarHBondContact O-N 2.96Å
311H34.7Very low64.1Low206 Ų20677.9 Ų77.995%0.95442%0.415SS*.THydrogen-bonded Turntrans-54.5122.5-170.5-83.1-73.9000113.3
312G35.3Very low64.6Low80 Ų8076 Ų7683%0.82541%0.409SS*.THydrogen-bonded Turntrans99.87.1148.800000119.3H310H310-G312 PolarHBondContact O-N 2.96Å
313S38.8Very low64.3Low97 Ų9775.9 Ų75.968%0.67840%0.404SS*.SBendtrans-165.7140.216151.50000113.9
314E47.8Very low63.6Low147 Ų14777.2 Ų77.269%0.68742%0.415SS*.  trans40.3109.7166.8-65.2-174.3153.100118.8K316E314-K316 PolarHBondContact O-N 2.9Å; E314-K316 VanDerWaalsContact O-N 3.08Å; E314-K316 IonicContact OE2-NZ 3.39Å; E314-K316 PolarHBondContact OE2-NZ 3.05Å
315T61.3Low62.7Low101 Ų10174.9 Ų74.962%0.6241%0.405SS*.  trans-60.2107.2167.652.30000111.4
316K66.3Low61Low115 Ų11579.1 Ų79.150%0.543%0.43SS..EExtended strand (participates in β ladder)trans-103.8130.5178.7-72.5-175.4174.278.90112.3T307 S308 E314T307-K316 WeakPolarHBondContact CA-O 3.41Å; S308-K316 PolarHBondContact N-O 2.79Å; E314-K316 PolarHBondContact O-N 2.9Å; E314-K316 VanDerWaalsContact O-N 3.08Å; E314-K316 IonicContact OE2-NZ 3.39Å; E314-K316 PolarHBondContact OE2-NZ 3.05Å
317F79.2Confident59.3Low29 Ų2982 Ų8213%0.12745%0.446CS..EExtended strand (participates in β ladder)trans-65.2124.5177176-102.9000111.1P305 G319 F320 L359 S360 E364 A367P305-F317 HydrophobicContact CB-CD2 4.34Å; P305-F317 HydrophobicContact CB-CE2 4.29Å; F317-G319 WeakPolarHBondContact CE2-O 3.43Å; F317-F320 HydrophobicContact CE2-CD1 4.01Å; F317-F320 AromaticContact CE2-CE1 3.55Å; F317-F320 HydrophobicContact CE2-CE1 3.55Å; F317-F320 HydrophobicContact CE2-CE2 4.29Å; F317-F320 AromaticContact CE2-CZ 3.69Å; F317-F320 HydrophobicContact CE2-CZ 3.69Å; F317-F320 HydrophobicContact CZ-CD1 4.26Å; F317-F320 HydrophobicContact CZ-CD2 4.12Å; F317-F320 AromaticContact CZ-CE1 3.76Å; F317-F320 HydrophobicContact CZ-CE1 3.76Å; F317-F320 AromaticContact CZ-CE2 3.63Å; F317-F320 HydrophobicContact CZ-CE2 3.63Å; F317-F320 HydrophobicContact CZ-CG 4.4Å; F317-F320 AromaticContact CZ-CZ 3.39Å; F317-F320 HydrophobicContact CZ-CZ 3.39Å; F317-L359 HydrophobicContact CE1-CB 4.16Å; F317-L359 WeakPolarHBondContact CE1-O 3.46Å; F317-S360 WeakPolarHBondContact O-CA 3.1Å; F317-S360 VanDerWaalsContact O-CB 3.31Å; F317-S360 WeakPolarHBondContact O-CB 3.31Å; F317-E364 HydrophobicContact CD2-CB 4.43Å; F317-E364 HydrophobicContact CD2-CG 4.2Å; F317-E364 HydrophobicContact CE2-CG 4.05Å; F317-A367 HydrophobicContact CE1-CB 3.72Å; F317-A367 HydrophobicContact CZ-CB 3.87Å
318K71.5Confident57.2Low76 Ų7688.4 Ų88.433%0.3347%0.473SS..EExtended strand (participates in β ladder)trans-104.8-27.8175.6-83.1-164.4173-172.20113.3D281 F306 S308D281-K318 IonicContact OD1-NZ 2.69Å; D281-K318 IonicContact OD2-NZ 3.37Å; D281-K318 PolarHBondContact OD2-NZ 2.84Å; F306-K318 HydrophobicContact CD1-CB 3.8Å; F306-K318 HydrophobicContact CE1-CB 4.11Å; F306-K318 HydrophobicContact CE1-CD 4.25Å; F306-K318 PolarHBondContact O-N 2.91Å; S308-K318 WeakPolarHBondContact OG-CE 3.46Å
319G83.4Confident55.4Low1 Ų191.1 Ų91.11%0.0149%0.492CS..EExtended strand (participates in β ladder)trans164.4-161.7-179.500000112.4F306 F317F306-G319 WeakPolarHBondContact CB-O 3.49Å; F306-G319 PolarHBondContact N-O 2.94Å; F306-G319 PolarHBondContact O-N 2.88Å; F317-G319 WeakPolarHBondContact CE2-O 3.43Å
320F80.9Confident54.6Low0 Ų094.6 Ų94.60%050%0.504CS..EExtended strand (participates in β ladder)trans-114141.7174.1-59.2-72.3000112.6L303 K304 P305 F317 I351 V352 L359 E364 A367 L368 V371L303-F320 HydrophobicContact CB-CB 4.08Å; L303-F320 HydrophobicContact CB-CD1 4.15Å; L303-F320 HydrophobicContact CB-CG 4.15Å; L303-F320 HydrophobicContact CD1-CG 4.48Å; L303-F320 HydrophobicContact CD2-CB 3.88Å; L303-F320 HydrophobicContact CG-CB 4.41Å; K304-F320 WeakPolarHBondContact O-CA 3.35Å; P305-F320 HydrophobicContact CG-CD1 4.49Å; P305-F320 HydrophobicContact CG-CE1 4.29Å; F317-F320 HydrophobicContact CE2-CD1 4.01Å; F317-F320 AromaticContact CE2-CE1 3.55Å; F317-F320 HydrophobicContact CE2-CE1 3.55Å; F317-F320 HydrophobicContact CE2-CE2 4.29Å; F317-F320 AromaticContact CE2-CZ 3.69Å; F317-F320 HydrophobicContact CE2-CZ 3.69Å; F317-F320 HydrophobicContact CZ-CD1 4.26Å; F317-F320 HydrophobicContact CZ-CD2 4.12Å; F317-F320 AromaticContact CZ-CE1 3.76Å; F317-F320 HydrophobicContact CZ-CE1 3.76Å; F317-F320 AromaticContact CZ-CE2 3.63Å; F317-F320 HydrophobicContact CZ-CE2 3.63Å; F317-F320 HydrophobicContact CZ-CG 4.4Å; F317-F320 AromaticContact CZ-CZ 3.39Å; F317-F320 HydrophobicContact CZ-CZ 3.39Å; F320-I351 WeakPolarHBondContact O-CA 3.28Å; F320-V352 PolarHBondContact O-N 3.17Å; F320-L359 HydrophobicContact CD2-CD1 4.17Å; F320-L359 HydrophobicContact CE2-CD1 4.49Å; F320-E364 HydrophobicContact CE1-CG 4.01Å; F320-E364 HydrophobicContact CZ-CG 4.23Å; F320-A367 HydrophobicContact CE2-CB 3.61Å; F320-A367 HydrophobicContact CZ-CB 3.82Å; F320-L368 HydrophobicContact CD1-CD2 3.93Å; F320-L368 HydrophobicContact CE1-CD2 3.4Å; F320-L368 VanDerWaalsContact CE1-CD2 3.4Å; F320-L368 HydrophobicContact CE1-CG 3.64Å; F320-L368 HydrophobicContact CE2-CD2 4.08Å; F320-L368 HydrophobicContact CE2-CG 4.27Å; F320-L368 HydrophobicContact CG-CD2 4.49Å; F320-L368 HydrophobicContact CZ-CB 4.14Å; F320-L368 HydrophobicContact CZ-CD2 3.5Å; F320-L368 HydrophobicContact CZ-CG 3.44Å; F320-L368 VanDerWaalsContact CZ-CG 3.44Å; F320-V371 HydrophobicContact CD2-CG2 4.06Å; F320-V371 HydrophobicContact CE2-CG2 4.25Å
321R75.8Confident53.9Low57 Ų5798.8 Ų98.822%0.21552%0.516CS..EExtended strand (participates in β ladder)trans-97.4138.7169.4173.1-178.6-75.9-152.2-17.3110K304 V323 D348 I350K304-R321 PolarHBondContact N-O 3.08Å; K304-R321 PolarHBondContact O-N 3.44Å; R321-V323 HydrophobicContact CG-CG2 4.03Å; R321-D348 VanDerWaalsContact CD-O 3.28Å; R321-D348 WeakPolarHBondContact CD-O 3.46Å; R321-D348 VanDerWaalsContact CD-OD1 3.31Å; R321-D348 WeakPolarHBondContact CD-OD1 3.33Å; R321-D348 WeakPolarHBondContact CG-O 3.31Å; R321-D348 IonicContact CZ-OD1 2.59Å; R321-D348 PolarHBondContact NE-O 2.82Å; R321-D348 IonicContact NE-OD1 2.69Å; R321-D348 IonicContact NH1-OD1 2.69Å; R321-D348 PolarHBondContact NH1-OD1 2.77Å; R321-D348 PolarHBondContact NH2-O 3.44Å; R321-I350 VanDerWaalsContact CA-O 3.31Å; R321-I350 WeakPolarHBondContact CA-O 3.47Å
322L76.7Confident53.7Low28 Ų2895.3 Ų95.315%0.14751%0.513CS..EExtended strand (participates in β ladder)trans-81.3130.8169.4-78.7163.9000110.7W296 L303 I350 V352W296-L322 HydrophobicContact CH2-CD2 3.81Å; W296-L322 HydrophobicContact CZ3-CD2 4.28Å; L303-L322 HydrophobicContact CD2-CD2 3.91Å; L303-L322 HydrophobicContact CD2-CG 4.39Å; L322-I350 HydrophobicContact CD1-CG2 3.98Å; L322-I350 PolarHBondContact N-O 3.02Å; L322-V352 HydrophobicContact CD1-CG2 3.7Å; L322-V352 HydrophobicContact CD2-CG2 4.43Å; L322-V352 HydrophobicContact CG-CG2 3.73Å
323V67.2Low53.3Low37 Ų3799.4 Ų99.422%0.22452%0.515CS..EExtended strand (participates in β ladder)trans-134.3133.9179.8-175.50000109.1Y301 A302 K304 R321Y301-V323 CarbonylContact C-O 3.49Å; Y301-V323 VanDerWaalsContact CA-O 3.31Å; Y301-V323 WeakPolarHBondContact CA-O 3.3Å; A302-V323 PolarHBondContact N-O 3.24Å; A302-V323 PolarHBondContact O-N 3.11Å; K304-V323 HydrophobicContact CB-CG2 3.79Å; K304-V323 HydrophobicContact CD-CG2 4.23Å; R321-V323 HydrophobicContact CG-CG2 4.03Å
324P64.7Low52.8Low62 Ų62100.1 Ų100.140%0.40352%0.518SS..EExtended strand (participates in β ladder)trans-63.7139.9176.825.5-33.8000112.3Y301 V326Y301-P324 HydrophobicContact CD1-CB 4.17Å; Y301-P324 HydrophobicContact CE1-CB 4.15Å; P324-V326 PolarHBondContact O-N 3.41Å
325K59.7Low51.8Low84 Ų84103 Ų10337%0.36552%0.522SS..PPolyproline II helixtrans-72117.2169.5-73.5167.2176.6150.50108.3L299 N300 Y301 A302 I327L299-K325 PolarHBondContact O-NZ 3.46Å; N300-K325 PolarHBondContact O-N 3.28Å; N300-K325 WeakPolarHBondContact OD1-CB 3.43Å; Y301-K325 WeakPolarHBondContact O-CE 3.32Å; Y301-K325 PolarHBondContact O-NZ 3.26Å; Y301-K325 VanDerWaalsContact O-NZ 3.17Å; A302-K325 HydrophobicContact CB-CG 4.32Å; K325-I327 PolarHBondContact O-N 2.87Å
326V41Very low50.3Low138 Ų138103.7 Ų103.784%0.83653%0.526SS*.PPolyproline II helixtrans-73.4118.2178178.90000109.4P324P324-V326 PolarHBondContact O-N 3.41Å
327I38.7Very low48.4Very low116 Ų116104 Ų10460%0.59553%0.529SS*.  trans-130.4129.9169-59.4179.4000107.6K325 S329K325-I327 PolarHBondContact O-N 2.87Å; I327-S329 PolarHBondContact O-N 3.42Å
328Q28.1Very low46.2Very low192 Ų192108.8 Ų108.890%0.89755%0.554SS**  trans-8694.2174.9-70.5177.5-40.900110
329S27.6Very low44Very low90 Ų90113.3 Ų113.363%0.62958%0.576SS**  trans-161.9128.8167.457.50000111.2I327 Y331I327-S329 PolarHBondContact O-N 3.42Å; S329-Y331 PolarHBondContact O-N 2.89Å; S329-Y331 VanDerWaalsContact O-N 3.15Å
330E26.7Very low41.3Very low191 Ų191116.9 Ų116.989%0.89360%0.601SS**  trans-78.589.5179.2-63.5-176.4121.600112.4
331Y27.5Very low38.9Very low228 Ų228125.1 Ų125.189%0.89463%0.633SS**  trans-146.9132.1156.7-84.2-65.2000112S329 L333S329-Y331 PolarHBondContact O-N 2.89Å; S329-Y331 VanDerWaalsContact O-N 3.15Å; Y331-L333 PolarHBondContact O-N 3.46Å
332C29.2Very low36.6Very low133 Ų133130.7 Ų130.790%0.89967%0.667SS**  trans-75.8116.9-177.6-68.50000112.4
333L26.6Very low34.4Very low165 Ų165133.8 Ų133.886%0.86468%0.683SS**  trans-134.2160.5163.4-80.6-176.4000110.6Y331Y331-L333 PolarHBondContact O-N 3.46Å
334P28.1Very low32.6Very low113 Ų113138.3 Ų138.373%0.73471%0.713SS**  trans-82.7150.1-133.328.8-36.6000115.4V336P334-V336 PolarHBondContact O-N 3.29Å
335R27.8Very low31.1Very low208 Ų208140.4 Ų140.479%0.78572%0.716SS**  trans-54.5126.3159.5-78.8178171.2162.1-2.1109.5H337R335-H337 VanDerWaalsContact C-N 3.27Å; R335-H337 PolarHBondContact O-N 3.44Å
336V29.7Very low30.2Very low114 Ų114143.7 Ų143.769%0.69173%0.733SS**  trans-67.591.4162.6179.60000107.7P334 I338P334-V336 PolarHBondContact O-N 3.29Å; V336-I338 VanDerWaalsContact C-N 3.32Å; V336-I338 HydrophobicContact CG1-CG1 4.45Å; V336-I338 PolarHBondContact O-N 3.05Å
337H26.6Very low30.3Very low122 Ų122140.9 Ų140.957%0.56571%0.713SS**  trans-7385.6177.7-92.6-98.8000110.1R335 H339R335-H337 VanDerWaalsContact C-N 3.27Å; R335-H337 PolarHBondContact O-N 3.44Å; H337-H339 PolarHBondContact O-N 3.12Å; H337-H339 PolarHBondContact O-ND1 3.1Å
338I32.3Very low30.6Very low129 Ų129138.9 Ų138.966%0.66270%0.703SS**  trans-57.6105165.8-58.4176.7000107.3V336 S340V336-I338 VanDerWaalsContact C-N 3.32Å; V336-I338 HydrophobicContact CG1-CG1 4.45Å; V336-I338 PolarHBondContact O-N 3.05Å; I338-S340 PolarHBondContact O-N 2.97Å
339H25.1Very low31.6Very low171 Ų171131.7 Ų131.779%0.79267%0.671SS**SBendtrans-77.155.5-175.2-92.762.7000112.2H337H337-H339 PolarHBondContact O-N 3.12Å; H337-H339 PolarHBondContact O-ND1 3.1Å
340S27.4Very low33.1Very low77 Ų77129.5 Ų129.554%0.53865%0.652SS.*SBendtrans-166.1120.7164.7-86.60000110.7I338I338-S340 PolarHBondContact O-N 2.97Å
341Y30Very low34.9Very low172 Ų172121.7 Ų121.768%0.67562%0.616SS**  trans72.9104.8176.2-48.6-72.1000117.5I343Y341-I343 PolarHBondContact O-N 2.82Å
342N27.9Very low37Very low174 Ų174110.9 Ų110.993%0.9357%0.574SS**  trans-67.792.5160.2-84-24.3000110.7
343I29.7Very low38.9Very low94 Ų94105.3 Ų105.348%0.48254%0.538SS..  trans-137.1129162.8-58178.6000107.1Y341 F345Y341-I343 PolarHBondContact O-N 2.82Å; I343-F345 HydrophobicContact CB-CD2 4.43Å; I343-F345 HydrophobicContact CB-CE2 3.73Å; I343-F345 HydrophobicContact CB-CZ 3.89Å; I343-F345 HydrophobicContact CD1-CZ 4.36Å; I343-F345 HydrophobicContact CG2-CE1 4.1Å; I343-F345 HydrophobicContact CG2-CE2 3.96Å; I343-F345 HydrophobicContact CG2-CZ 3.73Å; I343-F345 VanDerWaalsContact O-CD2 3.31Å; I343-F345 WeakPolarHBondContact O-CD2 3.3Å; I343-F345 PolarHBondContact O-N 3.41Å
344P29.9Very low40.9Very low131 Ų13197.4 Ų97.485%0.85150%0.497SS*.  trans-73.3115.9176.129.4-32.8000110.3
345F33.1Very low42.5Very low107 Ų10794.3 Ų94.347%0.46947%0.474SS..  trans-108.9144.8168.6-60.3-77.7000109.3I343 I387I343-F345 HydrophobicContact CB-CD2 4.43Å; I343-F345 HydrophobicContact CB-CE2 3.73Å; I343-F345 HydrophobicContact CB-CZ 3.89Å; I343-F345 HydrophobicContact CD1-CZ 4.36Å; I343-F345 HydrophobicContact CG2-CE1 4.1Å; I343-F345 HydrophobicContact CG2-CE2 3.96Å; I343-F345 HydrophobicContact CG2-CZ 3.73Å; I343-F345 VanDerWaalsContact O-CD2 3.31Å; I343-F345 WeakPolarHBondContact O-CD2 3.3Å; I343-F345 PolarHBondContact O-N 3.41Å; F345-I387 HydrophobicContact CD1-CG2 4.46Å
346Q40.6Very low44.1Very low153 Ų15390.5 Ų90.572%0.71547%0.47SS*.  trans-81140.6165.6-67.9-176.2-65.800108.6D348 D349Q346-D348 PolarHBondContact O-N 2.97Å; Q346-D348 VanDerWaalsContact O-N 3.08Å; Q346-D349 PolarHBondContact O-N 2.84Å
347L43.1Very low45.8Very low78 Ų7890.1 Ų90.141%0.40846%0.46SS..G310 helixtrans-62.5-21.8-170.8-8074000113.5Y301 D349 I350Y301-L347 HydrophobicContact CE1-CD2 3.58Å; L347-D349 PolarHBondContact O-N 3.23Å; L347-I350 WeakPolarHBondContact O-CG1 3.39Å
348D45.5Very low47.9Very low74 Ų7491.2 Ų91.240%0.39646%0.463SS..G310 helixtrans-58.5-23.9175-89.8-74.3000114.6R321 Q346 I350R321-D348 VanDerWaalsContact CD-O 3.28Å; R321-D348 WeakPolarHBondContact CD-O 3.46Å; R321-D348 VanDerWaalsContact CD-OD1 3.31Å; R321-D348 WeakPolarHBondContact CD-OD1 3.33Å; R321-D348 WeakPolarHBondContact CG-O 3.31Å; R321-D348 IonicContact CZ-OD1 2.59Å; R321-D348 PolarHBondContact NE-O 2.82Å; R321-D348 IonicContact NE-OD1 2.69Å; R321-D348 IonicContact NH1-OD1 2.69Å; R321-D348 PolarHBondContact NH1-OD1 2.77Å; R321-D348 PolarHBondContact NH2-O 3.44Å; Q346-D348 PolarHBondContact O-N 2.97Å; Q346-D348 VanDerWaalsContact O-N 3.08Å; D348-I350 PolarHBondContact O-N 3.13Å; D348-I350 VanDerWaalsContact O-N 3.13Å
349D49.8Very low50Low42 Ų4285.5 Ų85.523%0.22543%0.434CS..G310 helixtrans-80.912.9-174.5-72.6-30.1000114.3Q346 L347 I387 L388Q346-D349 PolarHBondContact O-N 2.84Å; L347-D349 PolarHBondContact O-N 3.23Å; D349-I387 HydrophobicContact CB-CG2 4.49Å; D349-I387 WeakPolarHBondContact O-CA 3.34Å; D349-L388 HydrophobicContact CB-CB 4.36Å; D349-L388 PolarHBondContact O-N 3.14Å
350I58Low52.3Low43 Ų4379.4 Ų79.422%0.22141%0.411CS..EExtended strand (participates in β ladder)trans-105.5117-172.7-54.9176.2000111.5R321 L322 L347 D348 V385R321-I350 VanDerWaalsContact CA-O 3.31Å; R321-I350 WeakPolarHBondContact CA-O 3.47Å; L322-I350 HydrophobicContact CD1-CG2 3.98Å; L322-I350 PolarHBondContact N-O 3.02Å; L347-I350 WeakPolarHBondContact O-CG1 3.39Å; D348-I350 PolarHBondContact O-N 3.13Å; D348-I350 VanDerWaalsContact O-N 3.13Å; I350-V385 HydrophobicContact CG2-CG1 3.32Å
351I66.1Low54.7Low28 Ų2882.4 Ų82.414%0.14442%0.419CS..EExtended strand (participates in β ladder)trans-100.6139.3170-64.8179.7000110.1F306 F320 D386 L388F306-I351 HydrophobicContact CD1-CD1 4.05Å; F306-I351 HydrophobicContact CE1-CD1 4.13Å; F320-I351 WeakPolarHBondContact O-CA 3.28Å; I351-D386 PolarHBondContact N-O 3.33Å; I351-D386 PolarHBondContact O-N 3.01Å; I351-L388 HydrophobicContact CD1-CD1 3.9Å; I351-L388 HydrophobicContact CD1-CD2 3.78Å; I351-L388 HydrophobicContact CD1-CG 3.79Å; I351-L388 HydrophobicContact CG1-CD1 4.21Å; I351-L388 HydrophobicContact CG1-CG 4.13Å
352V70.1Confident57.1Low1 Ų176.6 Ų76.61%0.00640%0.399CS..EExtended strand (participates in β ladder)trans-96.8125.6172.9-176.20000110.8L303 F320 L322 L359 V371 F375 V383L303-V352 HydrophobicContact CD2-CG2 4.1Å; F320-V352 PolarHBondContact O-N 3.17Å; L322-V352 HydrophobicContact CD1-CG2 3.7Å; L322-V352 HydrophobicContact CD2-CG2 4.43Å; L322-V352 HydrophobicContact CG-CG2 3.73Å; V352-L359 VanDerWaalsContact O-CD1 3.28Å; V352-L359 WeakPolarHBondContact O-CD1 3.09Å; V352-V371 HydrophobicContact CG1-CG1 4.12Å; V352-F375 HydrophobicContact CG1-CE2 4.33Å; V352-V383 HydrophobicContact CG1-CG1 3.9Å
353G70.5Confident59.8Low15 Ų1572 Ų7216%0.15538%0.38CS..EExtended strand (participates in β ladder)trans-115.5165164.600000111.6D384G353-D384 CarbonylContact C-O 3.46Å; G353-D384 VanDerWaalsContact CA-O 3.31Å; G353-D384 WeakPolarHBondContact CA-O 3.43Å; G353-D384 PolarHBondContact N-O 2.94Å; G353-D384 PolarHBondContact O-N 2.91Å; G353-D384 VanDerWaalsContact O-O 3.07Å
354V68.7Low62.2Low0 Ų071.5 Ų71.50%038%0.376CS..EExtended strand (participates in β ladder)trans-141.4129.2-179.1177.70000109.1N356 H357 Y370 V371 A374 Y381V354-N356 PolarHBondContact O-N 3.47Å; V354-H357 WeakPolarHBondContact O-CB 3.43Å; V354-H357 PolarHBondContact O-N 3Å; V354-Y370 HydrophobicContact CB-CD1 4.08Å; V354-Y370 HydrophobicContact CB-CE1 3.77Å; V354-Y370 HydrophobicContact CG1-CD1 4.04Å; V354-Y370 HydrophobicContact CG1-CE1 3.51Å; V354-V371 HydrophobicContact CG2-CG2 3.96Å; V354-A374 HydrophobicContact CG1-CB 3.63Å; V354-A374 HydrophobicContact CG2-CB 4.02Å; V354-Y381 HydrophobicContact CG1-CD1 3.93Å
355N61.8Low64.7Low47 Ų4768.8 Ų68.825%0.25136%0.364SS..THydrogen-bonded Turntrans52.125.1175.7-72.7-6.9000115.3H357 Y381 T382N355-H357 PolarHBondContact O-CD2 2.81Å; N355-H357 PolarHBondContact O-N 3Å; N355-H357 VanDerWaalsContact O-N 3.12Å; N355-Y381 VanDerWaalsContact ND2-CD1 3.3Å; N355-Y381 WeakPolarHBondContact ND2-CD1 3.45Å; N355-Y381 WeakPolarHBondContact OD1-CA 3.35Å; N355-T382 PolarHBondContact N-O 2.91Å; N355-T382 PolarHBondContact OD1-N 3.02Å; N355-T382 PolarHBondContact OD1-O 2.81Å; N355-T382 PolarHBondContact OD1-OG1 3.29Å
356N59.7Low67.1Low129 Ų12967.5 Ų67.569%0.6937%0.365SS*.THydrogen-bonded Turntrans56.613.1-166.5-63.9-106.4000114.7V354 K358 D384V354-N356 PolarHBondContact O-N 3.47Å; N356-K358 PolarHBondContact O-N 3.14Å; N356-D384 PolarHBondContact ND2-OD2 2.82Å
357H65.9Low69.2Low106 Ų10660.2 Ų60.249%0.49133%0.331SS..BIsolated β-bridgetrans-72124.3172-81.6-113.3000110V354 N355 L359 Y370V354-H357 WeakPolarHBondContact O-CB 3.43Å; V354-H357 PolarHBondContact O-N 3Å; N355-H357 PolarHBondContact O-CD2 2.81Å; N355-H357 PolarHBondContact O-N 3Å; N355-H357 VanDerWaalsContact O-N 3.12Å; H357-L359 PolarHBondContact O-N 3.12Å; H357-Y370 HydrophobicContact CB-CE1 4.14Å
358K69.9Low71.2Confident145 Ų14559.6 Ų59.663%0.6333%0.328SS*.  trans-75.694.7-178.1-165.2178.7-173.2177.70110.1N356 S360 I361N356-K358 PolarHBondContact O-N 3.14Å; K358-S360 WeakPolarHBondContact CE-OG 3.42Å; K358-S360 PolarHBondContact O-N 2.95Å; K358-I361 HydrophobicContact CB-CD1 3.93Å; K358-I361 HydrophobicContact CB-CG1 4.21Å; K358-I361 HydrophobicContact CD-CD1 4.27Å; K358-I361 HydrophobicContact CD-CG1 4.4Å; K358-I361 HydrophobicContact CG-CD1 4.45Å; K358-I361 HydrophobicContact CG-CG1 4.4Å; K358-I361 WeakPolarHBondContact O-CG1 3.31Å; K358-I361 PolarHBondContact O-N 3.17Å
359L77.5Confident73Confident8 Ų861.1 Ų61.14%0.04233%0.332CS..G310 helixtrans-52.5-28.3-178.1-61.4-178.5000113.2F317 F320 V352 H357 I361 M362 A367 Y370 V371F317-L359 HydrophobicContact CE1-CB 4.16Å; F317-L359 WeakPolarHBondContact CE1-O 3.46Å; F320-L359 HydrophobicContact CD2-CD1 4.17Å; F320-L359 HydrophobicContact CE2-CD1 4.49Å; V352-L359 VanDerWaalsContact O-CD1 3.28Å; V352-L359 WeakPolarHBondContact O-CD1 3.09Å; H357-L359 PolarHBondContact O-N 3.12Å; L359-I361 PolarHBondContact O-N 3.42Å; L359-M362 HydrophobicContact CD2-SD 4.08Å; L359-M362 PolarHBondContact O-N 3.49Å; L359-A367 HydrophobicContact CD2-CB 4.4Å; L359-Y370 HydrophobicContact CD2-CD1 4.11Å; L359-V371 HydrophobicContact CD1-CG2 4.03Å
360S73Confident74.5Confident44 Ų4461.1 Ų61.131%0.30833%0.33SS..G310 helixtrans-631.9174.1890000116F317 K358F317-S360 WeakPolarHBondContact O-CA 3.1Å; F317-S360 VanDerWaalsContact O-CB 3.31Å; F317-S360 WeakPolarHBondContact O-CB 3.31Å; K358-S360 WeakPolarHBondContact CE-OG 3.42Å; K358-S360 PolarHBondContact O-N 2.95Å
361I78Confident75.7Confident140 Ų14059.1 Ų59.172%0.71832%0.319SS*.G310 helixtrans-104.1-12.9174.7-53.1176.5000110.6K358 L359K358-I361 HydrophobicContact CB-CD1 3.93Å; K358-I361 HydrophobicContact CB-CG1 4.21Å; K358-I361 HydrophobicContact CD-CD1 4.27Å; K358-I361 HydrophobicContact CD-CG1 4.4Å; K358-I361 HydrophobicContact CG-CD1 4.45Å; K358-I361 HydrophobicContact CG-CG1 4.4Å; K358-I361 WeakPolarHBondContact O-CG1 3.31Å; K358-I361 PolarHBondContact O-N 3.17Å; L359-I361 PolarHBondContact O-N 3.42Å
362M81Confident76.5Confident50 Ų5062.2 Ų62.225%0.24633%0.33CS..SBendtrans-100.4152.7-177.8-61.8160.774.900109.6L359 V366 A367 Y370L359-M362 HydrophobicContact CD2-SD 4.08Å; L359-M362 PolarHBondContact O-N 3.49Å; M362-V366 HydrophobicContact CE-CG1 3.87Å; M362-A367 HydrophobicContact CB-CB 4.14Å; M362-Y370 HydrophobicContact CE-CD1 4.09Å; M362-Y370 HydrophobicContact CE-CD2 4.23Å; M362-Y370 HydrophobicContact CE-CG 3.74Å
363S83.4Confident76.9Confident76 Ų7664.8 Ų64.853%0.53134%0.343SS..  trans-69.1151167.658.10000110A365 V366 A367S363-A365 VanDerWaalsContact C-N 3.32Å; S363-A365 PolarHBondContact O-N 2.98Å; S363-V366 PolarHBondContact O-N 2.99Å; S363-V366 VanDerWaalsContact OG-CG2 3.3Å; S363-V366 WeakPolarHBondContact OG-CG2 3.28Å; S363-A367 PolarHBondContact O-N 3.05Å
364E81Confident77.4Confident85 Ų8564.1 Ų64.140%0.39734%0.336SS..Hα-helixtrans-53.8-45.3-172.4-171.3178.6124.900113P305 F317 F320 V366 A367 L368P305-E364 HydrophobicContact CB-CG 4.43Å; P305-E364 HydrophobicContact CG-CG 4.2Å; P305-E364 WeakPolarHBondContact CG-OE1 3.33Å; F317-E364 HydrophobicContact CD2-CB 4.43Å; F317-E364 HydrophobicContact CD2-CG 4.2Å; F317-E364 HydrophobicContact CE2-CG 4.05Å; F320-E364 HydrophobicContact CE1-CG 4.01Å; F320-E364 HydrophobicContact CZ-CG 4.23Å; E364-V366 PolarHBondContact O-N 2.86Å; E364-A367 PolarHBondContact O-N 3.02Å; E364-L368 PolarHBondContact O-N 2.89Å
365A82.3Confident77.6Confident73 Ų7364.7 Ų64.760%0.60334%0.339SS*.Hα-helixtrans-63.3-39.7177.400000113.2S363 L368 Q369S363-A365 VanDerWaalsContact C-N 3.32Å; S363-A365 PolarHBondContact O-N 2.98Å; A365-L368 PolarHBondContact O-N 2.95Å; A365-Q369 PolarHBondContact O-N 3.33Å
366V83.2Confident78.1Confident80 Ų8069.7 Ų69.749%0.48536%0.359SS..Hα-helixtrans-72.3-34.1177.8178.80000110.7M362 S363 E364 Y370M362-V366 HydrophobicContact CE-CG1 3.87Å; S363-V366 PolarHBondContact O-N 2.99Å; S363-V366 VanDerWaalsContact OG-CG2 3.3Å; S363-V366 WeakPolarHBondContact OG-CG2 3.28Å; E364-V366 PolarHBondContact O-N 2.86Å; V366-Y370 VanDerWaalsContact O-CB 3.3Å; V366-Y370 WeakPolarHBondContact O-CB 3.38Å; V366-Y370 PolarHBondContact O-N 2.82Å
367A85.5Confident78.6Confident0 Ų067 Ų670%034%0.344CS..Hα-helixtrans-67.5-42.7172.300000111.8F317 F320 L359 M362 S363 E364 Y370 V371F317-A367 HydrophobicContact CE1-CB 3.72Å; F317-A367 HydrophobicContact CZ-CB 3.87Å; F320-A367 HydrophobicContact CE2-CB 3.61Å; F320-A367 HydrophobicContact CZ-CB 3.82Å; L359-A367 HydrophobicContact CD2-CB 4.4Å; M362-A367 HydrophobicContact CB-CB 4.14Å; S363-A367 PolarHBondContact O-N 3.05Å; E364-A367 PolarHBondContact O-N 3.02Å; A367-Y370 PolarHBondContact O-N 3.48Å; A367-V371 WeakPolarHBondContact O-CG2 3.31Å; A367-V371 PolarHBondContact O-N 2.82Å
368L83.8Confident78.3Confident65 Ų6564.7 Ų64.734%0.3434%0.343SS..Hα-helixtrans-58.2-49.8174-82.8178.2000110.8L303 F320 E364 A365 Y370 V371 Y372L303-L368 HydrophobicContact CB-CD2 4.1Å; L303-L368 HydrophobicContact CD1-CD2 3.96Å; F320-L368 HydrophobicContact CD1-CD2 3.93Å; F320-L368 HydrophobicContact CE1-CD2 3.4Å; F320-L368 VanDerWaalsContact CE1-CD2 3.4Å; F320-L368 HydrophobicContact CE1-CG 3.64Å; F320-L368 HydrophobicContact CE2-CD2 4.08Å; F320-L368 HydrophobicContact CE2-CG 4.27Å; F320-L368 HydrophobicContact CG-CD2 4.49Å; F320-L368 HydrophobicContact CZ-CB 4.14Å; F320-L368 HydrophobicContact CZ-CD2 3.5Å; F320-L368 HydrophobicContact CZ-CG 3.44Å; F320-L368 VanDerWaalsContact CZ-CG 3.44Å; E364-L368 PolarHBondContact O-N 2.89Å; A365-L368 PolarHBondContact O-N 2.95Å; L368-Y370 VanDerWaalsContact C-N 3.31Å; L368-Y370 PolarHBondContact O-N 2.84Å; L368-V371 PolarHBondContact O-N 3.47Å; L368-Y372 PolarHBondContact O-N 3.08Å
369Q83.8Confident77.7Confident106 Ų10666.6 Ų66.650%0.49535%0.354SS..Hα-helixtrans-63.5-37.7179.6-166.265.458.700112A365 Y372 N373A365-Q369 PolarHBondContact O-N 3.33Å; Q369-Y372 PolarHBondContact O-N 3.21Å; Q369-N373 PolarHBondContact NE2-OD1 3.21Å; Q369-N373 WeakPolarHBondContact O-CB 3.49Å; Q369-N373 PolarHBondContact O-N 2.86Å; Q369-N373 PolarHBondContact O-OD1 2.81Å
370Y81.8Confident76.7Confident43 Ų4373 Ų7317%0.16938%0.384CS..Hα-helixtrans-65.7-39.5176.6-168.7-109.1000112.3V354 H357 L359 M362 V366 A367 L368 A374 Y381V354-Y370 HydrophobicContact CB-CD1 4.08Å; V354-Y370 HydrophobicContact CB-CE1 3.77Å; V354-Y370 HydrophobicContact CG1-CD1 4.04Å; V354-Y370 HydrophobicContact CG1-CE1 3.51Å; H357-Y370 HydrophobicContact CB-CE1 4.14Å; L359-Y370 HydrophobicContact CD2-CD1 4.11Å; M362-Y370 HydrophobicContact CE-CD1 4.09Å; M362-Y370 HydrophobicContact CE-CD2 4.23Å; M362-Y370 HydrophobicContact CE-CG 3.74Å; V366-Y370 VanDerWaalsContact O-CB 3.3Å; V366-Y370 WeakPolarHBondContact O-CB 3.38Å; V366-Y370 PolarHBondContact O-N 2.82Å; A367-Y370 PolarHBondContact O-N 3.48Å; L368-Y370 VanDerWaalsContact C-N 3.31Å; L368-Y370 PolarHBondContact O-N 2.84Å; Y370-A374 WeakPolarHBondContact O-CB 3.48Å; Y370-A374 PolarHBondContact O-N 2.97Å; Y370-Y381 HydrophobicContact CD2-CE1 4.45Å; Y370-Y381 HydrophobicContact CE2-CD1 4.45Å; Y370-Y381 AromaticContact CE2-CE1 3.72Å; Y370-Y381 HydrophobicContact CE2-CE1 3.72Å; Y370-Y381 AromaticContact CZ-CE1 3.92Å
371V82.9Confident75.8Confident0 Ų073.9 Ų73.90%038%0.381CS..Hα-helixtrans-68.1-46.3173.4176.60000111L303 F320 V352 V354 L359 A367 L368 N373 A374 F375L303-V371 HydrophobicContact CD1-CB 4.21Å; L303-V371 HydrophobicContact CD1-CG1 3.68Å; F320-V371 HydrophobicContact CD2-CG2 4.06Å; F320-V371 HydrophobicContact CE2-CG2 4.25Å; V352-V371 HydrophobicContact CG1-CG1 4.12Å; V354-V371 HydrophobicContact CG2-CG2 3.96Å; L359-V371 HydrophobicContact CD1-CG2 4.03Å; A367-V371 WeakPolarHBondContact O-CG2 3.31Å; A367-V371 PolarHBondContact O-N 2.82Å; L368-V371 PolarHBondContact O-N 3.47Å; V371-N373 PolarHBondContact O-N 2.91Å; V371-A374 WeakPolarHBondContact O-CB 3.48Å; V371-A374 PolarHBondContact O-N 2.94Å; V371-A374 VanDerWaalsContact O-N 3.1Å; V371-F375 HydrophobicContact CG1-CD2 3.78Å; V371-F375 HydrophobicContact CG1-CE2 3.81Å; V371-F375 WeakPolarHBondContact O-CD2 3.34Å; V371-F375 PolarHBondContact O-N 3.42Å
372Y82.3Confident74.7Confident94 Ų9469.9 Ų69.937%0.36936%0.363SS..Hα-helixtrans-61.4-42.7179.2-172.7-96.6000112.1W296 L368 Q369 A374 F375 K376W296-Y372 HydrophobicContact CB-CD2 4.36Å; W296-Y372 HydrophobicContact CB-CE2 4.08Å; W296-Y372 AromaticContact CD1-CD2 3.89Å; W296-Y372 AromaticContact CD1-CE2 3.7Å; W296-Y372 HydrophobicContact CG-CD2 4.07Å; W296-Y372 HydrophobicContact CG-CE2 4.04Å; L368-Y372 PolarHBondContact O-N 3.08Å; Q369-Y372 PolarHBondContact O-N 3.21Å; Y372-A374 VanDerWaalsContact C-N 3.33Å; Y372-A374 PolarHBondContact O-N 2.88Å; Y372-F375 PolarHBondContact O-N 2.89Å; Y372-K376 WeakPolarHBondContact O-CB 3.21Å; Y372-K376 PolarHBondContact O-N 2.85Å
373N79.6Confident73.9Confident54 Ų5467.6 Ų67.629%0.28935%0.352SS..Hα-helixtrans-62.6-39173.4-68.99.1000111.7Q369 V371 F375 K376 D377Q369-N373 PolarHBondContact NE2-OD1 3.21Å; Q369-N373 WeakPolarHBondContact O-CB 3.49Å; Q369-N373 PolarHBondContact O-N 2.86Å; Q369-N373 PolarHBondContact O-OD1 2.81Å; V371-N373 PolarHBondContact O-N 2.91Å; N373-F375 PolarHBondContact O-N 3.06Å; N373-K376 PolarHBondContact O-N 3.28Å; N373-K376 VanDerWaalsContact O-N 3.12Å; N373-D377 PolarHBondContact O-N 2.91Å
374A79.4Confident72.9Confident1 Ų164.3 Ų64.31%0.00833%0.328CS..Hα-helixtrans-66.7-31.8176.600000114V354 Y370 V371 Y372 K376 Y381 V383V354-A374 HydrophobicContact CG1-CB 3.63Å; V354-A374 HydrophobicContact CG2-CB 4.02Å; Y370-A374 WeakPolarHBondContact O-CB 3.48Å; Y370-A374 PolarHBondContact O-N 2.97Å; V371-A374 WeakPolarHBondContact O-CB 3.48Å; V371-A374 PolarHBondContact O-N 2.94Å; V371-A374 VanDerWaalsContact O-N 3.1Å; Y372-A374 VanDerWaalsContact C-N 3.33Å; Y372-A374 PolarHBondContact O-N 2.88Å; A374-K376 VanDerWaalsContact C-N 3.34Å; A374-Y381 VanDerWaalsContact CB-CB 3.49Å; A374-Y381 HydrophobicContact CB-CD1 4.05Å; A374-Y381 HydrophobicContact CB-CD2 4.3Å; A374-Y381 HydrophobicContact CB-CG 3.71Å; A374-V383 HydrophobicContact CB-CG2 4.14Å
375F73.6Confident71.9Confident13 Ų1360.9 Ų60.96%0.05731%0.313CS..Hα-helixtrans-77.8-17.6171.1-87.4-92.9000113.5L293 W296 L299 V352 V371 Y372 N373 V383L293-F375 HydrophobicContact CB-CD1 4.42Å; L293-F375 HydrophobicContact CD1-CD1 3.93Å; L293-F375 HydrophobicContact CD1-CE1 3.59Å; L293-F375 HydrophobicContact CD1-CZ 4.08Å; L293-F375 HydrophobicContact CD2-CE1 3.91Å; L293-F375 HydrophobicContact CG-CE1 4.21Å; W296-F375 HydrophobicContact CB-CB 4.32Å; W296-F375 HydrophobicContact CE3-CB 4.27Å; W296-F375 AromaticContact CE3-CD1 3.66Å; W296-F375 HydrophobicContact CE3-CD1 3.66Å; W296-F375 AromaticContact CE3-CD2 3.91Å; W296-F375 HydrophobicContact CE3-CD2 3.91Å; W296-F375 AromaticContact CE3-CE1 3.84Å; W296-F375 HydrophobicContact CE3-CE1 3.84Å; W296-F375 HydrophobicContact CE3-CE2 4.12Å; W296-F375 AromaticContact CE3-CG 3.68Å; W296-F375 HydrophobicContact CE3-CG 3.68Å; W296-F375 HydrophobicContact CE3-CZ 4.08Å; W296-F375 HydrophobicContact CZ3-CD1 4.2Å; W296-F375 HydrophobicContact CZ3-CD2 4.12Å; W296-F375 AromaticContact CZ3-CE1 3.92Å; W296-F375 HydrophobicContact CZ3-CE1 3.92Å; W296-F375 AromaticContact CZ3-CE2 3.87Å; W296-F375 HydrophobicContact CZ3-CE2 3.87Å; W296-F375 HydrophobicContact CZ3-CG 4.28Å; W296-F375 AromaticContact CZ3-CZ 3.76Å; W296-F375 HydrophobicContact CZ3-CZ 3.76Å; L299-F375 HydrophobicContact CD1-CD1 4.06Å; L299-F375 HydrophobicContact CD1-CE1 3.66Å; V352-F375 HydrophobicContact CG1-CE2 4.33Å; V371-F375 HydrophobicContact CG1-CD2 3.78Å; V371-F375 HydrophobicContact CG1-CE2 3.81Å; V371-F375 WeakPolarHBondContact O-CD2 3.34Å; V371-F375 PolarHBondContact O-N 3.42Å; Y372-F375 PolarHBondContact O-N 2.89Å; N373-F375 PolarHBondContact O-N 3.06Å; F375-V383 HydrophobicContact CD2-CG2 4.29Å; F375-V383 HydrophobicContact CE2-CG1 3.92Å; F375-V383 HydrophobicContact CE2-CG2 4.2Å; F375-V383 HydrophobicContact CZ-CG1 4.07Å
376K72.7Confident70.7Confident152 Ų15258.8 Ų58.866%0.66129%0.292SS*.Hα-helixtrans-87.6-46.2176.3-170.5-179.7177.6-178.10111.9Y372 N373 A374Y372-K376 WeakPolarHBondContact O-CB 3.21Å; Y372-K376 PolarHBondContact O-N 2.85Å; N373-K376 PolarHBondContact O-N 3.28Å; N373-K376 VanDerWaalsContact O-N 3.12Å; A374-K376 VanDerWaalsContact C-N 3.34Å
377D69.2Low69.2Low73 Ų7356.5 Ų56.539%0.3928%0.276SS..  trans-10655.4-172.9-56-24.9000110.6N373 E379 H380 Y381N373-D377 PolarHBondContact O-N 2.91Å; D377-E379 PolarHBondContact O-N 3.24Å; D377-H380 PolarHBondContact O-N 2.77Å; D377-Y381 HydrophobicContact CB-CD2 4.18Å; D377-Y381 HydrophobicContact CB-CE2 4.19Å
378A60.6Low67.4Low56 Ų5657.9 Ų57.946%0.46328%0.284SS..THydrogen-bonded Turntrans-58.8-15.6-17000000115.5H380A378-H380 VanDerWaalsContact C-N 3.33Å
379E56.8Low65.1Low185 Ų18563.7 Ų63.786%0.86430%0.301SS*.THydrogen-bonded Turntrans-72-24.1172.3-61.2-172.8155.200113.4D377D377-E379 PolarHBondContact O-N 3.24Å
380H56Low62.6Low143 Ų14362.4 Ų62.466%0.66230%0.304SS*.THydrogen-bonded Turntrans-108.7-9.3-171.4-70.974.5000113.8D377 A378D377-H380 PolarHBondContact O-N 2.77Å; A378-H380 VanDerWaalsContact C-N 3.33Å
381Y55.1Low60Low62 Ų6265.5 Ų65.524%0.24333%0.332CS..  trans-135.9120.3-175.6-61.5-91.8000112.1V354 N355 Y370 A374 D377 V383V354-Y381 HydrophobicContact CG1-CD1 3.93Å; N355-Y381 VanDerWaalsContact ND2-CD1 3.3Å; N355-Y381 WeakPolarHBondContact ND2-CD1 3.45Å; N355-Y381 WeakPolarHBondContact OD1-CA 3.35Å; Y370-Y381 HydrophobicContact CD2-CE1 4.45Å; Y370-Y381 HydrophobicContact CE2-CD1 4.45Å; Y370-Y381 AromaticContact CE2-CE1 3.72Å; Y370-Y381 HydrophobicContact CE2-CE1 3.72Å; Y370-Y381 AromaticContact CZ-CE1 3.92Å; A374-Y381 VanDerWaalsContact CB-CB 3.49Å; A374-Y381 HydrophobicContact CB-CD1 4.05Å; A374-Y381 HydrophobicContact CB-CD2 4.3Å; A374-Y381 HydrophobicContact CB-CG 3.71Å; D377-Y381 HydrophobicContact CB-CD2 4.18Å; D377-Y381 HydrophobicContact CB-CE2 4.19Å; Y381-V383 PolarHBondContact O-N 3.16Å
382T54.5Low57.3Low56 Ų5673.7 Ų73.734%0.34438%0.375SS..  trans-80108.9166.360.80000109.4N355 D384N355-T382 PolarHBondContact N-O 2.91Å; N355-T382 PolarHBondContact OD1-N 3.02Å; N355-T382 PolarHBondContact OD1-O 2.81Å; N355-T382 PolarHBondContact OD1-OG1 3.29Å; T382-D384 PolarHBondContact O-N 2.78Å
383V64.9Low54.6Low2 Ų274.2 Ų74.21%0.01239%0.392CS..EExtended strand (participates in β ladder)trans-76.5119.1167.9-1760000108.4L290 L293 V352 A374 F375 Y381 V385L290-V383 PolarHBondContact N-O 3Å; L293-V383 HydrophobicContact CD1-CB 3.98Å; L293-V383 HydrophobicContact CD1-CG1 4.42Å; L293-V383 HydrophobicContact CD1-CG2 4.01Å; V352-V383 HydrophobicContact CG1-CG1 3.9Å; A374-V383 HydrophobicContact CB-CG2 4.14Å; F375-V383 HydrophobicContact CD2-CG2 4.29Å; F375-V383 HydrophobicContact CE2-CG1 3.92Å; F375-V383 HydrophobicContact CE2-CG2 4.2Å; F375-V383 HydrophobicContact CZ-CG1 4.07Å; Y381-V383 PolarHBondContact O-N 3.16Å; V383-V385 HydrophobicContact CG1-CG2 4.17Å
384D61.1Low52.1Low7 Ų777 Ų774%0.03742%0.415CS..EExtended strand (participates in β ladder)trans-108.3110.6-176.3-80.7-42000107.3T287 R289 G353 N356 T382T287-D384 HydrophobicContact CG2-CB 3.55Å; R289-D384 WeakPolarHBondContact CG-OD1 3.32Å; R289-D384 IonicContact NE-OD1 2.71Å; G353-D384 CarbonylContact C-O 3.46Å; G353-D384 VanDerWaalsContact CA-O 3.31Å; G353-D384 WeakPolarHBondContact CA-O 3.43Å; G353-D384 PolarHBondContact N-O 2.94Å; G353-D384 PolarHBondContact O-N 2.91Å; G353-D384 VanDerWaalsContact O-O 3.07Å; N356-D384 PolarHBondContact ND2-OD2 2.82Å; T382-D384 PolarHBondContact O-N 2.78Å
385V61.9Low49.6Very low14 Ų1488.3 Ų88.39%0.08546%0.458CS..EExtended strand (participates in β ladder)trans-100.7120.1-175.7178.70000110.3F288 L290 I350 V383F288-V385 PolarHBondContact N-O 3.38Å; F288-V385 PolarHBondContact O-N 3.41Å; L290-V385 HydrophobicContact CD1-CB 4.48Å; L290-V385 HydrophobicContact CD1-CG2 3.66Å; L290-V385 HydrophobicContact CG-CG2 4.31Å; I350-V385 HydrophobicContact CG2-CG1 3.32Å; V383-V385 HydrophobicContact CG1-CG2 4.17Å
386D55.7Low47.3Very low28 Ų2898 Ų9815%0.1550%0.5CS..EExtended strand (participates in β ladder)trans-109.3124-174.2-82.5-37.3000111.5L285 T287 I351L285-D386 HydrophobicContact CB-CB 4.24Å; L285-D386 HydrophobicContact CD1-CB 3.99Å; L285-D386 HydrophobicContact CD2-CB 4.32Å; L285-D386 HydrophobicContact CG-CB 4.39Å; T287-D386 WeakPolarHBondContact CA-OD1 3.49Å; T287-D386 VanDerWaalsContact CB-OD1 3.26Å; T287-D386 WeakPolarHBondContact CB-OD1 3.26Å; T287-D386 PolarHBondContact N-OD1 3Å; T287-D386 PolarHBondContact OG1-OD1 2.96Å; I351-D386 PolarHBondContact N-O 3.33Å; I351-D386 PolarHBondContact O-N 3.01Å
387I53Low45.1Very low32 Ų3294.8 Ų94.816%0.16450%0.497CS..EExtended strand (participates in β ladder)trans-90.8121.5176-55.7-178.5000110.6F288 F345 D349 R389F288-I387 HydrophobicContact CD2-CD1 4.24Å; F288-I387 HydrophobicContact CD2-CG1 4.29Å; F288-I387 HydrophobicContact CE2-CD1 3.58Å; F288-I387 HydrophobicContact CE2-CG1 3.92Å; F288-I387 HydrophobicContact CZ-CD1 4.25Å; F345-I387 HydrophobicContact CD1-CG2 4.46Å; D349-I387 HydrophobicContact CB-CG2 4.49Å; D349-I387 WeakPolarHBondContact O-CA 3.34Å; I387-R389 PolarHBondContact O-N 3.34Å
388L45.8Very low43.1Very low30 Ų30100.5 Ų100.516%0.15752%0.519CS..  trans-66.991.7171.2-75.2178.1000110.7L285 D349 I351 S390L285-L388 HydrophobicContact CD2-CD2 4.3Å; D349-L388 HydrophobicContact CB-CB 4.36Å; D349-L388 PolarHBondContact O-N 3.14Å; I351-L388 HydrophobicContact CD1-CD1 3.9Å; I351-L388 HydrophobicContact CD1-CD2 3.78Å; I351-L388 HydrophobicContact CD1-CG 3.79Å; I351-L388 HydrophobicContact CG1-CD1 4.21Å; I351-L388 HydrophobicContact CG1-CG 4.13Å; L388-S390 VanDerWaalsContact C-N 3.34Å; L388-S390 PolarHBondContact O-N 2.78Å
389R36.9Very low41.4Very low186 Ų186105.2 Ų105.270%0.70254%0.536SS*.  trans-75.586.7173.1-163.5176.5-166.9-177.43.8110.9I387I387-R389 PolarHBondContact O-N 3.34Å
390S31.6Very low40Very low80 Ų80103.1 Ų103.156%0.55953%0.531SS*.  trans-53.4141.1169.6600000111.2L388 L392L388-S390 VanDerWaalsContact C-N 3.34Å; L388-S390 PolarHBondContact O-N 2.78Å; S390-L392 PolarHBondContact O-N 2.85Å
391S26.8Very low38.8Very low107 Ų107103.9 Ų103.975%0.74854%0.535SS*.  trans-75.1112.3-174.743.90000110.8S393S391-S393 PolarHBondContact O-N 3.17Å
392L26.6Very low37.6Very low172 Ų172106 Ų10690%0.90156%0.559SS**THydrogen-bonded Turntrans-71.461.2171.9-78168.4000111.7S390S390-L392 PolarHBondContact O-N 2.85Å
393S25Very low36.3Very low105 Ų105109.2 Ų109.273%0.73458%0.583SS**THydrogen-bonded Turntrans-147.921.6175.6-165.20000113.6S391S391-S393 PolarHBondContact O-N 3.17Å
394S26.7Very low34.6Very low112 Ų112114.3 Ų114.378%0.78362%0.619SS**SBendtrans-160.259.5166.8-81.50000113.4
395R27.9Very low33.3Very low239 Ų239119.8 Ų119.890%0.90265%0.653SS**  trans-136.986.8157.4-73.6-162.7-178.4-175.93.1110.1
396K25.6Very low31.7Very low217 Ų217126.9 Ų126.994%0.94369%0.687SS**  trans-130.947.8172-108.8-162.6176.7-167.90110.4
397S25.4Very low30.4Very low85 Ų85131.5 Ų131.559%0.59471%0.711SS**SBendtrans-166.3149.5170.846.90000107.8
398F26.6Very low29.4Very low192 Ų192138.2 Ų138.284%0.84274%0.739SS**  trans55.7101.5-179.8-52.7-78000113.9
399N26Very low28.5Very low155 Ų155144.4 Ų144.483%0.82977%0.767SS**  -145.2152.765.3-73.6-20.7000113.6
400N27.5Very low28Very low141 Ų141140 Ų14075%0.75477%0.765SS**  trans-153.5161.1149.4-126.838.8000109
401E29.9Very low27.9Very low160 Ų160143.4 Ų143.475%0.74878%0.776SS**  trans64.572165.8-73.9139.5-113.700119.6
402S30.2Very low28Very low107 Ų107144.5 Ų144.575%0.74877%0.772SS**  41.7114.2104.4-480000121.9
403S26.7Very low28.3Very low122 Ų122141.8 Ų141.885%0.85376%0.763SS**  58.9112.5125.1-52.30000122.5
404S30.5Very low28.6Very low109 Ų109147.3 Ų147.376%0.76277%0.768SS**  -156.7135.2122.1-158.20000114.8
405T33.9Very low28.5Very low122 Ų122149.6 Ų149.675%0.74877%0.766SS**  trans25.4113.114957.40000122.5
406M26.5Very low28.5Very low164 Ų164146 Ų14681%0.80876%0.757SS**  -12156.4124.5-84.3-172.2137.600117.8
407L28.5Very low28.8Very low125 Ų125140.7 Ų140.765%0.65475%0.747SS**  cis-169.5170.127.5-128.4165.4000111.1
408K32Very low29.2Very low172 Ų172142.2 Ų142.275%0.74875%0.749SS**  trans66.7156.9162.7-66.4-176.1-177.5177.80118.4
409Q28.1Very low29.3Very low161 Ų161139.6 Ų139.675%0.75275%0.754SS**  cis-172.4139-44.2-127.8173.7-18.200109.5
410S26.8Very low29.4Very low94 Ų94135 Ų13566%0.65774%0.744SS**  trans69.7152.6146.879.50000121.1
411L29.2Very low29.5Very low151 Ų151138.8 Ų138.879%0.79175%0.749SS**  trans70.9143158.8-56.2172.4000116.4
412I29.4Very low29.4Very low130 Ų130135.8 Ų135.867%0.66775%0.746SS**  cis-159.3147.5-13.4-138.7174.9000111.1
413T32.6Very low29.5Very low115 Ų115137.9 Ų137.971%0.70675%0.749SS**  trans57.2169166.360.30000118.3
414R30Very low29.3Very low221 Ų221138.1 Ų138.183%0.83475%0.75SS**  cis-152.7127.6-33.1-104.1168.4-177.6-155.63103.1
415Q25.2Very low29.5Very low160 Ų160138.5 Ų138.575%0.74875%0.748SS**  62.6127.266.3-140.8-162.454.400115.1
416K27.6Very low29.2Very low163 Ų163140 Ų14071%0.70975%0.746SS**  trans75.1168173.8-53.2-175.7179.9179.90113.7
417S31.6Very low29.5Very low106 Ų106138.8 Ų138.874%0.74175%0.748SS**  cis-161.7169.726.738.50000110.8
418D33.8Very low29.6Very low116 Ų116138.2 Ų138.262%0.6275%0.745SS**  cis-166.7156.3-22.8-89.8-27000107G420D418-G420 PolarHBondContact O-N 3.03Å; D418-G420 VanDerWaalsContact O-N 3.13Å
419S29.3Very low29.4Very low138 Ų138136.9 Ų136.997%0.96575%0.745SS**THydrogen-bonded Turntrans-84.871.516261.70000109.3
420G27.9Very low29.5Very low59 Ų59134.4 Ų134.461%0.60874%0.742SS**THydrogen-bonded Turntrans-150.6-15.6-170.500000116.1D418D418-G420 PolarHBondContact O-N 3.03Å; D418-G420 VanDerWaalsContact O-N 3.13Å
421Y29.1Very low29.8Very low220 Ų220135 Ų13586%0.86375%0.747SS**SBendtrans-158149.2163.1-113.3-83.7000109.7
422S29.1Very low30Very low97 Ų97134.2 Ų134.268%0.67874%0.744SS**SBendtrans49.1101.1167.357.20000119.6
423N31.8Very low30.4Very low151 Ų151134.1 Ų134.181%0.80775%0.751SS**  62.5108.2128.3-57.61.5000120.6V425N423-V425 HydrophobicContact CB-CG2 4.48Å
424S23Very low30.2Very low127 Ų127135.5 Ų135.589%0.88875%0.749SS**  trans-86121.5141.6-62.50000109.8
425V34.6Very low30.2Very low117 Ų117133.9 Ų133.971%0.70974%0.743SS**  trans-148.5101.1165.8-177.60000105.4N423N423-V425 HydrophobicContact CB-CG2 4.48Å
426E27.3Very low30.3Very low154 Ų154131.9 Ų131.972%0.7274%0.744SS**  55.99087.5-71.8-149.1106.200116.1
427V33.4Very low30.6Very low138 Ų138134.6 Ų134.684%0.83675%0.75SS**  -165.795.7128.2-179.70000104.3
428N29.9Very low30.6Very low112 Ų112140 Ų14060%0.59975%0.754SS**  cis65.89233.9-137.83.8000113.3
429I27.7Very low30.6Very low144 Ų144145.2 Ų145.274%0.73877%0.765SS**  trans74.1122.9163.1-56.5162000113.4
430P29.4Very low30.6Very low109 Ų109147.9 Ų147.971%0.70875%0.754SS**  -146-178.454.844-26.1000118.3
431S35.1Very low30.7Very low108 Ų108152.8 Ų152.876%0.75576%0.761SS**  trans67.285.4149.2-62.70000119.6P433S431-P433 WeakPolarHBondContact O-CD 3.3Å
432N31.8Very low30.8Very low134 Ų134146 Ų14672%0.71776%0.759SS**  trans-63.7120.1152.5171.97.7000111.2H434N432-H434 VanDerWaalsContact C-N 3.3Å; N432-H434 PolarHBondContact O-N 2.96Å; N432-H434 PolarHBondContact OD1-N 2.93Å
433P39.1Very low30.8Very low127 Ų127144.8 Ų144.883%0.82576%0.761SS**  trans-93.746.9175.538.4-33.3000112.7S431 R435S431-P433 WeakPolarHBondContact O-CD 3.3Å; P433-R435 PolarHBondContact O-N 2.99Å
434H27.4Very low30.6Very low144 Ų144143.3 Ų143.367%0.66776%0.761SS**  trans-52.7135.2152.9-165.639.3000108.9N432N432-H434 VanDerWaalsContact C-N 3.3Å; N432-H434 PolarHBondContact O-N 2.96Å; N432-H434 PolarHBondContact OD1-N 2.93Å
435R29.3Very low30.9Very low187 Ų187142.9 Ų142.971%0.70675%0.754SS**  trans58106.5149-171.8-169.4-163.6-177.77.5117.6P433 R437P433-R435 PolarHBondContact O-N 2.99Å; R435-R437 PolarHBondContact O-N 3.15Å
436P28.9Very low30.6Very low119 Ų119143.9 Ų143.977%0.77376%0.755SS**SBendtrans-61.9129.3163.4-16.229.6000111.4
437R33.6Very low30.6Very low220 Ų220146.5 Ų146.583%0.8376%0.76SS**  trans65.8131.3161.9-63.5172.1176.3176-2.2116R435R435-R437 PolarHBondContact O-N 3.15Å
438R32.1Very low30.4Very low220 Ų220144.1 Ų144.183%0.8375%0.749SS**  cis-136.1158.7-13.3-76.4179.5169.3166.8-5.5106
439R32.2Very low30.3Very low225 Ų225143.8 Ų143.885%0.84976%0.756SS**  46.8133.968-82.3-170.3179.9-179.30.1113.8
440R29.8Very low30.2Very low194 Ų194142 Ų14273%0.73276%0.755SS**  cis-167.2172-12.9-148.5171177.9-140.714.8108.6
441E30.5Very low30.1Very low161 Ų161145.2 Ų145.275%0.75276%0.76SS**  trans65.7167.2158.4-77.5148.5-132.900119
442G31.1Very low29.9Very low79 Ų79147.6 Ų147.681%0.81476%0.763SS**  trans-177.9143.8176.500000110.1
443G28.5Very low29.7Very low71 Ų71147.2 Ų147.273%0.73277%0.766SS**  trans125.8142.2-177.800000112.9
444C27.7Very low29.4Very low120 Ų120146.6 Ų146.681%0.81176%0.761SS**  trans69.9129.2171.8-58.10000118.2
445T30.3Very low29.3Very low118 Ų118146.6 Ų146.672%0.72476%0.762SS**  trans33.3132135.259.30000119.7
446N26.9Very low29.4Very low137 Ų137148 Ų14873%0.73377%0.767SS**  cis-159177.116-104.4-16.6000111.4
447Y28.9Very low29.3Very low210 Ų210147.2 Ų147.282%0.82476%0.764SS**  trans20125.8151.8-85.6-96.9000121.2
448S29.3Very low29.7Very low87 Ų87141.5 Ų141.561%0.60876%0.756SS**  trans29.3121.8134.866.80000121
449S26.3Very low29.3Very low106 Ų106140.7 Ų140.774%0.74175%0.754SS**  70.1130.4118.6-54.60000122.1
450C25.9Very low29Very low106 Ų106138 Ų13872%0.71675%0.748SS**  trans86.5126.6134.2-72.70000122.6
451E26.8Very low28.9Very low177 Ų177135.4 Ų135.483%0.82775%0.749SS**  94.4158.1129.6-77.7176.1140.100122.2
452I32.1Very low28.7Very low158 Ų158133.2 Ų133.281%0.8174%0.742SS**  trans68.5108.1-176.3-50.8176.8000112.8
453T26.7Very low28.5Very low126 Ų126137.3 Ų137.377%0.77374%0.738SS**SBendcis-167.81682.823.60000108
454P33.7Very low28.8Very low113 Ų113143.1 Ų143.173%0.73474%0.743SS**  cis-126.4168-46.439.1-24.4000113.3
455E25.3Very low28.8Very low145 Ų145143.9 Ų143.968%0.67874%0.735SS**  trans49133.3153.4-82.8-89.482.100123.6
456R31.7Very low28.7Very low217 Ų217145.3 Ų145.382%0.81973%0.733SS**  trans93.7153143.8-77.6178.6-161-150.7-0124.2
457S25.1Very low28.7Very low102 Ų102148.1 Ų148.171%0.71374%0.739SS**  trans-135.6-162.1-168650000107.4
458P42.5Very low28.9Very low100 Ų100143.7 Ų143.765%0.64973%0.73SS**  cis-126.9-169-40.130.8-11.8000111.2
459Y25Very low29.1Very low203 Ų203148.7 Ų148.780%0.79674%0.735SS**  trans69.4154.9156-98.1-76.8000119.3
460K25.6Very low29.5Very low167 Ų167148.6 Ų148.673%0.72673%0.73SS**  trans41.9135.3151.6-83.7161.1-179-178.50121.6
461N26.5Very low30.1Very low141 Ų141151 Ų15175%0.75474%0.735SS**  15130.3127.6-4617000116
462D27.7Very low30.2Very low114 Ų114146.5 Ų146.561%0.6172%0.723SS**  -165.6166.769.8-123.1-17.5000114.9
463K27.3Very low30.3Very low166 Ų166145.1 Ų145.172%0.72272%0.716SS**  trans27.1110.5147.9-59.6150.5-170.31500119
464K34.4Very low30.4Very low192 Ų192148.5 Ų148.584%0.83572%0.715SS**  -159.4133.4102.6-94.1178.1175.9-177.30107.9
465E27Very low30.1Very low137 Ų137148.7 Ų148.764%0.6471%0.71SS**  cis87.3135.536.4-174.9179.3-152.500113.9
466Q27.4Very low30.5Very low148 Ų148146.7 Ų146.769%0.69272%0.718SS**  trans64.7119.3169.8-73155.123.300117.3
467K27.7Very low30.5Very low195 Ų195141.9 Ų141.985%0.84871%0.708SS**  cis72.264.947.2-170.3-155.9177.8-1750111.1
468D33Very low30.9Very low118 Ų118144.8 Ų144.863%0.63172%0.715SS**  trans-158145.5156-115.77.6000105.8
469R32.8Very low30.5Very low192 Ų192144.5 Ų144.573%0.72571%0.711SS**  cis-157.1-161.9-7.5-148.4166.6-159.3139.1-4.6107.2
470T36.2Very low30.8Very low103 Ų103142.1 Ų142.163%0.63271%0.712SS**  trans47.5110.5146.450.50000118.2
471L37.9Very low30.9Very low156 Ų156142 Ų14282%0.81772%0.719SS**  72.3142.5102-67.7174.9000114.4
472S29.5Very low31Very low84 Ų84140.3 Ų140.359%0.58772%0.718SS**  cis171.5171.6-19.5-130.90000106
473I33.3Very low31.1Very low129 Ų129145.7 Ų145.766%0.66273%0.73SS**  trans62133.3140.3-69.6166.1000119
474R28.9Very low31Very low197 Ų197144.3 Ų144.374%0.74373%0.729SS**  cis-174165-26.5-119.7177.1-165132-1.2106.8
475N26.7Very low30.7Very low117 Ų117139.7 Ų139.763%0.62672%0.722SS**  trans7130.2142.8-40.83.2000118.9N477N475-N477 WeakPolarHBondContact CB-OD1 3.42Å
476A33.9Very low30.8Very low102 Ų102139.9 Ų139.984%0.84373%0.726SS**  -122.4121.1111.200000106.5
477N33.1Very low30.8Very low116 Ų116139.5 Ų139.562%0.6273%0.726SS**  84.595.650.8-70.2-9.6000113.4N475N475-N477 WeakPolarHBondContact CB-OD1 3.42Å
478L32.6Very low30.8Very low164 Ų164136.6 Ų136.686%0.85972%0.72SS**  -123.2100.3118.9-74.1176000105.4
479T34.2Very low30.9Very low93 Ų93141.3 Ų141.357%0.57173%0.73SS**  62125.693.360.30000113.9
480N31.2Very low30.9Very low153 Ų153137.1 Ų137.182%0.81873%0.728SS**  cis-156.2154.2-3.4-102.1-24.1000110.9
481L27.3Very low30.5Very low166 Ų166139.4 Ų139.487%0.86974%0.736SS**  trans-109132.1158.8-93.8171.4000108.3
482S29.3Very low30.1Very low105 Ų105137.1 Ų137.173%0.73473%0.734SS**  trans179.7129.1149.8-89.10000113.3
483R29.8Very low30.7Very low227 Ų227138.2 Ų138.286%0.85774%0.739SS**  trans64.2164.8137.9-69.8-173.1166.9173.9-4.8118.8
484L25.4Very low30.7Very low136 Ų136139.3 Ų139.371%0.71275%0.746SS**  cis-161.9155.9-42.4-115.8175.5000107
485S26.4Very low31Very low96 Ų96135.9 Ų135.967%0.67175%0.747SS**  trans59.7143.315163.70000122.4
486L30Very low31.4Very low141 Ų141138.3 Ų138.374%0.73875%0.754SS**  trans100.6111136.4-121.169.3000119.9
487M28.5Very low31Very low140 Ų140140.1 Ų140.169%0.6975%0.749SS**  trans48122.3137.8-78.959.6146.300122.2
488D27Very low30.9Very low134 Ų134143.1 Ų143.172%0.71776%0.756SS**  73.4128.6128.3-52.9-26000122.4
489Y34.7Very low30.9Very low216 Ų216140.2 Ų140.285%0.84775%0.75SS**  trans3.7142148.5-68-86.5000119.2
490P32.6Very low30.9Very low104 Ų104146.4 Ų146.468%0.67576%0.763SS**  cis-146.2-173.346.743.5-24.9000117.5
491D28.5Very low31.1Very low151 Ų151146.5 Ų146.581%0.80776%0.758SS**  trans62.9128.7153-63.6-32000123.2
492S29.6Very low31.1Very low109 Ų109147.1 Ų147.176%0.76276%0.759SS**  trans-77.3178.1160.4-51.10000110.7
493P41.6Very low31.4Very low107 Ų107147.2 Ų147.270%0.69576%0.76SS**  -147.215796.737.5-22.7000115.8
494N33.5Very low31.6Very low151 Ų151140.1 Ų140.181%0.80775%0.749SS**  trans59.6121.5149.1-61.5-15.9000118
495V35.2Very low32.1Very low126 Ų126140.4 Ų140.476%0.76476%0.756SS**SBendcis-155.814515.1-178.30000107.5
496H34.7Very low32.3Very low168 Ų168143.5 Ų143.578%0.77877%0.765SS**  cis-140.4153.5-1-136-57.6000110
497L26.4Very low32.3Very low140 Ų140142 Ų14273%0.73377%0.767SS**  trans-134.8166.7155.7-78.2170.7000106.7
498K30.7Very low32.4Very low178 Ų178141.9 Ų141.977%0.77477%0.773SS**  cis-165.9165.424.3-145.3160.1-172.8174.60111.6
499S32.3Very low32.5Very low104 Ų104143.9 Ų143.973%0.72778%0.776SS**  trans91.1132.6144.383.50000122.2
500R33.8Very low32.2Very low223 Ų223143.5 Ų143.584%0.84277%0.773SS**  trans61133.8162.5-63-175.5175.8-166.5-1.7117.5
501Q34.9Very low32Very low154 Ų154144.6 Ų144.672%0.7277%0.773SS**  cis-150.6126.66.7-134.3163.2-10.300112.8
502M29Very low32Very low179 Ų179146.9 Ų146.988%0.88278%0.779SS**  trans52.584.2153.9-59.6179.576.300120
503S34.2Very low31.9Very low108 Ų108144.4 Ų144.476%0.75577%0.771SS**  trans-81.7168144.671.40000109.3
504A34.4Very low31.2Very low77 Ų77145.5 Ų145.564%0.63678%0.775SS**  cis75.4134.824.700000115.9
505V35.4Very low31.2Very low142 Ų142145.8 Ų145.886%0.86178%0.775SS**  trans67.787.1177.3-152.50000115.7
506D32.2Very low30.9Very low161 Ų161146.5 Ų146.586%0.86177%0.774SS**  trans-83.3132.5-171.4-54.2-77.1000115.7
507S30.2Very low30.8Very low110 Ų110148.2 Ų148.277%0.76978%0.775SS**  trans-163.990162.152.20000115.5
508V29.6Very low31.1Very low137 Ų137147.5 Ų147.583%0.8377%0.772SS**  trans-151.6109.6164.4166.30000106.9
509F29Very low31.4Very low177 Ų177145 Ų14578%0.77677%0.768SS**  50.890.282.2-83.6-94.8000114.9
510R28.8Very low31.3Very low208 Ų208149.4 Ų149.479%0.78577%0.768SS**  78.5139.286-90.9-162.7-177.9-140.85.7115.9
511N27.3Very low31.2Very low126 Ų126144.9 Ų144.967%0.67476%0.759SS**  trans8195.2156.2-55.1-9.2000119.1
512H29.4Very low31.4Very low200 Ų200143.6 Ų143.693%0.92676%0.758SS**  -123.4155.6107-83.1-97.9000107.2
513G28.2Very low31.4Very low57 Ų57140.3 Ų140.359%0.58875%0.748SS**  cis130.958.47.500000110.9
514V26.3Very low31.5Very low129 Ų129139.8 Ų139.878%0.78275%0.749SS**  77.689.3104.6176.90000113.9D516V514-D516 HydrophobicContact CG1-CB 4.47Å
515I34Very low31.3Very low158 Ų158141.7 Ų141.781%0.8175%0.753SS**  trans-153.3118.2149.2-51.4-179.5000103.2
516D28.4Very low30.9Very low141 Ų141143.9 Ų143.975%0.75475%0.752SS**  cis81.775.66.6-134.241.7000115.8V514V514-D516 HydrophobicContact CG1-CB 4.47Å
517Y32.6Very low30.7Very low204 Ų204139.9 Ų139.980%0.874%0.741SS**  trans-161.5142.8149.2-97.8-69.7000110.1
518D32.6Very low30.6Very low125 Ų125140.4 Ų140.467%0.66875%0.745SS**  trans36.9144154.7-51.8-30.4000121.5
519D37Very low30.5Very low126 Ų126138.4 Ų138.467%0.67474%0.737SS**  cis-130142.62.9-98.4-51.1000108.3
520R30.9Very low30.5Very low195 Ų195137.3 Ų137.374%0.73674%0.739SS**  54139.374.8-68.1178.9158.3-167.22.4115.7
521I30.7Very low30.4Very low129 Ų129132.7 Ų132.766%0.66274%0.737SS**  trans66.7128.5137.3-70.5172.5000116.8
522N39.1Very low30.6Very low127 Ų127131.3 Ų131.368%0.67974%0.737SS**  cis-144.6124.70.3-98.3-9.8000108.3
523T30.3Very low30.7Very low110 Ų110128.1 Ų128.168%0.67573%0.727SS**  68.2116.66870.60000116.6
524A34.8Very low30.8Very low96 Ų96131.8 Ų131.879%0.79373%0.733SS**  -159.5139.9122.200000110.2
525T31Very low31Very low117 Ų117133.6 Ų133.672%0.71874%0.737SS**  cis-159.1155.7-16.3-89.50000108.8
526F27Very low30.9Very low188 Ų188129.9 Ų129.983%0.82573%0.73SS**  trans-24169.2160.8-63.8-103.7000117.9
527A27.9Very low31Very low78 Ų78130.2 Ų130.265%0.64573%0.732SS**  cis-158.5141.825.900000110.4
528S26.9Very low31Very low120 Ų120125 Ų12584%0.83973%0.726SS**  91.5158.484.181.40000115.6
529S28.3Very low31Very low96 Ų96122.1 Ų122.167%0.67173%0.725SS**  trans-92.1154.7-174.254.90000114.3
530L28.7Very low30.6Very low154 Ų154125.3 Ų125.381%0.80673%0.733SS**  trans55.1119.1146.7-65.6167.9000120.3
531C27.9Very low30.5Very low110 Ų110122.3 Ų122.374%0.74374%0.736SS**  trans71.3102.3140.3-62.50000121.3
532S31.1Very low30.2Very low98 Ų98121.7 Ų121.769%0.68574%0.738SS**  90.9105.9125.1-59.60000121.9
533N31.6Very low29.8Very low133 Ų133122.9 Ų122.971%0.71174%0.743SS**  86.9104.7126.9-61.9-3.7000122.6
534N30.2Very low29.7Very low134 Ų134127.9 Ų127.972%0.71775%0.75SS**  93.3140.2115.2-68.8-13.3000124
535L29.5Very low29.3Very low167 Ų167134.3 Ų134.387%0.87475%0.753SS**  trans66.6151.8157.4-93.566.4000117.5
536A31.6Very low29.7Very low79 Ų79134.1 Ų134.165%0.65375%0.754SS**  cis-140.7-179.1-13.800000107.2
537D32.4Very low29.7Very low149 Ų149135.1 Ų135.180%0.79776%0.758SS**  168.516755.5-151.347.7000106.1
538S32.4Very low29.9Very low95 Ų95140 Ų14066%0.66477%0.768SS**  cis-157.3172.4-22.738.70000110.2
539G32.7Very low30.5Very low63 Ų63139.1 Ų139.165%0.64976%0.759SS**  trans134.684.1176.600000112
540F27Very low30.4Very low194 Ų194139.6 Ų139.685%0.85176%0.763SS**  45.3127.791.2-71.9-86.4000113.7
541V29.6Very low30.2Very low131 Ų131142.5 Ų142.579%0.79476%0.763SS**  cis-139.4149.439.1167.30000113.3
542T25.1Very low30Very low117 Ų117143.5 Ų143.572%0.71876%0.76SS**  trans-81.6150.2172.3560000113.7
543I30Very low29.6Very low152 Ų152143.5 Ų143.578%0.77976%0.756SS**  trans-158.1137.3140.7-107.9150.8000115.2
544R27.9Very low29.4Very low214 Ų214144.2 Ų144.281%0.80876%0.758SS**  trans-23163.9153.4-54.4163.5-174.6172.3-0116.1
545R26.3Very low29.4Very low231 Ų231145.3 Ų145.387%0.87276%0.761SS**  cis-169.1175.2-8.8-111.6-178176.3172.5-1.2107.9
546P38.8Very low29.6Very low114 Ų114143.8 Ų143.874%0.7475%0.754SS**  trans-93163-174.337.3-37.1000115.3
547K27.3Very low29.8Very low209 Ų209149.7 Ų149.791%0.90976%0.759SS**  trans-178.6152.6142.6-104.8168.2-176.7-174.80113.6
548Q33Very low29.7Very low179 Ų179148.7 Ų148.784%0.83675%0.754SS**  trans-103.6-176.6149.9-55-170.4-5.700108.1
549P39.1Very low29.9Very low103 Ų103147.6 Ų147.667%0.66976%0.758SS**  cis-129-153.1-11.738.5-19.2000111.9
550S27.1Very low29.9Very low106 Ų106148.4 Ų148.474%0.74177%0.766SS**  trans70.9157.4156.933.20000119
551R23.8Very low30.1Very low214 Ų214146.4 Ų146.481%0.80876%0.764SS**  cis-179.8153.4-19.4166.5177.3177.3-155.3-6.6108.3
552L22.6Very low30.4Very low131 Ų131146.3 Ų146.369%0.68676%0.764SS**  trans68.2155.4169.1-103.269.8000115.1
553T24.6Very low30.9Very low99 Ų99144.4 Ų144.461%0.60776%0.76SS**  cis-172.6167.9-25.615.40000113.9
554I25.8Very low31Very low147 Ų147142.4 Ų142.475%0.75476%0.76SS**  trans81153140.4-78.6158.6000118.9
555M31.7Very low31.1Very low158 Ų158139 Ų13978%0.77876%0.758SS**  trans69.8126.3-172.7-39.1-168.879.100113.8
556N33.4Very low31.3Very low134 Ų134138.8 Ų138.872%0.71776%0.757SS**  cis-162.6158.7-1.1-109.9-2.5000108
557R35.9Very low30.8Very low204 Ų204142 Ų14277%0.7776%0.759SS**  cis-155-159.7-6.5-147.4-158.9138.4123.213.9109.9
558D30.2Very low30.7Very low127 Ų127136.5 Ų136.568%0.67975%0.747SS**  trans-80.7170.9-173.8-34.8-50.5000113.8
559G36.7Very low30.3Very low73 Ų73135.3 Ų135.375%0.75375%0.746SS**  cis-151.11690.400000110.4
560G32.4Very low29.7Very low80 Ų80136 Ų13683%0.82575%0.749SS**  96.1134.884.500000110.8
561D31.8Very low29.7Very low151 Ų151136.2 Ų136.281%0.80775%0.75SS**  cis-164.3165.21.3-151.3-4.7000111.1
562V35.9Very low30Very low129 Ų129130.4 Ų130.478%0.78275%0.747SS**  trans51.3136.5157.2171.30000119.6
563A34.9Very low30.1Very low77 Ų77130.9 Ų130.964%0.63675%0.746SS**  cis-156.6139.8-1.200000108.7
564S32.6Very low30.4Very low111 Ų111135.9 Ų135.978%0.77676%0.76SS**  74.111189.6-44.60000117.3
565D28.9Very low30.5Very low143 Ų143135.2 Ų135.277%0.76575%0.753SS**  trans18.8137.9146.2-50.4-34.2000120.5
566R30Very low30.3Very low225 Ų225132.5 Ų132.585%0.84975%0.75SS**  -171.1147.172.6-87.6-179.6-85.8-171.4-7.6115.1
567F29Very low30.2Very low181 Ų181130.5 Ų130.579%0.79475%0.747SS**  trans32.6103.4140.4-69.4-85.8000122.5
568S25.5Very low30.1Very low95 Ų95130.6 Ų130.666%0.66475%0.747SS**  60.5129.4116.8710000123.6
569L25.3Very low30.1Very low154 Ų154131 Ų13181%0.80675%0.749SS**  trans76.4129.8151.9-66.7168.4000119.1
570T24.7Very low29.6Very low118 Ų118137.9 Ų137.972%0.72475%0.754SS**  trans50.6143.5151.654.80000119.3
571S27.6Very low29.5Very low109 Ų109139.5 Ų139.576%0.76274%0.743SS**  cis169.4113.4-8.9-90.80000103.4
572A30.7Very low29.4Very low92 Ų92135.8 Ų135.876%0.7672%0.723SS**  trans-162.6125.9162.400000106
573E24.8Very low29.1Very low141 Ų141134 Ų13466%0.65971%0.709SS**  cis67.780.840.7-56.9-145.195.500114.4H575E573-H575 IonicContact OE1-CE1 3.14Å; E573-H575 PolarHBondContact OE1-CE1 2.61Å; E573-H575 IonicContact OE1-ND1 3.35Å; E573-H575 PolarHBondContact OE1-ND1 2.97Å; E573-H575 IonicContact OE2-CE1 3.93Å
574F31.7Very low29Very low204 Ų204137.9 Ų137.990%0.89571%0.712SS**  -119.7118.5111.4-76-93000106.5
575H27.1Very low29.2Very low134 Ų134138.3 Ų138.362%0.6271%0.71SS**  68.9130.562.1-690.9000112.3E573E573-H575 IonicContact OE1-CE1 3.14Å; E573-H575 PolarHBondContact OE1-CE1 2.61Å; E573-H575 IonicContact OE1-ND1 3.35Å; E573-H575 PolarHBondContact OE1-ND1 2.97Å; E573-H575 IonicContact OE2-CE1 3.93Å
576S27.9Very low29.2Very low100 Ų100142 Ų14270%0.69971%0.713SS**  cis-154.3174.5-2.572.80000113.1
577S31.4Very low29.1Very low93 Ų93137.9 Ų137.965%0.6571%0.708SS**  trans81.1132.5156.3-58.40000117.8
578R32Very low29.2Very low206 Ų206134.7 Ų134.778%0.77771%0.708SS**  cis-158.7147.9-4-122.8-176159.8123.8-3.6112.4
579D31.2Very low30.1Very low134 Ų134134.9 Ų134.972%0.71771%0.707SS**  trans62161.6145.3-55.4-24.2000122
580Y26.6Very low30.3Very low218 Ų218137.1 Ų137.186%0.85571%0.705SS**  trans-77.5166.7-174.2-97-117.9000113.7
581N30Very low30.7Very low114 Ų114138 Ų13861%0.6170%0.701SS**  trans90.4118.5157.9-63.8-43.1000119.7
582N30Very low31.1Very low73 Ų73140.4 Ų140.439%0.3970%0.703SS.*  trans84.9110.4134.3-68.3-28.1000122.8Y140Y140-N582 WeakPolarHBondContact CD1-ND2 3.48Å; Y140-N582 VanDerWaalsContact CD2-ND2 3.26Å; Y140-N582 WeakPolarHBondContact CD2-ND2 3.39Å; Y140-N582 VanDerWaalsContact CD2-OD1 3.32Å; Y140-N582 WeakPolarHBondContact CD2-OD1 3.19Å; Y140-N582 WeakPolarHBondContact CE1-ND2 3.34Å; Y140-N582 WeakPolarHBondContact CE2-OD1 3.26Å
583N30Very low31.2Very low91 Ų91139.8 Ų139.849%0.48769%0.694SS.*  81.3127.4126.3-68-33000122N139N139-N583 PolarHBondContact OD1-ND2 2.96Å; N139-N583 VanDerWaalsContact OD1-ND2 3.11Å
584K31.5Very low32.2Very low160 Ų160138.5 Ų138.570%0.69670%0.697SS**  trans74126.4150.1-82.9-179.5174.9168.30120.1
585T36.6Very low32.3Very low120 Ų120138 Ų13874%0.73670%0.695SS**  trans68.5143.2143.249.30000119.8
586R29.2Very low32.7Very low220 Ų220136.6 Ų136.683%0.8370%0.695SS**  cis-168.8161.6-26.4-126.9-179-170.11710.5108.5
587N28.7Very low32.9Very low138 Ų138138.5 Ų138.574%0.73870%0.698SS**  trans68.3104158.7-59.62.4000121
588S30.4Very low33Very low114 Ų114139.1 Ų139.180%0.79770%0.702SS**  66.5-164.7119.6-131.70000118.6
589P44Very low33.1Very low99 Ų99135 Ų13564%0.64370%0.7SS**  -112.2-167.7-63.520.20.5000112.3
590R30.2Very low33.2Very low202 Ų202135.7 Ų135.776%0.76270%0.704SS**  172146.875-84.1-164.3-176.1-116.77.2115.8
591H32.5Very low33.4Very low137 Ų137131.7 Ų131.763%0.63470%0.697SS**  trans63.7163.4138.6-76.6-95.6000120.1S593H591-S593 PolarHBondContact ND1-OG 2.95Å
592I37.3Very low33.5Very low158 Ų158133.5 Ų133.581%0.8170%0.702SS**  cis-143.6136.346.5-74.9165.1000109.3
593S32.2Very low33.4Very low80 Ų80137.7 Ų137.756%0.55972%0.719SS**  cis94.5171.543.5-68.30000113.1H591H591-S593 PolarHBondContact ND1-OG 2.95Å
594P45.2Very low33.4Very low113 Ų113141.1 Ų141.173%0.73474%0.736SS**  -141.2-172.1-52.642.1-25.9000114.5
595K33.9Very low33.4Very low193 Ų193137.2 Ų137.284%0.83974%0.741SS**  trans137.5150.4149.1-82.2-153.1172.7-167.60114
596V36.8Very low33.1Very low105 Ų105139 Ų13964%0.63675%0.746SS**  cis-160.4141.7-19.5117.40000111.3
597D31.3Very low33.1Very low140 Ų140135.3 Ų135.375%0.74974%0.743SS**  trans41155.6150.5-43.8-25.5000127.2
598S33.8Very low33.3Very low106 Ų106139.9 Ų139.974%0.74175%0.75SS**  trans96.693.1150.7-61.10000123.3
599T33.8Very low33.5Very low120 Ų120138.6 Ų138.674%0.73674%0.741SS**  58.2127.5123.351.70000124.9
600D32.7Very low33Very low148 Ų148141.1 Ų141.179%0.79175%0.749SS**  trans87.6116.9133.2-55.7-7.4000124.4
601D31.3Very low33.1Very low134 Ų134137 Ų13772%0.71775%0.751SS**  trans63.2127.8138-101.915.3000127.6
602Q33Very low33Very low153 Ų153141.4 Ų141.472%0.71576%0.762SS**  trans59.4115.2138.4-70.5-170.977.300124.6
603H28Very low32.6Very low160 Ų160139.4 Ų139.474%0.74176%0.758SS**  trans70.3133132.7-109.5-101.3000123
604L29.1Very low32.4Very low163 Ų163142.3 Ų142.385%0.85377%0.766SS**  trans54.3110.7155.6-74.2161.4000119.6
605G31.6Very low31.7Very low78 Ų78143 Ų14380%0.80477%0.768SS**  trans-178.676.8167.100000115.7
606N30.1Very low31.9Very low157 Ų157138 Ų13884%0.8476%0.756SS**  trans-75127164.6-86.8-18.4000109.9
607N29Very low31.5Very low144 Ų144140.9 Ų140.977%0.7776%0.762SS**  162.6165.8122.7-88.7-55.3000113.6
608R32.2Very low31.3Very low233 Ų233139.7 Ų139.788%0.87976%0.76SS**  trans75.9126.4166.6-67162.8-169.4-166.91.9115.4
609S35.1Very low31.1Very low87 Ų87141.4 Ų141.461%0.60877%0.766SS**  cis-155.4138.81.9-87.70000114.3
610N34.1Very low30.8Very low152 Ų152139 Ų13981%0.81377%0.765SS**  trans61.6140.9137.3-54.8-9.2000120
611S33.2Very low30.7Very low115 Ų115137.9 Ų137.980%0.80476%0.763SS**  cis-147.2-174.5-1.7-155.50000112.5
612R30.3Very low30.6Very low231 Ų231137.6 Ų137.687%0.87277%0.767SS**  trans-109.7173.3-163.6-56.3165177.8143.7-6113.6
613T28.8Very low30.3Very low116 Ų116135.6 Ų135.671%0.71277%0.769SS**  127110.5128.8-55.60000118.6
614L28.4Very low30.8Very low141 Ų141133.9 Ų133.974%0.73877%0.773SS**  trans41.8118.1140.3-81169.1000124.9
615T28.4Very low30.7Very low127 Ų127132.3 Ų132.378%0.77977%0.774SS**  70.6-174.5129.866.70000119.6
616P39Very low30.7Very low89 Ų89135.4 Ų135.458%0.57877%0.771SS**  -128-161.1-91.340.7-22000115.1
617H27.5Very low30.6Very low165 Ų165133.6 Ų133.676%0.76477%0.767SS**  trans65.1154.9160.565.5-131.4000120.3
618T28.1Very low30.5Very low115 Ų115137.4 Ų137.471%0.70677%0.771SS**  cis-164.4158.3-2927.50000110.7
619T29.6Very low30.2Very low141 Ų141137.6 Ų137.687%0.86577%0.772SS**  trans62.1155.8160.447.80000118.5
620G28.3Very low29.8Very low70 Ų70137.8 Ų137.872%0.72277%0.773SS**  cis175.9-165.92.600000108.9
621V28.9Very low29.7Very low124 Ų124138 Ų13875%0.75277%0.773SS**  cis-158.9170.3-12.9-164.70000107.5
622T30.7Very low29.4Very low129 Ų129138.8 Ų138.879%0.79177%0.768SS**  trans75.4151.3165.576.70000118.7
623S26.2Very low29.5Very low110 Ų110135.6 Ų135.677%0.76977%0.765SS**  cis-160.6169.5-19.3-100.80000111.3
624P38.2Very low29.5Very low124 Ų124134.8 Ų134.881%0.80576%0.764SS**  trans-109.4168.5-154.240.8-37000117.8
625C26.8Very low29.9Very low131 Ų131133.5 Ų133.589%0.88576%0.762SS**  trans-155.2169.3152.5-156.90000113
626I31.7Very low30.5Very low143 Ų143137.2 Ų137.273%0.73377%0.768SS**  trans-116.1142.6-165.4-59.7159.7000111.1
627P28.2Very low30.6Very low118 Ų118138 Ų13877%0.76677%0.767SS**  -137133.7126.834.4-22.5000114.2
628R26.6Very low31.7Very low224 Ų224133.9 Ų133.985%0.84576%0.755SS**  trans-63.7150.5168.7-59.8171.7173.6-177.7-3111.3
629R26.7Very low32.5Very low238 Ų238133.8 Ų133.890%0.89875%0.75SS**  trans-164.2157.7131.1-104.4151.3-168.5120-4.4112.6
630S26.8Very low33.2Very low90 Ų90131.1 Ų131.163%0.62974%0.743SS**  trans-76.1133.8-167.848.60000114.2N632S630-N632 PolarHBondContact O-N 3.01Å
631L32.1Very low34.4Very low158 Ų158132.7 Ų132.783%0.82773%0.73SS**  trans-86.487.3154.7-73.3178.3000109.6M633L631-M633 HydrophobicContact CB-CE 4.31Å; L631-M633 PolarHBondContact O-N 3.01Å
632N26.5Very low35.3Very low130 Ų130131.9 Ų131.970%0.69572%0.721SS**  trans-62125.1158.4-71.7-13000107.5S630 S634S630-N632 PolarHBondContact O-N 3.01Å; N632-S634 PolarHBondContact O-N 3Å
633M31.6Very low36.6Very low165 Ų165127.4 Ų127.481%0.81369%0.694SS**  trans-72.979.2165-76.1-64.910200109L631L631-M633 HydrophobicContact CB-CE 4.31Å; L631-M633 PolarHBondContact O-N 3.01Å
634S30.3Very low38.4Very low98 Ų98130.7 Ų130.769%0.68569%0.689SS**PPolyproline II helixtrans-57.5154.4168.1-164.80000110N632 K636N632-S634 PolarHBondContact O-N 3Å; S634-K636 PolarHBondContact O-N 3.49Å; S634-K636 VanDerWaalsContact O-N 3.16Å
635T35Very low40Very low114 Ų114128.7 Ų128.770%0.69968%0.675SS**PPolyproline II helixtrans-47.5118.9175.647.10000111.2D637T635-D637 PolarHBondContact O-N 2.88Å
636K41Very low42.6Very low205 Ų205127.4 Ų127.489%0.89166%0.658SS**PPolyproline II helixtrans-58122.1162.3-81.3-171.8174.8-1770107.7S634S634-K636 PolarHBondContact O-N 3.49Å; S634-K636 VanDerWaalsContact O-N 3.16Å
637D41.6Very low45.1Very low107 Ų107121.7 Ų121.757%0.57264%0.635SS**PPolyproline II helixtrans-58.6129.3-174.8-72.4-71.3000111.6T635 N639 A640T635-D637 PolarHBondContact O-N 2.88Å; D637-N639 HydrophobicContact CB-CB 4.42Å; D637-N639 PolarHBondContact O-N 3.46Å; D637-N639 VanDerWaalsContact O-N 3.07Å; D637-A640 WeakPolarHBondContact O-CB 3.15Å; D637-A640 PolarHBondContact O-N 3.19Å; D637-A640 VanDerWaalsContact O-N 3.11Å
638P50.7Low48Very low77 Ų77121 Ų12150%0.562%0.621SS.*G310 helixtrans-59.7-22.2170.225.8-33.6000111.4A640 R669P638-A640 PolarHBondContact O-N 3.02Å; P638-R669 PolarHBondContact O-NH1 2.99Å; P638-R669 PolarHBondContact O-NH2 2.93Å
639N45.5Very low51.1Low113 Ų113114 Ų11460%0.60460%0.603SS**G310 helixtrans-71.3-4.8177.3-71.8-15.8000115.4D637 F641 R669D637-N639 HydrophobicContact CB-CB 4.42Å; D637-N639 PolarHBondContact O-N 3.46Å; D637-N639 VanDerWaalsContact O-N 3.07Å; N639-F641 PolarHBondContact O-N 2.77Å; N639-R669 VanDerWaalsContact CA-NH1 3.34Å; N639-R669 PolarHBondContact OD1-NH1 2.76Å
640A45Very low54.3Low86 Ų86104.7 Ų104.771%0.71157%0.57SS**G310 helixtrans-71.4-24.7178.100000114.4D637 P638D637-A640 WeakPolarHBondContact O-CB 3.15Å; D637-A640 PolarHBondContact O-N 3.19Å; D637-A640 VanDerWaalsContact O-N 3.11Å; P638-A640 PolarHBondContact O-N 3.02Å
641F51.6Low57.5Low103 Ų103105.7 Ų105.745%0.45257%0.565SS.*SBendtrans-79.4134.6175-62.7-79.3000111N639 T643 Q739N639-F641 PolarHBondContact O-N 2.77Å; F641-T643 PolarHBondContact O-N 2.8Å; F641-Q739 HydrophobicContact CD1-CB 3.86Å; F641-Q739 HydrophobicContact CE1-CB 4.4Å
642N48.3Very low60.5Low107 Ų10798.2 Ų98.257%0.57253%0.526SS*.  trans-76.676176.2-168.4-6.1000110.5R644 T645 Q739N642-R644 PolarHBondContact O-N 2.66Å; N642-T645 PolarHBondContact O-N 3.37Å; N642-T645 PolarHBondContact O-OG1 2.99Å; N642-Q739 PolarHBondContact O-NE2 2.68Å
643T58.3Low63.8Low35 Ų3596.7 Ų96.722%0.21552%0.515CS..THydrogen-bonded Turntrans-53.2-15.2-166.7460000117F641 Y683 R704F641-T643 PolarHBondContact O-N 2.8Å; T643-Y683 WeakPolarHBondContact CB-OH 3.39Å; T643-Y683 HydrophobicContact CG2-CE1 4.24Å; T643-Y683 HydrophobicContact CG2-CE2 4.38Å; T643-Y683 WeakPolarHBondContact CG2-OH 3.28Å; T643-R704 PolarHBondContact O-NH1 3.42Å
644R64.6Low66.8Low179 Ų17989 Ų8968%0.67548%0.477SS*.THydrogen-bonded Turntrans-72.6-35.4-177.1-61.9-178.5-174.8-106-8.2112.6N642 T673N642-R644 PolarHBondContact O-N 2.66Å; R644-T673 PolarHBondContact NH2-OG1 3.44Å
645T70.4Confident69.8Low82 Ų8287.7 Ų87.750%0.50346%0.464SS..SBendtrans-82.4142.9178.1490000111.7N642 Q739N642-T645 PolarHBondContact O-N 3.37Å; N642-T645 PolarHBondContact O-OG1 2.99Å; T645-Q739 PolarHBondContact O-NE2 3.01Å; T645-Q739 PolarHBondContact OG1-NE2 2.93Å
646I81.3Confident72.6Confident104 Ų10483.8 Ų83.853%0.53344%0.438SS..  trans-81.2122.8168.5-64.8176.4000106.7T649 L706 S737I646-T649 HydrophobicContact CG2-CG2 3.81Å; I646-L706 HydrophobicContact CD1-CD1 4.5Å; I646-L706 HydrophobicContact CD1-CD2 4.45Å; I646-L706 HydrophobicContact CG1-CD2 4.48Å; I646-L706 HydrophobicContact CG2-CD1 4.1Å; I646-S737 WeakPolarHBondContact CG2-OG 3.23Å
647G86.2Confident75Confident23 Ų2376.5 Ų76.524%0.23741%0.408CS..  trans-87-158.9171.500000111.6T649 S737 R738G647-T649 PolarHBondContact O-N 2.99Å; G647-S737 WeakPolarHBondContact CA-OG 3.13Å; G647-S737 PolarHBondContact N-OG 3.48Å; G647-S737 PolarHBondContact O-OG 3.5Å; G647-S737 VanDerWaalsContact O-OG 3.12Å; G647-R738 CarbonylContact C-O 3.58Å; G647-R738 WeakPolarHBondContact CA-O 3.41Å
648Q88.3Confident77.2Confident104 Ų10476.6 Ų76.649%0.48642%0.416SS..EExtended strand (participates in β ladder)trans-54.4124.6177.5-175.2-169.528.500110.6M650 S737 R738 I740Q648-M650 HydrophobicContact CG-CE 4.36Å; Q648-S737 CarbonylContact O-C 3.47Å; Q648-S737 WeakPolarHBondContact O-CA 3.31Å; Q648-R738 PolarHBondContact N-O 3.31Å; Q648-R738 PolarHBondContact O-N 3.07Å; Q648-I740 HydrophobicContact CB-CD1 3.84Å; Q648-I740 HydrophobicContact CB-CG1 4.12Å; Q648-I740 HydrophobicContact CG-CD1 4.41Å
649T92.1Very high78.8Confident77 Ų7777.9 Ų77.947%0.47243%0.428SS..EExtended strand (participates in β ladder)trans-89.3146.2174.548.40000111.5I646 G647 L706 I736I646-T649 HydrophobicContact CG2-CG2 3.81Å; G647-T649 PolarHBondContact O-N 2.99Å; T649-L706 HydrophobicContact CG2-CD1 3.7Å; T649-I736 CarbonylContact C-O 3.58Å; T649-I736 VanDerWaalsContact CA-O 3.26Å; T649-I736 WeakPolarHBondContact CA-O 3.29Å
650M92.2Very high80.8Confident41 Ų4175.1 Ų75.120%0.20242%0.415CS..EExtended strand (participates in β ladder)trans-153.2147.2174.263.6-166.475.800111.5Q648 I652 I736 R738Q648-M650 HydrophobicContact CG-CE 4.36Å; M650-I652 HydrophobicContact CG-CD1 4.24Å; M650-I652 HydrophobicContact CG-CG1 4.25Å; M650-I652 HydrophobicContact SD-CD1 4.33Å; M650-I736 HydrophobicContact CE-CD1 4.07Å; M650-I736 HydrophobicContact CG-CD1 3.52Å; M650-I736 HydrophobicContact CG-CG1 3.62Å; M650-I736 PolarHBondContact N-O 2.91Å; M650-I736 PolarHBondContact O-N 2.85Å; M650-I736 HydrophobicContact SD-CD1 3.83Å; M650-I736 HydrophobicContact SD-CG1 4.33Å; M650-R738 HydrophobicContact CE-CB 3.93Å
651H95.1Very high83.1Confident111 Ų11171.9 Ų71.951%0.51439%0.389SS..EExtended strand (participates in β ladder)trans-92130.5174-74.1-104.3000110.5D733 L734H651-D733 IonicContact CE1-OD2 3.6Å; H651-D733 IonicContact CG-OD2 3.78Å; H651-D733 IonicContact ND1-OD1 3.72Å; H651-D733 IonicContact ND1-OD2 2.74Å; H651-D733 PolarHBondContact ND1-OD2 3.42Å; H651-L734 WeakPolarHBondContact CA-O 3.47Å
652I94.8Very high85.2Confident2 Ų267.8 Ų67.81%0.0137%0.372CS..EExtended strand (participates in β ladder)trans-129.699.6179.2-55178.9000108.7M650 L654 R698 L699 L734 I736M650-I652 HydrophobicContact CG-CD1 4.24Å; M650-I652 HydrophobicContact CG-CG1 4.25Å; M650-I652 HydrophobicContact SD-CD1 4.33Å; I652-L654 HydrophobicContact CG2-CD2 3.97Å; I652-L654 HydrophobicContact CG2-CG 4.17Å; I652-R698 HydrophobicContact CD1-CB 4.13Å; I652-R698 HydrophobicContact CG1-CB 4.42Å; I652-R698 HydrophobicContact CG2-CB 4.47Å; I652-L699 HydrophobicContact CD1-CB 4.12Å; I652-L699 HydrophobicContact CD1-CD1 3.83Å; I652-L699 HydrophobicContact CG2-CB 4.46Å; I652-L734 PolarHBondContact N-O 2.91Å; I652-L734 WeakPolarHBondContact O-CB 3.41Å; I652-L734 PolarHBondContact O-N 3.26Å; I652-I736 HydrophobicContact CD1-CG1 3.84Å; I652-I736 HydrophobicContact CG1-CG1 4.5Å
653Q95.3Very high87.4Confident98 Ų9862.9 Ų62.946%0.45835%0.347SS..EExtended strand (participates in β ladder)trans-79126173.6-65.2-179.4-13.800111.2Q731 V732 D733Q653-Q731 HydrophobicContact CB-CG 4.27Å; Q653-V732 CarbonylContact C-O 3.48Å; Q653-V732 VanDerWaalsContact CA-O 3.3Å; Q653-V732 WeakPolarHBondContact CA-O 3.46Å; Q653-D733 HydrophobicContact CG-CB 4.05Å; Q653-D733 WeakPolarHBondContact CG-OD1 3.42Å
654L95.4Very high89.1Confident3 Ų362.5 Ų62.52%0.01634%0.342CS..EExtended strand (participates in β ladder)trans-125137.7177.4-61-178.7000110.8I652 L662 F664 A692 A693 D696 L699 Q731 V732 L734I652-L654 HydrophobicContact CG2-CD2 3.97Å; I652-L654 HydrophobicContact CG2-CG 4.17Å; L654-L662 HydrophobicContact CB-CD2 3.92Å; L654-F664 HydrophobicContact CD1-CD1 4.14Å; L654-F664 HydrophobicContact CD1-CE1 3.86Å; L654-A692 HydrophobicContact CB-CB 4.32Å; L654-A693 HydrophobicContact CD1-CB 3.89Å; L654-D696 HydrophobicContact CD2-CB 3.56Å; L654-L699 HydrophobicContact CD1-CD2 4.28Å; L654-Q731 CarbonylContact O-C 3.55Å; L654-Q731 WeakPolarHBondContact O-CA 3.14Å; L654-V732 HydrophobicContact CB-CG1 4.26Å; L654-V732 PolarHBondContact N-O 3.48Å; L654-V732 WeakPolarHBondContact O-CG1 3.47Å; L654-V732 PolarHBondContact O-N 2.81Å; L654-L734 HydrophobicContact CD1-CD1 3.82Å; L654-L734 HydrophobicContact CG-CD1 4.41Å
655T93.8Very high90.6Very high70 Ų7056.3 Ų56.343%0.42933%0.325SS..EExtended strand (participates in β ladder)trans-96.4124.1173.8-55.10000110.2M657 A692 G729T655-M657 PolarHBondContact O-N 2.86Å; T655-A692 WeakPolarHBondContact O-CB 3.25Å; T655-G729 WeakPolarHBondContact CG2-O 3.45Å
656K94.1Very high91.7Very high32 Ų3253.6 Ų53.614%0.13931%0.307CS..  trans-69.8113.1-177.4-173.4168.8178174.40111L662 L723 R724 L726 G729 K730K656-L662 HydrophobicContact CB-CD2 3.94Å; K656-L662 HydrophobicContact CB-CG 4.32Å; K656-L662 HydrophobicContact CG-CD2 4.42Å; K656-L662 HydrophobicContact CG-CG 4.26Å; K656-L723 PolarHBondContact NZ-O 3.44Å; K656-R724 PolarHBondContact NZ-O 2.59Å; K656-L726 HydrophobicContact CD-CB 3.64Å; K656-L726 HydrophobicContact CD-CD1 4.47Å; K656-L726 WeakPolarHBondContact CD-O 3.36Å; K656-L726 WeakPolarHBondContact CE-O 3.43Å; K656-L726 PolarHBondContact NZ-O 3.34Å; K656-G729 PolarHBondContact O-N 2.73Å; K656-K730 PolarHBondContact N-O 2.95Å
657M91Very high92.3Very high53 Ų5350.9 Ų50.926%0.26130%0.295SS..BIsolated β-bridgetrans-73.5145.5178.6-62178.271.100111.5T655 T660 G661 A692 Q695T655-M657 PolarHBondContact O-N 2.86Å; M657-T660 WeakPolarHBondContact CB-OG1 3.31Å; M657-T660 PolarHBondContact SD-OG1 2.89Å; M657-T660 VanDerWaalsContact SD-OG1 3.34Å; M657-G661 PolarHBondContact N-O 2.9Å; M657-G661 WeakPolarHBondContact O-CA 3.1Å; M657-G661 PolarHBondContact O-N 2.95Å; M657-A692 HydrophobicContact CG-CB 4.37Å; M657-Q695 PolarHBondContact SD-OE1 3.34Å
658S86.8Confident92.5Very high108 Ų10850.5 Ų50.576%0.75529%0.289SS*.THydrogen-bonded Turntrans-66.2-37.7-178.7-48.70000113.7
659S85.7Confident92Very high105 Ų10547.4 Ų47.473%0.73427%0.273SS*.THydrogen-bonded Turntrans-88.3-35-177480000113.8
660T87.1Confident90.6Very high55 Ų5550.5 Ų50.534%0.33729%0.286SS..THydrogen-bonded Turntrans-124.7-2.8-168.355.20000114.5M657 L662 D690M657-T660 WeakPolarHBondContact CB-OG1 3.31Å; M657-T660 PolarHBondContact SD-OG1 2.89Å; M657-T660 VanDerWaalsContact SD-OG1 3.34Å; T660-L662 PolarHBondContact O-N 2.67Å; T660-D690 WeakPolarHBondContact CB-O 3.12Å; T660-D690 WeakPolarHBondContact CG2-O 3.47Å; T660-D690 PolarHBondContact OG1-O 3.44Å
661G92.5Very high89Confident17 Ų1752 Ų5218%0.17530%0.298CS..BIsolated β-bridgetrans65.5-129.4179.800000112.7M657M657-G661 PolarHBondContact N-O 2.9Å; M657-G661 WeakPolarHBondContact O-CA 3.1Å; M657-G661 PolarHBondContact O-N 2.95Å
662L95.1Very high86.9Confident17 Ų1755.5 Ų55.59%0.08932%0.315CS..THydrogen-bonded Turntrans-97.3-10.4-177.3-67.7170.4000114.1L654 K656 T660 F664 A693 L723 L726 V732L654-L662 HydrophobicContact CB-CD2 3.92Å; K656-L662 HydrophobicContact CB-CD2 3.94Å; K656-L662 HydrophobicContact CB-CG 4.32Å; K656-L662 HydrophobicContact CG-CD2 4.42Å; K656-L662 HydrophobicContact CG-CG 4.26Å; T660-L662 PolarHBondContact O-N 2.67Å; L662-F664 HydrophobicContact CB-CD1 3.86Å; L662-F664 HydrophobicContact CB-CE1 3.65Å; L662-F664 HydrophobicContact CD1-CE1 4.05Å; L662-F664 HydrophobicContact CD1-CZ 4.42Å; L662-F664 HydrophobicContact CG-CE1 4.41Å; L662-F664 PolarHBondContact O-N 3.46Å; L662-A693 VanDerWaalsContact O-CB 3.26Å; L662-A693 WeakPolarHBondContact O-CB 3.49Å; L662-A693 PolarHBondContact O-N 3.21Å; L662-L723 HydrophobicContact CD1-CB 4.22Å; L662-L723 HydrophobicContact CD1-CD2 3.89Å; L662-L723 HydrophobicContact CD1-CG 4.49Å; L662-L726 HydrophobicContact CD1-CD1 4.1Å; L662-V732 HydrophobicContact CD1-CG1 4.09Å; L662-V732 HydrophobicContact CD2-CG1 3.76Å
663G94.6Very high84.8Confident4 Ų459.6 Ų59.64%0.04134%0.34CS..  trans70.723.717600000116.6L688G663-L688 WeakPolarHBondContact O-CB 3.49Å; G663-L688 PolarHBondContact O-N 3.01Å
664F95.5Very high82.3Confident27 Ų2764.3 Ų64.312%0.11836%0.362CS..EExtended strand (participates in β ladder)trans-142163.9174.170-90.6000113.6L654 L662 L666 V684 I687 A693 L699 L723 L734L654-F664 HydrophobicContact CD1-CD1 4.14Å; L654-F664 HydrophobicContact CD1-CE1 3.86Å; L662-F664 HydrophobicContact CB-CD1 3.86Å; L662-F664 HydrophobicContact CB-CE1 3.65Å; L662-F664 HydrophobicContact CD1-CE1 4.05Å; L662-F664 HydrophobicContact CD1-CZ 4.42Å; L662-F664 HydrophobicContact CG-CE1 4.41Å; L662-F664 PolarHBondContact O-N 3.46Å; F664-L666 HydrophobicContact CD2-CD2 3.95Å; F664-L666 HydrophobicContact CD2-CG 4.1Å; F664-L666 HydrophobicContact CE2-CD1 4.11Å; F664-L666 HydrophobicContact CE2-CD2 3.7Å; F664-L666 HydrophobicContact CE2-CG 3.81Å; F664-V684 HydrophobicContact CB-CG1 4.42Å; F664-I687 HydrophobicContact CB-CD1 3.94Å; F664-A693 HydrophobicContact CB-CB 4.18Å; F664-A693 HydrophobicContact CD1-CB 3.96Å; F664-L699 HydrophobicContact CB-CD2 4.12Å; F664-L699 HydrophobicContact CD1-CD2 3.71Å; F664-L699 HydrophobicContact CD2-CD2 4.23Å; F664-L699 HydrophobicContact CE1-CD2 4.08Å; F664-L699 HydrophobicContact CG-CD2 3.78Å; F664-L723 HydrophobicContact CE2-CD1 4.06Å; F664-L723 HydrophobicContact CZ-CD1 3.77Å; F664-L734 HydrophobicContact CE1-CD1 3.86Å; F664-L734 HydrophobicContact CZ-CD1 3.77Å
665T94.5Very high80.2Confident50 Ų5067.4 Ų67.431%0.30738%0.384SS..EExtended strand (participates in β ladder)trans-123.4149.3178.759.20000111V684 K685 K686 L688T665-V684 CarbonylContact O-C 3.41Å; T665-K685 PolarHBondContact O-N 2.81Å; T665-K686 PolarHBondContact N-O 3.37Å; T665-K686 WeakPolarHBondContact OG1-CB 3.47Å; T665-K686 PolarHBondContact OG1-N 3.21Å; T665-K686 VanDerWaalsContact OG1-N 3.15Å; T665-K686 PolarHBondContact OG1-O 3.49Å; T665-L688 HydrophobicContact CG2-CD1 4.38Å; T665-L688 HydrophobicContact CG2-CD2 3.93Å; T665-L688 HydrophobicContact CG2-CG 4.24Å
666L94.9Very high78.2Confident25 Ų2570.4 Ų70.413%0.13141%0.407CS..EExtended strand (participates in β ladder)trans-118159.3-176.6-67176.5000112.1F664 V682 Y683 V684 L705 L716 V719 L720 L723F664-L666 HydrophobicContact CD2-CD2 3.95Å; F664-L666 HydrophobicContact CD2-CG 4.1Å; F664-L666 HydrophobicContact CE2-CD1 4.11Å; F664-L666 HydrophobicContact CE2-CD2 3.7Å; F664-L666 HydrophobicContact CE2-CG 3.81Å; L666-V682 HydrophobicContact CB-CG1 4.14Å; L666-V682 HydrophobicContact CD1-CG1 4.02Å; L666-V682 HydrophobicContact CD2-CG1 3.93Å; L666-V682 HydrophobicContact CG-CG1 4.27Å; L666-Y683 CarbonylContact C-O 3.58Å; L666-Y683 VanDerWaalsContact CA-O 3.28Å; L666-Y683 WeakPolarHBondContact CA-O 3.29Å; L666-Y683 WeakPolarHBondContact CD2-O 3.36Å; L666-V684 HydrophobicContact CD2-CG2 4.12Å; L666-L705 HydrophobicContact CD1-CD2 4.37Å; L666-L705 HydrophobicContact CD2-CD2 4.47Å; L666-L716 HydrophobicContact CB-CD1 3.66Å; L666-V719 HydrophobicContact CD1-CG1 3.28Å; L666-L720 HydrophobicContact CD1-CD2 4.32Å; L666-L723 HydrophobicContact CD1-CD1 3.9Å
667T92.9Very high76.4Confident46 Ų4678 Ų7828%0.28244%0.443SS..EExtended strand (participates in β ladder)trans-144.7146171.3-165.80000110.5Y683 K685T667-Y683 PolarHBondContact N-O 3.18Å; T667-Y683 PolarHBondContact O-N 2.79Å; T667-K685 HydrophobicContact CG2-CB 4.01Å; T667-K685 HydrophobicContact CG2-CG 4.39Å
668S89.8Confident74.9Confident15 Ų1582.1 Ų82.111%0.10546%0.464CS..  trans-83.6-179.9156.8-164.70000109.2
669R78.9Confident74.1Confident40 Ų4078.6 Ų78.615%0.15144%0.439CS..  trans-129.2128.7151.3-59.2-175.5-152.5177.96.3108.5P638 N639 T671P638-R669 PolarHBondContact O-NH1 2.99Å; P638-R669 PolarHBondContact O-NH2 2.93Å; N639-R669 VanDerWaalsContact CA-NH1 3.34Å; N639-R669 PolarHBondContact OD1-NH1 2.76Å; R669-T671 HydrophobicContact CB-CG2 4.22Å; R669-T671 PolarHBondContact O-N 3.5Å
670D63.5Low73.9Confident141 Ų14177.1 Ų77.175%0.75442%0.423SS*.  trans-79.763.5-177.7-53.4-12.7000109.9Q672D670-Q672 PolarHBondContact O-N 3.18Å
671T56.7Low73.9Confident74 Ų7475.5 Ų75.545%0.45441%0.414SS..  trans-73.191.2178.8510000109.6R669 T673R669-T671 HydrophobicContact CB-CG2 4.22Å; R669-T671 PolarHBondContact O-N 3.5Å; T671-T673 PolarHBondContact O-N 3.41Å
672Q51.9Low73.9Confident184 Ų18474.7 Ų74.786%0.8641%0.405SS*.  trans-58.113.3179.2-79.6-174.9-13.200116D670 Q674D670-Q672 PolarHBondContact O-N 3.18Å; Q672-Q674 PolarHBondContact O-N 3.5Å
673T50.6Low73.9Confident88 Ų8874.6 Ų74.654%0.5440%0.404SS..  trans-76.668.717755.90000112.8R644 T671 S675R644-T673 PolarHBondContact NH2-OG1 3.44Å; T671-T673 PolarHBondContact O-N 3.41Å; T673-S675 PolarHBondContact O-N 3.45Å; T673-S675 VanDerWaalsContact O-N 3.08Å
674Q43.7Very low73.9Confident197 Ų19774.5 Ų74.592%0.92140%0.402SS*.SBendtrans2272.5147.3-60.6-178.4-2.100117.8Q672Q672-Q674 PolarHBondContact O-N 3.5Å
675S50.2Low73.8Confident68 Ų6880 Ų8048%0.47643%0.426SS..  trans-146.3115140.962.50000110T673 Q677 M678T673-S675 PolarHBondContact O-N 3.45Å; T673-S675 VanDerWaalsContact O-N 3.08Å; S675-Q677 PolarHBondContact O-N 3.12Å; S675-M678 PolarHBondContact O-N 2.66Å
676S52.5Low73.8Confident132 Ų13283.1 Ų83.192%0.92344%0.436SS*.THydrogen-bonded Turntrans-77.835.2-170.362.10000114.2
677Q56.7Low73.7Confident192 Ų19283.4 Ų83.490%0.89744%0.437SS*.THydrogen-bonded Turntrans-145.7-6178.4-72.7-165.1-53.500113.7S675S675-Q677 PolarHBondContact O-N 3.12Å
678M58.1Low73.7Confident139 Ų13984.4 Ų84.469%0.68544%0.44SS*.SBendtrans-83.4132.4175-154.475.671.500109.4S675S675-M678 PolarHBondContact O-N 2.66Å
679S70.3Confident73.3Confident34 Ų3487.4 Ų87.424%0.23846%0.459CS..PPolyproline II helixtrans-67.1138.217540.50000111.7P681 R714S679-P681 WeakPolarHBondContact O-CD 3.01Å; S679-R714 WeakPolarHBondContact CB-O 3.18Å
680D82Confident73.5Confident75 Ų7591.4 Ų91.440%0.40148%0.483SS..PPolyproline II helixtrans-66.3116.4177.6-81.7-32.3000109.7V682 R714D680-V682 PolarHBondContact O-N 3.32Å; D680-R714 PolarHBondContact N-O 3.28Å
681P87.7Confident74.7Confident21 Ų2184.7 Ų84.714%0.13645%0.448CS..PPolyproline II helixtrans-73119-172.628.7-34000111.1S679 Y683S679-P681 WeakPolarHBondContact O-CD 3.01Å; P681-Y683 HydrophobicContact CB-CE2 3.76Å; P681-Y683 HydrophobicContact CG-CE2 3.97Å; P681-Y683 VanDerWaalsContact O-CD2 3.24Å; P681-Y683 WeakPolarHBondContact O-CD2 3.5Å; P681-Y683 WeakPolarHBondContact O-CE2 3.37Å
682V92.4Very high76.4Confident0 Ų081.5 Ų81.50%043%0.429CS..PPolyproline II helixtrans-88.2134.9179.9179.10000110.5L666 D680 R704 L705 V713 L716L666-V682 HydrophobicContact CB-CG1 4.14Å; L666-V682 HydrophobicContact CD1-CG1 4.02Å; L666-V682 HydrophobicContact CD2-CG1 3.93Å; L666-V682 HydrophobicContact CG-CG1 4.27Å; D680-V682 PolarHBondContact O-N 3.32Å; V682-R704 WeakPolarHBondContact O-CA 3.31Å; V682-L705 HydrophobicContact CB-CB 4.3Å; V682-L705 HydrophobicContact CG1-CB 4.27Å; V682-L705 PolarHBondContact O-N 3.21Å; V682-V713 HydrophobicContact CB-CG1 3.78Å; V682-V713 HydrophobicContact CG2-CG1 3.49Å; V682-V713 VanDerWaalsContact CG2-CG1 3.49Å; V682-L716 HydrophobicContact CG1-CD1 3.9Å; V682-L716 HydrophobicContact CG2-CB 4.11Å; V682-L716 HydrophobicContact CG2-CD1 4.37Å
683Y94.1Very high78.4Confident14 Ų1472.8 Ų72.86%0.05539%0.388CS..EExtended strand (participates in β ladder)trans-123.6147.3179-62.5-86.1000111.9T643 L666 T667 P681 K685 D703 R704T643-Y683 WeakPolarHBondContact CB-OH 3.39Å; T643-Y683 HydrophobicContact CG2-CE1 4.24Å; T643-Y683 HydrophobicContact CG2-CE2 4.38Å; T643-Y683 WeakPolarHBondContact CG2-OH 3.28Å; L666-Y683 CarbonylContact C-O 3.58Å; L666-Y683 VanDerWaalsContact CA-O 3.28Å; L666-Y683 WeakPolarHBondContact CA-O 3.29Å; L666-Y683 WeakPolarHBondContact CD2-O 3.36Å; T667-Y683 PolarHBondContact N-O 3.18Å; T667-Y683 PolarHBondContact O-N 2.79Å; P681-Y683 HydrophobicContact CB-CE2 3.76Å; P681-Y683 HydrophobicContact CG-CE2 3.97Å; P681-Y683 VanDerWaalsContact O-CD2 3.24Å; P681-Y683 WeakPolarHBondContact O-CD2 3.5Å; P681-Y683 WeakPolarHBondContact O-CE2 3.37Å; Y683-K685 PolarHBondContact O-N 3.42Å; Y683-D703 CarbonylContact C-O 3.59Å; Y683-D703 VanDerWaalsContact CA-O 3.32Å; Y683-D703 WeakPolarHBondContact CA-O 3.46Å; Y683-R704 HydrophobicContact CD1-CB 3.98Å; Y683-R704 HydrophobicContact CD1-CG 4.44Å; Y683-R704 HydrophobicContact CE1-CB 3.66Å; Y683-R704 HydrophobicContact CE1-CG 3.93Å
684V94.5Very high80.3Confident2 Ų272.2 Ų72.21%0.01238%0.381CS..EExtended strand (participates in β ladder)trans-69.3112.4164.7-1770000108.7F664 T665 L666 I687 L699 L700 G702 D703 L705F664-V684 HydrophobicContact CB-CG1 4.42Å; T665-V684 CarbonylContact O-C 3.41Å; L666-V684 HydrophobicContact CD2-CG2 4.12Å; V684-I687 HydrophobicContact CG1-CD1 3.68Å; V684-L699 HydrophobicContact CG2-CD1 4.04Å; V684-L699 HydrophobicContact CG2-CD2 4.23Å; V684-L699 HydrophobicContact CG2-CG 4.2Å; V684-L700 WeakPolarHBondContact CB-O 3.31Å; V684-L700 WeakPolarHBondContact CG1-O 3.26Å; V684-G702 PolarHBondContact O-N 2.93Å; V684-D703 HydrophobicContact CB-CB 4.41Å; V684-D703 HydrophobicContact CG2-CB 4.09Å; V684-D703 PolarHBondContact N-O 2.97Å; V684-L705 HydrophobicContact CG2-CD1 4.39Å
685K94.1Very high82.4Confident142 Ų14268.2 Ų68.262%0.61736%0.363SS*.EExtended strand (participates in β ladder)trans-79.1-42.4-177.2-175.8176.6-174.5165.80112.1T665 T667 Y683T665-K685 PolarHBondContact O-N 2.81Å; T667-K685 HydrophobicContact CG2-CB 4.01Å; T667-K685 HydrophobicContact CG2-CG 4.39Å; Y683-K685 PolarHBondContact O-N 3.42Å
686K93.7Very high84.3Confident117 Ų11765.7 Ų65.751%0.50934%0.343SS..EExtended strand (participates in β ladder)trans-162.7137.7-178.7166.6173.4179.9-173.50109.8T665T665-K686 PolarHBondContact N-O 3.37Å; T665-K686 WeakPolarHBondContact OG1-CB 3.47Å; T665-K686 PolarHBondContact OG1-N 3.21Å; T665-K686 VanDerWaalsContact OG1-N 3.15Å; T665-K686 PolarHBondContact OG1-O 3.49Å
687I94Very high86.1Confident31 Ų3159.4 Ų59.416%0.15930%0.3CS..EExtended strand (participates in β ladder)trans-79135.1162.4-49.6-57.9000108.7F664 V684 A693 I694 L699F664-I687 HydrophobicContact CB-CD1 3.94Å; V684-I687 HydrophobicContact CG1-CD1 3.68Å; I687-A693 HydrophobicContact CD1-CB 4.32Å; I687-A693 HydrophobicContact CG2-CB 4.23Å; I687-I694 HydrophobicContact CG2-CB 3.84Å; I687-L699 HydrophobicContact CD1-CB 4.19Å; I687-L699 HydrophobicContact CD1-CD2 3.93Å; I687-L699 HydrophobicContact CD1-CG 3.93Å; I687-L699 WeakPolarHBondContact CD1-O 3.45Å; I687-L699 WeakPolarHBondContact CG1-O 3.33Å
688L93Very high87.7Confident66 Ų6653 Ų5335%0.34627%0.268SS..PPolyproline II helixtrans-84.3147.5176.1-59177.7000109.6G663 T665 I694G663-L688 WeakPolarHBondContact O-CB 3.49Å; G663-L688 PolarHBondContact O-N 3.01Å; T665-L688 HydrophobicContact CG2-CD1 4.38Å; T665-L688 HydrophobicContact CG2-CD2 3.93Å; T665-L688 HydrophobicContact CG2-CG 4.24Å; L688-I694 WeakPolarHBondContact O-CG2 3.39Å
689P79.8Confident89.4Confident79 Ų7946.4 Ų46.451%0.51324%0.235SC..SBendtrans-58151.3156.930.6-34.2000108.8
690D83.2Confident90.4Very high123 Ų12346.7 Ų46.766%0.65823%0.233SC*.SBendtrans57.277.9173-44.4-41.2000114.3T660T660-D690 WeakPolarHBondContact CB-O 3.12Å; T660-D690 WeakPolarHBondContact CG2-O 3.47Å; T660-D690 PolarHBondContact OG1-O 3.44Å
691G89.8Confident90.9Very high0 Ų046.1 Ų46.10%024%0.24CC..SBendtrans179.9173.2172.800000114A693 I694 Q695G691-A693 VanDerWaalsContact C-N 3.32Å; G691-A693 PolarHBondContact O-N 2.88Å; G691-I694 WeakPolarHBondContact O-CG2 3.08Å; G691-I694 PolarHBondContact O-N 3.43Å; G691-I694 VanDerWaalsContact O-N 3.13Å; G691-Q695 PolarHBondContact O-N 3.43Å; G691-Q695 VanDerWaalsContact O-N 3.1Å
692A92.2Very high91.1Very high8 Ų847.4 Ų47.47%0.06626%0.257CS..Hα-helixtrans-54-42.6-170.700000114.3L654 T655 M657 I694 Q695 D696L654-A692 HydrophobicContact CB-CB 4.32Å; T655-A692 WeakPolarHBondContact O-CB 3.25Å; M657-A692 HydrophobicContact CG-CB 4.37Å; A692-I694 PolarHBondContact O-N 3.37Å; A692-Q695 PolarHBondContact O-N 2.99Å; A692-D696 PolarHBondContact O-N 3.17Å
693A94.1Very high91.1Very high0 Ų047.6 Ų47.60%026%0.257CS..Hα-helixtrans-64.3-35.3-179.300000114.2L654 L662 F664 I687 G691 G697 L699L654-A693 HydrophobicContact CD1-CB 3.89Å; L662-A693 VanDerWaalsContact O-CB 3.26Å; L662-A693 WeakPolarHBondContact O-CB 3.49Å; L662-A693 PolarHBondContact O-N 3.21Å; F664-A693 HydrophobicContact CB-CB 4.18Å; F664-A693 HydrophobicContact CD1-CB 3.96Å; I687-A693 HydrophobicContact CD1-CB 4.32Å; I687-A693 HydrophobicContact CG2-CB 4.23Å; G691-A693 VanDerWaalsContact C-N 3.32Å; G691-A693 PolarHBondContact O-N 2.88Å; A693-G697 PolarHBondContact O-N 3.18Å; A693-L699 HydrophobicContact CB-CB 4.42Å; A693-L699 HydrophobicContact CB-CD2 3.96Å
694I90.8Very high91.1Very high77 Ų7749.1 Ų49.140%0.39526%0.263SS..Hα-helixtrans-81-28.3176.2-170.3165.6000112I687 L688 G691 A692I687-I694 HydrophobicContact CG2-CB 3.84Å; L688-I694 WeakPolarHBondContact O-CG2 3.39Å; G691-I694 WeakPolarHBondContact O-CG2 3.08Å; G691-I694 PolarHBondContact O-N 3.43Å; G691-I694 VanDerWaalsContact O-N 3.13Å; A692-I694 PolarHBondContact O-N 3.37Å
695Q87.9Confident91Very high113 Ų11349.1 Ų49.153%0.52826%0.263SS..Hα-helixtrans-71.3-35.9173.5-70.2-175.6-10.700113.2M657 G691 A692M657-Q695 PolarHBondContact SD-OE1 3.34Å; G691-Q695 PolarHBondContact O-N 3.43Å; G691-Q695 VanDerWaalsContact O-N 3.1Å; A692-Q695 PolarHBondContact O-N 2.99Å
696D89.8Confident91Very high14 Ų1443.6 Ų43.68%0.07524%0.24CC..Hα-helixtrans-77.3-34.8170.5-179.8-94000111.9L654 A692 R698 N867L654-D696 HydrophobicContact CD2-CB 3.56Å; A692-D696 PolarHBondContact O-N 3.17Å; D696-R698 PolarHBondContact O-N 3.25Å; D696-R698 VanDerWaalsContact O-N 3.14Å; D696-R698 WeakPolarHBondContact OD1-CB 3.16Å; D696-R698 WeakPolarHBondContact OD1-CG 3.12Å; D696-R698 IonicContact OD1-CZ 3.57Å; D696-R698 PolarHBondContact OD1-N 3.04Å; D696-R698 IonicContact OD1-NE 2.81Å; D696-R698 PolarHBondContact OD1-NE 2.9Å; D696-R698 IonicContact OD1-NH2 3.63Å; D696-R698 PolarHBondContact OD1-NH2 3.18Å; D696-R698 IonicContact OD2-CZ 2.61Å; D696-R698 IonicContact OD2-NE 3.83Å; D696-R698 PolarHBondContact OD2-NE 2.91Å; D696-R698 IonicContact OD2-NH2 2.68Å; D696-R698 PolarHBondContact OD2-NH2 3.33Å; D696-N867 WeakPolarHBondContact O-CB 3.15Å; D696-N867 WeakPolarHBondContact OD2-CB 3.5Å; D696-N867 PolarHBondContact OD2-ND2 3.34Å
697G89.2Confident91Very high1 Ų138.6 Ų38.61%0.0122%0.22CC..  trans80-17.5168.900000115.9A693 N797A693-G697 PolarHBondContact O-N 3.18Å; G697-N797 PolarHBondContact O-ND2 2.8Å; G697-N797 PolarHBondContact O-OD1 3.46Å
698R90.1Very high91.1Very high58 Ų5837.1 Ų37.122%0.21921%0.213CC..  trans-76.9-25.5-174.2-62.5177.5-69.1165-4.8114.6I652 D696 R738 G865 N867I652-R698 HydrophobicContact CD1-CB 4.13Å; I652-R698 HydrophobicContact CG1-CB 4.42Å; I652-R698 HydrophobicContact CG2-CB 4.47Å; D696-R698 PolarHBondContact O-N 3.25Å; D696-R698 VanDerWaalsContact O-N 3.14Å; D696-R698 WeakPolarHBondContact OD1-CB 3.16Å; D696-R698 WeakPolarHBondContact OD1-CG 3.12Å; D696-R698 IonicContact OD1-CZ 3.57Å; D696-R698 PolarHBondContact OD1-N 3.04Å; D696-R698 IonicContact OD1-NE 2.81Å; D696-R698 PolarHBondContact OD1-NE 2.9Å; D696-R698 IonicContact OD1-NH2 3.63Å; D696-R698 PolarHBondContact OD1-NH2 3.18Å; D696-R698 IonicContact OD2-CZ 2.61Å; D696-R698 IonicContact OD2-NE 3.83Å; D696-R698 PolarHBondContact OD2-NE 2.91Å; D696-R698 IonicContact OD2-NH2 2.68Å; D696-R698 PolarHBondContact OD2-NH2 3.33Å; R698-R738 PolarHBondContact O-NH2 2.98Å; R698-G865 WeakPolarHBondContact CD-O 3.42Å; R698-N867 HydrophobicContact CG-CB 4.38Å
699L94.4Very high91.1Very high0 Ų037.3 Ų37.30%021%0.214CC..  trans-80.6129.3179.7-168.772.1000110.3I652 L654 F664 V684 I687 A693 L734 I736I652-L699 HydrophobicContact CD1-CB 4.12Å; I652-L699 HydrophobicContact CD1-CD1 3.83Å; I652-L699 HydrophobicContact CG2-CB 4.46Å; L654-L699 HydrophobicContact CD1-CD2 4.28Å; F664-L699 HydrophobicContact CB-CD2 4.12Å; F664-L699 HydrophobicContact CD1-CD2 3.71Å; F664-L699 HydrophobicContact CD2-CD2 4.23Å; F664-L699 HydrophobicContact CE1-CD2 4.08Å; F664-L699 HydrophobicContact CG-CD2 3.78Å; V684-L699 HydrophobicContact CG2-CD1 4.04Å; V684-L699 HydrophobicContact CG2-CD2 4.23Å; V684-L699 HydrophobicContact CG2-CG 4.2Å; I687-L699 HydrophobicContact CD1-CB 4.19Å; I687-L699 HydrophobicContact CD1-CD2 3.93Å; I687-L699 HydrophobicContact CD1-CG 3.93Å; I687-L699 WeakPolarHBondContact CD1-O 3.45Å; I687-L699 WeakPolarHBondContact CG1-O 3.33Å; A693-L699 HydrophobicContact CB-CB 4.42Å; A693-L699 HydrophobicContact CB-CD2 3.96Å; L699-L734 HydrophobicContact CD2-CD1 4.42Å; L699-I736 HydrophobicContact CD1-CG2 3.91Å
700L92.2Very high91.7Very high39 Ų3936.8 Ų36.820%0.20422%0.223CC..  trans-118.7157.3-176.9-61.1-177.3000112.2V684 D703 N797 P828V684-L700 WeakPolarHBondContact CB-O 3.31Å; V684-L700 WeakPolarHBondContact CG1-O 3.26Å; L700-D703 PolarHBondContact N-OD2 2.79Å; L700-D703 WeakPolarHBondContact O-CB 3.48Å; L700-D703 PolarHBondContact O-N 2.86Å; L700-N797 HydrophobicContact CD2-CB 4.02Å; L700-N797 VanDerWaalsContact CD2-ND2 3.31Å; L700-N797 WeakPolarHBondContact CD2-ND2 3.28Å; L700-P828 HydrophobicContact CD1-CG 4.01Å; L700-P828 HydrophobicContact CD2-CG 4.28Å
701A92.2Very high92.2Very high64 Ų6435.3 Ų35.353%0.52921%0.213SC..THydrogen-bonded Turntrans-67.7135.6166.400000110
702G91.3Very high92.3Very high48 Ų4840.8 Ų40.850%0.49524%0.238SC..THydrogen-bonded Turntrans98.1-15.8-173.600000114.8V684 R704V684-G702 PolarHBondContact O-N 2.93Å; G702-R704 PolarHBondContact O-N 3.02Å
703D93.1Very high92.2Very high3 Ų340.8 Ų40.82%0.01624%0.237CC..PPolyproline II helixtrans-59.7133174.6-74-21.9000111.1Y683 V684 L700 I736 R738Y683-D703 CarbonylContact C-O 3.59Å; Y683-D703 VanDerWaalsContact CA-O 3.32Å; Y683-D703 WeakPolarHBondContact CA-O 3.46Å; V684-D703 HydrophobicContact CB-CB 4.41Å; V684-D703 HydrophobicContact CG2-CB 4.09Å; V684-D703 PolarHBondContact N-O 2.97Å; L700-D703 PolarHBondContact N-OD2 2.79Å; L700-D703 WeakPolarHBondContact O-CB 3.48Å; L700-D703 PolarHBondContact O-N 2.86Å; D703-I736 HydrophobicContact CB-CB 4.35Å; D703-I736 HydrophobicContact CB-CD1 3.96Å; D703-I736 HydrophobicContact CB-CG1 4.29Å; D703-R738 IonicContact OD1-CZ 3.79Å; D703-R738 IonicContact OD1-NE 2.69Å; D703-R738 PolarHBondContact OD1-NE 2.81Å; D703-R738 IonicContact OD1-NH2 2.65Å; D703-R738 PolarHBondContact OD1-NH2 3.2Å; D703-R738 IonicContact OD2-CZ 2.66Å; D703-R738 IonicContact OD2-NE 3.97Å; D703-R738 IonicContact OD2-NH2 2.73Å; D703-R738 PolarHBondContact OD2-NH2 3.25Å
704R92.8Very high91.9Very high46 Ų4648.3 Ų48.317%0.17427%0.266CS..EExtended strand (participates in β ladder)trans-85127.8172.4-176.1178.8170.2176.8-6.9109.2T643 V682 Y683 G702 L706 I736 S737T643-R704 PolarHBondContact O-NH1 3.42Å; V682-R704 WeakPolarHBondContact O-CA 3.31Å; Y683-R704 HydrophobicContact CD1-CB 3.98Å; Y683-R704 HydrophobicContact CD1-CG 4.44Å; Y683-R704 HydrophobicContact CE1-CB 3.66Å; Y683-R704 HydrophobicContact CE1-CG 3.93Å; G702-R704 PolarHBondContact O-N 3.02Å; R704-L706 HydrophobicContact CG-CD2 4.23Å; R704-I736 CarbonylContact O-C 3.59Å; R704-I736 VanDerWaalsContact O-CA 3.25Å; R704-I736 WeakPolarHBondContact O-CA 3.49Å; R704-S737 PolarHBondContact N-O 3.44Å; R704-S737 PolarHBondContact O-N 3.11Å
705L94Very high91.8Very high2 Ų246.4 Ų46.41%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-78.9129.5172.3-13375000109.3L666 V682 V684 I708 V713 V719 I736L666-L705 HydrophobicContact CD1-CD2 4.37Å; L666-L705 HydrophobicContact CD2-CD2 4.47Å; V682-L705 HydrophobicContact CB-CB 4.3Å; V682-L705 HydrophobicContact CG1-CB 4.27Å; V682-L705 PolarHBondContact O-N 3.21Å; V684-L705 HydrophobicContact CG2-CD1 4.39Å; L705-I708 HydrophobicContact CD2-CD1 3.61Å; L705-I708 HydrophobicContact CD2-CG1 3.84Å; L705-V713 HydrophobicContact CB-CG2 4.19Å; L705-V713 HydrophobicContact CD2-CG2 4.21Å; L705-V713 HydrophobicContact CG-CG2 4.35Å; L705-V719 HydrophobicContact CD2-CG1 3.87Å; L705-I736 HydrophobicContact CD1-CG2 3.78Å
706L93Very high92Very high27 Ų2742.9 Ų42.914%0.14124%0.244CC..EExtended strand (participates in β ladder)trans-109.5-45.7177.5-61.7-173.2000112.5I646 T649 R704 V713 L735I646-L706 HydrophobicContact CD1-CD1 4.5Å; I646-L706 HydrophobicContact CD1-CD2 4.45Å; I646-L706 HydrophobicContact CG1-CD2 4.48Å; I646-L706 HydrophobicContact CG2-CD1 4.1Å; T649-L706 HydrophobicContact CG2-CD1 3.7Å; R704-L706 HydrophobicContact CG-CD2 4.23Å; L706-V713 WeakPolarHBondContact O-CB 3.32Å; L706-V713 WeakPolarHBondContact O-CG2 3.41Å; L706-V713 PolarHBondContact O-N 2.87Å; L706-L735 HydrophobicContact CB-CD2 4.11Å; L706-L735 HydrophobicContact CB-CG 4.06Å; L706-L735 WeakPolarHBondContact CB-O 3.46Å; L706-L735 HydrophobicContact CD1-CD2 4.37Å; L706-L735 HydrophobicContact CD1-CG 4.33Å; L706-L735 PolarHBondContact N-O 2.9Å
707A94.2Very high92.1Very high11 Ų1148.2 Ų48.29%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-147.2158.8177.600000112.6E711 L735A707-E711 CarbonylContact C-O 3.58Å; A707-E711 WeakPolarHBondContact CA-O 3.26Å; A707-E711 VanDerWaalsContact CB-O 3.3Å; A707-E711 WeakPolarHBondContact CB-O 3.11Å; A707-L735 HydrophobicContact CB-CB 3.97Å; A707-L735 HydrophobicContact CB-CD2 4.14Å; A707-L735 PolarHBondContact N-O 2.9Å; A707-L735 PolarHBondContact O-N 3.17Å
708I95.1Very high92.1Very high0 Ų050.3 Ų50.30%028%0.282CS..EExtended strand (participates in β ladder)trans-136.9121.9-178.9-54.8178.3000108.6L705 G710 E711 V713 V719 Q722 L723 V732 D733 L734L705-I708 HydrophobicContact CD2-CD1 3.61Å; L705-I708 HydrophobicContact CD2-CG1 3.84Å; I708-G710 PolarHBondContact O-N 2.89Å; I708-E711 PolarHBondContact N-O 3.02Å; I708-E711 PolarHBondContact O-N 3.09Å; I708-V713 HydrophobicContact CD1-CG2 4.34Å; I708-V713 HydrophobicContact CG1-CG2 4.11Å; I708-V719 HydrophobicContact CD1-CB 3.96Å; I708-V719 HydrophobicContact CD1-CG1 3.52Å; I708-V719 HydrophobicContact CD1-CG2 3.67Å; I708-Q722 HydrophobicContact CG2-CG 4.3Å; I708-Q722 PolarHBondContact O-NE2 3.48Å; I708-L723 HydrophobicContact CD1-CD1 4.16Å; I708-L723 HydrophobicContact CD1-CD2 4.1Å; I708-L723 HydrophobicContact CD1-CG 4Å; I708-L723 HydrophobicContact CG2-CD2 3.78Å; I708-V732 HydrophobicContact CG2-CG2 3.48Å; I708-V732 VanDerWaalsContact CG2-CG2 3.48Å; I708-D733 CarbonylContact C-O 3.6Å; I708-D733 WeakPolarHBondContact CA-O 3.22Å; I708-L734 HydrophobicContact CB-CD2 4.46Å; I708-L734 HydrophobicContact CG1-CD2 4.05Å; I708-L734 HydrophobicContact CG2-CD2 4.07Å
709D94.2Very high92.3Very high71 Ų7147.6 Ų47.638%0.3827%0.271SS..THydrogen-bonded Turntrans49.829.1-172.2-69.7-12.4000112.6K730 V732 D733D709-K730 IonicContact OD1-NZ 3.78Å; D709-K730 IonicContact OD2-NZ 2.87Å; D709-K730 PolarHBondContact OD2-NZ 3.35Å; D709-V732 VanDerWaalsContact OD1-CA 3.26Å; D709-V732 WeakPolarHBondContact OD1-CA 3.33Å; D709-V732 WeakPolarHBondContact OD1-CG2 3.16Å; D709-D733 PolarHBondContact N-O 2.94Å; D709-D733 PolarHBondContact OD1-N 3.25Å
710G92.6Very high92.3Very high68 Ų6849.4 Ų49.470%0.70128%0.281SS*.THydrogen-bonded Turntrans88.7-14.6-174.900000116.1I708I708-G710 PolarHBondContact O-N 2.89Å
711E92.9Very high92.3Very high92 Ų9250.6 Ų50.643%0.4329%0.292SS..EExtended strand (participates in β ladder)trans-77.7129.7176.2-69.6-166.2-177.700112.2A707 I708A707-E711 CarbonylContact C-O 3.58Å; A707-E711 WeakPolarHBondContact CA-O 3.26Å; A707-E711 VanDerWaalsContact CB-O 3.3Å; A707-E711 WeakPolarHBondContact CB-O 3.11Å; I708-E711 PolarHBondContact N-O 3.02Å; I708-E711 PolarHBondContact O-N 3.09Å
712E91.8Very high92.4Very high114 Ų11448.9 Ų48.953%0.53327%0.274SS..EExtended strand (participates in β ladder)trans-65.8136.7177.4-169-169.7-170.400112.8R714E712-R714 PolarHBondContact O-N 2.98Å
713V91.1Very high92.5Very high8 Ų847.3 Ų47.35%0.04825%0.254CS..  trans-74.799.7177.9172.90000111.1V682 L705 L706 I708 V719V682-V713 HydrophobicContact CB-CG1 3.78Å; V682-V713 HydrophobicContact CG2-CG1 3.49Å; V682-V713 VanDerWaalsContact CG2-CG1 3.49Å; L705-V713 HydrophobicContact CB-CG2 4.19Å; L705-V713 HydrophobicContact CD2-CG2 4.21Å; L705-V713 HydrophobicContact CG-CG2 4.35Å; L706-V713 WeakPolarHBondContact O-CB 3.32Å; L706-V713 WeakPolarHBondContact O-CG2 3.41Å; L706-V713 PolarHBondContact O-N 2.87Å; I708-V713 HydrophobicContact CD1-CG2 4.34Å; I708-V713 HydrophobicContact CG1-CG2 4.11Å; V713-V719 HydrophobicContact CB-CG2 4.06Å; V713-V719 HydrophobicContact CG1-CG2 3.55Å; V713-V719 HydrophobicContact CG2-CG2 3.67Å
714R86.9Confident92.5Very high159 Ų15955.6 Ų55.660%0.629%0.285SS*.  trans-91.8-29.6176.7-53.6-176.9-178.6125.71.9114.3S679 D680 E712S679-R714 WeakPolarHBondContact CB-O 3.18Å; D680-R714 PolarHBondContact N-O 3.28Å; E712-R714 PolarHBondContact O-N 2.98Å
715S88.9Confident92.5Very high37 Ų3757.9 Ų57.926%0.25931%0.308SS..  trans-156.7155.7179690000112.5N717 Q718 V719S715-N717 PolarHBondContact O-N 2.69Å; S715-Q718 PolarHBondContact O-N 3.35Å; S715-Q718 WeakPolarHBondContact OG-CB 3.08Å; S715-Q718 PolarHBondContact OG-N 3.35Å; S715-V719 WeakPolarHBondContact O-CG2 3.14Å; S715-V719 PolarHBondContact O-N 2.8Å
716L92Very high92.4Very high38 Ų3858.6 Ų58.620%0.19931%0.311CS..Hα-helixtrans-56.7-37.2173.5-178.168.2000112.5L666 V682 L720L666-L716 HydrophobicContact CB-CD1 3.66Å; V682-L716 HydrophobicContact CG1-CD1 3.9Å; V682-L716 HydrophobicContact CG2-CB 4.11Å; V682-L716 HydrophobicContact CG2-CD1 4.37Å; L716-L720 HydrophobicContact CD1-CD1 4.13Å; L716-L720 HydrophobicContact CD1-CG 4.21Å; L716-L720 HydrophobicContact CD2-CD1 4.35Å; L716-L720 HydrophobicContact CG-CD1 3.83Å; L716-L720 HydrophobicContact CG-CG 4.29Å; L716-L720 WeakPolarHBondContact O-CB 3.31Å; L716-L720 VanDerWaalsContact O-CG 3.24Å; L716-L720 WeakPolarHBondContact O-CG 3.26Å; L716-L720 PolarHBondContact O-N 3.49Å
717N91.3Very high92.4Very high127 Ų12761.5 Ų61.568%0.67933%0.331SS*.Hα-helixtrans-72.5-40.5-176.3-71.5-32.7000112.7S715 L720 S721S715-N717 PolarHBondContact O-N 2.69Å; N717-L720 PolarHBondContact O-N 2.91Å; N717-S721 PolarHBondContact O-N 2.84Å
718Q90.9Very high92.2Very high44 Ų4464.8 Ų64.821%0.20635%0.351CS..Hα-helixtrans-57.4-54.2171.6179.6-169.3-1400109.8S715 L720 S721 Q722S715-Q718 PolarHBondContact O-N 3.35Å; S715-Q718 WeakPolarHBondContact OG-CB 3.08Å; S715-Q718 PolarHBondContact OG-N 3.35Å; Q718-L720 PolarHBondContact O-N 2.99Å; Q718-S721 WeakPolarHBondContact O-CB 3.42Å; Q718-S721 PolarHBondContact O-N 2.82Å; Q718-S721 PolarHBondContact O-OG 3.48Å; Q718-Q722 PolarHBondContact O-N 3.5Å
719V93.2Very high92Very high1 Ų167.4 Ų67.41%0.00638%0.378CS..Hα-helixtrans-55.6-47.9179.3164.10000112.6L666 L705 I708 V713 S715 S721 Q722 L723L666-V719 HydrophobicContact CD1-CG1 3.28Å; L705-V719 HydrophobicContact CD2-CG1 3.87Å; I708-V719 HydrophobicContact CD1-CB 3.96Å; I708-V719 HydrophobicContact CD1-CG1 3.52Å; I708-V719 HydrophobicContact CD1-CG2 3.67Å; V713-V719 HydrophobicContact CB-CG2 4.06Å; V713-V719 HydrophobicContact CG1-CG2 3.55Å; V713-V719 HydrophobicContact CG2-CG2 3.67Å; S715-V719 WeakPolarHBondContact O-CG2 3.14Å; S715-V719 PolarHBondContact O-N 2.8Å; V719-S721 VanDerWaalsContact C-N 3.27Å; V719-S721 PolarHBondContact O-N 3.09Å; V719-Q722 PolarHBondContact O-N 3.34Å; V719-L723 HydrophobicContact CG1-CD1 3.77Å; V719-L723 HydrophobicContact CG1-CG 4.34Å; V719-L723 WeakPolarHBondContact O-CG 3.49Å; V719-L723 PolarHBondContact O-N 3.19Å
720L93.9Very high92Very high39 Ų3967.8 Ų67.820%0.20438%0.376CS..Hα-helixtrans-64.4-32.6178.4-74.7175.3000111.9L666 L716 N717 Q718 R724L666-L720 HydrophobicContact CD1-CD2 4.32Å; L716-L720 HydrophobicContact CD1-CD1 4.13Å; L716-L720 HydrophobicContact CD1-CG 4.21Å; L716-L720 HydrophobicContact CD2-CD1 4.35Å; L716-L720 HydrophobicContact CG-CD1 3.83Å; L716-L720 HydrophobicContact CG-CG 4.29Å; L716-L720 WeakPolarHBondContact O-CB 3.31Å; L716-L720 VanDerWaalsContact O-CG 3.24Å; L716-L720 WeakPolarHBondContact O-CG 3.26Å; L716-L720 PolarHBondContact O-N 3.49Å; N717-L720 PolarHBondContact O-N 2.91Å; Q718-L720 PolarHBondContact O-N 2.99Å; L720-R724 WeakPolarHBondContact O-CB 3.41Å; L720-R724 WeakPolarHBondContact O-CD 3.45Å; L720-R724 WeakPolarHBondContact O-CG 3.37Å; L720-R724 PolarHBondContact O-N 3.13Å
721S93Very high92.1Very high63 Ų6369.1 Ų69.144%0.44137%0.365SS..Hα-helixtrans-68.7-44.7174.7770000112N717 Q718 V719 R724 S725N717-S721 PolarHBondContact O-N 2.84Å; Q718-S721 WeakPolarHBondContact O-CB 3.42Å; Q718-S721 PolarHBondContact O-N 2.82Å; Q718-S721 PolarHBondContact O-OG 3.48Å; V719-S721 VanDerWaalsContact C-N 3.27Å; V719-S721 PolarHBondContact O-N 3.09Å; S721-R724 PolarHBondContact O-N 3.1Å; S721-S725 WeakPolarHBondContact O-CB 3.49Å; S721-S725 PolarHBondContact O-N 2.69Å; S721-S725 PolarHBondContact O-OG 3.29Å
722Q93.6Very high92.2Very high29 Ų2964.8 Ų64.814%0.13634%0.344CS..Hα-helixtrans-64-50.4179.8-167.3-176.37.700111.6I708 Q718 V719 R724 S725 L726I708-Q722 HydrophobicContact CG2-CG 4.3Å; I708-Q722 PolarHBondContact O-NE2 3.48Å; Q718-Q722 PolarHBondContact O-N 3.5Å; V719-Q722 PolarHBondContact O-N 3.34Å; Q722-R724 VanDerWaalsContact C-N 3.29Å; Q722-R724 PolarHBondContact O-N 3.39Å; Q722-S725 PolarHBondContact O-N 3.1Å; Q722-S725 PolarHBondContact O-OG 3.35Å; Q722-L726 WeakPolarHBondContact O-CG 3.32Å; Q722-L726 PolarHBondContact O-N 3.15Å
723L94.3Very high92.4Very high15 Ų1561 Ų618%0.07933%0.328CS..Hα-helixtrans-67.8-28.3179.2-63.8177.2000113K656 L662 F664 L666 I708 V719 L726 V732 L734K656-L723 PolarHBondContact NZ-O 3.44Å; L662-L723 HydrophobicContact CD1-CB 4.22Å; L662-L723 HydrophobicContact CD1-CD2 3.89Å; L662-L723 HydrophobicContact CD1-CG 4.49Å; F664-L723 HydrophobicContact CE2-CD1 4.06Å; F664-L723 HydrophobicContact CZ-CD1 3.77Å; L666-L723 HydrophobicContact CD1-CD1 3.9Å; I708-L723 HydrophobicContact CD1-CD1 4.16Å; I708-L723 HydrophobicContact CD1-CD2 4.1Å; I708-L723 HydrophobicContact CD1-CG 4Å; I708-L723 HydrophobicContact CG2-CD2 3.78Å; V719-L723 HydrophobicContact CG1-CD1 3.77Å; V719-L723 HydrophobicContact CG1-CG 4.34Å; V719-L723 WeakPolarHBondContact O-CG 3.49Å; V719-L723 PolarHBondContact O-N 3.19Å; L723-L726 HydrophobicContact CD2-CD1 4.07Å; L723-V732 HydrophobicContact CD2-CG2 3.96Å; L723-L734 HydrophobicContact CD2-CD2 4.12Å
724R93Very high92.7Very high177 Ų17760.7 Ų60.767%0.66833%0.326SS*.Hα-helixtrans-75.8-37.7174.4-73.8171.2-176.6156.3-1.1112.2K656 L720 S721 Q722K656-R724 PolarHBondContact NZ-O 2.59Å; L720-R724 WeakPolarHBondContact O-CB 3.41Å; L720-R724 WeakPolarHBondContact O-CD 3.45Å; L720-R724 WeakPolarHBondContact O-CG 3.37Å; L720-R724 PolarHBondContact O-N 3.13Å; S721-R724 PolarHBondContact O-N 3.1Å; Q722-R724 VanDerWaalsContact C-N 3.29Å; Q722-R724 PolarHBondContact O-N 3.39Å
725S91.9Very high93.1Very high94 Ų9455.1 Ų55.166%0.65731%0.308SS*.Hα-helixtrans-74.3-20.4-177.865.70000114.7S721 Q722 T727S721-S725 WeakPolarHBondContact O-CB 3.49Å; S721-S725 PolarHBondContact O-N 2.69Å; S721-S725 PolarHBondContact O-OG 3.29Å; Q722-S725 PolarHBondContact O-N 3.1Å; Q722-S725 PolarHBondContact O-OG 3.35Å; S725-T727 PolarHBondContact O-N 3.49Å
726L92.5Very high93.4Very high16 Ų1653.3 Ų53.38%0.08430%0.295CS..SBendtrans-47.8131.7169.2-65.2169.6000111.1K656 L662 Q722 L723 K730 V732K656-L726 HydrophobicContact CD-CB 3.64Å; K656-L726 HydrophobicContact CD-CD1 4.47Å; K656-L726 WeakPolarHBondContact CD-O 3.36Å; K656-L726 WeakPolarHBondContact CE-O 3.43Å; K656-L726 PolarHBondContact NZ-O 3.34Å; L662-L726 HydrophobicContact CD1-CD1 4.1Å; Q722-L726 WeakPolarHBondContact O-CG 3.32Å; Q722-L726 PolarHBondContact O-N 3.15Å; L723-L726 HydrophobicContact CD2-CD1 4.07Å; L726-K730 HydrophobicContact CD2-CD 3.67Å; L726-K730 HydrophobicContact CD2-CG 4.13Å; L726-V732 HydrophobicContact CD1-CB 3.67Å; L726-V732 HydrophobicContact CD1-CG1 3.91Å; L726-V732 HydrophobicContact CD1-CG2 4Å; L726-V732 HydrophobicContact CD2-CB 4.37Å
727T92.6Very high93.4Very high89 Ų8951.8 Ų51.855%0.54629%0.287SS..PPolyproline II helixtrans-68.1152.117043.60000111.2S725 K730S725-T727 PolarHBondContact O-N 3.49Å; T727-K730 WeakPolarHBondContact O-CB 3.3Å; T727-K730 PolarHBondContact O-N 2.98Å
728P91.6Very high93.4Very high79 Ų7948.2 Ų48.251%0.51327%0.265SS..THydrogen-bonded Turntrans-59.8146.6164.729.8-35.3000109.7K730P728-K730 PolarHBondContact O-N 3.46Å
729G90.8Very high92.8Very high56 Ų5649.2 Ų49.258%0.57727%0.269SS*.THydrogen-bonded Turntrans80.6-19.9-170.400000114.9T655 K656T655-G729 WeakPolarHBondContact CG2-O 3.45Å; K656-G729 PolarHBondContact O-N 2.73Å
730K93.5Very high91.6Very high78 Ų7854.3 Ų54.334%0.33930%0.295SS..  trans-72.3137.1175.6178.6169.9-178.1-61.50111.3K656 D709 L726 T727 P728K656-K730 PolarHBondContact N-O 2.95Å; D709-K730 IonicContact OD1-NZ 3.78Å; D709-K730 IonicContact OD2-NZ 2.87Å; D709-K730 PolarHBondContact OD2-NZ 3.35Å; L726-K730 HydrophobicContact CD2-CD 3.67Å; L726-K730 HydrophobicContact CD2-CG 4.13Å; T727-K730 WeakPolarHBondContact O-CB 3.3Å; T727-K730 PolarHBondContact O-N 2.98Å; P728-K730 PolarHBondContact O-N 3.46Å
731Q93.6Very high89.6Confident97 Ų9755.9 Ų55.945%0.45331%0.31SS..EExtended strand (participates in β ladder)trans-80.8142.2168.2-158.3-179.626.200110.9Q653 L654Q653-Q731 HydrophobicContact CB-CG 4.27Å; L654-Q731 CarbonylContact O-C 3.55Å; L654-Q731 WeakPolarHBondContact O-CA 3.14Å
732V95.6Very high87.2Confident1 Ų157.9 Ų57.91%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-123.9137.5170.660.90000109.1Q653 L654 L662 I708 D709 L723 L726 L734Q653-V732 CarbonylContact C-O 3.48Å; Q653-V732 VanDerWaalsContact CA-O 3.3Å; Q653-V732 WeakPolarHBondContact CA-O 3.46Å; L654-V732 HydrophobicContact CB-CG1 4.26Å; L654-V732 PolarHBondContact N-O 3.48Å; L654-V732 WeakPolarHBondContact O-CG1 3.47Å; L654-V732 PolarHBondContact O-N 2.81Å; L662-V732 HydrophobicContact CD1-CG1 4.09Å; L662-V732 HydrophobicContact CD2-CG1 3.76Å; I708-V732 HydrophobicContact CG2-CG2 3.48Å; I708-V732 VanDerWaalsContact CG2-CG2 3.48Å; D709-V732 VanDerWaalsContact OD1-CA 3.26Å; D709-V732 WeakPolarHBondContact OD1-CA 3.33Å; D709-V732 WeakPolarHBondContact OD1-CG2 3.16Å; L723-V732 HydrophobicContact CD2-CG2 3.96Å; L726-V732 HydrophobicContact CD1-CB 3.67Å; L726-V732 HydrophobicContact CD1-CG1 3.91Å; L726-V732 HydrophobicContact CD1-CG2 4Å; L726-V732 HydrophobicContact CD2-CB 4.37Å; V732-L734 HydrophobicContact CG1-CD2 4.47Å; V732-L734 HydrophobicContact CG2-CD2 3.95Å
733D96.3Very high84.7Confident35 Ų3563.4 Ų63.419%0.18735%0.354CS..EExtended strand (participates in β ladder)trans-98.8127171.6-171.935.3000110.9H651 Q653 I708 D709H651-D733 IonicContact CE1-OD2 3.6Å; H651-D733 IonicContact CG-OD2 3.78Å; H651-D733 IonicContact ND1-OD1 3.72Å; H651-D733 IonicContact ND1-OD2 2.74Å; H651-D733 PolarHBondContact ND1-OD2 3.42Å; Q653-D733 HydrophobicContact CG-CB 4.05Å; Q653-D733 WeakPolarHBondContact CG-OD1 3.42Å; I708-D733 CarbonylContact C-O 3.6Å; I708-D733 WeakPolarHBondContact CA-O 3.22Å; D709-D733 PolarHBondContact N-O 2.94Å; D709-D733 PolarHBondContact OD1-N 3.25Å
734L96.7Very high82.1Confident0 Ų068.1 Ų68.10%038%0.379CS..EExtended strand (participates in β ladder)trans-112110.4-179.2-56178.1000109.6H651 I652 L654 F664 L699 I708 L723 V732 I736H651-L734 WeakPolarHBondContact CA-O 3.47Å; I652-L734 PolarHBondContact N-O 2.91Å; I652-L734 WeakPolarHBondContact O-CB 3.41Å; I652-L734 PolarHBondContact O-N 3.26Å; L654-L734 HydrophobicContact CD1-CD1 3.82Å; L654-L734 HydrophobicContact CG-CD1 4.41Å; F664-L734 HydrophobicContact CE1-CD1 3.86Å; F664-L734 HydrophobicContact CZ-CD1 3.77Å; L699-L734 HydrophobicContact CD2-CD1 4.42Å; I708-L734 HydrophobicContact CB-CD2 4.46Å; I708-L734 HydrophobicContact CG1-CD2 4.05Å; I708-L734 HydrophobicContact CG2-CD2 4.07Å; L723-L734 HydrophobicContact CD2-CD2 4.12Å; V732-L734 HydrophobicContact CG1-CD2 4.47Å; V732-L734 HydrophobicContact CG2-CD2 3.95Å; L734-I736 HydrophobicContact CB-CG2 4.06Å; L734-I736 PolarHBondContact O-N 3.43Å
735L96Very high79.3Confident42 Ų4267.2 Ų67.222%0.2239%0.387CS..EExtended strand (participates in β ladder)trans-81112.8166178.664.3000108.2L706 A707L706-L735 HydrophobicContact CB-CD2 4.11Å; L706-L735 HydrophobicContact CB-CG 4.06Å; L706-L735 WeakPolarHBondContact CB-O 3.46Å; L706-L735 HydrophobicContact CD1-CD2 4.37Å; L706-L735 HydrophobicContact CD1-CG 4.33Å; L706-L735 PolarHBondContact N-O 2.9Å; A707-L735 HydrophobicContact CB-CB 3.97Å; A707-L735 HydrophobicContact CB-CD2 4.14Å; A707-L735 PolarHBondContact N-O 2.9Å; A707-L735 PolarHBondContact O-N 3.17Å
736I94.7Very high76.4Confident0 Ų068.2 Ų68.20%039%0.394CS..EExtended strand (participates in β ladder)trans-114.8160178.78076.1000111T649 M650 I652 L699 D703 R704 L705 L734 R738T649-I736 CarbonylContact C-O 3.58Å; T649-I736 VanDerWaalsContact CA-O 3.26Å; T649-I736 WeakPolarHBondContact CA-O 3.29Å; M650-I736 HydrophobicContact CE-CD1 4.07Å; M650-I736 HydrophobicContact CG-CD1 3.52Å; M650-I736 HydrophobicContact CG-CG1 3.62Å; M650-I736 PolarHBondContact N-O 2.91Å; M650-I736 PolarHBondContact O-N 2.85Å; M650-I736 HydrophobicContact SD-CD1 3.83Å; M650-I736 HydrophobicContact SD-CG1 4.33Å; I652-I736 HydrophobicContact CD1-CG1 3.84Å; I652-I736 HydrophobicContact CG1-CG1 4.5Å; L699-I736 HydrophobicContact CD1-CG2 3.91Å; D703-I736 HydrophobicContact CB-CB 4.35Å; D703-I736 HydrophobicContact CB-CD1 3.96Å; D703-I736 HydrophobicContact CB-CG1 4.29Å; R704-I736 CarbonylContact O-C 3.59Å; R704-I736 VanDerWaalsContact O-CA 3.25Å; R704-I736 WeakPolarHBondContact O-CA 3.49Å; L705-I736 HydrophobicContact CD1-CG2 3.78Å; L734-I736 HydrophobicContact CB-CG2 4.06Å; L734-I736 PolarHBondContact O-N 3.43Å; I736-R738 HydrophobicContact CD1-CB 4.13Å
737S92.9Very high73.3Confident5 Ų575.1 Ų75.14%0.03543%0.431CS..EExtended strand (participates in β ladder)trans-124.9129.4171.5-176.30000111.2I646 G647 Q648 R704I646-S737 WeakPolarHBondContact CG2-OG 3.23Å; G647-S737 WeakPolarHBondContact CA-OG 3.13Å; G647-S737 PolarHBondContact N-OG 3.48Å; G647-S737 PolarHBondContact O-OG 3.5Å; G647-S737 VanDerWaalsContact O-OG 3.12Å; Q648-S737 CarbonylContact O-C 3.47Å; Q648-S737 WeakPolarHBondContact O-CA 3.31Å; R704-S737 PolarHBondContact N-O 3.44Å; R704-S737 PolarHBondContact O-N 3.11Å
738R90.2Very high70.7Confident53 Ų5378 Ų7820%0.245%0.449CS..EExtended strand (participates in β ladder)trans-115.2122.3-178.8-171170.9-66.2159.33.8109.9G647 Q648 M650 R698 D703 I736 I740G647-R738 CarbonylContact C-O 3.58Å; G647-R738 WeakPolarHBondContact CA-O 3.41Å; Q648-R738 PolarHBondContact N-O 3.31Å; Q648-R738 PolarHBondContact O-N 3.07Å; M650-R738 HydrophobicContact CE-CB 3.93Å; R698-R738 PolarHBondContact O-NH2 2.98Å; D703-R738 IonicContact OD1-CZ 3.79Å; D703-R738 IonicContact OD1-NE 2.69Å; D703-R738 PolarHBondContact OD1-NE 2.81Å; D703-R738 IonicContact OD1-NH2 2.65Å; D703-R738 PolarHBondContact OD1-NH2 3.2Å; D703-R738 IonicContact OD2-CZ 2.66Å; D703-R738 IonicContact OD2-NE 3.97Å; D703-R738 IonicContact OD2-NH2 2.73Å; D703-R738 PolarHBondContact OD2-NH2 3.25Å; I736-R738 HydrophobicContact CD1-CB 4.13Å; R738-I740 PolarHBondContact O-N 2.88Å; R738-I740 VanDerWaalsContact O-N 3.07Å
739Q78.7Confident67.7Low64 Ų6485.8 Ų85.830%0.29947%0.468SS..  trans-74.195.8171.2-71.5-106.1-29.600108.6F641 N642 T645 S741F641-Q739 HydrophobicContact CD1-CB 3.86Å; F641-Q739 HydrophobicContact CE1-CB 4.4Å; N642-Q739 PolarHBondContact O-NE2 2.68Å; T645-Q739 PolarHBondContact O-NE2 3.01Å; T645-Q739 PolarHBondContact OG1-NE2 2.93Å; Q739-S741 PolarHBondContact O-N 2.95Å
740I67.7Low64.8Low109 Ų10993.4 Ų93.456%0.55949%0.485SS*.  trans-66.3123.4165.3-52.4176.7000106.8Q648 R738 S742Q648-I740 HydrophobicContact CB-CD1 3.84Å; Q648-I740 HydrophobicContact CB-CG1 4.12Å; Q648-I740 HydrophobicContact CG-CD1 4.41Å; R738-I740 PolarHBondContact O-N 2.88Å; R738-I740 VanDerWaalsContact O-N 3.07Å; I740-S742 PolarHBondContact O-N 2.8Å
741S53.4Low61.7Low72 Ų7295 Ų9550%0.50351%0.506SS..  trans-69.898.2172500000109.4Q739 D743Q739-S741 PolarHBondContact O-N 2.95Å; S741-D743 PolarHBondContact O-N 2.93Å
742S42.1Very low58.6Low104 Ų10495.4 Ų95.473%0.72752%0.52SS*.  trans-75.464.6174.9620000111I740 L744I740-S742 PolarHBondContact O-N 2.8Å; S742-L744 PolarHBondContact O-N 3.49Å; S742-L744 VanDerWaalsContact O-N 3.08Å
743D41.3Very low55.5Low145 Ų145103.6 Ų103.678%0.77556%0.557SS**  trans-7725.1169.9-66.6-51.1000111.9S741S741-D743 PolarHBondContact O-N 2.93Å
744L39.1Very low52.2Low115 Ų115111.2 Ų111.260%0.60259%0.589SS**SBendtrans-136.7147175-70.5173.7000109.2S742S742-L744 PolarHBondContact O-N 3.49Å; S742-L744 VanDerWaalsContact O-N 3.08Å
745D34.1Very low48.8Very low158 Ų158119.9 Ų119.985%0.84563%0.629SS**  trans80.974.3168.5-58.8-11.1000119.4
746S30.6Very low45.6Very low115 Ų115123.4 Ų123.480%0.80465%0.647SS**SBendtrans-152.435.8142.355.70000116.8
747N27.3Very low42.6Very low160 Ų160126.3 Ų126.386%0.85667%0.666SS**SBendtrans-164.569.1158.4-108.8-25.3000117.3
748T37.8Very low39.8Very low151 Ų151131 Ų13193%0.92670%0.697SS**  trans-157166.8136.78.70000110.1
749R30.3Very low37.3Very low241 Ų241133.6 Ų133.691%0.90971%0.707SS**  trans-108.8162.2-166.3-63.6179.2-176.5166.92.8113.1S751R749-S751 PolarHBondContact O-N 3.33Å
750K29.8Very low36.4Very low217 Ų217131.8 Ų131.894%0.94370%0.7SS**  trans-49.9113.3174-58.6178.4178.7-173.50112.3
751S28.3Very low36.4Very low111 Ų111128.1 Ų128.178%0.77668%0.68SS**  trans-154155.3154.357.10000110.2R749R749-S751 PolarHBondContact O-N 3.33Å
752S28.2Very low37.6Very low106 Ų106129.6 Ų129.674%0.74168%0.681SS**SBendtrans-66.2150.3177.635.40000112.7
753H29.9Very low39.6Very low172 Ų172127.5 Ų127.580%0.79666%0.664SS**SBendtrans64.7142.6175.9-72.1-66.4000118.7
754K26.6Very low41.6Very low195 Ų195121.9 Ų121.985%0.84864%0.636SS**  trans61.460.6156.3-62171.3-176.91790118.3
755H26.5Very low43.9Very low183 Ų183120 Ų12085%0.84763%0.629SS**  -159.9115.6123.9-123-75.6000112.6
756L29Very low46.5Very low115 Ų115114.1 Ų114.160%0.60260%0.596SS**  trans-83.4155.1149.4-74.2167000107.5
757P30Very low49.2Very low61 Ų61114.2 Ų114.240%0.39658%0.583SS.*  trans-56.6152.4159.128-34.5000108.9R759P757-R759 VanDerWaalsContact C-N 3.3Å; P757-R759 PolarHBondContact O-N 3.12Å
758P34.1Very low51.9Low105 Ų105107.3 Ų107.368%0.68255%0.546SS*.  trans-64.892.9177.128-34.1000109P760P758-P760 WeakPolarHBondContact O-CD 3.34Å; P758-P760 VanDerWaalsContact O-N 3.07Å
759R38.3Very low53.9Low106 Ų106105.8 Ų105.840%0.453%0.528SS..  trans-51.1119.2179-71.2178.9170-151.81.1107.7P757 F761 T763P757-R759 VanDerWaalsContact C-N 3.3Å; P757-R759 PolarHBondContact O-N 3.12Å; R759-F761 HydrophobicContact CB-CD2 3.88Å; R759-F761 HydrophobicContact CB-CE2 3.78Å; R759-F761 HydrophobicContact CB-CG 4.44Å; R759-F761 HydrophobicContact CB-CZ 4.24Å; R759-F761 WeakPolarHBondContact CB-O 3.11Å; R759-F761 HydrophobicContact CG-CD2 4.26Å; R759-F761 HydrophobicContact CG-CE2 3.68Å; R759-F761 HydrophobicContact CG-CZ 4.12Å; R759-F761 PolarHBondContact O-N 2.85Å; R759-F761 VanDerWaalsContact O-N 3.15Å; R759-T763 PolarHBondContact NH1-OG1 2.83Å
760P60.2Low56.2Low26 Ų2694.3 Ų94.317%0.16949%0.485CS..SBendtrans-67.7-12.2177.530.3-37000111.1P758 Y824 Y904 K905P758-P760 WeakPolarHBondContact O-CD 3.34Å; P758-P760 VanDerWaalsContact O-N 3.07Å; P760-Y824 HydrophobicContact CB-CD2 3.88Å; P760-Y824 HydrophobicContact CB-CE2 4.06Å; P760-Y824 HydrophobicContact CG-CD1 4.31Å; P760-Y824 HydrophobicContact CG-CD2 3.59Å; P760-Y824 HydrophobicContact CG-CE2 3.81Å; P760-Y824 HydrophobicContact CG-CG 3.86Å; P760-Y904 HydrophobicContact CB-CD1 4.48Å; P760-Y904 HydrophobicContact CG-CE1 4.47Å; P760-Y904 WeakPolarHBondContact O-CA 3.14Å; P760-K905 PolarHBondContact O-N 3.06Å
761F67.9Low57.9Low32 Ų3287.3 Ų87.314%0.1446%0.461CS..EExtended strand (participates in β ladder)trans-105.3143.4170.142.9-94.7000111.9R759 H902 R903R759-F761 HydrophobicContact CB-CD2 3.88Å; R759-F761 HydrophobicContact CB-CE2 3.78Å; R759-F761 HydrophobicContact CB-CG 4.44Å; R759-F761 HydrophobicContact CB-CZ 4.24Å; R759-F761 WeakPolarHBondContact CB-O 3.11Å; R759-F761 HydrophobicContact CG-CD2 4.26Å; R759-F761 HydrophobicContact CG-CE2 3.68Å; R759-F761 HydrophobicContact CG-CZ 4.12Å; R759-F761 PolarHBondContact O-N 2.85Å; R759-F761 VanDerWaalsContact O-N 3.15Å; F761-H902 HydrophobicContact CB-CB 3.84Å; F761-H902 HydrophobicContact CD2-CB 4.24Å; F761-H902 AromaticContact CD2-CE1 3.5Å; F761-H902 AromaticContact CD2-CG 3.62Å; F761-H902 AromaticContact CD2-ND1 3.15Å; F761-H902 WeakPolarHBondContact CD2-ND1 3.16Å; F761-H902 AromaticContact CE2-CE1 3.28Å; F761-H902 WeakPolarHBondContact CE2-CE1 3.5Å; F761-H902 AromaticContact CE2-ND1 3.29Å; F761-H902 VanDerWaalsContact CE2-ND1 3.29Å; F761-H902 WeakPolarHBondContact CE2-ND1 3.15Å; F761-H902 HydrophobicContact CG-CB 4.07Å; F761-H902 AromaticContact CG-CG 3.93Å; F761-H902 AromaticContact CG-ND1 3.58Å; F761-H902 AromaticContact CZ-ND1 3.86Å; F761-R903 CarbonylContact C-O 3.57Å; F761-R903 WeakPolarHBondContact CA-O 3.43Å
762M78.5Confident59.3Low104 Ų10485 Ų8551%0.51244%0.44SS..EExtended strand (participates in β ladder)trans-84.8130.9155.8-65.7-174.36500108.5H902 R903 K905M762-H902 WeakPolarHBondContact O-CA 3.26Å; M762-R903 PolarHBondContact N-O 2.95Å; M762-R903 PolarHBondContact O-N 2.86Å; M762-K905 HydrophobicContact CG-CD 4.18Å; M762-K905 HydrophobicContact CG-CG 3.93Å; M762-K905 HydrophobicContact SD-CG 4.47Å
763T83.5Confident60.4Low59 Ų5985.5 Ų85.536%0.36243%0.434SS..EExtended strand (participates in β ladder)trans-82.9126167.1-52.80000107.5R759 T900 V901 H902R759-T763 PolarHBondContact NH1-OG1 2.83Å; T763-T900 HydrophobicContact CG2-CG2 3.61Å; T763-V901 CarbonylContact C-O 3.44Å; T763-V901 WeakPolarHBondContact CA-O 3.34Å; T763-H902 PolarHBondContact OG1-CD2 3.23Å; T763-H902 VanDerWaalsContact OG1-CD2 3.24Å; T763-H902 PolarHBondContact OG1-NE2 3.2Å
764C84.5Confident60.8Low28 Ų2882.7 Ų82.719%0.18943%0.429CS..EExtended strand (participates in β ladder)trans-130.2129.7178.5-60.60000109.2F766 T900 V901C764-F766 HydrophobicContact CB-CD2 4.48Å; C764-F766 HydrophobicContact CB-CE1 4.25Å; C764-F766 HydrophobicContact CB-CE2 3.62Å; C764-F766 HydrophobicContact CB-CZ 3.47Å; C764-F766 VanDerWaalsContact CB-CZ 3.47Å; C764-T900 CarbonylContact O-C 3.56Å; C764-T900 WeakPolarHBondContact O-CA 3.39Å; C764-V901 HydrophobicContact CB-CG2 4.26Å; C764-V901 PolarHBondContact N-O 2.88Å; C764-V901 PolarHBondContact O-N 2.88Å
765T87.6Confident61.4Low74 Ų7479.7 Ų79.745%0.45443%0.428SS..EExtended strand (participates in β ladder)trans-106.9132.7173.4-55.70000108.6T898 L899 T900T765-T898 HydrophobicContact CG2-CG2 4.39Å; T765-L899 WeakPolarHBondContact CA-O 3.49Å; T765-T900 VanDerWaalsContact CG2-OG1 3.31Å; T765-T900 WeakPolarHBondContact CG2-OG1 3.43Å; T765-T900 WeakPolarHBondContact OG1-CG2 3.43Å; T765-T900 PolarHBondContact OG1-OG1 2.89Å
766F87.8Confident61.7Low35 Ų3577.3 Ų77.315%0.15443%0.426CS..EExtended strand (participates in β ladder)trans-125.3127.3-179.1-57.4-68.1000109.4C764 Y768 T848 V849 T898 L899 V901C764-F766 HydrophobicContact CB-CD2 4.48Å; C764-F766 HydrophobicContact CB-CE1 4.25Å; C764-F766 HydrophobicContact CB-CE2 3.62Å; C764-F766 HydrophobicContact CB-CZ 3.47Å; C764-F766 VanDerWaalsContact CB-CZ 3.47Å; F766-Y768 HydrophobicContact CB-CE2 3.68Å; F766-Y768 WeakPolarHBondContact O-CE2 3.42Å; F766-T848 HydrophobicContact CB-CG2 4.41Å; F766-T848 HydrophobicContact CD1-CG2 3.75Å; F766-T848 HydrophobicContact CE1-CG2 4.31Å; F766-T848 WeakPolarHBondContact CE2-O 3.31Å; F766-T848 HydrophobicContact CG-CG2 4.24Å; F766-T848 WeakPolarHBondContact CZ-O 3.28Å; F766-V849 HydrophobicContact CD2-CG1 3.55Å; F766-V849 HydrophobicContact CE2-CG1 3.75Å; F766-T898 CarbonylContact O-C 3.58Å; F766-T898 VanDerWaalsContact O-CA 3.31Å; F766-T898 WeakPolarHBondContact O-CA 3.36Å; F766-L899 PolarHBondContact N-O 2.86Å; F766-L899 PolarHBondContact O-N 3.23Å; F766-V901 HydrophobicContact CD2-CG2 4.21Å; F766-V901 HydrophobicContact CE2-CG2 3.69Å
767E86.7Confident61.8Low117 Ų11778.5 Ų78.555%0.54743%0.433SS..EExtended strand (participates in β ladder)trans-92.8135.9173.8-173.5179.9176.600109.9S896 F897 T898E767-S896 WeakPolarHBondContact OE1-CB 3.32Å; E767-S896 PolarHBondContact OE1-OG 2.68Å; E767-F897 WeakPolarHBondContact CA-O 3.48Å; E767-T898 HydrophobicContact CB-CG2 4.29Å; E767-T898 HydrophobicContact CG-CG2 4.39Å
768Y84.3Confident61.8Low16 Ų1682.4 Ų82.46%0.06345%0.45CS..EExtended strand (participates in β ladder)trans-123.5123.3176.8-58.3-86.7000109.2F766 V841 T848 S896 F897 L899F766-Y768 HydrophobicContact CB-CE2 3.68Å; F766-Y768 WeakPolarHBondContact O-CE2 3.42Å; Y768-V841 HydrophobicContact CD1-CG2 4.07Å; Y768-V841 HydrophobicContact CE1-CB 4.31Å; Y768-V841 HydrophobicContact CE1-CG1 4.35Å; Y768-V841 HydrophobicContact CE1-CG2 3.67Å; Y768-T848 WeakPolarHBondContact CE1-OG1 3.5Å; Y768-T848 PolarHBondContact OH-OG1 2.86Å; Y768-S896 CarbonylContact O-C 3.52Å; Y768-S896 WeakPolarHBondContact O-CA 3.24Å; Y768-S896 WeakPolarHBondContact O-CB 3.46Å; Y768-F897 HydrophobicContact CD2-CD2 4.37Å; Y768-F897 AromaticContact CD2-CE2 3.76Å; Y768-F897 HydrophobicContact CD2-CE2 3.76Å; Y768-F897 HydrophobicContact CD2-CZ 4.07Å; Y768-F897 HydrophobicContact CG-CE2 4.17Å; Y768-F897 AromaticContact CG-CZ 4Å; Y768-F897 HydrophobicContact CG-CZ 4Å; Y768-F897 PolarHBondContact N-O 3Å; Y768-F897 PolarHBondContact O-N 3.38Å; Y768-L899 HydrophobicContact CD2-CD1 4.26Å; Y768-L899 HydrophobicContact CD2-CG 4.22Å; Y768-L899 HydrophobicContact CE2-CB 4.06Å; Y768-L899 HydrophobicContact CE2-CD1 3.75Å; Y768-L899 HydrophobicContact CE2-CG 3.89Å
769Q81Confident61.8Low118 Ų11884 Ų8455%0.55145%0.449SS*.EExtended strand (participates in β ladder)trans-90.7130.7171.2-76.9171.75.700109.3P894Q769-P894 HydrophobicContact CB-CB 4.06Å; Q769-P894 HydrophobicContact CB-CG 4.14Å; Q769-P894 HydrophobicContact CG-CB 4.32Å; Q769-P894 HydrophobicContact CG-CG 4.08Å
770L77.2Confident61.3Low1 Ų182.3 Ų82.31%0.00545%0.453CS..PPolyproline II helixtrans-81.5132.4172.9-72153.2000108.8P787 L840 C882 N886 P894 A895 F897L770-P787 HydrophobicContact CD2-CG 3.62Å; L770-L840 HydrophobicContact CD2-CD1 3.58Å; L770-C882 HydrophobicContact CD1-CB 3.33Å; L770-N886 PolarHBondContact O-ND2 3.49Å; L770-P894 VanDerWaalsContact O-CB 3.31Å; L770-P894 WeakPolarHBondContact O-CB 3.45Å; L770-A895 PolarHBondContact N-O 2.92Å; L770-F897 HydrophobicContact CD1-CD1 4.06Å; L770-F897 HydrophobicContact CD1-CE1 4.09Å; L770-F897 HydrophobicContact CD2-CE1 4.31Å; L770-F897 HydrophobicContact CG-CD1 4.37Å; L770-F897 HydrophobicContact CG-CE1 4.02Å
771P65.5Low59.8Low69 Ų6987.2 Ų87.245%0.44848%0.478SS..PPolyproline II helixtrans-53.2145.5175.3-27.635000112.4L840 N886P771-L840 VanDerWaalsContact CD-CD2 3.45Å; P771-L840 HydrophobicContact CG-CD2 3.98Å; P771-N886 PolarHBondContact O-ND2 2.89Å
772L57.8Low58.3Low63 Ų6390.5 Ų90.533%0.3350%0.501SS..PPolyproline II helixtrans-81.8137.9162-81.169.2000108.1T774 P894L772-T774 HydrophobicContact CB-CG2 3.9Å; L772-T774 HydrophobicContact CD2-CG2 4.07Å; L772-T774 PolarHBondContact O-N 3.42Å; L772-P894 HydrophobicContact CD1-CB 3.5Å; L772-P894 HydrophobicContact CD1-CG 4.24Å
773D51.5Low56.3Low117 Ų11793.5 Ų93.563%0.62652%0.517SS*.  trans-78.349.3172.4-66.3-63.8000111.3T775 H883D773-T775 PolarHBondContact O-N 2.87Å; D773-H883 IonicContact OD2-CE1 2.71Å
774T39Very low54.3Low112 Ų11299 Ų9969%0.68754%0.536SS*.  trans-90.975.8-179.447.90000111.9L772L772-T774 HydrophobicContact CB-CG2 3.9Å; L772-T774 HydrophobicContact CD2-CG2 4.07Å; L772-T774 PolarHBondContact O-N 3.42Å
775T39.5Very low52.5Low133 Ų133100.1 Ų100.182%0.81655%0.553SS**  trans-134.3101.4159.151.30000110.1D773D773-T775 PolarHBondContact O-N 2.87Å
776T32Very low50.9Low132 Ų132100 Ų10081%0.8155%0.554SS**  trans-71.2148.8160.938.50000110.2
777N30.3Very low49.5Very low140 Ų140100.1 Ų100.175%0.74956%0.557SS**SBendtrans68.5118168.8-60.8-5.6000118.8
778N30.2Very low48.4Very low143 Ų143100.9 Ų100.977%0.76557%0.565SS**  trans75.169.6141.4-54-11.2000119.5
779Q34Very low47.9Very low139 Ų139100.9 Ų100.965%0.6557%0.566SS**  -178.1145.598.7-94.8171.30.100114.1N22N22-Q779 PolarHBondContact ND2-OE1 2.87Å
780S29.4Very low47.7Very low70 Ų7095.9 Ų95.949%0.4955%0.545SS..  trans-8.5133.5169.853.30000121.7
781D28.4Very low48.1Very low129 Ų12996.6 Ų96.669%0.6955%0.549SS*.  trans68.987.8137.3-53.1-22.1000120.9
782T35.3Very low48.9Very low101 Ų10196.8 Ų96.862%0.6255%0.547SS*.  -178.1140.6105-700000109.5K784T782-K784 PolarHBondContact O-N 2.62Å
783I36.3Very low50.4Low168 Ų16896.2 Ų96.286%0.86254%0.541SS*.  trans-62.8105.8178-57170.5000109.8
784K43.1Very low52Low173 Ų17395 Ų9575%0.75253%0.531SS*.  trans-78.6123.4175.8-69.3178.1-176.7170.20109.9T782T782-K784 PolarHBondContact O-N 2.62Å
785G44.8Very low54.2Low53 Ų5392.5 Ų92.555%0.54651%0.509SS..  trans-72.3176167.400000112.3
786P54.1Low55.8Low72 Ų7287.2 Ų87.247%0.46848%0.477SS..SBendtrans-55.4137.8-179.122.7-34.1000111.5
787P58.5Low57.5Low36 Ų3682.7 Ų82.723%0.23445%0.448CS..PPolyproline II helixtrans-64.5138.9-167.925.8-36.1000112.6L770 L789 L840L770-P787 HydrophobicContact CD2-CG 3.62Å; P787-L789 PolarHBondContact O-N 2.83Å; P787-L840 HydrophobicContact CB-CD1 4.1Å; P787-L840 HydrophobicContact CB-CD2 4.25Å; P787-L840 HydrophobicContact CB-CG 4.34Å; P787-L840 HydrophobicContact CG-CD1 4.23Å
788L64.4Low58.4Low134 Ų13481.6 Ų81.670%0.70244%0.442SS*.PPolyproline II helixtrans-75.3125.8-171.8-63.1175.1000111.8G790 L840L788-G790 VanDerWaalsContact C-N 3.28Å; L788-G790 PolarHBondContact O-N 3.16Å; L788-L840 WeakPolarHBondContact O-CG 3.42Å; L788-L840 PolarHBondContact O-N 2.78Å
789L73.9Confident59.3Low16 Ų1675.6 Ų75.68%0.08441%0.41CS..  trans-62.4-34.3174.6-171.772.6000112.7P787 I791 F793 V841 L875 I879 F897P787-L789 PolarHBondContact O-N 2.83Å; L789-I791 VanDerWaalsContact C-N 3.3Å; L789-I791 HydrophobicContact CD2-CB 4.25Å; L789-I791 HydrophobicContact CD2-CD1 3.93Å; L789-I791 HydrophobicContact CD2-CG1 4.16Å; L789-I791 HydrophobicContact CG-CB 4.49Å; L789-I791 HydrophobicContact CG-CD1 4.09Å; L789-I791 HydrophobicContact CG-CG1 4.06Å; L789-I791 PolarHBondContact O-N 2.82Å; L789-F793 HydrophobicContact CD2-CE2 4.47Å; L789-V841 HydrophobicContact CD1-CG2 3.84Å; L789-V841 HydrophobicContact CG-CG2 4.11Å; L789-V841 WeakPolarHBondContact O-CB 3.36Å; L789-V841 WeakPolarHBondContact O-CG2 3.19Å; L789-L875 HydrophobicContact CD2-CD1 4.31Å; L789-L875 HydrophobicContact CD2-CD2 3.9Å; L789-L875 HydrophobicContact CD2-CG 4.37Å; L789-I879 HydrophobicContact CB-CD1 4.18Å; L789-I879 HydrophobicContact CD2-CD1 4.17Å; L789-F897 HydrophobicContact CD1-CE2 3.95Å; L789-F897 HydrophobicContact CD1-CZ 3.51Å
790G77.3Confident60Low12 Ų1276 Ų7612%0.12442%0.416CS..  trans67.919.9177.600000116.3L788 V836 T839L788-G790 VanDerWaalsContact C-N 3.28Å; L788-G790 PolarHBondContact O-N 3.16Å; G790-V836 PolarHBondContact O-N 3.4Å; G790-T839 WeakPolarHBondContact CA-OG1 3.3Å
791I84.1Confident60.7Low16 Ų1679 Ų798%0.08243%0.425CS..EExtended strand (participates in β ladder)trans-98.6119.2170.4-57.2177.1000109.2L789 F793 I832 L835 V841 V849 L899L789-I791 VanDerWaalsContact C-N 3.3Å; L789-I791 HydrophobicContact CD2-CB 4.25Å; L789-I791 HydrophobicContact CD2-CD1 3.93Å; L789-I791 HydrophobicContact CD2-CG1 4.16Å; L789-I791 HydrophobicContact CG-CB 4.49Å; L789-I791 HydrophobicContact CG-CD1 4.09Å; L789-I791 HydrophobicContact CG-CG1 4.06Å; L789-I791 PolarHBondContact O-N 2.82Å; I791-F793 HydrophobicContact CB-CD2 4.31Å; I791-F793 HydrophobicContact CB-CE2 3.76Å; I791-F793 HydrophobicContact CB-CZ 4.03Å; I791-F793 HydrophobicContact CD1-CZ 4.16Å; I791-F793 HydrophobicContact CG2-CD1 4.08Å; I791-F793 HydrophobicContact CG2-CD2 3.83Å; I791-F793 HydrophobicContact CG2-CE1 3.76Å; I791-F793 HydrophobicContact CG2-CE2 3.49Å; I791-F793 VanDerWaalsContact CG2-CE2 3.49Å; I791-F793 HydrophobicContact CG2-CG 4.12Å; I791-F793 HydrophobicContact CG2-CZ 3.47Å; I791-F793 VanDerWaalsContact CG2-CZ 3.47Å; I791-I832 HydrophobicContact CD1-CD1 4.32Å; I791-I832 HydrophobicContact CG2-CB 4.24Å; I791-I832 HydrophobicContact CG2-CD1 3.85Å; I791-I832 HydrophobicContact CG2-CG1 3.64Å; I791-I832 HydrophobicContact CG2-CG2 3.85Å; I791-L835 HydrophobicContact CB-CD2 4.45Å; I791-L835 HydrophobicContact CG1-CD2 3.94Å; I791-L835 HydrophobicContact CG2-CD2 4.37Å; I791-V841 HydrophobicContact CD1-CG1 4.26Å; I791-V841 HydrophobicContact CD1-CG2 3.92Å; I791-V841 HydrophobicContact CG1-CB 4.27Å; I791-V841 HydrophobicContact CG1-CG1 4.06Å; I791-V841 HydrophobicContact CG1-CG2 3.89Å; I791-V849 HydrophobicContact CD1-CG2 4.02Å; I791-L899 HydrophobicContact CD1-CD1 3.98Å
792N84Confident61.4Low74 Ų7474 Ų7440%0.39640%0.401SS..EExtended strand (participates in β ladder)trans-88.5115.3167.7-72-23.7000109.1D833 S834N792-D833 PolarHBondContact O-N 3.43Å; N792-S834 WeakPolarHBondContact CB-OG 3.44Å; N792-S834 PolarHBondContact N-O 2.79Å; N792-S834 PolarHBondContact ND2-OG 3.25Å; N792-S834 PolarHBondContact O-N 3.24Å
793F87.5Confident61.7Low50 Ų5072.1 Ų72.122%0.21939%0.387CS..EExtended strand (participates in β ladder)trans-97.8152.2177.1-64.5-86.8000112.4L789 I791 L830 Y831 I832 L855 L875L789-F793 HydrophobicContact CD2-CE2 4.47Å; I791-F793 HydrophobicContact CB-CD2 4.31Å; I791-F793 HydrophobicContact CB-CE2 3.76Å; I791-F793 HydrophobicContact CB-CZ 4.03Å; I791-F793 HydrophobicContact CD1-CZ 4.16Å; I791-F793 HydrophobicContact CG2-CD1 4.08Å; I791-F793 HydrophobicContact CG2-CD2 3.83Å; I791-F793 HydrophobicContact CG2-CE1 3.76Å; I791-F793 HydrophobicContact CG2-CE2 3.49Å; I791-F793 VanDerWaalsContact CG2-CE2 3.49Å; I791-F793 HydrophobicContact CG2-CG 4.12Å; I791-F793 HydrophobicContact CG2-CZ 3.47Å; I791-F793 VanDerWaalsContact CG2-CZ 3.47Å; F793-L830 HydrophobicContact CB-CD2 4Å; F793-L830 HydrophobicContact CD1-CB 4.26Å; F793-Y831 CarbonylContact C-O 3.55Å; F793-Y831 VanDerWaalsContact CA-O 3.28Å; F793-Y831 WeakPolarHBondContact CA-O 3.08Å; F793-I832 HydrophobicContact CD1-CG1 4.02Å; F793-I832 HydrophobicContact CE1-CD1 4.41Å; F793-I832 HydrophobicContact CE1-CG1 3.78Å; F793-L855 HydrophobicContact CE1-CB 4.18Å; F793-L855 HydrophobicContact CE1-CD2 4.03Å; F793-L855 HydrophobicContact CZ-CD2 4.21Å; F793-L875 HydrophobicContact CD2-CD2 4.43Å; F793-L875 HydrophobicContact CE2-CD2 3.53Å; F793-L875 HydrophobicContact CZ-CD2 4.01Å
794K86.4Confident62.2Low93 Ų9370.1 Ų70.140%0.40438%0.377SS..EExtended strand (participates in β ladder)trans-136.3129.8176.9178.1170.9-175.6169.70109.5Y831 D833K794-Y831 PolarHBondContact N-O 2.88Å; K794-Y831 PolarHBondContact O-N 2.88Å; K794-D833 HydrophobicContact CB-CB 3.82Å; K794-D833 HydrophobicContact CD-CB 3.91Å; K794-D833 WeakPolarHBondContact CD-OD1 3.44Å; K794-D833 VanDerWaalsContact CD-OD2 3.25Å; K794-D833 WeakPolarHBondContact CD-OD2 3.31Å; K794-D833 IonicContact NZ-OD1 3.54Å; K794-D833 PolarHBondContact NZ-OD1 3.48Å; K794-D833 IonicContact NZ-OD2 3.83Å; K794-D833 PolarHBondContact NZ-OD2 3.18Å
795W83.9Confident62.2Low58 Ų5866.6 Ų66.622%0.2237%0.374CS..EExtended strand (participates in β ladder)trans-71131.8169.8-170.1-88.8000109.2N797 P828 G829 L830 M866 A868 I871W795-N797 PolarHBondContact NE1-OD1 3.15Å; W795-P828 HydrophobicContact CZ2-CB 4.36Å; W795-G829 WeakPolarHBondContact CA-O 3.22Å; W795-L830 HydrophobicContact CB-CD2 4.49Å; W795-L830 HydrophobicContact CE3-CD2 4.07Å; W795-L830 HydrophobicContact CE3-CG 3.87Å; W795-L830 HydrophobicContact CZ3-CG 4.25Å; W795-M866 WeakPolarHBondContact CH2-O 3.14Å; W795-A868 HydrophobicContact CD2-CB 4.21Å; W795-A868 HydrophobicContact CE3-CB 3.54Å; W795-A868 HydrophobicContact CZ3-CB 4.05Å; W795-I871 HydrophobicContact CZ3-CD1 4.21Å
796S74.5Confident61.8Low22 Ų2268.1 Ų68.115%0.15438%0.377CS..EExtended strand (participates in β ladder)trans-136.3135.6171.4-170.80000111.9D798 P828 G829S796-D798 PolarHBondContact OG-N 2.92Å; S796-D798 VanDerWaalsContact OG-N 3.11Å; S796-D798 PolarHBondContact OG-O 2.86Å; S796-P828 WeakPolarHBondContact O-CA 3.26Å; S796-G829 PolarHBondContact N-O 3.32Å; S796-G829 PolarHBondContact O-N 3.14Å; S796-G829 VanDerWaalsContact O-N 3.12Å
797N66.5Low61Low37 Ų3769.1 Ų69.120%0.19839%0.385CS..SBendtrans-99.1-14.1167.4-67.6-10000111.6G697 L700 W795 P828G697-N797 PolarHBondContact O-ND2 2.8Å; G697-N797 PolarHBondContact O-OD1 3.46Å; L700-N797 HydrophobicContact CD2-CB 4.02Å; L700-N797 VanDerWaalsContact CD2-ND2 3.31Å; L700-N797 WeakPolarHBondContact CD2-ND2 3.28Å; W795-N797 PolarHBondContact NE1-OD1 3.15Å; N797-P828 WeakPolarHBondContact OD1-CB 3.48Å
798D50.8Low59.9Low117 Ų11772.4 Ų72.463%0.62641%0.409SS*.  trans-142.3107.3-173.1-74.4-66000111.5S796 L800S796-D798 PolarHBondContact OG-N 2.92Å; S796-D798 VanDerWaalsContact OG-N 3.11Å; S796-D798 PolarHBondContact OG-O 2.86Å; D798-L800 PolarHBondContact O-N 3.21Å
799I49Very low58.4Low17 Ų1772.6 Ų72.69%0.08742%0.418CS..G310 helixtrans-77.5-17.2-172.8-58.2165.5000113.4L801 S802 L803 P826 Y831 Y904I799-L801 PolarHBondContact O-N 3.48Å; I799-S802 PolarHBondContact O-N 2.92Å; I799-S802 PolarHBondContact O-OG 3.44Å; I799-L803 HydrophobicContact CG2-CD1 3.8Å; I799-L803 HydrophobicContact CG2-CG 4.1Å; I799-P826 HydrophobicContact CB-CB 4.14Å; I799-P826 HydrophobicContact CD1-CB 3.55Å; I799-P826 HydrophobicContact CG1-CB 3.57Å; I799-Y831 HydrophobicContact CD1-CE1 3.89Å; I799-Y831 WeakPolarHBondContact CD1-OH 3.43Å; I799-Y831 HydrophobicContact CG1-CE1 3.99Å; I799-Y831 HydrophobicContact CG1-CE2 4.47Å; I799-Y904 HydrophobicContact CD1-CE2 3.63Å; I799-Y904 WeakPolarHBondContact CD1-OH 3.41Å
800L47.8Very low56.4Low149 Ų14977 Ų7778%0.7845%0.45SS*.G310 helixtrans-63.9-4.3-172.6-76.6174.4000115.5D798D798-L800 PolarHBondContact O-N 3.21Å
801L44.4Very low54.3Low131 Ų13181 Ų8169%0.68648%0.477SS*.G310 helixtrans-110-27.8176-73.2167.6000114.3I799 S805I799-L801 PolarHBondContact O-N 3.48Å; L801-S805 WeakPolarHBondContact O-CB 3.42Å; L801-S805 PolarHBondContact O-OG 3.4Å
802S42.1Very low52Low26 Ų2686.9 Ų86.918%0.18252%0.516CS..THydrogen-bonded Turntrans-74.9-46.3-178.151.10000112.3I799 L804 S805I799-S802 PolarHBondContact O-N 2.92Å; I799-S802 PolarHBondContact O-OG 3.44Å; S802-L804 PolarHBondContact O-N 3.3Å; S802-S805 PolarHBondContact O-N 2.94Å; S802-S805 VanDerWaalsContact O-N 3.17Å
803L42.6Very low49.7Very low61 Ų6191.8 Ų91.832%0.31954%0.536SS..THydrogen-bonded Turntrans-68.6-13.3179.2-72.6175.2000114.5I799I799-L803 HydrophobicContact CG2-CD1 3.8Å; I799-L803 HydrophobicContact CG2-CG 4.1Å
804L47.6Very low46.9Very low126 Ų12694.4 Ų94.466%0.6656%0.561SS**THydrogen-bonded Turntrans-98-7.5176.3-87.668.8000113S802S802-L804 PolarHBondContact O-N 3.3Å
805S41.4Very low44.7Very low98 Ų9895.9 Ų95.969%0.68558%0.577SS**SBendtrans-103.7-6-173.2-60.30000114L801 S802L801-S805 WeakPolarHBondContact O-CB 3.42Å; L801-S805 PolarHBondContact O-OG 3.4Å; S802-S805 PolarHBondContact O-N 2.94Å; S802-S805 VanDerWaalsContact O-N 3.17Å
806S37.1Very low42.1Very low86 Ų8699.4 Ų99.460%0.60161%0.606SS**SBendtrans-96.52.5-176.554.30000115
807S37.7Very low40Very low92 Ų92101.4 Ų101.464%0.64363%0.629SS**SBendtrans-102.4110.2173.7580000111.5
808S33.9Very low38.5Very low106 Ų106106.2 Ų106.274%0.74166%0.662SS**  trans-57.1147.8170-60.50000111.6S810S808-S810 PolarHBondContact O-N 2.85Å
809P34.2Very low37.6Very low138 Ų138105 Ų10590%0.89666%0.66SS**  trans-7986.8-167.131.7-36.8000113.4
810S31Very low36.8Very low107 Ų107109.3 Ų109.375%0.74869%0.691SS**  trans-96141.5159.554.30000111.1S808S808-S810 PolarHBondContact O-N 2.85Å
811S33.4Very low36.4Very low98 Ų98108.2 Ų108.269%0.68569%0.693SS**  trans-37.3128.9-172.352.40000116.9Q813S811-Q813 PolarHBondContact O-N 2.87Å
812P35.6Very low36.1Very low138 Ų138106.1 Ų106.190%0.89669%0.689SS**  trans-78.589.9174.432.4-34.2000111.4
813Q35.7Very low36Very low178 Ų178114.2 Ų114.283%0.83272%0.724SS**  trans-92.5141.1165.5-87-170-14.600112.2S811 V815S811-Q813 PolarHBondContact O-N 2.87Å; Q813-V815 PolarHBondContact O-N 3.15Å
814S30.4Very low35.9Very low105 Ų105116.2 Ų116.273%0.73473%0.728SS**  trans-55.5121.1-173.6167.50000114.9
815V38.5Very low35.6Very low124 Ų124114.2 Ų114.275%0.75273%0.725SS**  trans-133116.2148.7-177.30000108.6Q813Q813-V815 PolarHBondContact O-N 3.15Å
816T30.6Very low36.3Very low132 Ų132111.6 Ų111.681%0.8171%0.706SS**  trans-94.3128.8-178.850.20000111.9
817G30.7Very low37.7Very low63 Ų63111 Ų11165%0.64970%0.695SS**  trans-164131.1169.700000110.8T819G817-T819 PolarHBondContact O-N 2.82Å
818P34.9Very low39.4Very low138 Ų138108.2 Ų108.290%0.89668%0.675SS**  trans-85.9114.6-176.932.2-32000111.4
819T31.1Very low41.9Very low93 Ų93103.4 Ų103.457%0.57164%0.642SS**  trans-129.2132.4161.7-35.90000110.1G817G817-T819 PolarHBondContact O-N 2.82Å
820S31.7Very low44.4Very low106 Ų10697.4 Ų97.474%0.74160%0.602SS**PPolyproline II helixtrans-67.4139.8-172.3280000112.6S822S820-S822 PolarHBondContact O-N 2.95Å
821P39.1Very low47.3Very low127 Ų12792.7 Ų92.783%0.82557%0.568SS**PPolyproline II helixtrans-62.9136.4170.627.4-33.5000109.7
822S38.9Very low50Low87 Ų8788.1 Ų88.161%0.60854%0.536SS*.PPolyproline II helixtrans-63.7139.6-165.353.60000114.3S820 Y824S820-S822 PolarHBondContact O-N 2.95Å; S822-Y824 PolarHBondContact O-N 3.14Å
823Q39.8Very low52.3Low195 Ų19585 Ų8591%0.91151%0.512SS*.SBendtrans-68.921175.7-63.3175.7-72.300114.8
824Y39.7Very low54.6Low103 Ų10378.7 Ų78.740%0.40449%0.487SS..  trans-119.2119.3-174.3-65.4-73.6000110.7P760 S822P760-Y824 HydrophobicContact CB-CD2 3.88Å; P760-Y824 HydrophobicContact CB-CE2 4.06Å; P760-Y824 HydrophobicContact CG-CD1 4.31Å; P760-Y824 HydrophobicContact CG-CD2 3.59Å; P760-Y824 HydrophobicContact CG-CE2 3.81Å; P760-Y824 HydrophobicContact CG-CG 3.86Å; S822-Y824 PolarHBondContact O-N 3.14Å
825S42.6Very low57.2Low85 Ų8575.6 Ų75.659%0.59446%0.462SS*.  trans-64.7143.9165.147.10000110.6
826P54.9Low59.2Low43 Ų4372.2 Ų72.228%0.27944%0.441SS..  trans-62.2143.9174.927.2-34.3000111.1I799I799-P826 HydrophobicContact CB-CB 4.14Å; I799-P826 HydrophobicContact CD1-CB 3.55Å; I799-P826 HydrophobicContact CG1-CB 3.57Å
827I67.9Low61Low74 Ų7470.3 Ų70.338%0.37943%0.432SS..  trans-101.9114.2-179.8-48.8177.7000108.6Y831 R854I827-Y831 PolarHBondContact O-OH 2.67Å; I827-R854 PolarHBondContact O-NE 2.97Å
828P73.7Confident62.8Low33 Ų3374.7 Ų74.721%0.21444%0.44CS..  trans-48.2138.6-178.5-31.436.1000114L700 W795 S796 N797 R854L700-P828 HydrophobicContact CD1-CG 4.01Å; L700-P828 HydrophobicContact CD2-CG 4.28Å; W795-P828 HydrophobicContact CZ2-CB 4.36Å; S796-P828 WeakPolarHBondContact O-CA 3.26Å; N797-P828 WeakPolarHBondContact OD1-CB 3.48Å; P828-R854 PolarHBondContact O-NH2 2.8Å
829G85Confident64.6Low5 Ų569 Ų695%0.05240%0.403CS..EExtended strand (participates in β ladder)trans167.7-170.4175.600000114.7W795 S796 Y831W795-G829 WeakPolarHBondContact CA-O 3.22Å; S796-G829 PolarHBondContact N-O 3.32Å; S796-G829 PolarHBondContact O-N 3.14Å; S796-G829 VanDerWaalsContact O-N 3.12Å; G829-Y831 WeakPolarHBondContact O-CD2 3.33Å
830L88.4Confident66.5Low11 Ų1166.1 Ų66.16%0.05838%0.384CS..EExtended strand (participates in β ladder)trans-84.4126.7172.3-73.6165.8000110.6F793 W795 R854 L855 I871 V872F793-L830 HydrophobicContact CB-CD2 4Å; F793-L830 HydrophobicContact CD1-CB 4.26Å; W795-L830 HydrophobicContact CB-CD2 4.49Å; W795-L830 HydrophobicContact CE3-CD2 4.07Å; W795-L830 HydrophobicContact CE3-CG 3.87Å; W795-L830 HydrophobicContact CZ3-CG 4.25Å; L830-R854 CarbonylContact O-C 3.54Å; L830-R854 WeakPolarHBondContact O-CA 3.26Å; L830-L855 HydrophobicContact CB-CB 4.47Å; L830-L855 PolarHBondContact O-N 3.2Å; L830-I871 HydrophobicContact CD1-CB 3.63Å; L830-I871 HydrophobicContact CD1-CD1 3.97Å; L830-I871 HydrophobicContact CD1-CG1 4.41Å; L830-I871 HydrophobicContact CD1-CG2 3.53Å; L830-V872 HydrophobicContact CD1-CG2 4.4Å
831Y90.8Very high68.4Low8 Ų861.2 Ų61.23%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-113.7151.1173.1-69.4-99.8000109.7F793 K794 I799 I827 G829 D833 D853 R854 Y904F793-Y831 CarbonylContact C-O 3.55Å; F793-Y831 VanDerWaalsContact CA-O 3.28Å; F793-Y831 WeakPolarHBondContact CA-O 3.08Å; K794-Y831 PolarHBondContact N-O 2.88Å; K794-Y831 PolarHBondContact O-N 2.88Å; I799-Y831 HydrophobicContact CD1-CE1 3.89Å; I799-Y831 WeakPolarHBondContact CD1-OH 3.43Å; I799-Y831 HydrophobicContact CG1-CE1 3.99Å; I799-Y831 HydrophobicContact CG1-CE2 4.47Å; I827-Y831 PolarHBondContact O-OH 2.67Å; G829-Y831 WeakPolarHBondContact O-CD2 3.33Å; Y831-D833 PolarHBondContact O-N 3.39Å; Y831-D853 CarbonylContact C-O 3.5Å; Y831-D853 WeakPolarHBondContact CA-O 3.46Å; Y831-R854 HydrophobicContact CD1-CB 3.88Å; Y831-R854 HydrophobicContact CD1-CG 4.39Å; Y831-R854 HydrophobicContact CE1-CB 3.56Å; Y831-R854 HydrophobicContact CE1-CG 3.94Å; Y831-R854 HydrophobicContact CE2-CG 4.06Å; Y831-R854 WeakPolarHBondContact OH-CD 3.49Å; Y831-Y904 HydrophobicContact CE1-CE2 4.46Å
832I89.4Confident69.8Low3 Ų356.6 Ų56.62%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-78.3117171.4-61.4-178.9000108.3I791 F793 L835 V849 T851 G852 D853I791-I832 HydrophobicContact CD1-CD1 4.32Å; I791-I832 HydrophobicContact CG2-CB 4.24Å; I791-I832 HydrophobicContact CG2-CD1 3.85Å; I791-I832 HydrophobicContact CG2-CG1 3.64Å; I791-I832 HydrophobicContact CG2-CG2 3.85Å; F793-I832 HydrophobicContact CD1-CG1 4.02Å; F793-I832 HydrophobicContact CE1-CD1 4.41Å; F793-I832 HydrophobicContact CE1-CG1 3.78Å; I832-L835 HydrophobicContact CG2-CD2 3.83Å; I832-L835 HydrophobicContact CG2-CG 4.33Å; I832-V849 HydrophobicContact CD1-CB 3.58Å; I832-V849 HydrophobicContact CD1-CG1 3.92Å; I832-V849 HydrophobicContact CD1-CG2 3.85Å; I832-T851 HydrophobicContact CG2-CG2 4.42Å; I832-T851 WeakPolarHBondContact O-CA 3.48Å; I832-G852 PolarHBondContact O-N 2.87Å; I832-D853 HydrophobicContact CD1-CB 4.29Å; I832-D853 PolarHBondContact N-O 3.04Å
833D85.6Confident70.8Confident73 Ų7354.7 Ų54.739%0.3931%0.305SS..EExtended strand (participates in β ladder)trans-91.2-44.9179.9-153.844.2000110.8N792 K794 Y831 T851N792-D833 PolarHBondContact O-N 3.43Å; K794-D833 HydrophobicContact CB-CB 3.82Å; K794-D833 HydrophobicContact CD-CB 3.91Å; K794-D833 WeakPolarHBondContact CD-OD1 3.44Å; K794-D833 VanDerWaalsContact CD-OD2 3.25Å; K794-D833 WeakPolarHBondContact CD-OD2 3.31Å; K794-D833 IonicContact NZ-OD1 3.54Å; K794-D833 PolarHBondContact NZ-OD1 3.48Å; K794-D833 IonicContact NZ-OD2 3.83Å; K794-D833 PolarHBondContact NZ-OD2 3.18Å; Y831-D833 PolarHBondContact O-N 3.39Å; D833-T851 WeakPolarHBondContact O-CG2 3.15Å
834S83.1Confident71.5Confident45 Ų4552.3 Ų52.332%0.31530%0.299SS..EExtended strand (participates in β ladder)trans-144160.6172.987.80000112.2N792N792-S834 WeakPolarHBondContact CB-OG 3.44Å; N792-S834 PolarHBondContact N-O 2.79Å; N792-S834 PolarHBondContact ND2-OG 3.25Å; N792-S834 PolarHBondContact O-N 3.24Å
835L85.4Confident72.1Confident39 Ų3954.9 Ų54.920%0.20432%0.32CS..EExtended strand (participates in β ladder)trans-110.7143167.9-61.1175.3000108.5I791 I832 V841 T842 V847 V849I791-L835 HydrophobicContact CB-CD2 4.45Å; I791-L835 HydrophobicContact CG1-CD2 3.94Å; I791-L835 HydrophobicContact CG2-CD2 4.37Å; I832-L835 HydrophobicContact CG2-CD2 3.83Å; I832-L835 HydrophobicContact CG2-CG 4.33Å; L835-V841 HydrophobicContact CD2-CG1 4.01Å; L835-T842 HydrophobicContact CB-CG2 4.08Å; L835-V847 HydrophobicContact CD1-CG1 4.27Å; L835-V849 WeakPolarHBondContact CD1-O 3.4Å; L835-V849 HydrophobicContact CD2-CG2 3.99Å
836V80.2Confident72.8Confident53 Ų5360.5 Ų60.532%0.32133%0.328SS..  trans-92.3128.3175.9-174.90000108.5G790 T839 T842G790-V836 PolarHBondContact O-N 3.4Å; V836-T839 HydrophobicContact CB-CG2 3.77Å; V836-T839 HydrophobicContact CG1-CG2 3.73Å; V836-T839 PolarHBondContact O-OG1 2.71Å; V836-T842 WeakPolarHBondContact O-CG2 3.37Å; V836-T842 PolarHBondContact O-OG1 2.76Å
837P69Low73.1Confident93 Ų9362.8 Ų62.860%0.60434%0.341SS*.THydrogen-bonded Turntrans-62.5158.1176.927.7-35.2000111.5T839P837-T839 WeakPolarHBondContact O-CG2 3.46Å; P837-T839 PolarHBondContact O-N 3.02Å; P837-T839 VanDerWaalsContact O-N 3.14Å
838D67.6Low73.5Confident155 Ų15560.9 Ų60.983%0.82933%0.333SS*.THydrogen-bonded Turntrans56.128.5175.5-48.6-36000115.5T842D838-T842 PolarHBondContact N-OG1 3.04Å; D838-T842 VanDerWaalsContact N-OG1 3.12Å
839T73.6Confident74.1Confident18 Ų1859.3 Ų59.311%0.1132%0.322CS..SBendtrans-110.2174.7176.261.90000111.7G790 V836 P837 V841 T842 S843G790-T839 WeakPolarHBondContact CA-OG1 3.3Å; V836-T839 HydrophobicContact CB-CG2 3.77Å; V836-T839 HydrophobicContact CG1-CG2 3.73Å; V836-T839 PolarHBondContact O-OG1 2.71Å; P837-T839 WeakPolarHBondContact O-CG2 3.46Å; P837-T839 PolarHBondContact O-N 3.02Å; P837-T839 VanDerWaalsContact O-N 3.14Å; T839-V841 PolarHBondContact O-N 2.86Å; T839-T842 PolarHBondContact N-OG1 2.69Å; T839-T842 PolarHBondContact O-N 3.49Å; T839-T842 PolarHBondContact O-OG1 3Å; T839-T842 PolarHBondContact OG1-OG1 3.3Å; T839-S843 VanDerWaalsContact O-CB 3.26Å; T839-S843 WeakPolarHBondContact O-CB 3.19Å; T839-S843 PolarHBondContact O-N 3.45Å; T839-S843 PolarHBondContact O-OG 2.98Å; T839-S843 VanDerWaalsContact O-OG 3.14Å
840L71.3Confident74Confident32 Ų3262.9 Ų62.917%0.16834%0.337CS..THydrogen-bonded Turntrans-49.8-32-177.5-67.6172.9000114.4L770 P771 P787 L788 S843L770-L840 HydrophobicContact CD2-CD1 3.58Å; P771-L840 VanDerWaalsContact CD-CD2 3.45Å; P771-L840 HydrophobicContact CG-CD2 3.98Å; P787-L840 HydrophobicContact CB-CD1 4.1Å; P787-L840 HydrophobicContact CB-CD2 4.25Å; P787-L840 HydrophobicContact CB-CG 4.34Å; P787-L840 HydrophobicContact CG-CD1 4.23Å; L788-L840 WeakPolarHBondContact O-CG 3.42Å; L788-L840 PolarHBondContact O-N 2.78Å; L840-S843 PolarHBondContact O-OG 2.99Å
841V70.8Confident73.9Confident3 Ų365.7 Ų65.72%0.01835%0.354CS..THydrogen-bonded Turntrans-91.3-14.9-174.5173.20000113.2Y768 L789 I791 L835 T839 V849Y768-V841 HydrophobicContact CD1-CG2 4.07Å; Y768-V841 HydrophobicContact CE1-CB 4.31Å; Y768-V841 HydrophobicContact CE1-CG1 4.35Å; Y768-V841 HydrophobicContact CE1-CG2 3.67Å; L789-V841 HydrophobicContact CD1-CG2 3.84Å; L789-V841 HydrophobicContact CG-CG2 4.11Å; L789-V841 WeakPolarHBondContact O-CB 3.36Å; L789-V841 WeakPolarHBondContact O-CG2 3.19Å; I791-V841 HydrophobicContact CD1-CG1 4.26Å; I791-V841 HydrophobicContact CD1-CG2 3.92Å; I791-V841 HydrophobicContact CG1-CB 4.27Å; I791-V841 HydrophobicContact CG1-CG1 4.06Å; I791-V841 HydrophobicContact CG1-CG2 3.89Å; L835-V841 HydrophobicContact CD2-CG1 4.01Å; T839-V841 PolarHBondContact O-N 2.86Å; V841-V849 HydrophobicContact CG1-CG2 3.34Å
842T68.7Low73.5Confident31 Ų3166.1 Ų66.119%0.1936%0.361CS..THydrogen-bonded Turntrans-114.6-23.2-179.348.10000113.4L835 V836 D838 T839L835-T842 HydrophobicContact CB-CG2 4.08Å; V836-T842 WeakPolarHBondContact O-CG2 3.37Å; V836-T842 PolarHBondContact O-OG1 2.76Å; D838-T842 PolarHBondContact N-OG1 3.04Å; D838-T842 VanDerWaalsContact N-OG1 3.12Å; T839-T842 PolarHBondContact N-OG1 2.69Å; T839-T842 PolarHBondContact O-N 3.49Å; T839-T842 PolarHBondContact O-OG1 3Å; T839-T842 PolarHBondContact OG1-OG1 3.3Å
843S58.9Low73.6Confident46 Ų4666.1 Ų66.132%0.32236%0.361SS..G310 helixtrans-57.1158.7169.566.70000112.4T839 L840 N845T839-S843 VanDerWaalsContact O-CB 3.26Å; T839-S843 WeakPolarHBondContact O-CB 3.19Å; T839-S843 PolarHBondContact O-N 3.45Å; T839-S843 PolarHBondContact O-OG 2.98Å; T839-S843 VanDerWaalsContact O-OG 3.14Å; L840-S843 PolarHBondContact O-OG 2.99Å; S843-N845 PolarHBondContact O-N 2.91Å
844N56Low73.8Confident145 Ų14563 Ų6378%0.77534%0.344SS*.G310 helixtrans61.716.9-177-52-31.4000115.2R846N844-R846 PolarHBondContact O-N 3.25Å
845N51.5Low74.2Confident158 Ų15861.1 Ų61.185%0.84533%0.33SS*.G310 helixtrans57.620.8171.4-144.412.2000114.9S843S843-N845 PolarHBondContact O-N 2.91Å
846R56.3Low74.4Confident202 Ų20259.9 Ų59.976%0.76232%0.324SS*.  trans-113.282.2-179.9-74.6-178.7176.4-178.60.4110.2N844 T848N844-R846 PolarHBondContact O-N 3.25Å; R846-T848 VanDerWaalsContact C-N 3.34Å; R846-T848 PolarHBondContact O-N 3.19Å
847V60.9Low74.9Confident91 Ų9157.7 Ų57.755%0.55231%0.312SS*.  trans-66.492.4174.9-1770000109.7L835 V849L835-V847 HydrophobicContact CD1-CG1 4.27Å; V847-V849 WeakPolarHBondContact CG1-O 3.39Å
848T77.5Confident76.1Confident34 Ų3453.4 Ų53.421%0.20928%0.284CS..  trans-75.6-69.3-175.438.10000110.8F766 Y768 R846 R903F766-T848 HydrophobicContact CB-CG2 4.41Å; F766-T848 HydrophobicContact CD1-CG2 3.75Å; F766-T848 HydrophobicContact CE1-CG2 4.31Å; F766-T848 WeakPolarHBondContact CE2-O 3.31Å; F766-T848 HydrophobicContact CG-CG2 4.24Å; F766-T848 WeakPolarHBondContact CZ-O 3.28Å; Y768-T848 WeakPolarHBondContact CE1-OG1 3.5Å; Y768-T848 PolarHBondContact OH-OG1 2.86Å; R846-T848 VanDerWaalsContact C-N 3.34Å; R846-T848 PolarHBondContact O-N 3.19Å; T848-R903 PolarHBondContact O-NH2 2.94Å
849V85.4Confident77.2Confident0 Ų049.4 Ų49.40%026%0.263CS..SBendtrans-78.1153.3170.2-72.20000111.7F766 I791 I832 L835 V841 V847 V901F766-V849 HydrophobicContact CD2-CG1 3.55Å; F766-V849 HydrophobicContact CE2-CG1 3.75Å; I791-V849 HydrophobicContact CD1-CG2 4.02Å; I832-V849 HydrophobicContact CD1-CB 3.58Å; I832-V849 HydrophobicContact CD1-CG1 3.92Å; I832-V849 HydrophobicContact CD1-CG2 3.85Å; L835-V849 WeakPolarHBondContact CD1-O 3.4Å; L835-V849 HydrophobicContact CD2-CG2 3.99Å; V841-V849 HydrophobicContact CG1-CG2 3.34Å; V847-V849 WeakPolarHBondContact CG1-O 3.39Å; V849-V901 HydrophobicContact CG1-CG1 3.98Å; V849-V901 HydrophobicContact CG1-CG2 4.24Å
850K83.7Confident77.8Confident81 Ų8153.8 Ų53.835%0.35229%0.285SS..  trans-120.7156.7176.4-71.4-175.1-178.7-174.10110.1D853 D909K850-D853 PolarHBondContact N-OD2 3Å; K850-D853 VanDerWaalsContact O-CB 3.29Å; K850-D853 WeakPolarHBondContact O-CB 3.29Å; K850-D853 VanDerWaalsContact O-CG 3.28Å; K850-D853 PolarHBondContact O-N 2.75Å; K850-D909 IonicContact NZ-OD1 2.91Å; K850-D909 IonicContact NZ-OD2 3.83Å; K850-D909 PolarHBondContact NZ-OD2 2.59Å
851T85.3Confident78.7Confident69 Ų6957.1 Ų57.142%0.42330%0.3SS..THydrogen-bonded Turntrans-60.8136.4166.352.90000110.4I832 D833I832-T851 HydrophobicContact CG2-CG2 4.42Å; I832-T851 WeakPolarHBondContact O-CA 3.48Å; D833-T851 WeakPolarHBondContact O-CG2 3.15Å
852G84.3Confident79.6Confident18 Ų1859.7 Ų59.719%0.18632%0.318CS..THydrogen-bonded Turntrans88.3-6.6-171.400000115.5I832I832-G852 PolarHBondContact O-N 2.87Å
853D90.9Very high80.6Confident3 Ų358.4 Ų58.42%0.01631%0.31CS..PPolyproline II helixtrans-68.6136.4169.7-71.7-13.8000110.8Y831 I832 K850 V901 R903Y831-D853 CarbonylContact C-O 3.5Å; Y831-D853 WeakPolarHBondContact CA-O 3.46Å; I832-D853 HydrophobicContact CD1-CB 4.29Å; I832-D853 PolarHBondContact N-O 3.04Å; K850-D853 PolarHBondContact N-OD2 3Å; K850-D853 VanDerWaalsContact O-CB 3.29Å; K850-D853 WeakPolarHBondContact O-CB 3.29Å; K850-D853 VanDerWaalsContact O-CG 3.28Å; K850-D853 PolarHBondContact O-N 2.75Å; D853-V901 HydrophobicContact CB-CB 4.1Å; D853-V901 HydrophobicContact CB-CG2 4.06Å; D853-R903 WeakPolarHBondContact OD1-CA 3.42Å; D853-R903 WeakPolarHBondContact OD1-CB 3.34Å; D853-R903 WeakPolarHBondContact OD1-CG 3.4Å; D853-R903 IonicContact OD1-CZ 3.41Å; D853-R903 IonicContact OD1-NE 3.86Å; D853-R903 PolarHBondContact OD1-NE 2.87Å; D853-R903 IonicContact OD1-NH2 3.44Å; D853-R903 IonicContact OD2-CZ 3.3Å; D853-R903 IonicContact OD2-NE 2.76Å; D853-R903 PolarHBondContact OD2-NE 2.72Å; D853-R903 IonicContact OD2-NH2 3.23Å; D853-R903 PolarHBondContact OD2-NH2 2.91Å
854R89.3Confident81.8Confident8 Ų859.8 Ų59.83%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-91.4129.4174.8-173.4-175.2-178.1-96.5-3.8110.3I827 P828 L830 Y831 V856 D864 V901 H902I827-R854 PolarHBondContact O-NE 2.97Å; P828-R854 PolarHBondContact O-NH2 2.8Å; L830-R854 CarbonylContact O-C 3.54Å; L830-R854 WeakPolarHBondContact O-CA 3.26Å; Y831-R854 HydrophobicContact CD1-CB 3.88Å; Y831-R854 HydrophobicContact CD1-CG 4.39Å; Y831-R854 HydrophobicContact CE1-CB 3.56Å; Y831-R854 HydrophobicContact CE1-CG 3.94Å; Y831-R854 HydrophobicContact CE2-CG 4.06Å; Y831-R854 WeakPolarHBondContact OH-CD 3.49Å; R854-V856 HydrophobicContact CG-CG2 4.43Å; R854-D864 IonicContact CZ-OD1 2.75Å; R854-D864 IonicContact NH1-OD1 3.24Å; R854-D864 PolarHBondContact NH1-OD1 2.82Å; R854-D864 IonicContact NH1-OD2 2.72Å; R854-D864 IonicContact NH2-OD1 3.42Å; R854-D864 PolarHBondContact NH2-OD1 2.84Å; R854-V901 CarbonylContact O-C 3.3Å; R854-V901 WeakPolarHBondContact O-CA 3.49Å; R854-V901 VanDerWaalsContact O-CB 3.31Å; R854-V901 WeakPolarHBondContact O-CB 3.33Å; R854-H902 HydrophobicContact CB-CB 4.28Å; R854-H902 PolarHBondContact N-O 3.32Å; R854-H902 PolarHBondContact O-N 2.74Å
855L92.3Very high82.8Confident4 Ų456 Ų562%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-72.6133.3172.1-173.464000110.6F793 L830 I858 V863 I871 L899 V901F793-L855 HydrophobicContact CE1-CB 4.18Å; F793-L855 HydrophobicContact CE1-CD2 4.03Å; F793-L855 HydrophobicContact CZ-CD2 4.21Å; L830-L855 HydrophobicContact CB-CB 4.47Å; L830-L855 PolarHBondContact O-N 3.2Å; L855-I858 HydrophobicContact CD1-CG1 4.43Å; L855-I858 HydrophobicContact CD2-CD1 4.17Å; L855-I858 HydrophobicContact CD2-CG1 4.15Å; L855-V863 HydrophobicContact CD2-CG2 4.49Å; L855-V863 HydrophobicContact CG-CG2 4.06Å; L855-I871 HydrophobicContact CD2-CG2 3.93Å; L855-L899 HydrophobicContact CD1-CB 4.27Å; L855-L899 HydrophobicContact CD1-CD2 4.25Å; L855-V901 HydrophobicContact CD1-CG1 4.18Å
856V89.6Confident84.4Confident13 Ų1350.9 Ų50.98%0.07928%0.281CS..EExtended strand (participates in β ladder)trans-130.2-31.4-174.4-178.90000113.3R854 S862 V863 T900 H902R854-V856 HydrophobicContact CG-CG2 4.43Å; V856-S862 CarbonylContact O-C 3.46Å; V856-S862 WeakPolarHBondContact O-CA 3.41Å; V856-S862 PolarHBondContact O-OG 2.84Å; V856-V863 VanDerWaalsContact C-CG2 3.49Å; V856-V863 WeakPolarHBondContact O-CG2 3.28Å; V856-V863 PolarHBondContact O-N 2.84Å; V856-T900 WeakPolarHBondContact CA-O 3.43Å; V856-T900 PolarHBondContact N-O 2.94Å; V856-H902 HydrophobicContact CG2-CB 3.88Å
857A91.1Very high85.7Confident7 Ų742.8 Ų42.86%0.05825%0.252CS..EExtended strand (participates in β ladder)trans-146.9158.916700000112.7E861 T900A857-E861 CarbonylContact C-O 3.59Å; A857-E861 WeakPolarHBondContact CA-O 3.46Å; A857-E861 VanDerWaalsContact CB-O 3.3Å; A857-E861 WeakPolarHBondContact CB-O 3.4Å; A857-T900 PolarHBondContact N-O 2.87Å; A857-T900 PolarHBondContact O-N 2.82Å
858I92.8Very high86.9Confident4 Ų439.4 Ų39.42%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-128.6124.6172-54.6168.9000106.9L855 D860 E861 V863 I871 K874 L875 V878 T898 L899L855-I858 HydrophobicContact CD1-CG1 4.43Å; L855-I858 HydrophobicContact CD2-CD1 4.17Å; L855-I858 HydrophobicContact CD2-CG1 4.15Å; I858-D860 PolarHBondContact O-N 2.76Å; I858-E861 PolarHBondContact N-O 2.75Å; I858-E861 WeakPolarHBondContact O-CB 3.04Å; I858-E861 PolarHBondContact O-N 3.3Å; I858-V863 HydrophobicContact CD1-CG1 3.95Å; I858-V863 HydrophobicContact CG1-CG1 4.02Å; I858-I871 HydrophobicContact CD1-CG2 4.05Å; I858-K874 HydrophobicContact CD1-CB 4.43Å; I858-L875 HydrophobicContact CD1-CB 3.93Å; I858-L875 HydrophobicContact CD1-CD1 4.18Å; I858-L875 HydrophobicContact CG2-CD1 4.34Å; I858-V878 HydrophobicContact CG2-CB 4.35Å; I858-V878 HydrophobicContact CG2-CG1 4.32Å; I858-V878 HydrophobicContact CG2-CG2 4.01Å; I858-T898 WeakPolarHBondContact CA-O 3.18Å; I858-L899 HydrophobicContact CB-CD2 4.42Å; I858-L899 HydrophobicContact CG1-CD2 4.06Å; I858-L899 HydrophobicContact CG2-CD2 4.07Å
859N91.2Very high87.3Confident71 Ų7145 Ų4538%0.3826%0.256SS..THydrogen-bonded Turntrans48.742.7-170.2-69.5-1.5000112E861 F897 T898N859-E861 PolarHBondContact O-N 3.23Å; N859-F897 VanDerWaalsContact OD1-CA 3.23Å; N859-F897 WeakPolarHBondContact OD1-CA 3.25Å; N859-F897 VanDerWaalsContact OD1-CB 3.22Å; N859-F897 WeakPolarHBondContact OD1-CB 3.44Å; N859-T898 VanDerWaalsContact CA-OG1 3.29Å; N859-T898 WeakPolarHBondContact CA-OG1 3.46Å; N859-T898 PolarHBondContact N-O 3.23Å; N859-T898 PolarHBondContact N-OG1 3.42Å; N859-T898 PolarHBondContact OD1-N 2.91Å
860D86.8Confident87.5Confident109 Ų10948 Ų4858%0.58327%0.274SS*.THydrogen-bonded Turntrans56.62.4-174-59.8-62.5000116.6I858 S862 T898 T900I858-D860 PolarHBondContact O-N 2.76Å; D860-S862 PolarHBondContact O-N 3.48Å; D860-T898 PolarHBondContact OD2-OG1 3.29Å; D860-T900 PolarHBondContact OD1-OG1 3.06Å
861E90Very high87.7Confident102 Ų10244.3 Ų44.348%0.47726%0.258SS..EExtended strand (participates in β ladder)trans-74.4114.6166.4-162-160.1-173.200109.8A857 I858 N859 V863 K874A857-E861 CarbonylContact C-O 3.59Å; A857-E861 WeakPolarHBondContact CA-O 3.46Å; A857-E861 VanDerWaalsContact CB-O 3.3Å; A857-E861 WeakPolarHBondContact CB-O 3.4Å; I858-E861 PolarHBondContact N-O 2.75Å; I858-E861 WeakPolarHBondContact O-CB 3.04Å; I858-E861 PolarHBondContact O-N 3.3Å; N859-E861 PolarHBondContact O-N 3.23Å; E861-V863 PolarHBondContact O-N 2.75Å; E861-K874 IonicContact OE1-NZ 3.8Å; E861-K874 PolarHBondContact OE1-NZ 3.25Å; E861-K874 WeakPolarHBondContact OE2-CE 3.25Å; E861-K874 IonicContact OE2-NZ 2.93Å; E861-K874 PolarHBondContact OE2-NZ 3.4Å
862S89.9Confident87.9Confident57 Ų5743.4 Ų43.440%0.39925%0.252SS..EExtended strand (participates in β ladder)trans-61137.1-179.7-177.90000112V856 D860 D864 M866V856-S862 CarbonylContact O-C 3.46Å; V856-S862 WeakPolarHBondContact O-CA 3.41Å; V856-S862 PolarHBondContact O-OG 2.84Å; D860-S862 PolarHBondContact O-N 3.48Å; S862-D864 PolarHBondContact OG-N 2.72Å; S862-M866 WeakPolarHBondContact O-CE 3.4Å
863V89.3Confident88.1Confident5 Ų546.2 Ų46.23%0.0326%0.263CS..  trans-103.73.5175.1-62.80000113L855 V856 I858 E861 G865 M866 I871L855-V863 HydrophobicContact CD2-CG2 4.49Å; L855-V863 HydrophobicContact CG-CG2 4.06Å; V856-V863 VanDerWaalsContact C-CG2 3.49Å; V856-V863 WeakPolarHBondContact O-CG2 3.28Å; V856-V863 PolarHBondContact O-N 2.84Å; I858-V863 HydrophobicContact CD1-CG1 3.95Å; I858-V863 HydrophobicContact CG1-CG1 4.02Å; E861-V863 PolarHBondContact O-N 2.75Å; V863-G865 PolarHBondContact O-N 3.24Å; V863-M866 PolarHBondContact O-N 3.43Å; V863-I871 HydrophobicContact CB-CD1 3.91Å; V863-I871 HydrophobicContact CB-CG1 3.91Å; V863-I871 HydrophobicContact CB-CG2 4.03Å; V863-I871 HydrophobicContact CG1-CG1 4.29Å; V863-I871 HydrophobicContact CG1-CG2 3.85Å; V863-I871 HydrophobicContact CG2-CD1 4.34Å; V863-I871 HydrophobicContact CG2-CG2 4.31Å
864D83.5Confident88.1Confident74 Ų7448.2 Ų48.240%0.39627%0.272SS..THydrogen-bonded Turntrans-59.7130.5176.4-87.8-40.6000111.8R854 S862 M866R854-D864 IonicContact CZ-OD1 2.75Å; R854-D864 IonicContact NH1-OD1 3.24Å; R854-D864 PolarHBondContact NH1-OD1 2.82Å; R854-D864 IonicContact NH1-OD2 2.72Å; R854-D864 IonicContact NH2-OD1 3.42Å; R854-D864 PolarHBondContact NH2-OD1 2.84Å; S862-D864 PolarHBondContact OG-N 2.72Å; D864-M866 PolarHBondContact O-N 3.31Å
865G78.2Confident88.2Confident65 Ų6548.4 Ų48.467%0.6727%0.273SS*.THydrogen-bonded Turntrans79.4-8.6-179.800000115.7R698 V863R698-G865 WeakPolarHBondContact CD-O 3.42Å; V863-G865 PolarHBondContact O-N 3.24Å
866M85.2Confident88.1Confident51 Ų5154.8 Ų54.825%0.25130%0.301SS..  trans-75.5150.8172.4-58.7-174.9-169.900110.7W795 S862 V863 D864 I871 K874W795-M866 WeakPolarHBondContact CH2-O 3.14Å; S862-M866 WeakPolarHBondContact O-CE 3.4Å; V863-M866 PolarHBondContact O-N 3.43Å; D864-M866 PolarHBondContact O-N 3.31Å; M866-I871 HydrophobicContact CB-CD1 4.01Å; M866-I871 HydrophobicContact CB-CG1 3.64Å; M866-K874 VanDerWaalsContact CE-NZ 3.29Å; M866-K874 HydrophobicContact SD-CD 4.09Å; M866-K874 PolarHBondContact SD-NZ 3.28Å
867N83.3Confident88.1Confident32 Ų3258.6 Ų58.617%0.17132%0.321CS..  trans-80156.9176.572.610.4000112.1D696 R698 K869 T870 I871D696-N867 WeakPolarHBondContact O-CB 3.15Å; D696-N867 WeakPolarHBondContact OD2-CB 3.5Å; D696-N867 PolarHBondContact OD2-ND2 3.34Å; R698-N867 HydrophobicContact CG-CB 4.38Å; N867-K869 VanDerWaalsContact C-N 3.27Å; N867-K869 PolarHBondContact O-N 3.35Å; N867-K869 VanDerWaalsContact O-N 3.15Å; N867-T870 PolarHBondContact O-N 2.69Å; N867-T870 VanDerWaalsContact OD1-CB 3.26Å; N867-T870 WeakPolarHBondContact OD1-CB 3.38Å; N867-T870 PolarHBondContact OD1-N 3.11Å; N867-T870 PolarHBondContact OD1-OG1 3.07Å; N867-I871 WeakPolarHBondContact O-CG1 3.37Å; N867-I871 PolarHBondContact O-N 2.65Å; N867-I871 VanDerWaalsContact O-N 3.14Å
868A85.1Confident88.1Confident20 Ų2059.3 Ų59.317%0.16532%0.324CS..Hα-helixtrans-48.5-46.7-175.900000113.1W795 T870 I871 V872W795-A868 HydrophobicContact CD2-CB 4.21Å; W795-A868 HydrophobicContact CE3-CB 3.54Å; W795-A868 HydrophobicContact CZ3-CB 4.05Å; A868-T870 PolarHBondContact O-N 3.18Å; A868-I871 PolarHBondContact O-N 3.19Å; A868-V872 WeakPolarHBondContact O-CG2 3.36Å; A868-V872 PolarHBondContact O-N 3.36Å
869K86.2Confident87.8Confident152 Ų15260.3 Ų60.366%0.66133%0.329SS*.Hα-helixtrans-64.1-40.4-178.6-170.4171.5-176.8174.10112.6N867 N873N867-K869 VanDerWaalsContact C-N 3.27Å; N867-K869 PolarHBondContact O-N 3.35Å; N867-K869 VanDerWaalsContact O-N 3.15Å; K869-N873 VanDerWaalsContact O-CB 3.28Å; K869-N873 WeakPolarHBondContact O-CB 3.47Å; K869-N873 PolarHBondContact O-N 2.95Å; K869-N873 PolarHBondContact O-OD1 3.33Å
870T88.8Confident87.6Confident62 Ų6262.6 Ų62.638%0.3834%0.336SS..Hα-helixtrans-66.5-41.8177.4-57.70000111.2N867 A868 N873 K874N867-T870 PolarHBondContact O-N 2.69Å; N867-T870 VanDerWaalsContact OD1-CB 3.26Å; N867-T870 WeakPolarHBondContact OD1-CB 3.38Å; N867-T870 PolarHBondContact OD1-N 3.11Å; N867-T870 PolarHBondContact OD1-OG1 3.07Å; A868-T870 PolarHBondContact O-N 3.18Å; T870-N873 PolarHBondContact O-N 3.3Å; T870-K874 WeakPolarHBondContact O-CG 3.47Å; T870-K874 PolarHBondContact O-N 3.26Å
871I89.7Confident87.6Confident4 Ų460.7 Ų60.72%0.02132%0.324CS..Hα-helixtrans-67.5-44.5-179.9-55.4169.6000111W795 L830 L855 I858 V863 M866 N867 A868 N873 K874 L875W795-I871 HydrophobicContact CZ3-CD1 4.21Å; L830-I871 HydrophobicContact CD1-CB 3.63Å; L830-I871 HydrophobicContact CD1-CD1 3.97Å; L830-I871 HydrophobicContact CD1-CG1 4.41Å; L830-I871 HydrophobicContact CD1-CG2 3.53Å; L855-I871 HydrophobicContact CD2-CG2 3.93Å; I858-I871 HydrophobicContact CD1-CG2 4.05Å; V863-I871 HydrophobicContact CB-CD1 3.91Å; V863-I871 HydrophobicContact CB-CG1 3.91Å; V863-I871 HydrophobicContact CB-CG2 4.03Å; V863-I871 HydrophobicContact CG1-CG1 4.29Å; V863-I871 HydrophobicContact CG1-CG2 3.85Å; V863-I871 HydrophobicContact CG2-CD1 4.34Å; V863-I871 HydrophobicContact CG2-CG2 4.31Å; M866-I871 HydrophobicContact CB-CD1 4.01Å; M866-I871 HydrophobicContact CB-CG1 3.64Å; N867-I871 WeakPolarHBondContact O-CG1 3.37Å; N867-I871 PolarHBondContact O-N 2.65Å; N867-I871 VanDerWaalsContact O-N 3.14Å; A868-I871 PolarHBondContact O-N 3.19Å; I871-N873 VanDerWaalsContact C-N 3.33Å; I871-N873 PolarHBondContact O-N 3.35Å; I871-K874 PolarHBondContact O-N 3.11Å; I871-L875 WeakPolarHBondContact O-CB 3.35Å; I871-L875 PolarHBondContact O-N 2.93Å
872V88.2Confident87.4Confident51 Ų5156 Ų5631%0.30930%0.302SS..Hα-helixtrans-61.9-40.8174.7170.90000111.3L830 A868 L875 K876L830-V872 HydrophobicContact CD1-CG2 4.4Å; A868-V872 WeakPolarHBondContact O-CG2 3.36Å; A868-V872 PolarHBondContact O-N 3.36Å; V872-L875 PolarHBondContact O-N 3.34Å; V872-K876 HydrophobicContact CG1-CD 4.23Å; V872-K876 WeakPolarHBondContact O-CB 3.04Å; V872-K876 WeakPolarHBondContact O-CG 3.17Å; V872-K876 PolarHBondContact O-N 2.85Å
873N89.5Confident87Confident76 Ų7654.7 Ų54.741%0.40629%0.289SS..Hα-helixtrans-65.1-40.8175.6-74.3-2.8000112.2K869 T870 I871 K876 N877K869-N873 VanDerWaalsContact O-CB 3.28Å; K869-N873 WeakPolarHBondContact O-CB 3.47Å; K869-N873 PolarHBondContact O-N 2.95Å; K869-N873 PolarHBondContact O-OD1 3.33Å; T870-N873 PolarHBondContact O-N 3.3Å; I871-N873 VanDerWaalsContact C-N 3.33Å; I871-N873 PolarHBondContact O-N 3.35Å; N873-K876 PolarHBondContact O-N 3.03Å; N873-N877 WeakPolarHBondContact O-CB 3.4Å; N873-N877 PolarHBondContact O-N 3.01Å; N873-N877 PolarHBondContact O-ND2 3.01Å
874K91.4Very high86.7Confident45 Ų4557.2 Ų57.220%0.19630%0.301CS..Hα-helixtrans-60.9-47.8173.4-79.1-176.3168.9-165.70111.8I858 E861 M866 T870 I871 K876 N877 V878I858-K874 HydrophobicContact CD1-CB 4.43Å; E861-K874 IonicContact OE1-NZ 3.8Å; E861-K874 PolarHBondContact OE1-NZ 3.25Å; E861-K874 WeakPolarHBondContact OE2-CE 3.25Å; E861-K874 IonicContact OE2-NZ 2.93Å; E861-K874 PolarHBondContact OE2-NZ 3.4Å; M866-K874 VanDerWaalsContact CE-NZ 3.29Å; M866-K874 HydrophobicContact SD-CD 4.09Å; M866-K874 PolarHBondContact SD-NZ 3.28Å; T870-K874 WeakPolarHBondContact O-CG 3.47Å; T870-K874 PolarHBondContact O-N 3.26Å; I871-K874 PolarHBondContact O-N 3.11Å; K874-K876 PolarHBondContact O-N 3.37Å; K874-N877 PolarHBondContact O-N 2.94Å; K874-N877 VanDerWaalsContact O-N 3.17Å; K874-V878 WeakPolarHBondContact O-CG2 3.32Å; K874-V878 PolarHBondContact O-N 2.99Å
875L90.7Very high86.5Confident13 Ų1359.2 Ų59.27%0.06830%0.303CS..Hα-helixtrans-59.8-47.1178-173.561.8000111.8L789 F793 I858 I871 V872 N877 V878 I879 L899L789-L875 HydrophobicContact CD2-CD1 4.31Å; L789-L875 HydrophobicContact CD2-CD2 3.9Å; L789-L875 HydrophobicContact CD2-CG 4.37Å; F793-L875 HydrophobicContact CD2-CD2 4.43Å; F793-L875 HydrophobicContact CE2-CD2 3.53Å; F793-L875 HydrophobicContact CZ-CD2 4.01Å; I858-L875 HydrophobicContact CD1-CB 3.93Å; I858-L875 HydrophobicContact CD1-CD1 4.18Å; I858-L875 HydrophobicContact CG2-CD1 4.34Å; I871-L875 WeakPolarHBondContact O-CB 3.35Å; I871-L875 PolarHBondContact O-N 2.93Å; V872-L875 PolarHBondContact O-N 3.34Å; L875-N877 VanDerWaalsContact C-N 3.33Å; L875-N877 PolarHBondContact O-N 2.66Å; L875-V878 PolarHBondContact O-N 3.19Å; L875-I879 HydrophobicContact CD1-CD1 4.28Å; L875-I879 HydrophobicContact CG-CD1 4.09Å; L875-I879 WeakPolarHBondContact O-CG1 3.42Å; L875-I879 PolarHBondContact O-N 3.35Å; L875-I879 VanDerWaalsContact O-N 3.07Å; L875-L899 HydrophobicContact CD1-CD2 3.75Å
876K89.5Confident86.3Confident138 Ų13857 Ų5760%0.628%0.275SS*.Hα-helixtrans-58.7-42.4174-74.6-178.3176.9-171.70111.9V872 N873 K874 K880V872-K876 HydrophobicContact CG1-CD 4.23Å; V872-K876 WeakPolarHBondContact O-CB 3.04Å; V872-K876 WeakPolarHBondContact O-CG 3.17Å; V872-K876 PolarHBondContact O-N 2.85Å; N873-K876 PolarHBondContact O-N 3.03Å; K874-K876 PolarHBondContact O-N 3.37Å; K876-K880 VanDerWaalsContact O-CB 3.31Å; K876-K880 WeakPolarHBondContact O-CB 3.34Å; K876-K880 PolarHBondContact O-N 2.86Å
877N90.4Very high85.8Confident93 Ų9360.2 Ų60.250%0.49729%0.293SS..Hα-helixtrans-67.3-38178.4-74.2-13.3000113N873 K874 L875 Q881N873-N877 WeakPolarHBondContact O-CB 3.4Å; N873-N877 PolarHBondContact O-N 3.01Å; N873-N877 PolarHBondContact O-ND2 3.01Å; K874-N877 PolarHBondContact O-N 2.94Å; K874-N877 VanDerWaalsContact O-N 3.17Å; L875-N877 VanDerWaalsContact C-N 3.33Å; L875-N877 PolarHBondContact O-N 2.66Å; N877-Q881 WeakPolarHBondContact O-CB 3.5Å; N877-Q881 VanDerWaalsContact O-CG 3.3Å; N877-Q881 WeakPolarHBondContact O-CG 3.26Å; N877-Q881 PolarHBondContact O-N 2.89Å
878V90.7Very high85.1Confident22 Ų2263.6 Ų63.613%0.13332%0.319CS..Hα-helixtrans-65.5-48.9176.3167.50000110.8I858 K874 L875 K880 Q881 C882 F897I858-V878 HydrophobicContact CG2-CB 4.35Å; I858-V878 HydrophobicContact CG2-CG1 4.32Å; I858-V878 HydrophobicContact CG2-CG2 4.01Å; K874-V878 WeakPolarHBondContact O-CG2 3.32Å; K874-V878 PolarHBondContact O-N 2.99Å; L875-V878 PolarHBondContact O-N 3.19Å; V878-K880 VanDerWaalsContact C-N 3.33Å; V878-K880 PolarHBondContact O-N 2.86Å; V878-Q881 PolarHBondContact O-N 2.85Å; V878-C882 PolarHBondContact O-N 2.86Å; V878-F897 HydrophobicContact CG1-CB 3.57Å; V878-F897 HydrophobicContact CG1-CD2 4.45Å; V878-F897 HydrophobicContact CG1-CG 4.06Å
879I87.5Confident84Confident24 Ų2464.4 Ų64.412%0.12332%0.323CS..Hα-helixtrans-60-44.7177.3-63.7163000110.6L789 L875 Q881 C882 H883 F897L789-I879 HydrophobicContact CB-CD1 4.18Å; L789-I879 HydrophobicContact CD2-CD1 4.17Å; L875-I879 HydrophobicContact CD1-CD1 4.28Å; L875-I879 HydrophobicContact CG-CD1 4.09Å; L875-I879 WeakPolarHBondContact O-CG1 3.42Å; L875-I879 PolarHBondContact O-N 3.35Å; L875-I879 VanDerWaalsContact O-N 3.07Å; I879-Q881 PolarHBondContact O-N 3.26Å; I879-C882 PolarHBondContact O-N 3.43Å; I879-H883 WeakPolarHBondContact O-CB 3.24Å; I879-H883 PolarHBondContact O-N 2.86Å; I879-F897 HydrophobicContact CG1-CZ 4.49Å
880K86.7Confident82.2Confident119 Ų11963.2 Ų63.252%0.51733%0.334SS..Hα-helixtrans-59.6-46.7176.6-168.4176.9-164.9-72.20112K876 V878 H883 E884K876-K880 VanDerWaalsContact O-CB 3.31Å; K876-K880 WeakPolarHBondContact O-CB 3.34Å; K876-K880 PolarHBondContact O-N 2.86Å; V878-K880 VanDerWaalsContact C-N 3.33Å; V878-K880 PolarHBondContact O-N 2.86Å; K880-H883 PolarHBondContact O-N 2.83Å; K880-E884 IonicContact NZ-OE1 2.75Å; K880-E884 PolarHBondContact NZ-OE1 2.84Å; K880-E884 WeakPolarHBondContact O-CB 3.32Å; K880-E884 VanDerWaalsContact O-CG 3.26Å; K880-E884 WeakPolarHBondContact O-CG 3.49Å; K880-E884 PolarHBondContact O-N 2.79Å
881Q86.2Confident80.6Confident70 Ų7064 Ų6433%0.32735%0.354SS..Hα-helixtrans-64.6-38.7178.6-76.9-179.64100113.2N877 V878 I879 E884 R885N877-Q881 WeakPolarHBondContact O-CB 3.5Å; N877-Q881 VanDerWaalsContact O-CG 3.3Å; N877-Q881 WeakPolarHBondContact O-CG 3.26Å; N877-Q881 PolarHBondContact O-N 2.89Å; V878-Q881 PolarHBondContact O-N 2.85Å; I879-Q881 PolarHBondContact O-N 3.26Å; Q881-E884 PolarHBondContact O-N 2.93Å; Q881-R885 WeakPolarHBondContact O-CG 3.4Å; Q881-R885 PolarHBondContact O-N 2.78Å
882C85.1Confident79Confident3 Ų371 Ų712%0.0239%0.387CS..Hα-helixtrans-74.7-31.7179.8-65.50000111.9L770 V878 I879 R885 N886 A895 S896L770-C882 HydrophobicContact CD1-CB 3.33Å; V878-C882 PolarHBondContact O-N 2.86Å; I879-C882 PolarHBondContact O-N 3.43Å; C882-R885 PolarHBondContact O-N 2.93Å; C882-R885 PolarHBondContact SG-NH1 3.38Å; C882-N886 PolarHBondContact O-N 3.45Å; C882-A895 HydrophobicContact CB-CB 3.79Å; C882-A895 WeakPolarHBondContact O-CB 3.3Å; C882-S896 PolarHBondContact SG-O 2.94Å; C882-S896 VanDerWaalsContact SG-O 3.33Å
883H81.5Confident77.8Confident29 Ų2973.2 Ų73.213%0.13440%0.404CS..Hα-helixtrans-66.4-42.9167.2-17863.1000112.1D773 I879 K880 R885 N886 I887D773-H883 IonicContact OD2-CE1 2.71Å; I879-H883 WeakPolarHBondContact O-CB 3.24Å; I879-H883 PolarHBondContact O-N 2.86Å; K880-H883 PolarHBondContact O-N 2.83Å; H883-R885 VanDerWaalsContact C-N 3.27Å; H883-R885 PolarHBondContact O-N 2.88Å; H883-N886 PolarHBondContact O-N 3.01Å; H883-I887 WeakPolarHBondContact O-CG1 3.4Å; H883-I887 PolarHBondContact O-N 3.06Å
884E82.9Confident76.9Confident58 Ų5871.4 Ų71.427%0.27140%0.397SS..Hα-helixtrans-56.6-39171.8-76.1168.4177.900111.9K880 Q881 S888K880-E884 IonicContact NZ-OE1 2.75Å; K880-E884 PolarHBondContact NZ-OE1 2.84Å; K880-E884 WeakPolarHBondContact O-CB 3.32Å; K880-E884 VanDerWaalsContact O-CG 3.26Å; K880-E884 WeakPolarHBondContact O-CG 3.49Å; K880-E884 PolarHBondContact O-N 2.79Å; Q881-E884 PolarHBondContact O-N 2.93Å; E884-S888 WeakPolarHBondContact O-CB 3.48Å; E884-S888 PolarHBondContact O-N 3.07Å; E884-S888 PolarHBondContact O-OG 3.08Å
885R79.5Confident76.3Confident117 Ų11770 Ų7044%0.44239%0.394SS..Hα-helixtrans-66.3-49.4174-73.4175.1-167.8108.611.5112.4Q881 C882 H883 I887 S888 S889 A895Q881-R885 WeakPolarHBondContact O-CG 3.4Å; Q881-R885 PolarHBondContact O-N 2.78Å; C882-R885 PolarHBondContact O-N 2.93Å; C882-R885 PolarHBondContact SG-NH1 3.38Å; H883-R885 VanDerWaalsContact C-N 3.27Å; H883-R885 PolarHBondContact O-N 2.88Å; R885-I887 PolarHBondContact O-N 2.83Å; R885-S888 CarbonylContact O-C 3.6Å; R885-S888 PolarHBondContact O-N 3.32Å; R885-S889 PolarHBondContact O-N 3.49Å; R885-S889 PolarHBondContact O-OG 2.84Å; R885-A895 HydrophobicContact CB-CB 3.91Å
886N74.8Confident76.1Confident17 Ų1771.3 Ų71.39%0.09140%0.404CS..Hα-helixtrans-53.7-36.9177.7-84.19.8000113.1L770 P771 C882 H883 A895L770-N886 PolarHBondContact O-ND2 3.49Å; P771-N886 PolarHBondContact O-ND2 2.89Å; C882-N886 PolarHBondContact O-N 3.45Å; H883-N886 PolarHBondContact O-N 3.01Å; N886-A895 VanDerWaalsContact OD1-CB 3.26Å; N886-A895 WeakPolarHBondContact OD1-CB 3.15Å; N886-A895 PolarHBondContact OD1-N 3.49Å
887I73.8Confident76.1Confident120 Ų12064.9 Ų64.962%0.61538%0.376SS*.Hα-helixtrans-74.4-32.6176.8-63.8165.6000111.6H883 R885H883-I887 WeakPolarHBondContact O-CG1 3.4Å; H883-I887 PolarHBondContact O-N 3.06Å; R885-I887 PolarHBondContact O-N 2.83Å
888S69.4Low76.1Confident102 Ų10261.7 Ų61.771%0.71336%0.36SS*.Hα-helixtrans-88-22-174.4-52.70000114.1E884 R885E884-S888 WeakPolarHBondContact O-CB 3.48Å; E884-S888 PolarHBondContact O-N 3.07Å; E884-S888 PolarHBondContact O-OG 3.08Å; R885-S888 CarbonylContact O-C 3.6Å; R885-S888 PolarHBondContact O-N 3.32Å
889S60.7Low76.1Confident37 Ų3760.7 Ų60.726%0.25935%0.354SS..  trans-102.682.4-174.163.70000112.8R885 G891R885-S889 PolarHBondContact O-N 3.49Å; R885-S889 PolarHBondContact O-OG 2.84Å; S889-G891 PolarHBondContact O-N 2.76Å
890S48.4Very low76.3Confident127 Ų12760 Ų6089%0.88835%0.351SS*.THydrogen-bonded Turntrans-65.195.5171.657.70000111.3
891G56.1Low76.5Confident78 Ų7854.5 Ų54.580%0.80433%0.327SS*.THydrogen-bonded Turntrans105.117.417200000117.1S889S889-G891 PolarHBondContact O-N 2.76Å
892Q55.9Low76.7Confident153 Ų15352.1 Ų52.172%0.71532%0.316SS*.SBendtrans-117.2162.8167.7-69.5-170.7-2.100112.1
893S62.3Low76.7Confident96 Ų9654.2 Ų54.267%0.67132%0.323SS*.  trans-57.2148.8-171.751.40000113.8A895S893-A895 PolarHBondContact O-N 2.99Å
894P70.9Confident76.2Confident38 Ų3855 Ų5525%0.24733%0.326CS..  trans-48.4123.6175.918.6-32.7000112.1Q769 L770 L772 S896Q769-P894 HydrophobicContact CB-CB 4.06Å; Q769-P894 HydrophobicContact CB-CG 4.14Å; Q769-P894 HydrophobicContact CG-CB 4.32Å; Q769-P894 HydrophobicContact CG-CG 4.08Å; L770-P894 VanDerWaalsContact O-CB 3.31Å; L770-P894 WeakPolarHBondContact O-CB 3.45Å; L772-P894 HydrophobicContact CD1-CB 3.5Å; L772-P894 HydrophobicContact CD1-CG 4.24Å; P894-S896 PolarHBondContact O-N 3.3Å; P894-S896 VanDerWaalsContact O-N 3.09Å
895A80.2Confident75Confident16 Ų1658.5 Ų58.513%0.13234%0.34CS..  trans-61.7113.5179.600000109.8L770 C882 R885 N886 S893L770-A895 PolarHBondContact N-O 2.92Å; C882-A895 HydrophobicContact CB-CB 3.79Å; C882-A895 WeakPolarHBondContact O-CB 3.3Å; R885-A895 HydrophobicContact CB-CB 3.91Å; N886-A895 VanDerWaalsContact OD1-CB 3.26Å; N886-A895 WeakPolarHBondContact OD1-CB 3.15Å; N886-A895 PolarHBondContact OD1-N 3.49Å; S893-A895 PolarHBondContact O-N 2.99Å
896S84.6Confident73.5Confident41 Ų4157 Ų5729%0.28734%0.341SS..EExtended strand (participates in β ladder)trans-92.9169.2179.365.20000112.8E767 Y768 C882 P894E767-S896 WeakPolarHBondContact OE1-CB 3.32Å; E767-S896 PolarHBondContact OE1-OG 2.68Å; Y768-S896 CarbonylContact O-C 3.52Å; Y768-S896 WeakPolarHBondContact O-CA 3.24Å; Y768-S896 WeakPolarHBondContact O-CB 3.46Å; C882-S896 PolarHBondContact SG-O 2.94Å; C882-S896 VanDerWaalsContact SG-O 3.33Å; P894-S896 PolarHBondContact O-N 3.3Å; P894-S896 VanDerWaalsContact O-N 3.09Å
897F89.9Confident71.9Confident2 Ų262.7 Ų62.71%0.00937%0.367CS..EExtended strand (participates in β ladder)trans-146.9153.6167.464.9-86.1000109.3E767 Y768 L770 L789 N859 V878 I879 L899E767-F897 WeakPolarHBondContact CA-O 3.48Å; Y768-F897 HydrophobicContact CD2-CD2 4.37Å; Y768-F897 AromaticContact CD2-CE2 3.76Å; Y768-F897 HydrophobicContact CD2-CE2 3.76Å; Y768-F897 HydrophobicContact CD2-CZ 4.07Å; Y768-F897 HydrophobicContact CG-CE2 4.17Å; Y768-F897 AromaticContact CG-CZ 4Å; Y768-F897 HydrophobicContact CG-CZ 4Å; Y768-F897 PolarHBondContact N-O 3Å; Y768-F897 PolarHBondContact O-N 3.38Å; L770-F897 HydrophobicContact CD1-CD1 4.06Å; L770-F897 HydrophobicContact CD1-CE1 4.09Å; L770-F897 HydrophobicContact CD2-CE1 4.31Å; L770-F897 HydrophobicContact CG-CD1 4.37Å; L770-F897 HydrophobicContact CG-CE1 4.02Å; L789-F897 HydrophobicContact CD1-CE2 3.95Å; L789-F897 HydrophobicContact CD1-CZ 3.51Å; N859-F897 VanDerWaalsContact OD1-CA 3.23Å; N859-F897 WeakPolarHBondContact OD1-CA 3.25Å; N859-F897 VanDerWaalsContact OD1-CB 3.22Å; N859-F897 WeakPolarHBondContact OD1-CB 3.44Å; V878-F897 HydrophobicContact CG1-CB 3.57Å; V878-F897 HydrophobicContact CG1-CD2 4.45Å; V878-F897 HydrophobicContact CG1-CG 4.06Å; I879-F897 HydrophobicContact CG1-CZ 4.49Å; F897-L899 HydrophobicContact CD2-CD2 4.26Å; F897-L899 HydrophobicContact CD2-CG 4.26Å; F897-L899 HydrophobicContact CE2-CD1 4.2Å; F897-L899 HydrophobicContact CE2-CD2 4.24Å; F897-L899 HydrophobicContact CE2-CG 4.01Å
898T90.4Very high70.2Confident26 Ų2660.4 Ų60.416%0.1636%0.362CS..EExtended strand (participates in β ladder)trans-107.8142.7179.569.50000111.8T765 F766 E767 I858 N859 D860T765-T898 HydrophobicContact CG2-CG2 4.39Å; F766-T898 CarbonylContact O-C 3.58Å; F766-T898 VanDerWaalsContact O-CA 3.31Å; F766-T898 WeakPolarHBondContact O-CA 3.36Å; E767-T898 HydrophobicContact CB-CG2 4.29Å; E767-T898 HydrophobicContact CG-CG2 4.39Å; I858-T898 WeakPolarHBondContact CA-O 3.18Å; N859-T898 VanDerWaalsContact CA-OG1 3.29Å; N859-T898 WeakPolarHBondContact CA-OG1 3.46Å; N859-T898 PolarHBondContact N-O 3.23Å; N859-T898 PolarHBondContact N-OG1 3.42Å; N859-T898 PolarHBondContact OD1-N 2.91Å; D860-T898 PolarHBondContact OD2-OG1 3.29Å
899L91.1Very high68.9Low1 Ų159.7 Ų59.71%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-119.9121.4167.1-58178.9000109.2T765 F766 Y768 I791 L855 I858 L875 F897T765-L899 WeakPolarHBondContact CA-O 3.49Å; F766-L899 PolarHBondContact N-O 2.86Å; F766-L899 PolarHBondContact O-N 3.23Å; Y768-L899 HydrophobicContact CD2-CD1 4.26Å; Y768-L899 HydrophobicContact CD2-CG 4.22Å; Y768-L899 HydrophobicContact CE2-CB 4.06Å; Y768-L899 HydrophobicContact CE2-CD1 3.75Å; Y768-L899 HydrophobicContact CE2-CG 3.89Å; I791-L899 HydrophobicContact CD1-CD1 3.98Å; L855-L899 HydrophobicContact CD1-CB 4.27Å; L855-L899 HydrophobicContact CD1-CD2 4.25Å; I858-L899 HydrophobicContact CB-CD2 4.42Å; I858-L899 HydrophobicContact CG1-CD2 4.06Å; I858-L899 HydrophobicContact CG2-CD2 4.07Å; L875-L899 HydrophobicContact CD1-CD2 3.75Å; F897-L899 HydrophobicContact CD2-CD2 4.26Å; F897-L899 HydrophobicContact CD2-CG 4.26Å; F897-L899 HydrophobicContact CE2-CD1 4.2Å; F897-L899 HydrophobicContact CE2-CD2 4.24Å; F897-L899 HydrophobicContact CE2-CG 4.01Å
900T92Very high67.6Low11 Ų1167.9 Ų67.97%0.06738%0.375CS..EExtended strand (participates in β ladder)trans-101.5122.2174.9-61.10000109.3T763 C764 T765 V856 A857 D860T763-T900 HydrophobicContact CG2-CG2 3.61Å; C764-T900 CarbonylContact O-C 3.56Å; C764-T900 WeakPolarHBondContact O-CA 3.39Å; T765-T900 VanDerWaalsContact CG2-OG1 3.31Å; T765-T900 WeakPolarHBondContact CG2-OG1 3.43Å; T765-T900 WeakPolarHBondContact OG1-CG2 3.43Å; T765-T900 PolarHBondContact OG1-OG1 2.89Å; V856-T900 WeakPolarHBondContact CA-O 3.43Å; V856-T900 PolarHBondContact N-O 2.94Å; A857-T900 PolarHBondContact N-O 2.87Å; A857-T900 PolarHBondContact O-N 2.82Å; D860-T900 PolarHBondContact OD1-OG1 3.06Å
901V91.3Very high66.7Low2 Ų272.1 Ų72.11%0.01237%0.371CS..EExtended strand (participates in β ladder)trans-124.3156.3-176.5-55.20000112.7T763 C764 F766 V849 D853 R854 L855T763-V901 CarbonylContact C-O 3.44Å; T763-V901 WeakPolarHBondContact CA-O 3.34Å; C764-V901 HydrophobicContact CB-CG2 4.26Å; C764-V901 PolarHBondContact N-O 2.88Å; C764-V901 PolarHBondContact O-N 2.88Å; F766-V901 HydrophobicContact CD2-CG2 4.21Å; F766-V901 HydrophobicContact CE2-CG2 3.69Å; V849-V901 HydrophobicContact CG1-CG1 3.98Å; V849-V901 HydrophobicContact CG1-CG2 4.24Å; D853-V901 HydrophobicContact CB-CB 4.1Å; D853-V901 HydrophobicContact CB-CG2 4.06Å; R854-V901 CarbonylContact O-C 3.3Å; R854-V901 WeakPolarHBondContact O-CA 3.49Å; R854-V901 VanDerWaalsContact O-CB 3.31Å; R854-V901 WeakPolarHBondContact O-CB 3.33Å; L855-V901 HydrophobicContact CD1-CG1 4.18Å
902H89.9Confident65.4Low20 Ų2073.3 Ų73.39%0.09337%0.368CS..EExtended strand (participates in β ladder)trans-109.6111.5172.5-81.2-163.9000110.3F761 M762 T763 R854 V856F761-H902 HydrophobicContact CB-CB 3.84Å; F761-H902 HydrophobicContact CD2-CB 4.24Å; F761-H902 AromaticContact CD2-CE1 3.5Å; F761-H902 AromaticContact CD2-CG 3.62Å; F761-H902 AromaticContact CD2-ND1 3.15Å; F761-H902 WeakPolarHBondContact CD2-ND1 3.16Å; F761-H902 AromaticContact CE2-CE1 3.28Å; F761-H902 WeakPolarHBondContact CE2-CE1 3.5Å; F761-H902 AromaticContact CE2-ND1 3.29Å; F761-H902 VanDerWaalsContact CE2-ND1 3.29Å; F761-H902 WeakPolarHBondContact CE2-ND1 3.15Å; F761-H902 HydrophobicContact CG-CB 4.07Å; F761-H902 AromaticContact CG-CG 3.93Å; F761-H902 AromaticContact CG-ND1 3.58Å; F761-H902 AromaticContact CZ-ND1 3.86Å; M762-H902 WeakPolarHBondContact O-CA 3.26Å; T763-H902 PolarHBondContact OG1-CD2 3.23Å; T763-H902 VanDerWaalsContact OG1-CD2 3.24Å; T763-H902 PolarHBondContact OG1-NE2 3.2Å; R854-H902 HydrophobicContact CB-CB 4.28Å; R854-H902 PolarHBondContact N-O 3.32Å; R854-H902 PolarHBondContact O-N 2.74Å; V856-H902 HydrophobicContact CG2-CB 3.88Å
903R84.7Confident64.3Low47 Ų4770.2 Ų70.218%0.17736%0.363CS..EExtended strand (participates in β ladder)trans-99.2114.8-179.4179.2168.9-63.1161.36.7111.3F761 M762 T848 D853 K905F761-R903 CarbonylContact C-O 3.57Å; F761-R903 WeakPolarHBondContact CA-O 3.43Å; M762-R903 PolarHBondContact N-O 2.95Å; M762-R903 PolarHBondContact O-N 2.86Å; T848-R903 PolarHBondContact O-NH2 2.94Å; D853-R903 WeakPolarHBondContact OD1-CA 3.42Å; D853-R903 WeakPolarHBondContact OD1-CB 3.34Å; D853-R903 WeakPolarHBondContact OD1-CG 3.4Å; D853-R903 IonicContact OD1-CZ 3.41Å; D853-R903 IonicContact OD1-NE 3.86Å; D853-R903 PolarHBondContact OD1-NE 2.87Å; D853-R903 IonicContact OD1-NH2 3.44Å; D853-R903 IonicContact OD2-CZ 3.3Å; D853-R903 IonicContact OD2-NE 2.76Å; D853-R903 PolarHBondContact OD2-NE 2.72Å; D853-R903 IonicContact OD2-NH2 3.23Å; D853-R903 PolarHBondContact OD2-NH2 2.91Å; R903-K905 PolarHBondContact O-N 2.8Å
904Y71.4Confident62.7Low46 Ų4672.3 Ų72.318%0.1837%0.371CS..EExtended strand (participates in β ladder)trans-64.2133.8177.5-80.9-97.3000112P760 I799 Y831 N906P760-Y904 HydrophobicContact CB-CD1 4.48Å; P760-Y904 HydrophobicContact CG-CE1 4.47Å; P760-Y904 WeakPolarHBondContact O-CA 3.14Å; I799-Y904 HydrophobicContact CD1-CE2 3.63Å; I799-Y904 WeakPolarHBondContact CD1-OH 3.41Å; Y831-Y904 HydrophobicContact CE1-CE2 4.46Å; Y904-N906 PolarHBondContact O-N 2.98Å
905K57.9Low60.7Low131 Ų13173.4 Ų73.457%0.5739%0.389SS*.  trans-77.677.6-179.8-71-175.5174.9-179.70111.7P760 M762 R903P760-K905 PolarHBondContact O-N 3.06Å; M762-K905 HydrophobicContact CG-CD 4.18Å; M762-K905 HydrophobicContact CG-CG 3.93Å; M762-K905 HydrophobicContact SD-CG 4.47Å; R903-K905 PolarHBondContact O-N 2.8Å
906N48.5Very low58.3Low86 Ų8680.6 Ų80.646%0.4643%0.426SS..  trans-68.7142.8167.3-74.8-11.4000110.7Y904 S908Y904-N906 PolarHBondContact O-N 2.98Å; N906-S908 PolarHBondContact O-N 3.12Å
907Q39.4Very low55.7Low136 Ų13685.2 Ų85.264%0.63645%0.453SS*.G310 helixtrans-73.9-3.8-176.5-67.316831.900113.4D909 R910Q907-D909 VanDerWaalsContact C-N 3.35Å; Q907-D909 PolarHBondContact O-N 3.19Å; Q907-R910 PolarHBondContact O-N 2.86Å
908S39.8Very low53Low73 Ų7393.5 Ų93.551%0.5150%0.496SS..G310 helixtrans-60.9-37.5174.7490000113.3N906 R910 R911N906-S908 PolarHBondContact O-N 3.12Å; S908-R910 PolarHBondContact O-N 2.86Å; S908-R911 PolarHBondContact O-N 2.86Å
909D41.2Very low50.2Low87 Ų87101.4 Ų101.447%0.46553%0.528SS..G310 helixtrans-70.34.7-176.9-71.920.2000112.4K850 Q907K850-D909 IonicContact NZ-OD1 2.91Å; K850-D909 IonicContact NZ-OD2 3.83Å; K850-D909 PolarHBondContact NZ-OD2 2.59Å; Q907-D909 VanDerWaalsContact C-N 3.35Å; Q907-D909 PolarHBondContact O-N 3.19Å
910R33Very low47.3Very low208 Ų208107.3 Ų107.379%0.78557%0.567SS**G310 helixtrans-92.81.3166-81.7-171167.3-166-5114.9Q907 S908Q907-R910 PolarHBondContact O-N 2.86Å; S908-R910 PolarHBondContact O-N 2.86Å
911R29.8Very low44.3Very low216 Ų216112.3 Ų112.382%0.81560%0.602SS**SBendtrans-112.17.8177.1-76.7-168.6172.2-164-2.6115.1S908S908-R911 PolarHBondContact O-N 2.86Å
912S30Very low41.5Very low104 Ų104117.8 Ų117.873%0.72764%0.64SS**SBendtrans-118.423.9171.966.50000113
913S30.9Very low38.7Very low88 Ų88121.1 Ų121.162%0.61567%0.671SS**  trans-147.246177.773.40000111.5
914V29.2Very low36.1Very low139 Ų139127.9 Ų127.984%0.84270%0.704SS**  trans-13077.1169.1-174.20000107.4
915G29.9Very low34.9Very low61 Ų61131 Ų13163%0.62973%0.73SS**SBendtrans-176.9144.4-177.100000105.8
916D29Very low33.9Very low168 Ų168130 Ų13090%0.89874%0.737SS**SBendtrans58.953.7177.4-54.1-24.4000117.5
917T30.6Very low33.1Very low138 Ų138136.6 Ų136.685%0.84776%0.755SS**  trans-137.167.1146.2-43.60000111.7K919T917-K919 PolarHBondContact O-N 3.3Å
918L32.5Very low32.8Very low176 Ų176136.4 Ų136.492%0.92175%0.754SS**  trans-83.3103.8160.3-81.6177.3000109.4
919K31.3Very low32.5Very low192 Ų192136.9 Ų136.984%0.83575%0.754SS**  trans-157.8101.1165.2-148.4173.4-170.8177.90113.8T917T917-K919 PolarHBondContact O-N 3.3Å
920P32Very low32Very low125 Ų125138.5 Ų138.581%0.81276%0.757SS**  trans-91.8162.3152.835.1-29.4000110.7
921S27.1Very low32Very low115 Ų115134 Ų13480%0.80475%0.753SS**  trans-139.8140.1-175.758.50000112.3
922S32.6Very low32.1Very low118 Ų118129.4 Ų129.483%0.82575%0.749SS**  trans-169.714015753.10000113.3
923A32.2Very low32.1Very low89 Ų89134.5 Ų134.574%0.73675%0.752SS**  trans31.8121.7153.600000120.3
924H29.2Very low31.9Very low189 Ų189135.8 Ų135.888%0.87575%0.752SS**  91.414755.6-79.9-48.5000115.3
925P46.5Very low31.9Very low111 Ų111138.7 Ų138.772%0.72176%0.757SS**  trans-109.3-171-15443.3-36.3000114.5
926P37.3Very low32.1Very low110 Ų110139.9 Ų139.971%0.71476%0.761SS**  -150.8157.5116.637.9-21.8000118.7
927R31.3Very low32.3Very low225 Ų225137.2 Ų137.285%0.84975%0.75SS**  trans71.9119.7153.3-71.9161.5-178.2-165.6-1118.4
928H33.4Very low32.3Very low133 Ų133136.1 Ų136.162%0.61674%0.736SS**  89.8139.554.6-79.2-49.1000112.5
929T32.6Very low32.2Very low83 Ų83135.1 Ų135.151%0.50972%0.724SS.*  cis-150.4154.727.459.90000115.5Y1463T929-Y1463 HydrophobicContact CG2-CD1 4.41Å; T929-Y1463 HydrophobicContact CG2-CE1 3.5Å; T929-Y1463 VanDerWaalsContact CG2-CE1 3.5Å
930K31Very low32.2Very low121 Ų121129.8 Ų129.853%0.52672%0.723SS.*  trans66.7151.8147-71.8166.1171160.90118.3Y1463K930-Y1463 HydrophobicContact CD-CE1 4Å; K930-Y1463 HydrophobicContact CG-CE1 4.16Å; K930-Y1463 PolarHBondContact NZ-OH 3.11Å
931T32.8Very low32.3Very low112 Ų112131.2 Ų131.269%0.68772%0.719SS**  cis-155.3145.23-5.60000113.7
932T32Very low33.1Very low121 Ų121131.5 Ų131.574%0.74272%0.718SS**  trans50128.4146.245.70000125.7
933R30Very low33.2Very low210 Ų210129.2 Ų129.279%0.79271%0.713SS**  trans85.6118.7130.4-71.7-168.9104.9127.815.7123.2
934D27.7Very low33.4Very low115 Ų115133.3 Ų133.362%0.61572%0.716SS**  63.5149.6117.6-50.4-5.8000123.4
935E29.7Very low33.5Very low201 Ų201128.5 Ų128.594%0.93970%0.704SS**  trans72.2163.2166.7-58.8-144.7118.900120
936A32.6Very low32.8Very low86 Ų86132 Ų13271%0.71171%0.708SS**  trans-125.5-164179.900000108.8
937V34.5Very low32.5Very low112 Ų112133.2 Ų133.268%0.67971%0.708SS**  trans87.3112.2168.7-1720000116
938E30.1Very low32.5Very low115 Ų115129.6 Ų129.654%0.53771%0.705SS.*  trans68160153.7-69.2170.8-166.500117.3K1440E938-K1440 IonicContact OE1-NZ 3.16Å; E938-K1440 PolarHBondContact OE1-NZ 3.37Å
939K29.4Very low32.2Very low155 Ų155128.4 Ų128.467%0.67471%0.712SS**  cis-148.5151.5-2.1-130.4153.3-169.5154.80110.5
940G31.9Very low32.4Very low80 Ų80129.5 Ų129.583%0.82572%0.72SS**  trans-176.354.6-177.100000114.4
941H35.2Very low32.3Very low155 Ų155129.8 Ų129.872%0.71873%0.732SS**  trans-78.8175.2-180-72.4-54.2000113.3
942P43.2Very low32.1Very low121 Ų121131.6 Ų131.679%0.78674%0.737SS**  cis-135.5-174.1-3334-15.1000113.3
943G33.8Very low31.8Very low70 Ų70129.6 Ų129.672%0.72273%0.728SS**  trans-165.968.5174.400000117.4
944H36.8Very low31.8Very low174 Ų174127.7 Ų127.781%0.80673%0.728SS**  trans4577.9154.8-63.2-77.3000122.2
945S31.5Very low31.7Very low88 Ų88126.6 Ų126.662%0.61572%0.722SS**  35.6144.6110.272.40000123.8
946K32.3Very low31.7Very low186 Ų186121.6 Ų121.681%0.80971%0.709SS**  trans78.6142145-78175.3-179.8-179.30117.7
947L31.2Very low31.4Very low134 Ų134122.9 Ų122.970%0.70271%0.712SS**  cis-144.9145.84.4-94.6135.4000112.9
948N31Very low31.1Very low150 Ų150122.3 Ų122.380%0.80271%0.713SS**  trans61151.4142.6-64.14.6000124.5
949S27.5Very low30.9Very low107 Ų107125 Ų12575%0.74873%0.73SS**  trans-114.4-163.2179610000108.9
950P37.3Very low30.6Very low107 Ų107122.3 Ų122.370%0.69573%0.731SS**  cis-136.4179.6-1.542.6-24.7000116.1
951V28.6Very low30.4Very low127 Ų127127.8 Ų127.877%0.7773%0.732SS**  trans49.1117.4154.6173.40000116.7
952D28Very low29.9Very low149 Ų149130.2 Ų130.280%0.79774%0.741SS**  -156.4-170.551.8-142.4-32.1000114.2
953S25.8Very low29.2Very low79 Ų79132.6 Ų132.655%0.55275%0.746SS**  trans-37.1141.1-178.364.80000119.2
954H30.4Very low28.8Very low171 Ų171133.6 Ų133.679%0.79274%0.742SS**  -17381.3126.1-97.8-58.7000115.9S956H954-S956 PolarHBondContact O-N 3.12Å
955D25.5Very low28.5Very low91 Ų91131.1 Ų131.149%0.48773%0.734SS.*  trans-5.3100.3143.5-171.64.6000118.7R20 K21R20-D955 IonicContact CZ-OD1 3.5Å; R20-D955 PolarHBondContact NH1-O 3.33Å; R20-D955 IonicContact NH1-OD1 3.41Å; R20-D955 PolarHBondContact NH1-OD1 2.91Å; R20-D955 IonicContact NH1-OD2 3.28Å; R20-D955 PolarHBondContact NH1-OD2 3.19Å; R20-D955 IonicContact NH2-OD1 2.67Å; R20-D955 PolarHBondContact NH2-OD1 3.13Å; K21-D955 WeakPolarHBondContact CE-OD2 3.43Å; K21-D955 IonicContact NZ-OD2 3.8Å; K21-D955 PolarHBondContact NZ-OD2 3.39Å
956S29.4Very low28.3Very low96 Ų96132.1 Ų132.167%0.67173%0.733SS**  trans-151.231.617861.10000118.6H954 S958H954-S956 PolarHBondContact O-N 3.12Å; S956-S958 PolarHBondContact O-N 3.06Å
957C27.1Very low28.1Very low113 Ų113133.8 Ų133.876%0.76473%0.734SS**  trans-64.2124.7166.4-75.30000111.9R20R20-C957 PolarHBondContact NH2-O 2.87Å
958S27.2Very low28Very low100 Ų100138.7 Ų138.770%0.69974%0.744SS**  trans-104.9120.3173.650.70000110.9S956S956-S958 PolarHBondContact O-N 3.06Å
959L25.9Very low28Very low171 Ų171142.2 Ų142.290%0.89575%0.746SS**  trans-113.388.8166.5-77.5175.7000108.9
960S24.3Very low28Very low99 Ų99143.9 Ų143.969%0.69275%0.745SS**  trans-113.982.9179.356.40000111
961F25.9Very low27.7Very low196 Ų196143.9 Ų143.986%0.8674%0.739SS**  trans-120.897.1162.2-77.1-73.7000109.6
962K24.9Very low27.9Very low206 Ų206146.4 Ų146.490%0.89674%0.742SS**  trans-84.4133.6153.1-81.2-169.9175.4-174.80107.8
963L28.5Very low27.9Very low171 Ų171149 Ų14990%0.89574%0.741SS**  trans-149.3110151-114164.8000107.6
964S25.8Very low27.9Very low91 Ų91149.4 Ų149.464%0.63674%0.743SS**  trans-99.3170.4164.4690000109.3
965D29.7Very low28Very low121 Ų121148.5 Ų148.565%0.64774%0.744SS**  trans71.1100.6158.6-66-66.5000120.6
966N27.5Very low28.4Very low110 Ų110149.4 Ų149.459%0.58876%0.757SS**  55.9109.8111.7-77-67.3000119.9
967R29.7Very low28.7Very low220 Ų220152.5 Ų152.583%0.8377%0.765SS**  69.2119.8129.4-57.1172.8-169.1-149.4-2.7119.2
968R27.5Very low28.8Very low238 Ų238152.3 Ų152.390%0.89877%0.765SS**  trans19.9121.8133.5-62.7-178.3176.8-163-0.8117.9
969R31.6Very low29Very low224 Ų224151.2 Ų151.285%0.84576%0.757SS**  -172136.1112.6-98.2162174.6169.3-2.2108.9
970L28.5Very low29.6Very low141 Ų141150.4 Ų150.474%0.73875%0.754SS**  57.8127.479.2-63.1-171.8000111.8
971L29.4Very low30.1Very low107 Ų107153.9 Ų153.956%0.5676%0.763SS**  cis-134.2171.72.3-84.7128.5000108.6R973L971-R973 HydrophobicContact CD2-CB 3.97Å; L971-R973 HydrophobicContact CD2-CG 4.16Å
972H32.7Very low30.4Very low180 Ų180147.7 Ų147.783%0.83375%0.754SS**  -152.9142.953.5-79.5-98.7000108.1
973R28.3Very low30.6Very low205 Ų205142.3 Ų142.377%0.77474%0.743SS**  cis63.7116.729.9-105.1-165.4179.7-175.7-3.6113.7L971L971-R973 HydrophobicContact CD2-CB 3.97Å; L971-R973 HydrophobicContact CD2-CG 4.16Å
974S27Very low30.6Very low87 Ų87142.7 Ų142.761%0.60874%0.739SS**  cis-137.7-161.815.9-60.80000109.1
975D32.3Very low30.8Very low152 Ų152145.5 Ų145.581%0.81375%0.746SS**  cis-154.3156.632.9-82.5-62.9000115.1
976S32.7Very low30.8Very low109 Ų109146.5 Ų146.576%0.76275%0.751SS**SBendtrans-138.1101.8146.8630000109.2
977I36.8Very low30.6Very low161 Ų161148.2 Ų148.283%0.82676%0.755SS**  trans85.5122161.2-52.6162.4000118.5
978S29.2Very low30.5Very low109 Ų109144.5 Ų144.576%0.76275%0.746SS**  trans-145.6112.2144.7-137.40000104.2
979S31.5Very low30.5Very low77 Ų77138.7 Ų138.754%0.53873%0.733SS.*  62.4140.184.473.40000115.3
980D37.5Very low30.2Very low154 Ų154136.9 Ų136.982%0.82473%0.728SS**  cis-172.7153.1-16.1-95.6-36.1000109.7
981I34.4Very low30.3Very low172 Ų172138.6 Ų138.688%0.88273%0.732SS**  trans-155.4143.5166.2-49.5179.5000106.9
982G33.7Very low30.4Very low66 Ų66136.5 Ų136.568%0.6874%0.735SS**  cis130.1138.7-0.100000111.8
983S29.2Very low30.1Very low94 Ų94135.7 Ų135.766%0.65774%0.737SS**  cis-172.6144-8.849.80000111.6
984H28.6Very low30.1Very low178 Ų178130.3 Ų130.382%0.82473%0.731SS**  trans70.3174.5173.1-40.7-67.2000115.3
985I29.8Very low30.2Very low150 Ų150134.3 Ų134.377%0.76974%0.74SS**  cis-154.2157.99.2-156.9168.2000113.1
986L28Very low30Very low143 Ų143131 Ų13175%0.74973%0.729SS**  trans60.9141.7167.8-83.2178.6000121.4
987H25Very low29.8Very low145 Ų145133.8 Ų133.867%0.67173%0.729SS**  trans59.8157.8157.3-87.7-78.9000121.2
988H26.3Very low29.6Very low142 Ų142133.7 Ų133.766%0.65773%0.73SS**  trans31.1134.1146.3-63-51.2000120.1
989D27.2Very low29.5Very low116 Ų116134 Ų13462%0.6273%0.732SS**  cis-164.2169.89.4-110.8-17000114.5
990Y27.2Very low29.6Very low186 Ų186135 Ų13573%0.72974%0.738SS**  trans7.6148.3146.4-73.8-120000121.8
991H30.2Very low29.6Very low178 Ų178135.9 Ų135.982%0.82474%0.738SS**  trans65132.3157.3-60-55.2000117.6
992G31.3Very low29.4Very low62 Ų62138.9 Ų138.964%0.63974%0.738SS**  cis-161-179.8-4.800000108.7
993D26.7Very low29.4Very low163 Ų163140.2 Ų140.287%0.87274%0.737SS**  cis53.6148.127.3-102.1-26.1000115.5
994S27.7Very low29.6Very low92 Ų92142.6 Ų142.664%0.64374%0.742SS**  trans64.4129.3-178.631.60000118.7
995H29.7Very low29.9Very low171 Ų171141.1 Ų141.179%0.79274%0.739SS**  trans54.5113.4142.1-58.3-56.4000120.5
996S28.1Very low30Very low83 Ų83141.2 Ų141.258%0.5874%0.736SS**  cis81.2117.248.881.20000115.7
997H28Very low30.3Very low167 Ų167142.1 Ų142.177%0.77374%0.736SS**  trans66.1127.2139.5-77.2-108.9000121.6
998L33.2Very low30.7Very low160 Ų160141.7 Ų141.784%0.83874%0.739SS**  trans59.2110.9133.2-58.1170.6000120.1
999S25.9Very low31.2Very low115 Ų115140.6 Ų140.680%0.80474%0.738SS**  trans-153.9156.3143.875.70000107.4
1000S34Very low31.5Very low97 Ų97142.3 Ų142.368%0.67874%0.742SS**  cis-148.216719.1-84.40000108.7
1001Q36.6Very low31.5Very low174 Ų174139.5 Ų139.581%0.81374%0.739SS**  cis-163.4131.99.3-130166.918.900110.8
1002R31.5Very low31.4Very low235 Ų235137.7 Ų137.789%0.88774%0.735SS**  trans155.3143.5131.2-89.3-173.9169.3-164.5-4.3114.2
1003S32.6Very low31.3Very low94 Ų94139.9 Ų139.966%0.65774%0.74SS**  trans57.9107.9157.249.70000121
1004D33.3Very low31.9Very low143 Ų143138.3 Ų138.377%0.76574%0.737SS**  86.4108.2122.3-52.1-18.6000123.6
1005I35.1Very low32.2Very low147 Ų147142.1 Ų142.175%0.75474%0.744SS**  trans87.1123.8131.7-61.4168.3000121.6
1006H32.4Very low32.3Very low152 Ų152138.8 Ų138.870%0.70474%0.74SS**  trans52.2127.6170.1-77.1-70.5000118.5
1007E33.3Very low32.1Very low163 Ų163139.7 Ų139.776%0.76275%0.746SS**  66.3138.262.3-60179.4169.800112.8
1008D34.9Very low31.9Very low136 Ų136138.2 Ų138.273%0.72774%0.743SS**  cis-152.1178.135.1-161.320.6000108.8
1009N36.3Very low31.6Very low118 Ų118138.6 Ų138.663%0.63174%0.738SS**  cis-154-148.211.8-166.9-111.4000112.6
1010H32.5Very low31.8Very low152 Ų152138.1 Ų138.170%0.70473%0.73SS**  trans-148.1-157.2-151.2-98.2-132.1000110.1
1011L27.3Very low31.5Very low127 Ų127139.9 Ų139.967%0.66573%0.732SS**  -154.3170.5-69.9-103.2-169.8000110.2
1012L28.5Very low31Very low141 Ų141141.3 Ų141.374%0.73873%0.731SS**  trans62122.7146.1-72.8163.4000124.2
1013S28.7Very low31.2Very low107 Ų107135 Ų13575%0.74872%0.721SS**  59.8-173.6119.5-55.70000123.2
1014T39.5Very low30.9Very low131 Ų131135.5 Ų135.580%0.80472%0.72SS**  trans-121.6158.2-14348.70000117
1015E35.3Very low30.6Very low172 Ų172132.1 Ų132.180%0.80471%0.708SS**  trans68.8102.3154-78.3-84.3118.800119.4
1016S30.8Very low30.2Very low100 Ų100135.5 Ų135.570%0.69971%0.711SS**  trans90.4155.5138.889.20000119
1017S24Very low30Very low102 Ų102133.9 Ų133.971%0.71371%0.708SS**  trans61.6107.7165.1-620000116.7
1018L24.2Very low29.9Very low137 Ų137132.9 Ų132.972%0.71771%0.707SS**  cis-158.7160.74.5-77.4177.9000105.7
1019K26.8Very low29.8Very low167 Ų167130.7 Ų130.773%0.72670%0.702SS**  cis-169.5173.413.1-127.1166.9-172.7166.10108.4
1020V29.2Very low30.2Very low106 Ų106131.7 Ų131.764%0.64271%0.712SS**  trans60.4117.4141.8169.20000118
1021N28.6Very low30.1Very low133 Ų133129 Ų12971%0.71171%0.708SS**  trans70.1136.9157.3-59.4-5.4000114.9P1023N1021-P1023 VanDerWaalsContact C-CD 3.44Å
1022Y25.9Very low30.6Very low204 Ų204127.3 Ų127.380%0.871%0.707SS**  cis39.86616.9-85.7-49.8000115.2T1024Y1022-T1024 WeakPolarHBondContact O-CB 3.49Å
1023P35.1Very low30.5Very low103 Ų103126.7 Ų126.767%0.66971%0.705SS**  -72.9114.6116.631.5-18.8000107.4N1021N1021-P1023 VanDerWaalsContact C-CD 3.44Å
1024T26.9Very low30.9Very low104 Ų104131.6 Ų131.664%0.63871%0.707SS**  cis45.5106.421.9-63.10000112.1Y1022Y1022-T1024 WeakPolarHBondContact O-CB 3.49Å
1025S26.6Very low30.4Very low73 Ų73131.2 Ų131.251%0.5170%0.7SS.*  trans62.7106.3175.7-1050000111.8
1026R27.5Very low30.3Very low217 Ų217131.2 Ų131.282%0.81970%0.698SS**  -178.715558-91.2130.2-167.9-171.84.6107.8
1027N29.1Very low30.4Very low118 Ų118132.7 Ų132.763%0.63170%0.697SS**  cis-160.5174.9-3.1-124.9-1.1000110.8
1028L30.3Very low31.2Very low142 Ų142138.1 Ų138.174%0.74370%0.701SS**  trans35.7126.1139.5-59.5169.1000119
1029S32.9Very low31.8Very low90 Ų90138.6 Ų138.663%0.62971%0.705SS**  cis-167.9141.69.742.90000115.1
1030V44.2Very low32.2Very low140 Ų140133.5 Ų133.585%0.84870%0.7SS**  trans-64.9115.5136.7174.80000105.9
1031P30.1Very low32.6Very low94 Ų94138.3 Ų138.361%0.6171%0.713SS**  -139.7143.481.138-22.8000113.4
1032S37.7Very low33.2Very low93 Ų93135.3 Ų135.365%0.6571%0.713SS**  -157.7150.855.6-57.50000109.2
1033N27.8Very low34Very low128 Ų128137.4 Ų137.468%0.68472%0.72SS**  cis62.945.825.9-151.810.6000115.7N1035N1033-N1035 PolarHBondContact OD1-ND2 3.17Å
1034R36.7Very low34.4Very low210 Ų210143 Ų14379%0.79273%0.727SS**  trans-124.6113.5144.2-65.4-173.5-179.9-176.9-0.1105.9
1035N27.9Very low35.4Very low123 Ų123142.8 Ų142.866%0.65873%0.73SS**  50.565.852.3-67.2-29.6000113N1033N1033-N1035 PolarHBondContact OD1-ND2 3.17Å
1036F34.7Very low36.1Very low172 Ų172146.6 Ų146.675%0.75475%0.75SS**  trans-143.2110134.4-74.7-65.4000107.3
1037L33.4Very low37.1Very low130 Ų130141.2 Ų141.268%0.68175%0.745SS**  80.3131.478.8-107.975000113.4
1038R40.9Very low37.7Very low216 Ų216143 Ų14382%0.81575%0.75SS**  trans68.1158.5153.8-68.1-177.9170.3-163.6-2.9118
1039D35.3Very low38.3Very low148 Ų148145.9 Ų145.979%0.79176%0.757SS**  cis-174.8143.3-43.7-112.7-48.4000107.1
1040G35.8Very low38.7Very low60 Ų60152 Ų15262%0.61977%0.766SS**  trans97157.8160.600000117.9
1041F38Very low38.8Very low207 Ų207153.5 Ų153.591%0.90876%0.763SS**  cis-156.1117.6-8.4-130.7-72.5000113.3
1042G39.6Very low39.2Very low70 Ų70152.4 Ų152.472%0.72277%0.769SS**  trans75.3164.6169.800000115.8
1043R43.5Very low39.6Very low248 Ų248156.8 Ų156.894%0.93678%0.779SS**  cis-139.8125.82.1-59177.5-178.6-170.2-1109.9
1044R43.9Very low40.6Very low219 Ų219154.9 Ų154.983%0.82677%0.771SS**  trans-110.9143.2160.6-76.4-171.467.8176.2-0.2109.4E1048R1044-E1048 IonicContact NH2-OE2 3.68Å
1045S48.4Very low41.1Very low101 Ų101149.2 Ų149.271%0.70676%0.757SS**  trans-69.6145.3-172.7-166.80000112.9S1047S1045-S1047 PolarHBondContact O-N 3.37Å; S1045-S1047 VanDerWaalsContact O-N 3.11Å
1046V40.2Very low42Very low153 Ų153146.5 Ų146.593%0.92775%0.752SS**THydrogen-bonded Turntrans-89.137-171.5-159.30000112.1
1047S49.2Very low42.9Very low103 Ų103140.9 Ų140.972%0.7273%0.734SS**THydrogen-bonded Turntrans-113.3-13.4179.553.10000114.1S1045S1045-S1047 PolarHBondContact O-N 3.37Å; S1045-S1047 VanDerWaalsContact O-N 3.11Å
1048E42Very low43.6Very low156 Ų156142.5 Ų142.573%0.72974%0.737SS**SBendtrans-12429.9-165.9-154.8-179.9-158.800113.1R1044R1044-E1048 IonicContact NH2-OE2 3.68Å
1049K41.5Very low44Very low203 Ų203139.3 Ų139.388%0.88373%0.727SS**SBendtrans-145.939.8176-147.2174.8-176-179.70115.2
1050R41.6Very low44.1Very low218 Ų218137.7 Ų137.782%0.82373%0.727SS**SBendtrans-141162.8159.1-67.8-169.2177.7174.1-0.1108.4
1051H46.5Very low44.4Very low172 Ų172143.1 Ų143.180%0.79673%0.733SS**  trans73.438.5-172.4-39.8105.1000115.7
1052G38.6Very low44.6Very low70 Ų70141.2 Ų141.272%0.72273%0.725SS**SBendtrans-72.8135.7139.900000108.8
1053H45.8Very low44.4Very low186 Ų186145 Ų14586%0.86172%0.724SS**SBendtrans53.970.2167.8-141.6-51.5000117.3
1054V49.3Very low43.9Very low87 Ų87137.7 Ų137.753%0.52771%0.707SS.*  trans-123.1111.4154.7-173.40000108.3Y1059V1054-Y1059 HydrophobicContact CG1-CD2 4.37Å; V1054-Y1059 HydrophobicContact CG1-CE2 3.75Å
1055D47.4Very low43.4Very low91 Ų91134.9 Ų134.949%0.48771%0.708SS.*  trans-77.4135.7173.7-17711000109.8S1057 H1058D1055-S1057 PolarHBondContact O-N 3.49Å; D1055-S1057 PolarHBondContact OD1-N 2.73Å; D1055-S1057 WeakPolarHBondContact OD2-CB 3.35Å; D1055-S1057 PolarHBondContact OD2-OG 2.87Å; D1055-H1058 PolarHBondContact O-N 3.37Å
1056A46.6Very low42.9Very low67 Ų67138 Ų13855%0.55472%0.715SS**G310 helixtrans-66.1-16.8-178.600000112.9H1058A1056-H1058 PolarHBondContact O-N 2.87Å
1057S53.4Low42.7Very low54 Ų54138.3 Ų138.338%0.37871%0.711SS.*G310 helixtrans-62.8-24.5174.367.70000114.5D1055 Q1063D1055-S1057 PolarHBondContact O-N 3.49Å; D1055-S1057 PolarHBondContact OD1-N 2.73Å; D1055-S1057 WeakPolarHBondContact OD2-CB 3.35Å; D1055-S1057 PolarHBondContact OD2-OG 2.87Å; S1057-Q1063 PolarHBondContact O-NE2 2.92Å
1058H49Very low42.3Very low163 Ų163139.6 Ų139.676%0.75572%0.717SS**G310 helixtrans-97.5-0.6-166.6-91.1-80.3000116.1D1055 A1056D1055-H1058 PolarHBondContact O-N 3.37Å; A1056-H1058 PolarHBondContact O-N 2.87Å
1059Y48.6Very low41.8Very low150 Ų150139.6 Ų139.659%0.58872%0.722SS**  trans-92.2121.6172.4-85.2-68.2000112.1V1054 F1061 F1062V1054-Y1059 HydrophobicContact CG1-CD2 4.37Å; V1054-Y1059 HydrophobicContact CG1-CE2 3.75Å; Y1059-F1061 PolarHBondContact O-N 2.85Å; Y1059-F1062 PolarHBondContact O-N 3.08Å
1060S37.8Very low41.4Very low114 Ų114138.7 Ų138.780%0.79771%0.713SS**THydrogen-bonded Turntrans-65.510.6-178.255.70000116.2
1061F41.7Very low41.1Very low173 Ų173133.8 Ų133.876%0.75970%0.696SS**THydrogen-bonded Turntrans-99.8-21.8171.7-160.6-100.6000112.8Y1059Y1059-F1061 PolarHBondContact O-N 2.85Å
1062F41.8Very low40.6Very low167 Ų167132.3 Ų132.373%0.73269%0.687SS**THydrogen-bonded Turntrans-86.1-5.1-178.5-94.9-83.8000114.6Y1059Y1059-F1062 PolarHBondContact O-N 3.08Å
1063Q35.8Very low40.1Very low150 Ų150137.1 Ų137.170%0.70169%0.692SS**THydrogen-bonded Turntrans-10216.2-177.4-64.9-177.3-200113.9S1057S1057-Q1063 PolarHBondContact O-NE2 2.92Å
1064T32.7Very low39.9Very low94 Ų94132.4 Ų132.458%0.57768%0.678SS**SBendtrans-135140.4171.557.30000111.5
1065N32.6Very low39.3Very low160 Ų160136.3 Ų136.386%0.85669%0.691SS**SBendtrans83.629.2173-50.1-31.9000119.3
1066I39.6Very low38.7Very low166 Ų166138.8 Ų138.885%0.85170%0.704SS**  trans-131.5121.6149.1-56-178.7000109.5
1067L35.6Very low38.3Very low161 Ų161141.2 Ų141.284%0.84371%0.712SS**  trans-93.2146.1167.9-73169.4000107.9
1068P40Very low37.7Very low130 Ų130144.1 Ų144.184%0.84472%0.723SS**  -145.616767.639.1-21000116.1
1069N31.4Very low37.2Very low156 Ų156143.5 Ų143.583%0.83472%0.718SS**  trans-133.7122.4-179.2-166.5-2.5000110.9
1070R34.7Very low36.3Very low184 Ų184144.2 Ų144.269%0.69473%0.727SS**  trans-164.5137.9167.9-138-165.7-94.6-159.75.5113.6
1071Y35.3Very low36.2Very low115 Ų115149.6 Ų149.645%0.45173%0.731SS.*  trans70.9137.6169.9-59.7-63.2000117.7H276H276-Y1071 PolarHBondContact CD2-OH 2.92Å; H276-Y1071 AromaticContact CE1-CE1 3.9Å; H276-Y1071 AromaticContact CE1-CZ 3.48Å; H276-Y1071 VanDerWaalsContact CE1-CZ 3.48Å; H276-Y1071 PolarHBondContact CE1-OH 2.77Å; H276-Y1071 VanDerWaalsContact CE1-OH 3.29Å; H276-Y1071 AromaticContact NE2-CE1 3.55Å; H276-Y1071 AromaticContact NE2-CZ 3.44Å; H276-Y1071 PolarHBondContact NE2-OH 2.8Å; H276-Y1071 VanDerWaalsContact NE2-OH 3.1Å
1072K34.7Very low35.9Very low140 Ų140145.8 Ų145.861%0.60973%0.726SS**  cis-169.5125.1-21.5-140.6-173.2-171.2-173.30110.2
1073M29.5Very low35.6Very low171 Ų171144.7 Ų144.784%0.84273%0.733SS**  trans47.3170134.7-56.6-54-17400121.6
1074P41.4Very low35.7Very low87 Ų87145.4 Ų145.457%0.56574%0.739SS**  cis-130-172.9-143.9-27.8000115.5
1075E35.1Very low36Very low169 Ų169146 Ų14679%0.7974%0.744SS**  trans57.2150.3147.8-73140.7-131.300121.2
1076D36.1Very low36.4Very low144 Ų144144.7 Ų144.777%0.7774%0.742SS**  cis-164.7-174.1-35.6-139.3-39.6000109.1
1077V38.8Very low36.4Very low117 Ų117142.6 Ų142.671%0.70974%0.737SS**  trans80.7119.7161.8-160.10000119.5
1078D38.9Very low36.5Very low116 Ų116146 Ų14662%0.6274%0.739SS**  trans97.1133.1143.4-96.8-28.2000126.4
1079K38.9Very low36.4Very low150 Ų150150.7 Ų150.765%0.65274%0.74SS**  trans6298144.5-73.8149.1-167.3152.80121.4
1080Q31Very low36.8Very low165 Ų165150.3 Ų150.377%0.77174%0.737SS**  43.2111.4112-63171.4-17.700117.9
1081Y35.2Very low36.9Very low226 Ų226151.1 Ų151.189%0.88675%0.746SS**  -164.3121.1114.9-105.2-66.2000113.4
1082S34.8Very low37.1Very low94 Ų94153.5 Ų153.566%0.65776%0.763SS**  trans5.7112.6160.8-166.70000120
1083T34.9Very low37.2Very low143 Ų143153.4 Ų153.488%0.87776%0.764SS**  trans-89.3106.1147.354.20000109.8
1084M39Very low37.5Very low165 Ų165153.5 Ų153.581%0.81376%0.76SS**  trans-136.7152.8165.7-98.5-161.672.700112.3
1085P39.7Very low37.1Very low106 Ų106153.2 Ų153.269%0.68877%0.765SS**  trans-88.9169.7-158.135.5-38.4000115T1087P1085-T1087 PolarHBondContact O-N 2.97Å
1086T39.3Very low37Very low134 Ų134156.6 Ų156.682%0.82277%0.77SS**SBendtrans-62.395.817448.30000113
1087T40.9Very low37Very low121 Ų121157.6 Ų157.674%0.74278%0.775SS**  trans36.5123.5130.654.80000119.6P1085P1085-T1087 PolarHBondContact O-N 2.97Å
1088R37.7Very low36.7Very low232 Ų232156.3 Ų156.388%0.87578%0.777SS**  cis96.5110.836.3178-167.8175.1-177.10.2114.4
1089R37.2Very low36.2Very low230 Ų230155.5 Ų155.587%0.86879%0.786SS**  trans165.7137.3144.4-98.5178.1161.6128-4.5108.8
1090L39.2Very low35.9Very low148 Ų148153.5 Ų153.578%0.77580%0.798SS**  cis-137.2172.7-16.6-50.592.4000106.5
1091K37.4Very low36Very low201 Ų201150.5 Ų150.587%0.87480%0.801SS**  cis79.169.11.7-145-172.5-178-175.80121.8
1092M40.5Very low35.9Very low164 Ų164144.4 Ų144.481%0.80880%0.797SS**  trans-147.4154.4145-77-68.9-161.100106.1
1093H37Very low35.8Very low138 Ų138143.9 Ų143.964%0.63980%0.798SS**  cis-143.61370.4-145.871000105.2
1094K34.8Very low35.9Very low173 Ų173143.4 Ų143.475%0.75280%0.795SS**  51.5135.975.8-177.2-167.2171-157.50113.9
1095A33.3Very low35.7Very low81 Ų81142.2 Ų142.267%0.66980%0.798SS**  cis177.9155.3-33.500000109.8
1096R33.2Very low35.2Very low240 Ų240144.2 Ų144.291%0.90680%0.803SS**  trans62.5122.6162.5-66.4177.2170167.2-5.4119.7
1097L35.2Very low34.9Very low165 Ų165143 Ų14386%0.86480%0.795SS**  -178.7148.6101.4-98.4166.1000112.8
1098A32Very low34.4Very low91 Ų91143.7 Ų143.775%0.75279%0.794SS**  trans30.3147.3138.400000122.4
1099A29Very low33.9Very low99 Ų99136.7 Ų136.782%0.81878%0.78SS**  cis-167.6-167.5-10.100000110.1
1100A33.5Very low33.7Very low108 Ų108135.6 Ų135.689%0.89378%0.778SS**  trans99.6152.9171.900000118.2
1101A32Very low33.1Very low102 Ų102133.2 Ų133.284%0.84377%0.773SS**  trans-82.7175.2-170.600000112.9
1102A33.2Very low32.7Very low97 Ų97128.6 Ų128.680%0.80277%0.767SS**  cis-141.9177.39.600000110
1103A33.8Very low32.5Very low83 Ų83128.6 Ų128.669%0.68677%0.768SS**  cis-148.317212.800000112.6
1104T35.6Very low32.2Very low133 Ų133125.4 Ų125.482%0.81677%0.772SS**  trans19.8130.9151.855.50000119.8
1105T35.8Very low32.1Very low141 Ų141121.3 Ų121.387%0.86578%0.779SS**  cis-135.4159.319.251.60000112.6
1106N28.9Very low32.1Very low148 Ų148121.2 Ų121.279%0.79179%0.786SS**  trans-152.1146.5171.7-168.723.4000109.9
1107V32.6Very low32.1Very low107 Ų107113.2 Ų113.265%0.64878%0.779SS**  trans47.3126.8174.4-129.50000118.7
1108D30.4Very low32Very low137 Ų137112.8 Ų112.873%0.73378%0.776SS**  -135.5159.4124.2-147.5-25.6000108.7Y1110D1108-Y1110 WeakPolarHBondContact OD1-CE2 3.1Å
1109S28.1Very low32.1Very low84 Ų84114.7 Ų114.759%0.58777%0.771SS**  trans-156.490.1-172-74.40000114.3
1110Y32.2Very low32.4Very low207 Ų207118.1 Ų118.181%0.81277%0.768SS**  trans-125.8115.7162.2-62.7-88.7000107.3D1108D1108-Y1110 WeakPolarHBondContact OD1-CE2 3.1Å
1111S27.4Very low32.3Very low98 Ų98119.1 Ų119.169%0.68576%0.758SS**  cis83.3123.825.8105.10000115.6
1112S28.2Very low32.3Very low104 Ų104120.8 Ų120.873%0.72775%0.753SS**  trans90.5158.5147.2-142.30000120.8
1113I35.4Very low32.1Very low165 Ų165120.7 Ų120.785%0.84675%0.747SS**  trans70.3127.5168.5-53.3142.5000116.2
1114G31Very low32.1Very low70 Ų70122.6 Ų122.672%0.72275%0.75SS**  cis150.1145.9-11.400000114.3
1115G33.2Very low31.9Very low87 Ų87121.2 Ų121.290%0.89775%0.746SS**  trans82.8146.6175.900000114.3
1116G32.5Very low31.5Very low79 Ų79119.3 Ų119.381%0.81474%0.737SS**  cis173142.3-7.800000112.6
1117G34.1Very low31.5Very low73 Ų73118.4 Ų118.475%0.75374%0.737SS**  trans83155.8171.800000117
1118L32.7Very low31.5Very low155 Ų155118.1 Ų118.181%0.81274%0.74SS**  cis-173.9154.5-31.7-118171.8000108.2
1119M33.5Very low31.6Very low131 Ų131117.1 Ų117.165%0.64574%0.743SS**  trans76.8132.8155-70.9-57.7173.600123.5
1120F36.1Very low31.9Very low171 Ų171116.3 Ų116.375%0.7575%0.748SS**  trans61.5160156.1-53.4-50.4000120.7
1121N32.2Very low32.4Very low129 Ų129112.1 Ų112.169%0.6975%0.747SS**  -176.4166.2-55.1-108.50.8000108.6
1122N31Very low32.6Very low137 Ų137114.9 Ų114.973%0.73375%0.753SS**  trans6396.2155.3-643000120.3
1123S30.1Very low32.9Very low95 Ų95119.2 Ų119.266%0.66476%0.759SS**  42144.3112.664.10000123.4
1124T32.6Very low32.6Very low123 Ų123115.6 Ų115.676%0.75575%0.753SS**  trans76.3100.1146410000121.5
1125S31.6Very low32.8Very low104 Ų104120.3 Ų120.373%0.72776%0.761SS**  97.2158.7115.376.60000121.9
1126C27.8Very low32.9Very low101 Ų101125 Ų12568%0.68276%0.759SS**  trans61.7104.7158.962.80000123.6
1127T28.9Very low33.7Very low129 Ų129126.6 Ų126.679%0.79176%0.756SS**  79133.9122.353.90000124.2
1128S31.5Very low33.6Very low102 Ų102129.9 Ų129.971%0.71376%0.755SS**  trans73.5127.5141.951.80000122.5
1129S33.5Very low33.5Very low115 Ų115128.5 Ų128.580%0.80475%0.749SS**  trans56.4123.1147.6510000121
1130G35.1Very low33.5Very low67 Ų67128.5 Ų128.569%0.69175%0.751SS**  trans-77.2-170.615100000111.7
1131P42.8Very low33.4Very low120 Ų120128.3 Ų128.378%0.77976%0.757SS**  cis-151.3-167.249.240-17.7000116.8
1132L31.6Very low33.3Very low156 Ų156129.2 Ų129.282%0.81776%0.761SS**  trans84.8135.6155.9-66.1173.7000122.7
1133K32.6Very low33.8Very low194 Ų194128.1 Ų128.184%0.84376%0.761SS**  trans-30.2150.9165.7-52.6167.7177.8178.70117.6
1134A30.9Very low33.8Very low89 Ų89131.3 Ų131.374%0.73677%0.766SS**  175.8171.594.100000114.9
1135L34.4Very low33.7Very low170 Ų170130.1 Ų130.189%0.8976%0.762SS**  trans81.3134.6160.8-54.3-178.6000121
1136H35.1Very low33.5Very low184 Ų184133 Ų13385%0.85277%0.769SS**  trans-143.3145.4166.9-112.7-74.9000106.7
1137P49.9Very low33.6Very low114 Ų114132.3 Ų132.374%0.7477%0.765SS**  trans-137.9-173.5132.725.9-6.6000110.6
1138L32Very low33.7Very low142 Ų142133.3 Ų133.374%0.74377%0.766SS**  -171.2144.7-54.9-147.381.5000105.4
1139D31.3Very low33.6Very low126 Ų126133 Ų13367%0.67476%0.764SS**  trans61.6157.9153-7625.2000120.8
1140N32Very low33.3Very low130 Ų130132.3 Ų132.370%0.69576%0.759SS**  cis-164-178-32.1-118.6-36.7000110.4
1141L33.8Very low33.1Very low167 Ų167138.5 Ų138.587%0.87476%0.763SS**  trans97128.4161.1-55.6176.1000120.8
1142L31.2Very low32.5Very low148 Ų148141.7 Ų141.778%0.77576%0.759SS**  trans-95.8172.9163.8-13178.8000108.7Q1144L1142-Q1144 HydrophobicContact CD2-CG 4.49Å
1143P40.7Very low32.6Very low114 Ų114140.9 Ų140.974%0.7476%0.756SS**  -157.8152.361.541-18.2000120.9
1144Q31.5Very low33.1Very low162 Ų162135.5 Ų135.576%0.75774%0.741SS**  trans41.4110.9132.5-56.6-173.5100124.8L1142L1142-Q1144 HydrophobicContact CD2-CG 4.49Å
1145S29.5Very low32.9Very low98 Ų98139.8 Ų139.869%0.68575%0.745SS**  87.3156.5113.580.10000124
1146L28.5Very low32.6Very low164 Ų164140.2 Ų140.286%0.85974%0.743SS**  trans72.9144168.9-59.6178.8000115.9
1147S29.2Very low32.6Very low88 Ų88137.7 Ų137.762%0.61573%0.734SS**  cis-156.1176.80.149.40000112
1148N31Very low31.6Very low149 Ų149138.7 Ų138.780%0.79773%0.734SS**  trans74.9151.7163.6-59.2-13.8000118.5
1149S28.2Very low31.7Very low96 Ų96140.1 Ų140.167%0.67174%0.74SS**  cis173.7167.8-38.851.90000108.6
1150S29.2Very low31.6Very low100 Ų100142.5 Ų142.570%0.69975%0.747SS**  trans72.8118.6164.4-79.70000116.2
1151Y29.7Very low32.2Very low198 Ų198140.5 Ų140.578%0.77674%0.741SS**  95.5144.167.4-95.4-141.6000111.1
1152R30.2Very low32.2Very low186 Ų186140.9 Ų140.970%0.70274%0.739SS**  cis-169.6161.2-11.3-147.6-170.8-169.3-123.17.4110
1153D33.3Very low32.2Very low139 Ų139140.3 Ų140.374%0.74374%0.736SS**  trans-78.1-169.7151.7-32.4-99.9000110.2
1154P44.1Very low31.7Very low81 Ų81141.8 Ų141.853%0.52674%0.737SS.*  cis-141.7-159.1-10.532.4-7000114.2
1155E26.3Very low31.6Very low179 Ų179142.6 Ų142.684%0.83674%0.741SS**  trans94.9166.3134.8-95.8157.5-133.400124.4
1156E28.6Very low32.2Very low179 Ų179142.9 Ų142.984%0.83674%0.741SS**  trans75143.5-172.1-59.6-163.6145.500117.6
1157I34.2Very low33.2Very low131 Ų131140.1 Ų140.167%0.67273%0.732SS**  cis-155.4168-9.1-116.2167000112.4
1158D29.4Very low33.6Very low136 Ų136143.1 Ų143.173%0.72774%0.739SS**  trans-34.3158.8-175.5-51.9-48.8000125
1159I33.4Very low33.7Very low172 Ų172142.9 Ų142.988%0.88274%0.737SS**  156.3147.4125.6-77.5170000113.8
1160E29.2Very low34.1Very low175 Ų175147.7 Ų147.782%0.81874%0.74SS**  trans-102.6-175.6-169.6-115-158.6145.300114.8
1161P46Very low34.3Very low89 Ų89148.4 Ų148.458%0.57874%0.736SS**  cis-140.8-174.1-23.439.4-20.1000116.9
1162Q32.5Very low34.5Very low174 Ų174149.9 Ų149.981%0.81374%0.74SS**  trans71.8145.2159.8-67.4-170.719.100120.1
1163L32.4Very low34.9Very low136 Ų136150.9 Ų150.971%0.71275%0.75SS**  cis-160.9157.1-11-155.475.9000112.8
1164D29.9Very low35.1Very low146 Ų146152.4 Ų152.478%0.78175%0.752SS**  trans70.7175.4154.2-80.9-14.3000125.7
1165Q29Very low34.6Very low178 Ų178155.2 Ų155.283%0.83276%0.763SS**  trans-169.3-167.9-141.3-125.2-172.9108.600113.5
1166P41.7Very low35.3Very low105 Ų105149.6 Ų149.668%0.68274%0.741SS**  cis-136-121.9-16.840.9-15.7000115.5
1167P50.6Low35.9Very low105 Ų105144.2 Ų144.268%0.68272%0.723SS**  trans-139.3-179.7-147.540.1-14.2000120.4
1168M36.7Very low36.1Very low151 Ų151144.7 Ų144.774%0.74472%0.72SS**  trans170.8177150.5-98.3-47103.200113.1
1169L33.7Very low36.4Very low145 Ų145146 Ų14676%0.75972%0.715SS**  cis-146.2-143.42.2-134.1176.5000113.4
1170R36.2Very low36.6Very low197 Ų197145.4 Ų145.474%0.74371%0.708SS**  trans-155.8170.3-163.6-63.2175-176.71770.3111.2
1171N32.8Very low36.8Very low115 Ų115140.8 Ų140.862%0.61570%0.7SS**  cis-168.3162.4-22.6-94.7-18.6000107.8
1172R35.2Very low36.5Very low229 Ų229142.8 Ų142.886%0.86471%0.711SS**  cis80.6135.731.2-55167.6-175.9158-3.1112.8
1173K37.5Very low36.6Very low207 Ų207140.2 Ų140.290%0.970%0.702SS**  cis-158.7-175.67.2-164.2-179.7177.2-178.20110.8
1174Q37.1Very low36.7Very low170 Ų170144.2 Ų144.279%0.79471%0.708SS**  trans-133.3153.2172.1-94.1-165.50.500114.3
1175N34.5Very low36.8Very low141 Ų141141.6 Ų141.675%0.75470%0.701SS**  trans52.7164.4151.1-71.2-0.5000123.6
1176T41.3Very low37.1Very low60 Ų60140.9 Ų140.937%0.36870%0.702SS.*  trans-161.2147-14763.20000119.8T238 P239T238-T1176 PolarHBondContact OG1-OG1 3.32Å; P239-T1176 HydrophobicContact CB-CG2 4.48Å; P239-T1176 HydrophobicContact CG-CG2 4.21Å
1177S40.5Very low36.7Very low66 Ų66145 Ų14546%0.46271%0.706SS.*  trans153.1-166.2137.6680000120R240R240-S1177 PolarHBondContact NE-O 3.48Å; R240-S1177 PolarHBondContact NH2-O 3.35Å
1178F38Very low36.1Very low141 Ų141145.1 Ų145.162%0.61871%0.706SS**  trans110.9-153.6176.1-65.1-84.6000123R240R240-F1178 WeakPolarHBondContact CD-O 3.05Å; R240-F1178 WeakPolarHBondContact CG-O 3.3Å; R240-F1178 VanDerWaalsContact CZ-C 3.45Å; R240-F1178 VanDerWaalsContact NE-C 3.25Å
1179R36.5Very low35.9Very low165 Ų165143.8 Ų143.862%0.62371%0.707SS**  trans-131.7171.7-137.3-72.3171.4165.3-154.9-1.6121.3
1180H37.3Very low35.9Very low158 Ų158141.8 Ų141.873%0.73171%0.705SS**  trans97.9153.4157.4-64.6-85.6000120.1
1181A34.3Very low35.5Very low79 Ų79138.2 Ų138.265%0.65371%0.705SS**  cis-174.8131.2-32.500000117.1
1182V39.9Very low35.5Very low131 Ų131138.6 Ų138.679%0.79471%0.712SS**  trans57.8121.8140.5-170.30000125.2
1183D34.2Very low35.2Very low119 Ų119133.3 Ų133.364%0.63671%0.705SS**  trans5.4159.8144.1-57.9-88.1000123.8
1184R34Very low34.9Very low220 Ų220128.8 Ų128.883%0.8370%0.695SS**  cis-172.5155-2.8-115174.1-160-139.2-1.3117.1
1185S32.6Very low34.6Very low91 Ų91127.2 Ų127.264%0.63670%0.697SS**  trans60.4132.5137.570.20000126.3
1186L33.9Very low34.5Very low163 Ų163124.5 Ų124.585%0.85369%0.694SS**  163.1160.2127.9-87.4166.5000109.2
1187Y34.2Very low34Very low193 Ų193128.7 Ų128.776%0.75771%0.714SS**  179.5151.2-58.2-117.9-63.6000107
1188P38.1Very low33.6Very low106 Ų106130.6 Ų130.669%0.68872%0.723SS**  -127.4139.6125.135.6-30.2000111.1
1189T33.1Very low33.3Very low124 Ų124129.5 Ų129.576%0.76173%0.728SS**  63.4136.25755.70000114.3
1190S32Very low32.9Very low103 Ų103127.7 Ų127.772%0.7274%0.736SS**  cis-146.1148.917.131.20000110.2
1191T29.4Very low32.5Very low122 Ų122126 Ų12675%0.74874%0.737SS**  63134.961.466.80000114
1192T32.2Very low32.1Very low123 Ų123128.4 Ų128.476%0.75574%0.744SS**  cis-163177.716-8.10000114.1
1193T29Very low31.5Very low118 Ų118125.6 Ų125.672%0.72473%0.734SS**  trans-34.4164.8165.853.80000118.6
1194T31.8Very low31.2Very low112 Ų112130.4 Ų130.469%0.68775%0.745SS**  cis-169.1162.625.8-14.50000112.7
1195T31.1Very low30.9Very low137 Ų137123.9 Ų123.984%0.8473%0.733SS**  trans62.3149.1157.439.50000119.3
1196A30.6Very low30.6Very low83 Ų83126.4 Ų126.469%0.68674%0.739SS**  cis-148.9-162.7-2.500000111
1197D31.9Very low30.2Very low148 Ų148122.8 Ų122.879%0.79173%0.727SS**  trans70.5151.8168.2-74.3-38.3000120.5
1198T31.7Very low30Very low107 Ų107122.2 Ų122.266%0.65673%0.729SS**  -153.2161.2-51.72.80000109.8
1199T31.9Very low29.5Very low118 Ų118123.2 Ų123.272%0.72473%0.729SS**  trans43.8112.6159.953.80000121.2
1200T28.2Very low29.3Very low126 Ų126121.9 Ų121.977%0.77372%0.721SS**  85.5149.586-42.70000114.9
1201T29.2Very low29.3Very low124 Ų124124.3 Ų124.376%0.76173%0.725SS**  trans91108.4160.2-47.40000118.2
1202T26.3Very low29.5Very low129 Ų129122.6 Ų122.679%0.79172%0.724SS**  trans-40146.8158.750.50000116
1203A26.5Very low29.6Very low72 Ų72122.4 Ų122.460%0.59573%0.728SS**  166.2169.895.800000113
1204Y27.4Very low30.3Very low219 Ų219122.2 Ų122.286%0.85973%0.728SS**  trans63.2161.7168.7-61.1-83.4000118.4
1205S28.6Very low30.3Very low83 Ų83121.6 Ų121.658%0.5873%0.728SS**  -168.9147.4-55.553.10000110.7
1206N26.5Very low30.6Very low145 Ų145120.4 Ų120.478%0.77573%0.726SS**  trans48.5125.8144.3-61.5-1.4000121.7
1207S25.2Very low30.8Very low86 Ų86121.6 Ų121.660%0.60173%0.729SS**  83.8151.8124.865.90000122
1208F29.6Very low30.9Very low181 Ų181119.1 Ų119.179%0.79473%0.729SS**  trans71.4148.4160.8-56.3-55.9000118.6
1209D27.3Very low31.4Very low127 Ų127120 Ų12068%0.67974%0.737SS**  cis-160.7171.1-38.3-139.3-16.4000111.7
1210T29.9Very low31.9Very low97 Ų97120 Ų12060%0.59574%0.739SS**  trans26.8130153.859.60000122.2
1211N31.4Very low32Very low153 Ų153121.5 Ų121.582%0.81874%0.74SS**  172.9141.498.4-90.5-55.9000116.9
1212A32.8Very low32.5Very low86 Ų86119.6 Ų119.671%0.71173%0.73SS**  trans44.3111.7151.200000124.4
1213S35.4Very low33.5Very low120 Ų120118.1 Ų118.184%0.83972%0.723SS**  43.9151.2122.7-58.60000123.2
1214P42.7Very low33.6Very low114 Ų114121.1 Ų121.174%0.7472%0.724SS**  cis-141.4172.623.841.5-22000119.2
1215S33.4Very low33.6Very low98 Ų98119.2 Ų119.269%0.68572%0.716SS**  trans55.4108.9150.158.20000124.2
1216S35.7Very low34.2Very low112 Ų112120.3 Ų120.378%0.78372%0.721SS**  91.2147126.173.50000124.5
1217S36.2Very low34.2Very low108 Ų108124.5 Ų124.576%0.75573%0.726SS**  trans68.589.8159.249.70000123.8
1218A34.4Very low34.3Very low97 Ų97124.5 Ų124.580%0.80273%0.726SS**  79.5142.8115.100000123.1
1219P40.8Very low34.1Very low125 Ų125124.5 Ų124.581%0.81273%0.728SS**  trans-144.3-153.2-14045.1-20.2000115
1220P43.2Very low34.3Very low118 Ų118124.2 Ų124.277%0.76674%0.736SS**  -141.9-154.8-95.447.3-26.3000116.3
1221I29.1Very low34.4Very low157 Ų157123.5 Ų123.581%0.80575%0.748SS**  trans-129.4176.6-176.8-61.7159.5000106.8
1222P40.9Very low34.6Very low84 Ų84120.2 Ų120.255%0.54575%0.751SS.*  cis-109.8-150.2-45.941.4-24000110.4
1223P46.9Very low34.5Very low99 Ų99127 Ų12764%0.64376%0.758SS**  trans-108.7154.7-177.239.4-31.3000116.4
1224H29.3Very low34.4Very low134 Ų134126.7 Ų126.762%0.6275%0.746SS**  trans176.6131133.9-104.6-72.6000116.5A253 S254A253-H1224 WeakPolarHBondContact O-CB 3.39Å; A253-H1224 PolarHBondContact O-CD2 3.39Å; A253-H1224 VanDerWaalsContact O-CG 3.27Å; S254-H1224 PolarHBondContact O-ND1 3.34Å
1225R26.9Very low34Very low179 Ų179128.9 Ų128.968%0.67575%0.745SS**  trans70.7-178143.7-119.9-170.3-179.3162.72118.3
1226P40.6Very low33.7Very low107 Ų107130.6 Ų130.670%0.69575%0.745SS**  -136.1176.9-111.646.2-29.3000119.5
1227R26.3Very low33.4Very low232 Ų232127.9 Ų127.988%0.87573%0.726SS**  trans110.9145.8137.1-154.1-175.6-175.6173.30.6118.2
1228S27.5Very low33.1Very low86 Ų86129.7 Ų129.760%0.60173%0.727SS**  trans71.1106.4155.128.90000121.1
1229E25.7Very low32.7Very low182 Ų182131.2 Ų131.285%0.8572%0.722SS**  82.3144.9120.1-70.2173.1-171.100123.4
1230S30.5Very low32.6Very low121 Ų121130.3 Ų130.385%0.84672%0.716SS**  trans76.7124.7155.975.20000120.9
1231G32.9Very low32Very low82 Ų82133.3 Ų133.385%0.84572%0.717SS**  trans89.3170.8140.600000119.3
1232G36.1Very low32.1Very low84 Ų84133.6 Ų133.687%0.86672%0.715SS**  trans76.769.715700000118
1233R30.1Very low31.5Very low229 Ų229137.8 Ų137.886%0.86472%0.724SS**  trans-76.1143.7161.1-78.2-171.8-172161.83.2111.4
1234D32.6Very low30.7Very low112 Ų112140 Ų14060%0.59973%0.731SS**  trans65149.6143.9-63.5-31.3000119.9
1235K34.5Very low30.9Very low161 Ų161138.6 Ų138.670%0.774%0.736SS**  cis-175.7140.9-27-112.8175.9-170.3114.30108.4
1236L28.4Very low30.8Very low134 Ų134135 Ų13570%0.70273%0.73SS**  trans44.2151.6136.6-58.4169.9000121.8
1237S28.8Very low30.3Very low55 Ų55138.4 Ų138.439%0.38573%0.734SS.*  cis-176.9163.2-15.957.20000111N1246S1237-N1246 PolarHBondContact OG-ND2 2.85Å
1238N29Very low30.4Very low145 Ų145133 Ų13378%0.77573%0.727SS**  trans54.9142.8149.8-57.5-2.2000122.2
1239N26.1Very low30.2Very low130 Ų130137.4 Ų137.470%0.69574%0.736SS**  170.2168.9128.7-99.2-73.6000110.6
1240P39.1Very low30.2Very low105 Ų105136.9 Ų136.968%0.68273%0.733SS**SBendcis-129.917215.943.2-28000117.7
1241K31.7Very low30.2Very low182 Ų182136.4 Ų136.479%0.79173%0.729SS**SBendtrans69.3111.4172.9-56-179.8-176.2178.50113.7
1242H30Very low30.3Very low162 Ų162140.1 Ų140.175%0.7573%0.73SS**SBendcis-127.3137.814.9-116-99.3000114.4
1243K29.5Very low30.2Very low173 Ų173141.3 Ų141.375%0.75272%0.722SS**  trans53.992.2159.5-69.4-177.5175.9-178.90119.5
1244N29.2Very low30.2Very low145 Ų145137.9 Ų137.978%0.77572%0.72SS**  72142.1128.1-58.69.4000120.2
1245S33.3Very low29.9Very low105 Ų105137.2 Ų137.273%0.73472%0.724SS**  cis-168141.7-20.343.70000110.1
1246N25.5Very low29.6Very low103 Ų103138.2 Ų138.255%0.55173%0.731SS**  trans-89.8167.8172.1-89.7-42.5000112S1237S1237-N1246 PolarHBondContact OG-ND2 2.85Å
1247K29.9Very low29.8Very low178 Ų178141 Ų14177%0.77474%0.738SS**  trans74.3101.3151.2-81.5174.8179.3175.60121.5
1248T28Very low29.7Very low120 Ų120143.4 Ų143.474%0.73676%0.755SS**  57139.9117.959.70000123.7
1249K24.2Very low29.8Very low178 Ų178140.8 Ų140.877%0.77475%0.753SS**  trans103.6145.3154.9-66.8-169.8170.3-171.90117.4
1250H25.2Very low29.9Very low171 Ų171141.5 Ų141.579%0.79276%0.757SS**  trans48.794.1165.8-53.2-63.2000116.6
1251S29.3Very low29.6Very low111 Ų111141.2 Ų141.278%0.77676%0.757SS**  -164.4135.585.646.60000115.1
1252N35.3Very low29.6Very low160 Ų160139.9 Ų139.986%0.85676%0.757SS**  trans-84.6150.6133.4-75.8-12.9000105.4
1253P34.4Very low29.5Very low108 Ų108138.7 Ų138.770%0.70176%0.756SS**  -153.6-166.87137-13.3000115.5
1254L29.4Very low29.5Very low157 Ų157139.1 Ų139.182%0.82276%0.758SS**  trans73150164.4-54.8167.3000117.8
1255S27.8Very low29.6Very low98 Ų98137.4 Ų137.469%0.68576%0.757SS**  173.187.3-62.555.20000110.5
1256E28.5Very low29.3Very low182 Ų182138 Ų13885%0.8576%0.761SS**  trans-159132.2164.3-110.7158.2-156.700105.2
1257K31.2Very low29.5Very low193 Ų193138.4 Ų138.484%0.83977%0.772SS**  54.5128.361-63.9-178.2179178.20112.1
1258S26.6Very low29.8Very low106 Ų106136.2 Ų136.274%0.74178%0.776SS**  cis-175.5156.4-12.737.60000108.2
1259A31.5Very low29.7Very low89 Ų89135.8 Ų135.874%0.73678%0.778SS**  trans67159.7176.300000114.9
1260D29.2Very low30Very low146 Ų146133.4 Ų133.478%0.78178%0.778SS**  cis-157.7174.6-16.3-113.8-28.9000110.6
1261S31.4Very low30.2Very low98 Ų98135.5 Ų135.569%0.68578%0.781SS**  trans57.8100.9168.452.10000117.4
1262I32.3Very low30.3Very low155 Ų155138.4 Ų138.480%0.79578%0.779SS**  54.9134.462.3-19.9144.1000112.3
1263L27.4Very low30Very low137 Ų137137.6 Ų137.672%0.71778%0.781SS**  cis-141.5156.323.3-70.5152.2000110.9
1264F30.2Very low29.9Very low182 Ų182138.3 Ų138.380%0.79878%0.777SS**  -169.9166.565.5-120.9-75.5000112.7
1265S30.8Very low30.1Very low108 Ų108136.5 Ų136.576%0.75577%0.768SS**  trans-102.1170.5-165.655.40000116.6
1266S28Very low30.3Very low118 Ų118140 Ų14083%0.82577%0.771SS**  trans-122.5170.3-167.1-65.40000115.4
1267S29.7Very low30.4Very low111 Ų111137.1 Ų137.178%0.77677%0.766SS**  trans-33.6154.7166.7-44.30000118.4
1268P35.7Very low30.4Very low132 Ų132137.1 Ų137.186%0.85777%0.769SS**  trans-98.4134168.635.7-30.4000113.9
1269S26.3Very low30.5Very low111 Ų111143.2 Ų143.278%0.77678%0.776SS**  trans-153.5118.3164.8620000114.4
1270V30.9Very low31Very low129 Ų129143.8 Ų143.878%0.78277%0.772SS**  trans41.2103.8143.3-174.10000119.9
1271Y27.4Very low31.2Very low215 Ų215145 Ų14584%0.84377%0.772SS**  trans5499.2139.3-78.1-92.2000123.4
1272K32.6Very low31.2Very low171 Ų171144.7 Ų144.774%0.74377%0.77SS**  15.5143.6129.3-67.3-172.1174.2-1740122.1I1274K1272-I1274 HydrophobicContact CD-CD1 4.19Å
1273T27.8Very low31.2Very low144 Ų144146.8 Ų146.888%0.88377%0.773SS**  trans-133.6166135.5-35.40000108.6
1274I33.3Very low31.4Very low123 Ų123145.2 Ų145.263%0.63177%0.774SS**  trans-144.9172.3-167.5-30178.3000111.2K1272K1272-I1274 HydrophobicContact CD-CD1 4.19Å
1275D32.8Very low31.4Very low118 Ų118147.9 Ų147.963%0.63178%0.779SS**  trans85.7146.6159.7-74.3-14.7000117.8
1276K33.9Very low31.8Very low171 Ų171147.2 Ų147.274%0.74377%0.772SS**  cis-158.1-177.77.5-125.1171.2-173.881.20110.5
1277V29.9Very low31.7Very low122 Ų122149 Ų14974%0.73977%0.767SS**  -155.4147.2-82.875.10000109.9
1278E30.1Very low31.7Very low194 Ų194149.9 Ų149.991%0.90776%0.762SS**  trans-149.6-176.4161.6-156.1137.5-124.500112.3
1279R30.5Very low31.4Very low234 Ų234151.4 Ų151.488%0.88376%0.757SS**  trans-141.2165.8-155.5-126.2176.8-167.8167.63.5111.2
1280P41.7Very low31.7Very low100 Ų100150.3 Ų150.365%0.64975%0.75SS**  -160.9177.880.344.9-24.4000119.3
1281H33.6Very low31.5Very low173 Ų173150.7 Ų150.780%0.80175%0.747SS**  trans61.7166.9158.1-57.4-48.7000121.9
1282S30.1Very low31.6Very low91 Ų91146.7 Ų146.764%0.63674%0.74SS**  -171.1168.8-89520000113.9
1283K32.3Very low31.4Very low198 Ų198145.7 Ų145.786%0.86174%0.743SS**  trans88.4146.8176.9-55.1173-177.3177.20115.7
1284S32.1Very low31.6Very low104 Ų104143.5 Ų143.573%0.72773%0.734SS**  cis-172128.5-22.249.90000114.1
1285R29.2Very low31.5Very low238 Ų238144.5 Ų144.590%0.89874%0.739SS**  trans45.8167.5148-84.5-159.293.9161.61.2121.8
1286P40Very low31.4Very low94 Ų94144.3 Ų144.361%0.6175%0.747SS**  trans-130.4-166.5-14646.1-31.2000116.5
1287E26.8Very low31.3Very low156 Ų156141 Ų14173%0.72974%0.741SS**  trans101.6109160.2-76.7173-137.600119.6
1288I28.3Very low31.4Very low130 Ų130143.4 Ų143.467%0.66774%0.741SS**  trans84.2131.7131.3-65171.7000120
1289H29.9Very low31.4Very low163 Ų163139.3 Ų139.376%0.75573%0.725SS**  trans60.1100165.4-67.8-44.2000122.1
1290S31.7Very low31.3Very low89 Ų89135.2 Ų135.262%0.62272%0.72SS**  3.5142.5113.658.20000118
1291N28.4Very low30.8Very low136 Ų136139.5 Ų139.573%0.72773%0.729SS**  cis-169.2175.215.2-125.324.5000113.6
1292N28.5Very low30.7Very low131 Ų131136.2 Ų136.270%0.70173%0.726SS**  trans72.6120.7153.4-61-8.9000121.3
1293N29.6Very low30.7Very low151 Ų151137 Ų13781%0.80773%0.731SS**  172.9158.4128.7-93.8-19000109.4
1294S30.3Very low30.7Very low97 Ų97131.5 Ų131.568%0.67872%0.718SS**  cis-174.7153.3-9.347.40000108.2
1295I31.3Very low30.7Very low144 Ų144134.8 Ų134.874%0.73872%0.721SS**  cis-161150.5-7.9-113166.2000108.3V1297I1295-V1297 HydrophobicContact CG2-CG2 4.11Å
1296S30.9Very low30.7Very low115 Ų115128 Ų12880%0.80471%0.71SS**  trans-157.492.1155.9-1670000108
1297V32.8Very low30.3Very low102 Ų102130.3 Ų130.362%0.61872%0.715SS**  73.391.892.11730000110.3I1295I1295-V1297 HydrophobicContact CG2-CG2 4.11Å
1298K30.6Very low30.4Very low171 Ų171127 Ų12774%0.74371%0.709SS**  85.7149.579-80.3177.9157.2-146.80112.6
1299D30.7Very low30.5Very low108 Ų108126.8 Ų126.858%0.57871%0.71SS**  cis-153.2146.12.6-110.3-30.2000113.2
1300L28.9Very low30.5Very low148 Ų148125.1 Ų125.178%0.77571%0.707SS**  trans37.4130.1137.4-60.2165.8000124.5
1301K31.4Very low30.5Very low190 Ų190128 Ų12883%0.82672%0.715SS**  177.1118.9114-92.7168.2-179177.60109.6
1302S30.3Very low30.7Very low105 Ų105128 Ų12873%0.73472%0.715SS**  61.6136.476.6820000113.4
1303S30.2Very low30.8Very low107 Ų107128 Ų12875%0.74872%0.721SS**  cis-167.2165.93.1-155.30000107.5
1304S32.5Very low30.8Very low83 Ų83125.2 Ų125.258%0.5871%0.71SS**  cis-126-130.5-1.9-56.60000108
1305H31.8Very low30.9Very low173 Ų173129.7 Ų129.780%0.80172%0.72SS**  cis-165.1164.1-21-105.4-31.4000103.4
1306S30.5Very low30.8Very low95 Ų95131.5 Ų131.566%0.66473%0.725SS**  cis-171171.7-25.356.50000105
1307I31.8Very low30.9Very low142 Ų142135.3 Ų135.373%0.72873%0.727SS**  cis-130.4128.52.4-46.9167.5000104.2
1308S27.9Very low31.2Very low86 Ų86136 Ų13660%0.60173%0.734SS**  40.6132.598.4142.50000114.9
1309N30.2Very low31.2Very low126 Ų126133.8 Ų133.867%0.67473%0.73SS**  cis-160.4154.96.7-104.5-13.1000111.1
1310N31Very low31.6Very low129 Ų129136.4 Ų136.469%0.6974%0.737SS**  trans49.6138140.8-57-9.8000120.5
1311N30.6Very low31.8Very low149 Ų149136.3 Ų136.380%0.79774%0.742SS**  cis-148.7157.110.4-102.2-24.6000111.9
1312L33.2Very low31.8Very low137 Ų137130.7 Ų130.772%0.71774%0.738SS**  trans-88.9164.5167.4-152.271000110T1314L1312-T1314 WeakPolarHBondContact CD2-OG1 3.45Å
1313P30.5Very low32Very low130 Ų130137 Ų13784%0.84475%0.746SS**  -144.9137.698.835.9-20.3000115.9
1314T30.5Very low32.1Very low93 Ų93139.2 Ų139.257%0.57175%0.748SS**  trans-126.3157.3161.5-9.40000106.4L1312L1312-T1314 WeakPolarHBondContact CD2-OG1 3.45Å
1315E30.6Very low32Very low191 Ų191140 Ų14089%0.89375%0.753SS**  -150.8-175.966-82.3-156.1118.700114.4
1316Q30.4Very low31.9Very low181 Ų181138.2 Ų138.285%0.84675%0.749SS**  trans-115.6162.1-170.5-59.9-176.15.200113.9
1317K32Very low31.9Very low195 Ų195143.8 Ų143.885%0.84876%0.761SS**  trans-71.4160.6175.4-57.2170.9178.3171.50111.5
1318P39.9Very low31.8Very low117 Ų117143.4 Ų143.476%0.7676%0.761SS**  -150.6141.996.835-16.7000118.2
1319N30.7Very low31.7Very low124 Ų124146 Ų14666%0.66377%0.767SS**  25.2149.6122.2-66.4-52.5000120.8
1320K38.5Very low31.8Very low164 Ų164147.8 Ų147.871%0.71377%0.769SS**  cis-167.7159.811.2-117.2160.6-166.4165.20109.7
1321T32.8Very low31.7Very low145 Ų145152.5 Ų152.589%0.8978%0.777SS**  174155.393.236.50000107.5
1322G32.3Very low31.6Very low72 Ų72153.5 Ų153.574%0.74278%0.781SS**  cis-179.4170.5-4.400000106.4
1323R34.6Very low31.4Very low237 Ų237149.8 Ų149.889%0.89478%0.776SS**  cis-159.9147.86.4-100.2179.7-180169.8-0.4105.1
1324I31.2Very low31.4Very low155 Ų155151.1 Ų151.180%0.79578%0.776SS**  cis68.611732.4-54.7179000113.1
1325S31.2Very low31.4Very low98 Ų98151.6 Ų151.669%0.68578%0.783SS**  cis-166.5163.8-10.7-165.50000111.7
1326L28.9Very low31.4Very low136 Ų136151.5 Ų151.571%0.71278%0.779SS**  trans-8.4148.8157.9-57.2167.2000120.1
1327K32.3Very low31.4Very low213 Ų213147.7 Ų147.793%0.92677%0.769SS**  -161.9125.3106.9-106.3167.2-175.2-178.80116.3
1328N29.7Very low31.2Very low134 Ų134146.3 Ų146.372%0.71777%0.765SS**  trans-53.7159.3-170.5-49.1-1000118.2
1329L25.7Very low30.7Very low140 Ų140145.4 Ų145.473%0.73376%0.762SS**  trans-142.4146.1158-108.6174.2000109.7
1330F30.9Very low30.7Very low164 Ų164146.6 Ų146.672%0.71977%0.768SS**  trans67.6151.4173.3-51.1-58.3000117.1
1331R29.2Very low30.2Very low227 Ų227146.8 Ų146.886%0.85778%0.776SS**  cis-146.8169.9-6.1-133171.6-159.9168.36112.4
1332I28.2Very low30.1Very low171 Ų171145.6 Ų145.688%0.87777%0.774SS**  trans-99.2150.1178.3-63.6159.7000109.7
1333G28.4Very low30.1Very low59 Ų59145.2 Ų145.261%0.60877%0.77SS**  trans154130.6150.900000117.3
1334N31.4Very low30.1Very low158 Ų158140.5 Ų140.585%0.84576%0.762SS**  trans81.1104163-53.4-0.1000115.9
1335S30.9Very low30Very low103 Ų103143.3 Ų143.372%0.7276%0.764SS**  86.6138.460.570.40000113.4
1336K30.4Very low29.8Very low188 Ų188145.8 Ų145.882%0.81777%0.769SS**  cis-165.1153.95.5-128-179.2-179.6-171.30112.1
1337T30.3Very low30Very low101 Ų101146.2 Ų146.262%0.6277%0.771SS**  trans20.5124.3147.952.90000124.6
1338E26.9Very low30.2Very low167 Ų167143.2 Ų143.278%0.7876%0.76SS**  74.4117.5121.1-63.3171.5150.200125.3
1339S29.8Very low30.2Very low97 Ų97143.5 Ų143.568%0.67876%0.762SS**  trans60.4117.1135.263.80000126.1
1340D30.1Very low30.4Very low149 Ų149141.2 Ų141.280%0.79776%0.757SS**  65.2129.3125.8-49.8-12000124.7
1341L29.8Very low30.4Very low169 Ų169139.5 Ų139.589%0.88576%0.756SS**  172162.1114.2-90.8171.9000114.8
1342S29.6Very low30.5Very low120 Ų120137 Ų13784%0.83975%0.754SS**  trans65.6139.5-179.667.30000117
1343G32.5Very low30.8Very low64 Ų64133.9 Ų133.966%0.6675%0.747SS**  cis175.91750.900000110
1344D34.2Very low30.7Very low138 Ų138140.3 Ų140.374%0.73876%0.758SS**  cis-155.4-121.8-8.7-74.5-50.4000112
1345Y29.7Very low30.6Very low214 Ų214137 Ų13784%0.83975%0.753SS**  trans-150179.3-156.2-64.3-78.2000114.7
1346L27.6Very low30.4Very low149 Ų149136.9 Ų136.978%0.7875%0.752SS**  cis169.8128.4-44.7178.3150.9000109.7
1347L33.3Very low30.3Very low145 Ų145132.4 Ų132.476%0.75974%0.744SS**  trans-165.3147171.3-102.7159000116
1348H35.7Very low30.1Very low151 Ų151135.5 Ų135.570%0.69975%0.752SS**  trans47.3113.5163.1-68.4-42.7000121.9
1349N29.5Very low30.2Very low139 Ų139132.6 Ų132.674%0.74375%0.745SS**  80.4137.176.8-79.9107.1000114.6
1350S30.5Very low29.9Very low92 Ų92132.8 Ų132.864%0.64375%0.747SS**  cis-141.3-134.5-4.1-70.40000110
1351D30Very low29.8Very low129 Ų129132 Ų13269%0.6975%0.747SS**  cis-161.8-154.91.4-146.4-90.7000113.6
1352Q32.4Very low29.6Very low175 Ų175130.4 Ų130.482%0.81875%0.745SS**  trans-78.9166.3-168.2-66.8160.677.400116.2
1353S33.1Very low29.6Very low104 Ų104132.7 Ų132.773%0.72775%0.747SS**  cis-145167.412.473.90000110.8
1354K26.9Very low29.3Very low194 Ų194133.2 Ų133.284%0.84374%0.74SS**SBendcis-126.5155.814.7-81-175.4172.8178.50112.7
1355A28.4Very low29.1Very low88 Ų88135.8 Ų135.873%0.72775%0.745SS**  trans57.983.1174.400000113.7
1356S26.7Very low29.2Very low101 Ų101134.4 Ų134.471%0.70674%0.743SS**  64.799.386.676.10000111.3
1357S28.6Very low29.4Very low94 Ų94134.4 Ų134.466%0.65774%0.739SS**  89.1141.689.870.90000111.8
1358E27.5Very low29.1Very low167 Ų167133.9 Ų133.978%0.7874%0.736SS**  cis-166.7-179-1.9-122.2164.2-155.300109.9
1359T27.7Very low28.8Very low105 Ų105136.6 Ų136.664%0.64474%0.74SS**  trans23.4115.8152.660.80000119.4
1360S24.3Very low28.8Very low102 Ų102139.9 Ų139.971%0.71374%0.743SS**  60.3105.468.182.90000116.6
1361T27.9Very low28.6Very low131 Ų131143 Ų14380%0.80475%0.751SS**  trans178.9131.6147.421.30000105.2
1362V25.1Very low28.5Very low137 Ų137142.3 Ų142.383%0.8376%0.757SS**  cis50.978.839.5-168.20000112.3
1363L29.1Very low28.6Very low167 Ų167139.9 Ų139.987%0.87475%0.754SS**  trans-159164.1137.9-111.7171000112
1364S27.2Very low28.8Very low76 Ų76140.4 Ų140.453%0.53175%0.754SS.*  trans-108.3158.8-173.175.10000112.4
1365K30.6Very low28.7Very low192 Ų192139 Ų13984%0.83575%0.751SS**  trans76.7122.4169.5-53.5154.7-171.7171.90113.2
1366K30.8Very low28.8Very low185 Ų185141.2 Ų141.280%0.80475%0.746SS**  82.212767.3-125.1-174.5-178.9-173.90112.7
1367Q31.5Very low28.7Very low149 Ų149143.3 Ų143.370%0.69674%0.744SS**  trans95.294.4155.2-66.5166.7-119.700120.8
1368L27.4Very low28.7Very low133 Ų133146.4 Ų146.470%0.69675%0.746SS**  78.2133.3114.1-72.4169.6000121.4
1369R29.4Very low28.6Very low208 Ų208143.4 Ų143.479%0.78574%0.74SS**  trans74.2146.8155.4-66.4165.1179.1173.2-2.1114.9
1370R29.5Very low28.5Very low209 Ų209144.3 Ų144.379%0.78974%0.74SS**  cis-146.4152.56.9-131160.1-177.3175.7-3.5110.9
1371L26.8Very low28.6Very low156 Ų156145.8 Ų145.882%0.81774%0.74SS**  trans5.5147.1147.5-50.3173.6000118.4
1372S28.5Very low28.6Very low116 Ų116146.5 Ų146.581%0.81174%0.739SS**  cis-146.8164.933.251.80000115.8
1373V33.5Very low28.6Very low124 Ų124146.4 Ų146.475%0.75273%0.732SS**  trans-90.1167.9170.9-145.30000109.7
1374P36.6Very low28.5Very low115 Ų115144 Ų14475%0.74773%0.725SS**  -147.1138.59038-20.2000117.3
1375E26.2Very low28.5Very low164 Ų164144.8 Ų144.877%0.76673%0.73SS**  trans65.1144.3130.9-72.3-175.4-17900127
1376H29.8Very low28.6Very low134 Ų134140.9 Ų140.962%0.6272%0.722SS**  trans66.187.4146.1-82.4-81.6000123.8
1377Q24.6Very low28.7Very low145 Ų145141 Ų14168%0.67872%0.723SS**  86.5158.2109.6-94.8-177.5-6.500124.5
1378F28Very low28.8Very low160 Ų160140.2 Ų140.270%0.70272%0.723SS**  trans70.990.1158.7-78.6-65.5000122.4
1379T25.9Very low29.1Very low104 Ų104140.5 Ų140.564%0.63872%0.723SS**  64.5137.9122.550.60000123.9
1380N26.2Very low29.3Very low123 Ų123135.7 Ų135.766%0.65871%0.713SS**  trans77.2107.7138.6-68.1-2000119.6
1381N26.5Very low29.6Very low133 Ų133133.2 Ų133.271%0.71171%0.708SS**  79.2130.7127.2-63.8-12000116.8
1382L26.6Very low30Very low147 Ų147132.4 Ų132.477%0.7770%0.703SS**  63.8128.879.2-133.681.5000109.4
1383I26Very low30.1Very low134 Ų134134 Ų13469%0.68770%0.698SS**  cis-156.7-154.935.1-22175.8000110.4
1384T26.5Very low30Very low118 Ų118134.4 Ų134.472%0.72469%0.692SS**  trans82.8142.1139.335.70000118.9
1385S26.8Very low29.8Very low91 Ų91135.8 Ų135.864%0.63669%0.686SS**  cis-163.7169.2-7.8-140.80000112.5
1386T32.7Very low30Very low111 Ų111134.3 Ų134.368%0.68168%0.683SS**  170.9123102.935.50000113.8
1387K33.7Very low30.1Very low188 Ų188133.6 Ų133.682%0.81769%0.693SS**  -154.4119.1100.2-94165-176-1790106.6
1388L33.2Very low30.2Very low132 Ų132138 Ų13869%0.69171%0.705SS**  60.7130.879.9-59.8-180000111
1389I33.4Very low30.2Very low138 Ų138135.9 Ų135.971%0.70871%0.71SS**  cis-157.9153.25-125.2162.6000106.5
1390D34.3Very low30.5Very low108 Ų108136.8 Ų136.858%0.57872%0.716SS**  -173.8156.274.2-147.94.1000113.2
1391K34.9Very low30.9Very low156 Ų156136.7 Ų136.768%0.67872%0.722SS**  trans24.9146.2153.5-69.3167.7-162.183.20121.8
1392I35.3Very low31.3Very low139 Ų139136.1 Ų136.171%0.71373%0.725SS**  cis-154169.910.8-125.7157.9000112.4
1393Q31.6Very low32Very low149 Ų149134.5 Ų134.570%0.69672%0.724SS**  trans-43.3158.6173.3-63.5159.8-88.700116.1
1394E30.3Very low32.9Very low134 Ų134133.7 Ų133.763%0.62673%0.727SS**  cis-170.4-161.2-7-105.9-174111.300107.1
1395K32.6Very low33.5Very low144 Ų144132.5 Ų132.563%0.62672%0.722SS**  cis-163170.98.6-140.3165.9-177.570.20111.8
1396N31.8Very low33.6Very low133 Ų133136.7 Ų136.771%0.71173%0.731SS**  trans64.8129.5152.1-75.40.1000124.1
1397S30.9Very low33.5Very low118 Ų118137.5 Ų137.583%0.82574%0.741SS**  trans76.5135.1146.6420000122.1
1398Y27Very low33.3Very low237 Ų237133.7 Ų133.793%0.92974%0.738SS**  trans-97.9152.8-177.4-68.6-110.4000112.6
1399S28.5Very low33.1Very low116 Ų116134.4 Ų134.481%0.81175%0.748SS**  -168.8143.9128.1-168.30000113
1400T30.9Very low32.8Very low123 Ų123131.9 Ų131.976%0.75575%0.748SS**  trans-73.3164.6159.345.80000111.8
1401P35.7Very low32.5Very low122 Ų122133.1 Ų133.179%0.79276%0.759SS**  -150.4173.1110.438.2-21.1000116.8
1402P35.3Very low32.3Very low120 Ų120131.6 Ų131.678%0.77976%0.763SS**  trans-105.3-162.8179.645.3-36.8000112.8
1403P40.9Very low32Very low113 Ų113132.5 Ų132.573%0.73477%0.768SS**  trans-112.3-164-15845.4-38.2000114.7
1404P44.3Very low32.3Very low117 Ų117130.6 Ų130.676%0.7677%0.769SS**  cis-114.7-102.6-26.722.21.3000111.6
1405P40.1Very low32.1Very low94 Ų94128.9 Ų128.961%0.6177%0.772SS**  -125.6178.1-59.230.4-9.8000116.9
1406H27.6Very low31.9Very low179 Ų179126.1 Ų126.183%0.82977%0.77SS**  trans73.5159.2159.7-70-67.3000122
1407S32.1Very low31.7Very low128 Ų128127.4 Ų127.490%0.89578%0.776SS**  trans84.2163163.781.70000119.1
1408S27.9Very low31.9Very low108 Ų108125.6 Ų125.676%0.75576%0.764SS**  trans-154.3131-164.957.60000112.2
1409T30.1Very low32.1Very low146 Ų146122.7 Ų122.790%0.89676%0.756SS**  trans-164.9122.4153.616.90000113.4
1410A26.4Very low32.2Very low85 Ų85124.3 Ų124.370%0.70275%0.754SS**  trans30.1152.8134.600000124.6
1411T28.5Very low32.3Very low134 Ų134125 Ų12582%0.82275%0.753SS**  trans71.7134.6157.313.20000116.2
1412T30.5Very low32.1Very low124 Ų124125.6 Ų125.676%0.76175%0.75SS**  cis-150.4162.126.8-68.20000111.7
1413I30.1Very low32Very low159 Ų159125.8 Ų125.882%0.81575%0.748SS**  trans-128.8124.2-176.3-69166.3000109.3
1414P35.9Very low31.5Very low109 Ų109125.5 Ų125.571%0.70875%0.745SS**  -141.1177.197.444.9-31.7000112.6
1415S26.8Very low31Very low98 Ų98125.4 Ų125.469%0.68574%0.742SS**  cis78.2145.522.7138.60000115.7
1416S28Very low30.5Very low86 Ų86129.1 Ų129.160%0.60175%0.751SS**  cis-174.6-178.7-15.153.40000111
1417L28.9Very low30.5Very low160 Ų160124.8 Ų124.884%0.83874%0.74SS**  trans72.8153.5162.1-63.9161.7000116.6
1418S33.4Very low30.5Very low80 Ų80125.4 Ų125.456%0.55973%0.731SS**  cis-152.5169.311.321.80000110
1419K32.3Very low30.5Very low175 Ų175126.5 Ų126.576%0.76173%0.728SS**  cis-148.4-171.79.7-111.7137.7-150.8130.60106.7
1420L31.4Very low30.4Very low150 Ų150123.9 Ų123.979%0.78572%0.715SS**  cis-133.2-137.113.4-144.5131.9000111
1421L32.3Very low30.5Very low139 Ų139126.1 Ų126.173%0.72872%0.716SS**  trans-151.2170.4-157.9-78.4164.1000114.9
1422N31.8Very low30.6Very low134 Ų134126.8 Ų126.872%0.71771%0.713SS**  trans86.8130.8161.1-59.1-21000117.7
1423T32Very low30.5Very low123 Ų123128 Ų12876%0.75571%0.713SS**  cis-168.2155.4716.30000108.3
1424T31.5Very low30.6Very low107 Ų107125.3 Ų125.366%0.65671%0.707SS**  cis-171176.7-12.8-108.60000109.3
1425T32.4Very low30.2Very low116 Ų116126.7 Ų126.771%0.71271%0.709SS**  trans68.3112.7173.939.40000116.7
1426H29.8Very low30.4Very low171 Ų171129.3 Ų129.379%0.79272%0.715SS**  87.2134.160.3-80.1-66.3000113.3
1427C29Very low30.5Very low88 Ų88129.4 Ų129.460%0.59572%0.716SS**  cis-173170.5-16.2-134.60000113.9
1428M30.9Very low30.7Very low142 Ų142129 Ų12970%0.771%0.711SS**  trans70.9110.6148.8-66.7-62.6161.800122.6
1429N28.7Very low30.6Very low131 Ų131133.3 Ų133.370%0.70172%0.716SS**  63.8125.6114.9-69.615.8000121.4
1430S27.5Very low30.5Very low90 Ų90131.2 Ų131.263%0.62971%0.707SS**  89.3160.468.995.50000113
1431N29Very low30.4Very low133 Ų133129.6 Ų129.671%0.71170%0.704SS**  cis-155170.212.1-134.5-11.5000114.4
1432I29.8Very low30.5Very low148 Ų148130.6 Ų130.676%0.75971%0.709SS**  trans-20.8153.6157.7-64.9159.8000118.5
1433I28.6Very low30.2Very low149 Ų149128.8 Ų128.876%0.76471%0.707SS**  trans-97.4124.3176.5-74.5173.5000112.2
1434C31.5Very low30.8Very low102 Ų102129 Ų12969%0.68971%0.711SS**  trans54.5163.8150.9-67.50000121.5
1435N28Very low30.6Very low139 Ų139131 Ų13174%0.74372%0.717SS**  cis-172.4127.7-39.5-102.7-2.7000107.8
1436D30.7Very low30.5Very low152 Ų152132 Ų13281%0.81372%0.716SS**  trans179.7129.6144.8-96.7-34.9000106.8
1437S32Very low30.6Very low89 Ų89132.8 Ų132.862%0.62272%0.723SS**  cis95.8127.838.992.50000113.4
1438M31.6Very low30.6Very low150 Ų150135.4 Ų135.474%0.73973%0.726SS**  trans147.1111142.3-75-67.1-78.500114.8
1439Y31.4Very low30.4Very low171 Ų171135.1 Ų135.167%0.67173%0.727SS**  trans67.9120.1143.7-75.8-112.2000120.5
1440K30.4Very low30.8Very low132 Ų132135.8 Ų135.857%0.57473%0.731SS**  64.8135.294.6-69.6-160.3-173.1-175.20113.2E938E938-K1440 IonicContact OE1-NZ 3.16Å; E938-K1440 PolarHBondContact OE1-NZ 3.37Å
1441T29.1Very low31Very low116 Ų116136.7 Ų136.771%0.71274%0.735SS**  cis-162.1152.210.27.50000107.6
1442L34.9Very low31.2Very low160 Ų160136.1 Ų136.184%0.83874%0.736SS**  -175.3161.973.7-111.3126.3000110.3
1443S26Very low31.3Very low95 Ų95134.6 Ų134.666%0.66473%0.73SS**  trans-111.5171.5164.5-58.20000110.7
1444P44.8Very low32.1Very low129 Ų129137.5 Ų137.584%0.83873%0.732SS**  -135.2156.2106.537.8-29.3000114.4
1445N27Very low32.1Very low148 Ų148137.5 Ų137.579%0.79172%0.721SS**  trans-118.9-176.5174.1-103.3-40.8000109.4
1446I29.9Very low32.2Very low136 Ų136136.9 Ų136.970%0.69772%0.722SS**  trans82.4100.1162.7-44.2177.1000116
1447M31.9Very low33.2Very low189 Ų189138 Ų13893%0.93173%0.726SS**  -123.4108.5116.6-82.7-152.868.300110.6
1448H28Very low34.1Very low142 Ų142138.7 Ų138.766%0.65773%0.731SS**  trans-71.4172153.3-78.5-19.4000109.2
1449N28.5Very low34Very low136 Ų136135.8 Ų135.873%0.72772%0.722SS**  cis-160.4-179.922-136.8-24.8000113.2
1450N35.6Very low33.9Very low145 Ų145131.7 Ų131.778%0.77571%0.711SS**  trans-67.6172174.9-58.4-50.7000115.1
1451P32.3Very low34.2Very low109 Ų109132.8 Ų132.871%0.70872%0.718SS**  trans-139.1169.3133.538.4-25.6000116.3
1452T32.5Very low34.9Very low121 Ų121132.1 Ų132.174%0.74272%0.716SS**  trans76.9148.7166.278.10000118.5
1453N32.5Very low35Very low117 Ų117130.8 Ų130.863%0.62670%0.701SS**  cis-164.1157.6-18.3-112.2-22.1000115.9
1454Y46.5Very low35.1Very low210 Ų210129.1 Ų129.182%0.82469%0.688SS**  trans60.8157.6152.2-63-53.1000126.2
1455K30.8Very low34.5Very low101 Ų101127.8 Ų127.844%0.43968%0.679SS.*  trans-151.980.6-179.6177.3-122168.7168.70113.4V1459 N1460K1455-V1459 HydrophobicContact CD-CG2 4.45Å; K1455-V1459 HydrophobicContact CG-CG2 4.34Å; K1455-N1460 WeakPolarHBondContact CD-OD1 3.48Å; K1455-N1460 VanDerWaalsContact CE-CG 3.43Å; K1455-N1460 VanDerWaalsContact CE-OD1 3.26Å; K1455-N1460 WeakPolarHBondContact CE-OD1 3.27Å; K1455-N1460 WeakPolarHBondContact CG-OD1 3.39Å; K1455-N1460 PolarHBondContact NZ-ND2 3.46Å
1456T31Very low35.1Very low127 Ų127126.2 Ų126.278%0.77968%0.678SS**SBendtrans-158121.7162.65.80000105.7
1457I50.7Low35.5Very low175 Ų175125 Ų12590%0.89768%0.678SS**SBendtrans55.187.4-141.4-65.4177.9000109
1458S50Low35.4Very low103 Ų103122.4 Ų122.472%0.7267%0.668SS**SBendcis167.3136.7-21165.90000105.8
1459V30.7Very low35.5Very low90 Ų90122.2 Ų122.255%0.54567%0.671SS.*  cis-161.1127.9-15.9143.60000105K1455K1455-V1459 HydrophobicContact CD-CG2 4.45Å; K1455-V1459 HydrophobicContact CG-CG2 4.34Å
1460N28.8Very low35.8Very low85 Ų85121 Ų12146%0.45567%0.673SS.*  trans39.6166.5150.6-74.415000122.1K1455K1455-N1460 WeakPolarHBondContact CD-OD1 3.48Å; K1455-N1460 VanDerWaalsContact CE-CG 3.43Å; K1455-N1460 VanDerWaalsContact CE-OD1 3.26Å; K1455-N1460 WeakPolarHBondContact CE-OD1 3.27Å; K1455-N1460 WeakPolarHBondContact CG-OD1 3.39Å; K1455-N1460 PolarHBondContact NZ-ND2 3.46Å
1461H37.6Very low36Very low154 Ų154119.1 Ų119.171%0.71367%0.668SS**  cis-152.9164.518.2-115-53.3000110.7
1462P44Very low36.4Very low102 Ų102119.9 Ų119.966%0.66267%0.674SS**  trans-103.8134.4171.735.8-26.9000114.3
1463Y36.8Very low36.6Very low133 Ų133119.7 Ų119.752%0.52267%0.674SS.*  trans-157.2123.2161.9-96.1-73.2000107.4T929 K930T929-Y1463 HydrophobicContact CG2-CD1 4.41Å; T929-Y1463 HydrophobicContact CG2-CE1 3.5Å; T929-Y1463 VanDerWaalsContact CG2-CE1 3.5Å; K930-Y1463 HydrophobicContact CD-CE1 4Å; K930-Y1463 HydrophobicContact CG-CE1 4.16Å; K930-Y1463 PolarHBondContact NZ-OH 3.11Å
1464C26.5Very low36.5Very low60 Ų60120.6 Ų120.641%0.40568%0.678SS.*  75.9155.899.7-78.80000117.6
1465P33.1Very low36Very low100 Ų100116.8 Ų116.865%0.64968%0.679SS**  trans-113.4-150.5-168.445.7-33.4000110.8
1466P39.2Very low36.2Very low116 Ų116116.8 Ų116.875%0.75369%0.689SS**  cis-109.4-146.2-4737.1-18.9000107.9
1467P38.9Very low36.1Very low110 Ų110119.8 Ų119.871%0.71469%0.687SS**  cis-130.5-148.8-14.943.9-24.8000113.2
1468D28.7Very low35Very low134 Ų134119 Ų11972%0.71769%0.69SS**  trans90.5113.6157.8-88-5.1000122.3
1469I32Very low33.8Very low139 Ų139116.8 Ų116.871%0.71367%0.674SS**  trans81.3133.4133.9-63.8166.4000120.1
1470S32.7Very low33.6Very low110 Ų110122 Ų12277%0.76969%0.686SS**  trans86.2155.2160.475.60000118.7
1471P40.6Very low33.5Very low105 Ų105122.2 Ų122.268%0.68269%0.694SS**  trans-91.2174.4-157.4-1.521.4000114.9
1472P39.9Very low33.2Very low126 Ų126121 Ų12182%0.81870%0.697SS**  trans-52.5128169.122-34.8000111.6
1473P37.2Very low32.5Very low116 Ų116121.8 Ų121.875%0.75370%0.702SS**  trans-83.3154.1-171.332.2-35.9000113.8
1474L30.8Very low31.9Very low137 Ų137125.4 Ų125.472%0.71772%0.716SS**  trans-10.1143.1153.6-57.2166000117P1476L1474-P1476 HydrophobicContact CB-CG 4.47Å; L1474-P1476 WeakPolarHBondContact O-CD 3.32Å; L1474-P1476 WeakPolarHBondContact O-CG 3.05Å
1475P36Very low32Very low130 Ų130127.6 Ų127.684%0.84473%0.728SS**  trans-65.8109.4139.229.5-29.8000108.3
1476P34.4Very low31.8Very low100 Ų100130.1 Ų130.165%0.64974%0.735SS**  trans-86.1138.6-173.1-5.325.8000111L1474L1474-P1476 HydrophobicContact CB-CG 4.47Å; L1474-P1476 WeakPolarHBondContact O-CD 3.32Å; L1474-P1476 WeakPolarHBondContact O-CG 3.05Å
1477R28.4Very low31.3Very low191 Ų191129.8 Ų129.872%0.72173%0.731SS**  trans14.6115.3142.2-65.7-179.5167.7-1634.8117.3S1479R1477-S1479 VanDerWaalsContact C-N 3.31Å
1478V28Very low30.9Very low158 Ų158129.8 Ų129.896%0.95873%0.729SS**SBend-90.481.6126.7-177.90000106.4
1479S25.1Very low30.9Very low57 Ų57132 Ų13240%0.39973%0.732SS.*  trans-154.8113.8-174.1-41.80000112.7R1477R1477-S1479 VanDerWaalsContact C-N 3.31Å
1480Y27.8Very low30.8Very low200 Ų200129.5 Ų129.578%0.78473%0.727SS**  trans73.8108.9160.3-60.9-69000119.8
1481S25Very low30.7Very low89 Ų89130.2 Ų130.262%0.62272%0.722SS**  83.2126.7114.571.40000120.4
1482T32.8Very low30.4Very low127 Ų127133.1 Ų133.178%0.77973%0.726SS**  trans68.5142.7139.650.80000117.3
1483P28.8Very low30.1Very low119 Ų119131.5 Ų131.577%0.77372%0.718SS**  cis-141.7179.841.842.6-23.8000118.3
1484Y24.8Very low30.1Very low210 Ų210133.9 Ų133.982%0.82472%0.716SS**  trans-8.5140.1152.3-93.3-132.5000120
1485V28.7Very low30.1Very low106 Ų106133.7 Ų133.764%0.64271%0.713SS**  76.6108.6129.1170.90000118.8
1486L28.9Very low30.1Very low152 Ų152133.7 Ų133.780%0.79671%0.705SS**  trans67.6146.6149.4-55.3171.8000116.4
1487T27.6Very low30.1Very low109 Ų109136.1 Ų136.167%0.66971%0.705SS**  cis-150.5175.78.6-18.50000111.8
1488T30.6Very low30.4Very low111 Ų111135.1 Ų135.168%0.68170%0.703SS**  trans65.6115.5150.743.40000120.8
1489K29Very low30.7Very low181 Ų181135.6 Ų135.679%0.78769%0.694SS**  54.6106.8120.7-66.4180-179.3-179.60117
1490S29.6Very low31.8Very low86 Ų86137.7 Ų137.760%0.60171%0.707SS**  65.6128.982.879.80000113.2
1491N31.5Very low31.8Very low124 Ų124134.6 Ų134.666%0.66370%0.703SS**  -167.1178.955.6-85.1-58.8000113.4
1492H34.3Very low32.6Very low166 Ų166135.9 Ų135.977%0.76971%0.709SS**  trans101.9135.7136.8-70.9-48.2000122.2
1493S32.6Very low32.5Very low93 Ų93136.2 Ų136.265%0.6570%0.702SS**  trans79.1138.5146.6-67.20000119.8
1494K36.8Very low32.6Very low165 Ų165137 Ų13772%0.71770%0.695SS**  cis-157.6149.9-18.6-118.8167-171.2176.80107.4
1495M32.1Very low32.8Very low133 Ų133134.4 Ų134.466%0.65569%0.691SS**  41.9140.8105.1-62.3169.643.400114.9
1496I36Very low32.8Very low130 Ų130133.9 Ų133.967%0.66769%0.691SS**  cis-146.7128.147.4-71.1171.5000108.3Y1498I1496-Y1498 HydrophobicContact CG2-CD2 4.26Å; I1496-Y1498 HydrophobicContact CG2-CE2 3.9Å
1497K33.5Very low33Very low151 Ų151133.1 Ų133.166%0.65769%0.688SS**  49.7152.499.7-52.4-173.9173.9-173.40115.4
1498Y35.4Very low33.1Very low170 Ų170134.7 Ų134.767%0.66769%0.693SS**  cis-133.1177.120.6-75.7-105000110.6I1496I1496-Y1498 HydrophobicContact CG2-CD2 4.26Å; I1496-Y1498 HydrophobicContact CG2-CE2 3.9Å
1499H34.9Very low32.9Very low169 Ų169136.5 Ų136.578%0.78270%0.698SS**  cis-140.9-167.725.7-116.1-67000111.9
1500P47.4Very low32.8Very low101 Ų101133.6 Ų133.666%0.65670%0.701SS**  trans-107.5175.9-146.543.3-28.1000114.2
1501L27.5Very low32.9Very low135 Ų135135.6 Ų135.671%0.70771%0.709SS**  cis63.4145.542.3-76.7169.5000113.3
1502P42.8Very low32.8Very low116 Ų116136.4 Ų136.475%0.75371%0.711SS**  cis-109.8172.729.58.616.6000115.4
1503E30.6Very low32.9Very low133 Ų133136.1 Ų136.162%0.62171%0.713SS**  cis80.9143.338.2-117.7-173.9-121.600112.6
1504Q30.7Very low32.9Very low136 Ų136136.3 Ų136.364%0.63671%0.707SS**  cis-143.315121.9-73.4-170.9-11.800112.6
1505Q27.6Very low32.6Very low156 Ų156135.7 Ų135.773%0.72970%0.704SS**  62.3150.8100.9-43.817026.700116.1
1506S30.3Very low32.6Very low94 Ų94134.7 Ų134.766%0.65771%0.706SS**  cis-157.2164.312.276.70000114.7
1507N32.1Very low32.5Very low137 Ų137135.9 Ų135.973%0.73371%0.706SS**  trans57111.3145-57.8-13000124.7
1508N29.4Very low32.7Very low142 Ų142133.9 Ų133.976%0.75970%0.699SS**  62.8129.5129.9-58.4-5.8000124.6
1509N27.2Very low32.5Very low149 Ų149129.2 Ų129.280%0.79769%0.686SS**  trans72.1129.3152-64-9.7000121.4
1510S27Very low32.6Very low120 Ų120126.8 Ų126.884%0.83967%0.673SS**  trans62.7144.4165-58.10000115.9
1511T32.3Very low31.9Very low128 Ų128132.2 Ų132.279%0.78568%0.68SS**  cis-145.3135.325.4260000110.7
1512M28.2Very low32.2Very low141 Ų141135.3 Ų135.370%0.69569%0.688SS**  65.4111.198-80-106.954.800119.1D1514M1512-D1514 VanDerWaalsContact CE-OD1 3.3Å; M1512-D1514 WeakPolarHBondContact CE-OD1 3.4Å
1513I36.3Very low31.7Very low160 Ų160139.3 Ų139.382%0.82169%0.694SS**  trans178.796139.7-91.6154.2000105
1514D32.8Very low31.8Very low96 Ų96138.3 Ų138.351%0.51370%0.701SS.*  76.2134.692.8-86.89.1000115.2M1512M1512-D1514 VanDerWaalsContact CE-OD1 3.3Å; M1512-D1514 WeakPolarHBondContact CE-OD1 3.4Å
1515K31.4Very low31.9Very low153 Ų153135.7 Ų135.767%0.66570%0.698SS**  cis-164.8133.8-8.6-124.8171.8-170.693.20112.7
1516T30.7Very low32.2Very low112 Ų112139.1 Ų139.169%0.68771%0.706SS**  trans65.7135.2144.951.30000126.5
1517K34.6Very low32.3Very low154 Ų154139.7 Ų139.767%0.6771%0.71SS**  trans87.4125.7131.7-78166.8-176.8174.60123.9L1583K1517-L1583 HydrophobicContact CG-CD1 4.08Å
1518Q36.9Very low32.2Very low109 Ų109140.8 Ų140.851%0.50971%0.713SS.*  trans73.1100.9131-70.5-177.430.800122.9S1582 L1583Q1518-S1582 PolarHBondContact N-O 3.12Å; Q1518-L1583 HydrophobicContact CG-CB 3.59Å; Q1518-L1583 HydrophobicContact CG-CD1 3.8Å; Q1518-L1583 HydrophobicContact CG-CD2 4.1Å; Q1518-L1583 HydrophobicContact CG-CG 4.04Å
1519N32.7Very low32.1Very low72 Ų72139.5 Ų139.539%0.38571%0.71SS.*  66.1150.1109.6-147.56.3000124.3L1583 L1584N1519-L1583 WeakPolarHBondContact CB-O 3.26Å; N1519-L1583 PolarHBondContact ND2-O 3.02Å; N1519-L1583 PolarHBondContact OD1-O 3.14Å; N1519-L1584 VanDerWaalsContact CG-O 3.25Å; N1519-L1584 VanDerWaalsContact ND2-CB 3.29Å; N1519-L1584 WeakPolarHBondContact ND2-CB 3.16Å; N1519-L1584 PolarHBondContact ND2-O 2.8Å; N1519-L1584 PolarHBondContact OD1-O 3.33Å; N1519-L1584 VanDerWaalsContact OD1-O 3.12Å
1520K35.9Very low32.3Very low119 Ų119138.3 Ų138.352%0.51771%0.708SS.*  trans80.9113.1142.2-105.4170.7-163.1178.70121.2A1585K1520-A1585 WeakPolarHBondContact CE-O 3.29Å
1521R33.5Very low32.3Very low214 Ų214137.8 Ų137.881%0.80870%0.704SS**  trans55.8116.1137.2-75.2-176.5174.7174.31.5120.6
1522K32.4Very low32.2Very low200 Ų200137.7 Ų137.787%0.8770%0.703SS**  trans-24139.6147-52.5176.2179.2-175.60115.9
1523K33.2Very low32.1Very low201 Ų201137 Ų13787%0.87471%0.707SS**  -176.6156110.8-107.5-175.7176.4-170.90112.7
1524S32.8Very low31.8Very low112 Ų112134.5 Ų134.578%0.78370%0.704SS**  trans73143.6156.81480000116.7
1525S33.2Very low31.5Very low81 Ų81133.6 Ų133.657%0.56671%0.705SS**  cis-163155.5-13.4-69.50000110.6
1526Y34.3Very low31.6Very low228 Ų228136.5 Ų136.589%0.89471%0.713SS**  trans61.5158.6162.7-58.7-59.7000116.9
1527S31.5Very low31.6Very low105 Ų105136 Ų13673%0.73471%0.714SS**  cis-146.2175.5-17.5-160.70000110
1528M31Very low31.6Very low161 Ų161134.3 Ų134.379%0.79372%0.717SS**  trans-31.3146.1168.7-55-57.2175.800115.7
1529T27.3Very low31.4Very low115 Ų115134.8 Ų134.871%0.70672%0.723SS**  cis-164.8176.29.53.70000111.9
1530T31.1Very low31.4Very low124 Ų124138.2 Ų138.276%0.76174%0.736SS**  trans90.5116.3161.873.60000120.9
1531S26.7Very low31.1Very low108 Ų108140.2 Ų140.276%0.75575%0.748SS**  trans76.2154.7140.378.30000122.9
1532V29.6Very low30.9Very low126 Ų126135.3 Ų135.376%0.76475%0.746SS**  trans72.3102.3160.5-168.50000121.4
1533V27.2Very low30.7Very low128 Ų128133.3 Ų133.378%0.77674%0.744SS**  47.1143127.8-174.30000123.2
1534S28.2Very low30.3Very low107 Ų107128.5 Ų128.575%0.74874%0.735SS**  trans76.1155.6159.9-86.70000119.9
1535S28.2Very low29.9Very low76 Ų76128.8 Ų128.853%0.53174%0.738SS.*  cis-171.8167.5-23.848.60000112.4
1536Y33.2Very low29.9Very low214 Ų214130.5 Ų130.584%0.83975%0.747SS**  trans67.9139.3172.9-47.9-69.5000117.7
1537S31Very low29.7Very low101 Ų101129.9 Ų129.971%0.70674%0.743SS**  cis84.4140.720.4-149.70000114.2
1538T34.2Very low29.5Very low119 Ų119130.5 Ų130.573%0.7374%0.737SS**  cis-152.2-16416.4-29.10000108.4
1539N32Very low29.2Very low120 Ų120128.9 Ų128.964%0.64274%0.736SS**  cis-165.1-179.4-1-151.8-15.9000112.4
1540H33.5Very low29.2Very low143 Ų143128.3 Ų128.366%0.66274%0.737SS**  trans73.8140.6156.1-59.2-42.3000121.5
1541Q29.7Very low29.3Very low162 Ų162127.8 Ų127.876%0.75773%0.733SS**  cis-153.8162-2.1-129.9178.265.500114.8
1542S27.9Very low29.3Very low110 Ų110126.6 Ų126.677%0.76973%0.73SS**  trans83.9139.2163.281.80000121.5
1543L27.9Very low29.3Very low158 Ų158125.2 Ų125.283%0.82773%0.726SS**  trans50.599.4161.7-70.7172.8000122.3
1544S25.3Very low29.2Very low100 Ų100124.5 Ų124.570%0.69973%0.727SS**  trans73.1112.7133.271.20000119.9
1545S24.7Very low29.5Very low119 Ų119125.6 Ų125.683%0.83273%0.731SS**  trans70.9154.1176.8-38.80000114.8
1546P34.5Very low29.6Very low117 Ų117126.8 Ų126.876%0.7675%0.746SS**  cis-130.2-171.50.838.6-20.5000114.1
1547R28.3Very low29.5Very low214 Ų214126.3 Ų126.381%0.80874%0.744SS**  trans85102.2137.6-161.7179.9-167.2-165.6-0.7119.3
1548I27.3Very low29.5Very low119 Ų119124.5 Ų124.561%0.6174%0.742SS**  trans60.991.3138.8-51.1171.4000116.1S1550I1548-S1550 VanDerWaalsContact CG2-OG 3.27Å; I1548-S1550 WeakPolarHBondContact CG2-OG 2.89Å
1549T26.1Very low29.3Very low127 Ų127126.9 Ų126.978%0.77975%0.749SS**  -108.870.4128.741.20000109.3T1551T1549-T1551 HydrophobicContact CG2-CG2 4.24Å; T1549-T1551 PolarHBondContact O-N 3.35Å
1550S27.3Very low29.2Very low102 Ų102126.4 Ų126.471%0.71375%0.751SS**  trans-75.568.9148.962.40000107.1I1548I1548-S1550 VanDerWaalsContact CG2-OG 3.27Å; I1548-S1550 WeakPolarHBondContact CG2-OG 2.89Å
1551T31.9Very low29.1Very low113 Ų113128.1 Ų128.169%0.69376%0.756SS**  trans-62.2141.517236.80000108.9T1549 S1553T1549-T1551 HydrophobicContact CG2-CG2 4.24Å; T1549-T1551 PolarHBondContact O-N 3.35Å; T1551-S1553 PolarHBondContact O-N 3.5Å
1552A27.9Very low29.2Very low83 Ų83127.1 Ų127.169%0.68676%0.756SS**  trans-35.7130.6175.500000111.8
1553S29.2Very low29.4Very low97 Ų97126.4 Ų126.468%0.67876%0.757SS**  34.6111.585.768.60000111.5T1551T1551-S1553 PolarHBondContact O-N 3.5Å
1554S25.5Very low29.6Very low114 Ų114124.8 Ų124.880%0.79775%0.754SS**  47.2115.885.4-52.20000112.1
1555P34.8Very low29.8Very low129 Ų129128.3 Ų128.384%0.83876%0.759SS**  cis-126.5160.6-3.240.9-26.9000115
1556A28.8Very low30.4Very low101 Ų101127.4 Ų127.484%0.83575%0.75SS**  trans-176.4148.2143.900000109.7
1557Y31.5Very low30.1Very low204 Ų204127.7 Ų127.780%0.875%0.75SS**  trans-95.8153.4171.9-89.9-103.3000110.9F115F115-Y1557 WeakPolarHBondContact CZ-OH 3.11Å
1558G30.5Very low30.3Very low64 Ų64122.9 Ų122.966%0.6675%0.749SS**  trans83.6144.316900000114.6
1559L30.2Very low30.4Very low169 Ų169122.9 Ų122.989%0.88575%0.75SS**  cis52.8110.918-46.8-179.8000111.5
1560T30.5Very low30.7Very low110 Ų110124.6 Ų124.668%0.67575%0.747SS**  cis-153.3168.924.349.80000112.9
1561F31.8Very low30.9Very low178 Ų178128.7 Ų128.778%0.78175%0.752SS**  trans32.3137.5146.7-56.1-50.3000120.4
1562N31.4Very low30.9Very low141 Ų141128.7 Ų128.775%0.75476%0.757SS**  cis-154.6157.78.6-111.8-22.8000110.1
1563A31.7Very low31Very low95 Ų95131.8 Ų131.879%0.78576%0.762SS**  trans-93.9146.8159.800000109.3
1564V32.3Very low31.1Very low125 Ų125136.2 Ų136.276%0.75877%0.769SS**  trans-104.2137.1173.9174.20000109.1
1565E30.4Very low31.1Very low174 Ų174135 Ų13581%0.81376%0.76SS**SBendtrans73.4149.8164.4-83.3177-173.200119.4
1566P36.8Very low30.8Very low100 Ų100136.6 Ų136.665%0.64976%0.756SS**  -130.5152-114.741.4-24.6000113.5
1567T27.7Very low31Very low122 Ų122137.5 Ų137.575%0.74875%0.747SS**  32.4133.987.694.30000114.5
1568S32.4Very low31.2Very low113 Ų113133.6 Ų133.679%0.7974%0.74SS**  cis-173.7-175.342.854.20000111.8
1569N29.2Very low31.2Very low119 Ų119136 Ų13664%0.63674%0.738SS**  cis165.3147.8-42.9-160.1-15000107.3
1570K33.8Very low31Very low164 Ų164134 Ų13471%0.71373%0.728SS**  trans71.3158.9167.3-60.3147.9-172.1170.90115.7
1571K31.7Very low31.1Very low187 Ų187136.2 Ų136.281%0.81374%0.736SS**  cis-166.3149.8-6.6-120.9171.5-179.1-172.80110.3
1572S31.5Very low31.2Very low114 Ų114130.7 Ų130.780%0.79772%0.72SS**  178.3-171.3122.759.40000110.4
1573N28.7Very low31.4Very low147 Ų147127.1 Ų127.179%0.78670%0.7SS**  trans-126.1175.6-165.9-63.3-32.6000112.2
1574F31.9Very low31.7Very low191 Ų191127.9 Ų127.984%0.83869%0.69SS**  trans86.3140.8163.7-101.1-94.2000118.4
1575S26.1Very low31.9Very low88 Ų88123.5 Ų123.562%0.61567%0.667SS**  trans29.1130.7153.858.60000120.8
1576H28.4Very low31.8Very low162 Ų162122 Ų12275%0.7567%0.665SS**  trans66.2151.4168.2-67.3-76.8000114.4
1577D32.2Very low31.6Very low120 Ų120122.8 Ų122.864%0.64266%0.664SS**  cis-143.7-178.2-9.5-123.8-25.1000110.9
1578D35Very low31.6Very low123 Ų123123.3 Ų123.366%0.65866%0.662SS**  trans53.2110.9148.6-81.2-22.7000118.9
1579N30.6Very low31.3Very low115 Ų115121.8 Ų121.862%0.61565%0.651SS**  71120.390.3-84-50.7000112.5
1580N27.5Very low31.5Very low127 Ų127127.6 Ų127.668%0.67966%0.664SS**  41.4108.490.7-62.9-53.2000111.9
1581N31.9Very low31.2Very low155 Ų155123.2 Ų123.283%0.82967%0.666SS**  178.6144115.5-89.7-35.2000109.9
1582S34.3Very low31.3Very low63 Ų63126.1 Ų126.144%0.44167%0.671SS.*  cis-172.9165.80.446.30000110.8Q1518Q1518-S1582 PolarHBondContact N-O 3.12Å
1583L35.5Very low31.1Very low65 Ų65132.2 Ų132.234%0.3468%0.677SS.*  cis-153160.231.5-100.4101000111.1K1517 Q1518 N1519K1517-L1583 HydrophobicContact CG-CD1 4.08Å; Q1518-L1583 HydrophobicContact CG-CB 3.59Å; Q1518-L1583 HydrophobicContact CG-CD1 3.8Å; Q1518-L1583 HydrophobicContact CG-CD2 4.1Å; Q1518-L1583 HydrophobicContact CG-CG 4.04Å; N1519-L1583 WeakPolarHBondContact CB-O 3.26Å; N1519-L1583 PolarHBondContact ND2-O 3.02Å; N1519-L1583 PolarHBondContact OD1-O 3.14Å
1584L38Very low31Very low111 Ų111136.7 Ų136.758%0.58168%0.683SS**  trans76.2143.4138.2-78.9168.3000123.7N1519N1519-L1584 VanDerWaalsContact CG-O 3.25Å; N1519-L1584 VanDerWaalsContact ND2-CB 3.29Å; N1519-L1584 WeakPolarHBondContact ND2-CB 3.16Å; N1519-L1584 PolarHBondContact ND2-O 2.8Å; N1519-L1584 PolarHBondContact OD1-O 3.33Å; N1519-L1584 VanDerWaalsContact OD1-O 3.12Å
1585A37.5Very low30.9Very low34 Ų34138.6 Ų138.628%0.28168%0.684SS.*  trans46.190.5139.200000115.8K1520K1520-A1585 WeakPolarHBondContact CE-O 3.29Å
1586N27.3Very low31.1Very low142 Ų142141.2 Ų141.276%0.75969%0.687SS**  cis42.8164.546.6-108.33.2000114.5
1587D32.6Very low31.2Very low117 Ų117140 Ų14063%0.62668%0.681SS**  trans68.6144.2167.3-60.1-50.1000119.8
1588N27.3Very low31Very low132 Ų132140.9 Ų140.971%0.70668%0.681SS**  cis-153.8-179.9-40-140.3-49.2000109.9
1589S26.5Very low30.9Very low81 Ų81141.8 Ų141.857%0.56668%0.681SS**  trans0.113115765.30000118.9
1590R33.5Very low31Very low242 Ų242142.2 Ų142.291%0.91368%0.679SS**  -176.5100.3111-96.2155.5-169.6-1733.8111.8
1591G28.2Very low30.9Very low72 Ų72142.7 Ų142.774%0.74268%0.678SS**  trans-84.9147.2148.900000109.8
1592R31.9Very low30.8Very low247 Ų247141.7 Ų141.793%0.93267%0.672SS**  trans72.393.4174.5-56.8-178.6170.8-165.6-2.6118.2
1593R29.1Very low30.5Very low242 Ų242141.9 Ų141.991%0.91368%0.684SS**  -157.3123.5111.6-92.3163.5-171.6-163.51.3104.7
1594R26.8Very low30.1Very low241 Ų241146.1 Ų146.191%0.90971%0.705SS**  61.9135.164.3-88.4-166.4170.5-171.8-3113.3
1595R29.3Very low29.7Very low231 Ų231147.8 Ų147.887%0.87271%0.714SS**  trans77.5142.4-169-54.4-172.3170.4174.9-2.6112.7
1596H29.4Very low29.1Very low143 Ų143150.9 Ų150.966%0.66273%0.734SS**  cis-155.9-166.4-18.8-117.7-67.3000108.8
1597H30.3Very low29.1Very low137 Ų137152.5 Ų152.563%0.63474%0.737SS**  trans-7.2157152.9-58.9-72.7000118.6
1598H29.2Very low28.8Very low138 Ų138151.9 Ų151.964%0.63974%0.741SS**  cis-175.2173.1-3-113.2-44.9000105.3
1599H32.5Very low28.8Very low143 Ų143150.7 Ų150.766%0.66274%0.744SS**  trans61.1171.1151.9-70.5-36.8000117.1
1600Q32.1Very low29.1Very low123 Ų123154.4 Ų154.458%0.57576%0.756SS**  cis-126.9157-22.9-139.4104.525.300105.8
1601Q26.8Very low28.8Very low138 Ų138152 Ų15265%0.64575%0.752SS**  35.1143.498-59.7-179.6-100.500116.5
1602D28Very low29.1Very low133 Ų133153.8 Ų153.871%0.71175%0.75SS**  cis-136-170.1-12.4-93.2-35.5000108.2
1603G28.1Very low28.9Very low67 Ų67150 Ų15069%0.69174%0.743SS**  81.3138.292.200000111.7
1604I29Very low28.9Very low154 Ų154144.3 Ų144.379%0.7974%0.735SS**  cis-164.4150.421.1-122.1161.5000109
1605L28.3Very low29.5Very low146 Ų146138.7 Ų138.776%0.76473%0.73SS**  trans45.3121157.1-56.8175.1000120
1606S25.6Very low29.5Very low100 Ų100131 Ų13170%0.69972%0.716SS**  85.7160.4106.579.80000113.1
1607E27.5Very low29.7Very low176 Ų176131.6 Ų131.682%0.82272%0.723SS**  cis-148.2-166.611.8-155.2152.3-145.900112
1608S25.7Very low29.7Very low103 Ų103133.9 Ų133.972%0.7273%0.727SS**  trans-57161175.762.30000114.1
1609S27.1Very low29.9Very low108 Ų108133.8 Ų133.876%0.75573%0.728SS**  cis-141.8-140.317.2-146.40000110.8
1610I32.2Very low29.9Very low159 Ų159133 Ų13382%0.81573%0.729SS**  cis-147.8176.79-14.4178.2000110.5
1611K27.7Very low29.9Very low192 Ų192131.3 Ų131.384%0.83573%0.731SS**  trans-88.9168.5163.4-71.7178.2-179.6176.60109.8
1612P34.7Very low30.3Very low108 Ų108133 Ų13370%0.70174%0.736SS**  cis-128.8-156.418.439.8-17.8000112.3
1613Q28.8Very low30.5Very low167 Ų167133.9 Ų133.978%0.7874%0.736SS**  cis-155.2161.96.4-159.7140.6-33.800113.8
1614T28.2Very low30.7Very low124 Ų124137.7 Ų137.776%0.76174%0.739SS**  trans-142.8168.1163.548.30000106.4
1615P38.3Very low30.8Very low123 Ų123137.5 Ų137.580%0.79974%0.738SS**  cis-143.4-154.638.936.7-9000112.8
1616A31.1Very low30.9Very low70 Ų70139.9 Ų139.958%0.57974%0.742SS**  cis-166.5159.713.600000114.7
1617I32.3Very low31Very low155 Ų155142.3 Ų142.380%0.79575%0.747SS**  trans67.4133.4139.7-69.1164000117.7
1618Y30.4Very low31.1Very low184 Ų184139.5 Ų139.572%0.72275%0.746SS**  cis-163.41491.8-136.6-144.7000112.5
1619M33.6Very low31.3Very low136 Ų136141.1 Ų141.167%0.6775%0.746SS**  trans55.7157148.3-62.3-78-175.700123
1620N32.6Very low31.3Very low126 Ų126144.7 Ų144.767%0.67475%0.748SS**  cis-173.5139.3-37.5-159.1-15.7000112.3
1621S32Very low31.1Very low88 Ų88146.4 Ų146.462%0.61575%0.75SS**  trans68.7152.1157.381.60000117.3
1622K34.8Very low31.1Very low174 Ų174142.6 Ų142.676%0.75775%0.747SS**  cis-155.4175.619.3-63.2175.2-175170.80110
1623Q32.9Very low30.7Very low151 Ų151143.7 Ų143.771%0.70675%0.752SS**  cis-173.4155.7-35.3-95.6168.6-61.400108.2
1624I32.6Very low31Very low148 Ų148141 Ų14176%0.75975%0.749SS**  trans66.7142.7154.3-67.5157.6000119
1625I30.7Very low30.8Very low150 Ų150140.3 Ų140.377%0.76975%0.75SS**  cis-164.8165.4-44.4-112.5161.9000108.7
1626K29.3Very low30.6Very low195 Ų195139.6 Ų139.685%0.84875%0.745SS**  trans-102.6148.4178.6-63.9171-179.2166.80112.5
1627D29.2Very low30.3Very low152 Ų152144.4 Ų144.481%0.81376%0.755SS**  trans-168.3170157.8-98.3-31.1000110.3
1628C29.4Very low30.1Very low116 Ų116148 Ų14878%0.78476%0.758SS**  -157.1-174.9-53.3-134.40000111.2
1629N29.1Very low29.9Very low137 Ų137143.1 Ų143.173%0.73375%0.751SS**  trans-89.2142.4-164.8-94-80.7000117.6
1630K28.3Very low29.8Very low183 Ų183148.4 Ų148.480%0.79676%0.764SS**  trans40111.9145.6-63.8177179.3172.70120.3
1631K27.1Very low29.6Very low195 Ų195147.2 Ų147.285%0.84877%0.766SS**  176163.3106.1-100.1173-179.2174.70114.2
1632S28.2Very low29.8Very low113 Ų113148.7 Ų148.779%0.7977%0.771SS**  trans64.8116.9159.833.90000120.9
1633T26.5Very low29.5Very low130 Ų130149 Ų14980%0.79877%0.774SS**  trans-36.3167.6144.449.60000117
1634P34Very low29.5Very low111 Ų111146 Ų14672%0.72178%0.776SS**  cis-135.1-161.8-7.329.9-6000113.7
1635S24.2Very low29.5Very low110 Ų110150.3 Ų150.377%0.76978%0.783SS**  trans88.8154.7154-59.80000117.3
1636P33.8Very low29.2Very low108 Ų108150.8 Ų150.870%0.70179%0.786SS**  trans-131.1-179.5-13943.4-28.9000116.6
1637H25.7Very low29.9Very low171 Ų171146.7 Ų146.779%0.79278%0.78SS**  trans69.1124.7148.8-93.6-57.2000120.4
1638R27.1Very low30Very low229 Ų229147 Ų14786%0.86478%0.78SS**  trans62125.4134.5-115.7-165177.2-168.1-0.1116.1
1639S27.3Very low30Very low82 Ų82147.9 Ų147.957%0.57378%0.777SS**  cis-179.3163.633.3-39.10000109.5
1640R29.9Very low30.2Very low248 Ų248148.9 Ų148.994%0.93678%0.782SS**  trans64.6155.7160.4-69.8170.2170.6170.9-5.1113.7
1641S29.9Very low30.2Very low101 Ų101147.1 Ų147.171%0.70678%0.782SS**  cis-150.8-179.8-4.9-159.90000106.7
1642T34.8Very low30.5Very low119 Ų119145.3 Ų145.373%0.7378%0.78SS**  cis-151-178.49.4-43.10000110
1643H29.7Very low30.7Very low179 Ų179145.2 Ų145.283%0.82977%0.774SS**  trans-64.1167.9165.4-56.3-109.2000112.7
1644A33Very low31Very low90 Ų90144.7 Ų144.774%0.74477%0.772SS**  cis-143.8-170.713.500000110.4
1645R33.1Very low30.9Very low237 Ų237144.8 Ų144.889%0.89477%0.77SS**  cis-158.3161.316.5-155.5177.7-170.5-179.82.7110.1
1646L23.8Very low31.2Very low161 Ų161145 Ų14584%0.84377%0.767SS**  trans-143.5-173.7173.9-67.9173.2000108.4
1647P44.5Very low31.2Very low109 Ų109146.3 Ų146.371%0.70877%0.768SS**  -129.8-179.5-72.741.2-26000112.9
1648L30.7Very low31.6Very low157 Ų157143.9 Ų143.982%0.82277%0.765SS**  trans-175.2137.7153.3-87.8138.1000105.9
1649N29.3Very low32Very low136 Ų136139.5 Ų139.573%0.72776%0.764SS**  cis79.7121.449.5-89.927.3000115.5
1650D32.6Very low32.2Very low157 Ų157139.7 Ų139.784%0.8477%0.77SS**  -173.9174.7124.8-89.7-18.6000111.9
1651N29.5Very low32.2Very low147 Ų147133.8 Ų133.879%0.78676%0.762SS**  trans-140-169.5-159.9-87-47.5000113.9
1652I33Very low32.3Very low156 Ų156135.6 Ų135.680%0.876%0.762SS**  trans95.7136.4164.2-53155.1000113
1653T31.7Very low32Very low111 Ų111137.5 Ų137.568%0.68177%0.765SS**  cis-154.3147.821.6-60000114.7
1654T32.5Very low31.9Very low120 Ų120133.3 Ų133.374%0.73676%0.756SS**  trans45.3158.3141.555.30000123.9
1655T31.9Very low31.8Very low112 Ų112135.5 Ų135.569%0.68776%0.76SS**  cis-163.216215.7-10.70000114.9
1656T32.3Very low31.4Very low114 Ų114132.3 Ų132.370%0.69976%0.757SS**  trans64.6153.1154.956.90000122.2
1657N33.6Very low31.5Very low137 Ų137131.5 Ų131.573%0.73375%0.754SS**  cis-165143.8-20.8-104.3-2.2000114.9
1658T34.4Very low30.9Very low120 Ų120131.9 Ų131.974%0.73676%0.759SS**  trans49.8136144.461.70000126
1659V33.9Very low31Very low137 Ų137129.1 Ų129.183%0.8375%0.75SS**  153.8121.7121.1165.70000116.5
1660A31.7Very low31Very low85 Ų85131.3 Ų131.370%0.70276%0.756SS**  trans57122.2145.500000127.9
1661T31Very low30.9Very low124 Ų124128.7 Ų128.776%0.76175%0.75SS**  88.9101.1125.8-59.40000124.2
1662I32.1Very low31Very low139 Ų139128.7 Ų128.771%0.71375%0.748SS**  trans19.7134.1131.6-0.4177000118.4
1663M28.3Very low30.7Very low160 Ų160128.7 Ų128.779%0.78875%0.745SS**  cis-150.8134.646.5-89.9-79.1-156.400116.8
1664S27.4Very low30.4Very low91 Ų91132.9 Ų132.964%0.63675%0.749SS**  trans39118.2130.2-51.20000120
1665T29.9Very low30.2Very low136 Ų136138 Ų13883%0.83476%0.757SS**  -159.1114.461.231.60000112.2
1666M24.6Very low29.9Very low170 Ų170141 Ų14184%0.83776%0.763SS**  trans-142.4143.2164.6-73.4-162.87400111.3
1667N27.4Very low29.7Very low144 Ų144139.7 Ų139.777%0.7776%0.764SS**  trans17.6135.9154.4-57.5-15.9000121.2
1668S30.5Very low29.7Very low116 Ų116138.8 Ų138.881%0.81177%0.765SS**  trans-50.6143.9171-171.40000114
1669P33.9Very low29.2Very low99 Ų99140.4 Ų140.464%0.64377%0.769SS**  trans-83149.9-179.836-38.6000114
1670E29.8Very low28.9Very low183 Ų183141.1 Ų141.186%0.85577%0.767SS**  54148123.4-60.2-175.615500122.6
1671S29.2Very low28.6Very low102 Ų102141.4 Ų141.471%0.71376%0.763SS**  cis-165.2-150.8-16.260.70000110.8
1672I31.3Very low28.4Very low146 Ų146140.4 Ų140.475%0.74976%0.761SS**  trans87.181.2173.3-48.3-177.5000117.1
1673H27.5Very low28.2Very low156 Ų156142.4 Ų142.472%0.72277%0.767SS**  trans68.1134.5131.5-79.6-82.5000124.2
1674Y24.7Very low28.1Very low199 Ų199138.6 Ų138.678%0.7876%0.756SS**  trans53.888.5156.8-70.6-70000119
1675Y29.1Very low28.1Very low229 Ų229139.7 Ų139.790%0.89876%0.759SS**  -163.5170.887.6-119-89.2000112.8
1676Q26.1Very low28Very low174 Ų174139.7 Ų139.781%0.81375%0.753SS**  trans-103.9109.4-160.7-179.5-179.9-0.200114.7
1677A27.3Very low28.1Very low87 Ų87139 Ų13972%0.71975%0.749SS**  trans59.3-175.9147.500000117.9
1678P32.9Very low28Very low117 Ų117136.9 Ų136.976%0.7675%0.746SS**  cis-123.7148.6-19.515.87.6000115.4
1679L25.4Very low27.9Very low154 Ų154136.5 Ų136.581%0.80674%0.739SS**  trans7138.3133.4-74.1169000121.7
1680I27.5Very low27.8Very low153 Ų153137.9 Ų137.979%0.78575%0.748SS**  trans100.4122.4137.5-71.5161.1000121.2
1681S24.6Very low27.7Very low90 Ų90137.5 Ų137.563%0.62974%0.739SS**  trans60.3107.5152.1-164.70000121.9
1682S26.9Very low27.6Very low103 Ų103140.8 Ų140.872%0.7274%0.736SS**  5127.9124.236.60000119.3
1683H27.9Very low27.6Very low181 Ų181138.8 Ų138.884%0.83872%0.723SS**  -151140.9129.1-125.6-72.6000113.6
1684S25.9Very low27.6Very low80 Ų80139.9 Ų139.956%0.55972%0.721SS**  trans-89.7165.116364.10000108.8
1685V28.9Very low27.9Very low114 Ų114135.8 Ų135.869%0.69171%0.708SS**  cis-160.6156.26.893.10000111.1
1686L26.9Very low27.9Very low136 Ų136130 Ų13071%0.71269%0.692SS**  trans38.4133.3159.9-66.2163.5000122.1
1687M26Very low28.2Very low155 Ų155128 Ų12876%0.76468%0.683SS**  -170.8132.4106.3-101.9-60.4142.200114.1
1688S25.7Very low28.4Very low100 Ų100130.1 Ų130.170%0.69968%0.683SS**  trans52.9133.5143.4-69.10000121.3
1689T29.5Very low28.5Very low108 Ų108127.5 Ų127.566%0.66368%0.676SS**  cis-142.6163.39.967.30000112
1690P31.6Very low28.9Very low129 Ų129131.5 Ų131.584%0.83868%0.681SS**  -131.2142116.936.3-30.9000113
1691R27.9Very low29.1Very low174 Ų174132.5 Ų132.566%0.65768%0.68SS**  trans-162.1105.6174.7-144.9-179.5-165.4-160.75.9114.8K264K264-R1691 PolarHBondContact NZ-O 3.3Å
1692R27.2Very low29.5Very low172 Ų172133.5 Ų133.565%0.64969%0.687SS**  trans65149.7155.3-64.6172.6-178.2-170.1-0.2117.8S263S263-R1692 PolarHBondContact OG-O 3.23Å
1693H30.7Very low29.7Very low103 Ų103134.5 Ų134.548%0.47768%0.68SS.*  cis-139.2160.55-105.4-60.5000110.3
1694R27.1Very low29.8Very low179 Ų179134 Ų13468%0.67567%0.672SS**  31.6137.597.9-61.3-174.8-170.2165.1-2.7115.9S261S261-R1694 PolarHBondContact OG-O 2.91Å
1695H31.7Very low30.1Very low113 Ų113140.2 Ų140.252%0.52368%0.684SS.*  cis-155.6118.1-2.9-109.4-70.6000105.2N260N260-H1695 CarbonylContact O-C 3.59Å; N260-H1695 VanDerWaalsContact O-C 3.3Å
1696L29.6Very low30.2Very low107 Ų107140.6 Ų140.656%0.5668%0.682SS**  67.694.568.2-159178.6000112.8D1698L1696-D1698 VanDerWaalsContact CD2-OD2 3.25Å; L1696-D1698 WeakPolarHBondContact CD2-OD2 3.11Å
1697Q32.1Very low30.5Very low132 Ų132141.1 Ų141.162%0.61769%0.686SS**  175.9120.7129.4-94.217320.800109.4H258H258-Q1697 VanDerWaalsContact CB-O 3.32Å; H258-Q1697 WeakPolarHBondContact CB-O 3.46Å
1698D31Very low30.8Very low133 Ų133138.1 Ų138.171%0.71167%0.673SS**  cis88.4126.838.8-67.8-48.3000115.7L1696L1696-D1698 VanDerWaalsContact CD2-OD2 3.25Å; L1696-D1698 WeakPolarHBondContact CD2-OD2 3.11Å
1699G34.2Very low31.1Very low61 Ų61141.4 Ų141.463%0.62967%0.67SS**  trans153.6141.8171.100000111.8
1700R33.7Very low31Very low238 Ų238146.4 Ų146.490%0.89868%0.682SS**  cis-137.1139.91.4-75.3-176-176.8-1751.1107.9
1701K33Very low30.9Very low175 Ų175146.9 Ų146.976%0.76167%0.673SS**  72.1123.955.7-71.4-173.6174.7-171.50114.6
1702S32.8Very low30.8Very low111 Ų111147.8 Ų147.878%0.77669%0.685SS**  trans-174153.8137.952.20000108.6
1703E30.8Very low31.1Very low124 Ų124145.5 Ų145.558%0.57969%0.69SS**  -165.7146.1-52.5-111.4160.9-170.900105.4
1704Y30.6Very low31Very low171 Ų171146.3 Ų146.367%0.67170%0.702SS**  173.7166.284.1-86-68.3000107.6
1705Y31.6Very low30.9Very low209 Ų209146 Ų14682%0.8271%0.711SS**  cis-138.3-159.21.7-130.4-50.5000109.5
1706L30.9Very low30.8Very low122 Ų122148.9 Ų148.964%0.63972%0.724SS**  trans-151.2136.5-172.1177.2148.7000112.6N1708L1706-N1708 VanDerWaalsContact CD2-OD1 3.31Å; L1706-N1708 WeakPolarHBondContact CD2-OD1 3.3Å
1707N32.3Very low30.7Very low148 Ų148151 Ų15179%0.79173%0.731SS**  trans-142.1114.7156.8-94.4-31.8000108.2
1708N33.2Very low30.4Very low92 Ų92148.8 Ų148.849%0.49274%0.736SS.*  84.8139.862.9-73.8-33.6000111.6L1706L1706-N1708 VanDerWaalsContact CD2-OD1 3.31Å; L1706-N1708 WeakPolarHBondContact CD2-OD1 3.3Å
1709R31.2Very low30.3Very low169 Ų169147.9 Ų147.964%0.63874%0.74SS**  cis-158.1159.1-0.5-121.8163.7-161.1-171.312.6110Q1711R1709-Q1711 HydrophobicContact CG-CG 4.34Å
1710K27.1Very low30Very low212 Ų212151.9 Ų151.992%0.92275%0.746SS**  trans-120.8132.5134.7-87.8-164.7173.6-1710107.3
1711Q30.5Very low29.9Very low140 Ų140147.6 Ų147.665%0.65474%0.739SS**  trans-108.9147.9163.1-77.4174.5-9300107.8R1709R1709-Q1711 HydrophobicContact CG-CG 4.34Å
1712Q26.4Very low29.7Very low193 Ų193145.3 Ų145.390%0.90274%0.74SS**  trans-135.4128.6161.4-168.517012.100105.7
1713V32Very low30Very low123 Ų123144 Ų14475%0.74573%0.729SS**  trans-108159.9178177.70000108.2
1714T28.5Very low30Very low121 Ų121147 Ų14774%0.74274%0.74SS**  trans-80.1150.1-164.944.10000114.9
1715M26Very low29.9Very low173 Ų173143.5 Ų143.585%0.85274%0.741SS**  trans33.6124.4147-67.4172.355.300120.2
1716Q29.7Very low29.6Very low172 Ų172141 Ų14180%0.80474%0.738SS**  -164.3-178.4116.1-107.4-174.8-80.300112.7
1717E28.3Very low29.5Very low151 Ų151139.8 Ų139.871%0.70673%0.733SS**  trans-40.1138.8-179-75.1100.9162.200115.7
1718A25.1Very low29.4Very low87 Ų87140.2 Ų140.272%0.71973%0.727SS**  82.8149.262.500000114
1719S27.9Very low29.1Very low114 Ų114143 Ų14380%0.79774%0.741SS**  trans70145.9-170.8-64.70000115.1
1720L29.5Very low29.1Very low145 Ų145142.7 Ų142.776%0.75975%0.751SS**  cis-156.9159.2-2.4-112.8162.5000110.5
1721I29.8Very low29.4Very low148 Ų148138.7 Ų138.776%0.75974%0.744SS**  trans78.1146.6154.8-67.2161.1000119.9
1722V28.5Very low29.8Very low126 Ų126137.2 Ų137.276%0.76475%0.747SS**  trans-144.4-171.7-177.4-129.70000105.6
1723P41.1Very low30Very low84 Ų84137.7 Ų137.755%0.54575%0.746SS.*  cis-133.9-157.3-2025.31.9000112.6
1724F29.8Very low29.9Very low187 Ų187142.8 Ų142.882%0.8275%0.752SS**  trans76.7162.3158.6-57.5-45.7000119.4
1725S27.6Very low29.9Very low98 Ų98142.6 Ų142.669%0.68576%0.755SS**  cis-174.8151.8-47-104.80000112.5
1726M26Very low30.3Very low155 Ų155142.1 Ų142.176%0.76476%0.755SS**  trans75.5150.4150.8-71.9-72.9-80.700123
1727D28.8Very low30.4Very low98 Ų98142 Ų14252%0.52475%0.754SS.*  trans78.1102.7146.3-82.1-9000125.1
1728K29.3Very low30.6Very low156 Ų156142.7 Ų142.768%0.67876%0.757SS**  77.7142.9115.3-73.4170.9-170131.80123.3
1729L26.9Very low31.1Very low150 Ų150146 Ų14679%0.78576%0.757SS**  trans62.9107.4143.5-72.6164.2000120
1730I33.3Very low31.3Very low164 Ų164152.5 Ų152.584%0.84177%0.774SS**  -179.9158107.3-91.5156.8000109.8
1731T32.1Very low31.4Very low128 Ų128152.9 Ų152.979%0.78578%0.775SS**  trans-116.3-165.8-175.164.20000111.4
1732P40.1Very low31.5Very low108 Ų108153.1 Ų153.170%0.70178%0.776SS**  -126.7169.9-111.536.6-17.5000115.4
1733K28.9Very low31.6Very low203 Ų203154.6 Ų154.688%0.88378%0.776SS**  trans-175.8161.3147.3-107.3149-170.2171.80115.6
1734R30.5Very low31.1Very low231 Ų231158.8 Ų158.887%0.87279%0.79SS**  trans65.5100.1159-74.8177.8173.1163-3.3119.4
1735S28Very low31.2Very low117 Ų117157 Ų15782%0.81879%0.788SS**  17.6120.4110.1-176.70000117.8
1736I34.5Very low31.4Very low163 Ų163160.9 Ų160.984%0.83680%0.795SS**  trans-153.6147.3146.4-101.6152.7000107.5
1737H31.6Very low31.8Very low170 Ų170161.4 Ų161.479%0.78780%0.797SS**  trans-67.3144.9169-85-45.3000110.7
1738H33.3Very low32Very low165 Ų165166.2 Ų166.276%0.76482%0.818SS**  -166.7170107.6-108.3-80.5000111.6
1739Q35.4Very low32.2Very low156 Ų156167.1 Ų167.173%0.72983%0.83SS**  trans-65.7140.4-167.1-53.1107.4-41.600113.6
1740H32.3Very low32.7Very low250 Ų250168.6 Ų168.6100%1.15783%0.834SS**  -151.10101.4-147.5-47.9000111.6

Retrieved 1,740 of 1,740 residues in 426 ms (Link to these results)