G4V8A8_SCHMA Loading...

Putative collagen alpha-1(V) chain

AlphaFold DB , UniProt , Accession G4V8A8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,780 aa.

>G4V8A8_SCHMA|G4V8A8
MKPHDNYQFTNKYNTYGFILISIFILSNICIIYTNGAATCIPSPNCTECTCMGIPGPKGDVGARGHVGRPGPVGQRGLPGPPGPEGERGIPGIPGDPGPKGIMGDKGVLGVPGVDGLKGAVGIKGPKGFPGEEGCCGAKGPKGLKGTQGSYGFDGLAGERGLKGPKGDKGEPAVVDGIDGVGETGPKGEKGELGPKGIRGRDGAKGQPGMAGPKGYQGLKGDRGEPGLKGEKGDTPSPISLPYAEPGEKGFKGEKGTSYDESALFKGQRTGVKGIKGLPGPRGDPGDEGPTGPRGSPGINGVPGTPGPIGDEGTMGKFGKPGAPGIPGPPGRLGQDGLPGPPGPAGFPGPKGDKGYSGTQGPKGEKGVKGETTDVDAMPGPDGDIGEPGVKGDRGDPGPYGPRGLPGGRGPRGDPGPKGDPGPGYAQVIIGEPGRKGEKGLPGLDGKRGKTGRPGIPGTKGEKGFPGREVYGRKGEKGSRGFPGPIGPPGDRGASGIPGPIGDQGEIGPSIDGPPGPKGVKGQPGLPGIRGREGDPGPAGEKGDCIVCPDGRPGLQGPKGFRGQPGIPGEPGLDGSPGQKGLPGAQGRDGLVGVPGQKGEKGERGNDGSRGPKGEPGPVEIVNVTVPEAPRGDVGRPGRAGVVGEQGPKGFPGPKGLPGPEGPKGDSGQPGLPGFSGTVGKPGRRGEPGRDGIVFDAQKGASGIPGRDGIKGEKGEKGDRGMDNIVDQIFEYIKGETGPKGYPGDKGLSGFPGEKGREGEKGIAGIPGKQGKPGFPGLQGAAGERGDKGFMGPKGPRGIPGPSGEPGRKGIKGLLGPKGLPGPAGDIGERGPSGLPGFSATGEKGEEGTQGFPGPPGRKGIPGIKGEKGVRGADGLPGLNGPKGEIGDRGPKGEIGEPGEVYQGMKGPKGIKGETGLPGVDGPKGDPGEDRFPTIAMKGLPGPSGPRGPEGPKGLPGNTGLPGRVGPSGPSGAPGSPGEKGDAGQPGTFGPKGLPGEPGDDGVEGPRGETGDEGPRGLPGSLGPKGLPGLMGPKGLPGEPGGIGVGVKGQKGLPGLKGIKGFPGEPGDDGIPGNKGLPGLAGVAEKGEKGEKGLKGAQGLPGIKGRPGQMGPLGEIGDPGPTGLIGEKGDHGVPGPAGRPGRNGIAGEPGDLGPRGLPGLPGPLGDKGEKGSRGTTDRLADVGPKGEKGQPGIVGPPGPKGLQGPKGGQGIQGISGKDGLPGQPGPMGPKGEKGVPGPPGPRGTEGQPGLKGPKGFVGPKGFPGSVGPPGERGPTGDRGELLRSPVGPKGERGLLGPPGAVGRKGEPGEPGARGAPGEVGEPGPDLFGAPGEKGSPGPTGRPGVPGMRGPKGVKGVSPREPGEPGQRGADGPPGIKGERGPKGFDGSIGRKGLPGLKGEQGAKGFPGKTGRPGEVGEKGDRGPTGLPGDKGSKGIKGEIGRPGLQGPKGDTAISVLGIKGEKGIRGDDGFMGPKGLPGIDGSPGAPGPRGEPGDVGEPSPVGPKGYPGPTGEKGFMGPEGPKGDVGPVGEQGAPGGIGDTRGNTGHLFTVHSQTARIPSCPSSTRKLWDGYSFLSMTGSDRAHVNDLASPGSCLQLFNPIPFMFCEKQENCYYAQRNDRSYWLSTEEEPMMWNPVPANETQRYISRCAVCEASSKLYAFHSQTLKIPKCPDGWSTLWPGSSFFMNTGYGAQGGGQQLASPGSCLPQFRSHMFIECTAKGLCGFFEEHKNFWLRVMPSSMDEHMFGMVMGTVIKVRNSQDSVGKCAVCMRTQPLSTLFYLN
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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
1M32Very low38Very low247 Ų247141.5 Ų141.5100%1.21770%0.701SS**  0149.20-70.3163.4168.600108.2
2K41.8Very low37.6Very low170 Ų170145 Ų14574%0.73971%0.709SS**  trans-84.3166.1156.9-99.9-166.9174.3-159.70108.3H4K2-H4 PolarHBondContact NZ-NE2 3.14Å
3P44.7Very low37.6Very low111 Ų111152 Ų15272%0.72173%0.726SS**  cis-142.3172.831.944.1-25.6000117.9
4H38Very low37.6Very low113 Ų113150 Ų15052%0.52372%0.721SS.*  7153.1129.5-62.1-93.7000119.9K2K2-H4 PolarHBondContact NZ-NE2 3.14Å
5D43.2Very low37.3Very low111 Ų111147.3 Ų147.359%0.59472%0.718SS**  cis-160.5151.616.6-135.820.9000118
6N39.3Very low37.5Very low94 Ų94153.3 Ų153.350%0.50373%0.733SS.*  trans60.1145.7135.6-98.5-44000128.1
7Y39.7Very low37.6Very low153 Ų153147.4 Ų147.460%0.672%0.721SS**  trans60.5142.1155.1-71.5-55.1000120.5V622Y7-V622 HydrophobicContact CE2-CG2 4.35Å
8Q34.7Very low37.5Very low146 Ų146151.3 Ų151.368%0.68274%0.735SS**  cis-154.1147.120.2-107.4-121.4-1000114.9
9F35.9Very low37.4Very low157 Ų157150.1 Ų150.169%0.68973%0.73SS**  trans65131.5139.6-92.3-123.4000126.8
10T35.2Very low37.5Very low108 Ų108149 Ų14966%0.66373%0.727SS**  trans75.9104.614342.90000124.8
11N34Very low37.6Very low147 Ų147149.6 Ų149.679%0.78673%0.732SS**  42.4116.1112.9-65.3-18.5000121.1
12K33Very low37.9Very low183 Ų183142.8 Ų142.880%0.79671%0.709SS**  177.9111.898.7-99.3-179.7179.5177.20114.3
13Y37.9Very low37.9Very low236 Ų236139.7 Ų139.793%0.92570%0.699SS**  trans-169.187.3149.4-86.7-69.8000104.7
14N37Very low37.6Very low124 Ų124143.6 Ų143.666%0.66371%0.705SS**  cis80.6130.241.9-154.342000113.6
15T33.6Very low37.4Very low109 Ų109143.4 Ų143.467%0.66971%0.707SS**  trans59.959.5161.947.30000119.1
16Y40.2Very low36.9Very low244 Ų244144.3 Ų144.396%0.95771%0.711SS**  -143.1131.8125.7-80.1-79.8000107.4
17G39.3Very low36.8Very low52 Ų52141.4 Ų141.454%0.53670%0.698SS.*  cis176.247.11.100000114.7I19G17-I19 VanDerWaalsContact C-N 3.26Å; G17-I19 PolarHBondContact O-N 3.19Å
18F34.9Very low36.5Very low219 Ų219140.6 Ų140.696%0.96170%0.704SS**  trans4620.4151.7-89.6-86.3000121.4
19I36.7Very low36.6Very low127 Ų127137 Ų13765%0.65169%0.689SS**  trans-132.4117.5159.6-64.291.4000108.1G17 I23G17-I19 VanDerWaalsContact C-N 3.26Å; G17-I19 PolarHBondContact O-N 3.19Å; I19-I23 HydrophobicContact CG2-CD1 3.73Å
20L39Very low36.5Very low128 Ų128133.9 Ų133.967%0.6769%0.686SS**SBendtrans167.2-33149.3-96.4161.6000112.7S22L20-S22 VanDerWaalsContact C-N 3.28Å; L20-S22 PolarHBondContact O-N 3.28Å
21I39.4Very low36.5Very low163 Ų163133.8 Ų133.884%0.83668%0.68SS**THydrogen-bonded Turntrans-80.4-9.7-179-64.5177.6000112.5
22S37.9Very low36.6Very low103 Ų103132.2 Ų132.272%0.7267%0.67SS**THydrogen-bonded Turntrans-97.211.5175-510000114.3L20L20-S22 VanDerWaalsContact C-N 3.28Å; L20-S22 PolarHBondContact O-N 3.28Å
23I41.8Very low36.7Very low105 Ų105133 Ų13354%0.53867%0.669SS.*SBendtrans-107.3-25.1-176.2-69.9177.1000112.8I19 I25I19-I23 HydrophobicContact CG2-CD1 3.73Å; I23-I25 VanDerWaalsContact C-N 3.29Å; I23-I25 PolarHBondContact O-N 2.61Å
24F38.7Very low36.6Very low193 Ų193127 Ų12785%0.84666%0.657SS**THydrogen-bonded Turntrans-85.24.7175-91.1-83.3000115
25I35.1Very low36.7Very low110 Ų110128.5 Ų128.556%0.56467%0.666SS**THydrogen-bonded Turntrans-131.157.7171.2-44.3179.3000109I23I23-I25 VanDerWaalsContact C-N 3.29Å; I23-I25 PolarHBondContact O-N 2.61Å
26L32.5Very low36.8Very low130 Ų130126.8 Ų126.868%0.68167%0.67SS**SBendtrans-168.632.9153.5-106.1165.1000117.9N606L26-N606 VanDerWaalsContact C-CB 3.46Å; L26-N606 HydrophobicContact CD2-CB 4.13Å
27S37.2Very low36.7Very low32 Ų32120.6 Ų120.622%0.22467%0.669CS.*  trans-137.3146.5154-165.40000114.2E603 N606S27-E603 VanDerWaalsContact CB-OE2 3.3Å; S27-E603 WeakPolarHBondContact CB-OE2 3.43Å; S27-E603 PolarHBondContact OG-OE2 3.02Å; S27-N606 VanDerWaalsContact C-OD1 3.25Å; S27-N606 PolarHBondContact O-ND2 3.42Å; S27-N606 PolarHBondContact O-OD1 2.73Å
28N31.8Very low36.4Very low136 Ų136123 Ų12373%0.72768%0.684SS**  trans108.154.4-173.6-66.5-82.6000120.1N606N28-N606 WeakPolarHBondContact CA-OD1 3.49Å; N28-N606 PolarHBondContact N-OD1 2.61Å; N28-N606 PolarHBondContact O-OD1 3.31Å
29I38.5Very low36.2Very low72 Ų72118.8 Ų118.837%0.36968%0.676SS.*SBendtrans-137.6146.3149.4-102.7-168.2000108.1R604 G605 D607I29-R604 CarbonylContact O-C 3.43Å; I29-G605 CarbonylContact C-O 3.47Å; I29-G605 WeakPolarHBondContact CA-O 2.87Å; I29-G605 WeakPolarHBondContact CB-O 3.48Å; I29-G605 VanDerWaalsContact CG2-O 3.28Å; I29-G605 WeakPolarHBondContact CG2-O 3.03Å; I29-G605 PolarHBondContact N-O 3.39Å; I29-G605 CarbonylContact O-C 3.44Å; I29-G605 PolarHBondContact O-N 2.9Å; I29-D607 HydrophobicContact CD1-CB 3.63Å; I29-D607 HydrophobicContact CG1-CB 4.39Å
30C32.1Very low35.7Very low91 Ų91118 Ų11862%0.61568%0.68SS**  trans29.998.3166.2-65.40000117.8R604C30-R604 VanDerWaalsContact O-CD 3.23Å; C30-R604 WeakPolarHBondContact O-CD 3.45Å; C30-R604 WeakPolarHBondContact O-CG 3.29Å
31I36.8Very low35.3Very low105 Ų105119.2 Ų119.254%0.53869%0.686SS.*  -149.3110.688.5-97.4160000111.7
32I35.2Very low35.2Very low115 Ų115117 Ų11759%0.5968%0.682SS**  trans32.4112.5137.7-21.3174.2000117.9
33Y34.5Very low34.8Very low198 Ų198117.4 Ų117.478%0.77669%0.685SS**  -176.2111.296.2-98.2-72.3000114.9
34T37.3Very low34.7Very low110 Ų110117.8 Ų117.868%0.67570%0.695SS**  trans65.7114.6150.3450000124
35N38.2Very low34.4Very low157 Ų157115.9 Ų115.984%0.8469%0.693SS**  trans80.2125.6137.5-57.2-13.7000120.5
36G36.6Very low34.1Very low73 Ų73115.9 Ų115.975%0.75370%0.702SS**  cis174-179.7-5.900000117.1
37A36.7Very low34Very low113 Ų113116 Ų11693%0.93471%0.708SS**  trans70.5108.7172.900000118.9
38A32.5Very low33.9Very low104 Ų104123.9 Ų123.986%0.8674%0.741SS**  trans-146.8161.8167.100000111.4
39T31.2Very low33.7Very low130 Ų130123.1 Ų123.180%0.79875%0.745SS**  trans-80.6145.9170.155.50000109.9
40C27.3Very low33.5Very low109 Ų109126.9 Ų126.974%0.73677%0.772SS**  cis-164.4157.748.8-73.50000113.7
41I30.7Very low33.3Very low155 Ų155128.2 Ų128.280%0.79578%0.781SS**  14.5141.2129.2-58.5167.3000118.1
42P36.4Very low33.2Very low115 Ų115132.6 Ų132.675%0.74780%0.801SS**  cis-138.3174.121.426.2-0.6000120.2
43S28.9Very low33.2Very low112 Ų112130.3 Ų130.378%0.78381%0.806SS**  trans-31.4174.4161.7-33.50000121.3
44P39.7Very low33.3Very low114 Ų114128.9 Ų128.974%0.7481%0.81SS**  cis-135.7173-340.3-22.5000118
45N32.6Very low33.4Very low153 Ų153129.2 Ų129.282%0.81881%0.814SS**  trans77.6119.5159-75.45.8000122.4
46C29.9Very low33.7Very low109 Ų109124.9 Ų124.974%0.73681%0.807SS**  trans78104.7152.2-63.30000121.1
47T29.5Very low34.1Very low132 Ų132127.5 Ų127.581%0.8181%0.81SS**  trans56.498.7132.458.50000120
48E34.7Very low34.4Very low199 Ų199132.2 Ų132.293%0.9381%0.81SS**  -163.7176.8105.3-111.6179.9-176.800111.9
49C28.6Very low35Very low120 Ų120130.3 Ų130.381%0.81180%0.8SS**  trans-119.2143.5-176.8-64.90000111.7
50T33.6Very low35.3Very low150 Ų150131.1 Ų131.192%0.9280%0.8SS**  trans-164.1158.3147.530000111.8
51C29.3Very low36.1Very low119 Ų119132.9 Ų132.980%0.80481%0.807SS**  trans-113.3151.2179.9-60.50000110.9
52M34.5Very low36.7Very low197 Ų197128.4 Ų128.497%0.9780%0.799SS**  176.4160.5122.2-92.3-179.9-158.700108.7
53G35.1Very low36.8Very low67 Ų67127.7 Ų127.769%0.69180%0.802SS**  trans-120.7-180-178.200000112.8
54I36Very low37.5Very low168 Ų168133.2 Ų133.286%0.86281%0.806SS**  trans-142.1-176.5139.3-10.9174.2000108.5
55P40.5Very low37.7Very low117 Ų117130.6 Ų130.676%0.7680%0.8SS**PPolyproline II helixtrans-97.9161.6-132.640.3-29.9000115.2
56G43.3Very low38Very low67 Ų67132.5 Ų132.569%0.69180%0.803SS**PPolyproline II helixtrans-71.6150.2171.600000113.1
57P46Very low38.7Very low127 Ų127132.9 Ų132.983%0.82580%0.802SS**PPolyproline II helixtrans-64.5150177.127.5-34.5000111.9G59P57-G59 PolarHBondContact O-N 2.97Å; P57-G59 VanDerWaalsContact O-N 3.07Å
58K41.4Very low39.4Very low213 Ų213129.4 Ų129.493%0.92679%0.792SS**  trans-53.4111.1178.7-172.4178.4-174.1177.30110.2
59G45.2Very low40Very low63 Ų63131.4 Ų131.465%0.64979%0.791SS**  trans-59.4147.1-176.900000112.7P57 V61P57-G59 PolarHBondContact O-N 2.97Å; P57-G59 VanDerWaalsContact O-N 3.07Å; G59-V61 PolarHBondContact O-N 3.44Å
60D37.5Very low41.2Very low147 Ų147131.5 Ų131.579%0.78679%0.79SS**  trans-48.2135.7169.5-78.4-33.3000109.8G62D60-G62 PolarHBondContact O-N 3.49Å
61V45.4Very low42Very low147 Ų147127 Ų12789%0.89177%0.774SS**  trans-61.9105.4172.3177.60000107.3G59 A63G59-V61 PolarHBondContact O-N 3.44Å; V61-A63 PolarHBondContact O-N 3.22Å
62G43.1Very low42.9Very low60 Ų60127.7 Ų127.762%0.61978%0.777SS**  trans-49.9131.8-175.500000110.6D60 R64D60-G62 PolarHBondContact O-N 3.49Å; G62-R64 PolarHBondContact O-N 2.89Å
63A38.7Very low43.9Very low100 Ų100125.1 Ų125.183%0.82677%0.772SS**  trans-46.7116.6-174.800000109.6V61 G65V61-A63 PolarHBondContact O-N 3.22Å; A63-G65 PolarHBondContact O-N 3.12Å
64R43.5Very low44.6Very low229 Ų229125.2 Ų125.286%0.86477%0.773SS**  trans-46.7106.9-171.3178.5-179.6-178.4169.51.6108.7G62 H66G62-R64 PolarHBondContact O-N 2.89Å; R64-H66 PolarHBondContact O-N 2.74Å
65G44.2Very low45Very low59 Ų59123 Ų12361%0.60876%0.759SS**  trans-50.8135.6-171.300000109.9A63 V67A63-G65 PolarHBondContact O-N 3.12Å; G65-V67 PolarHBondContact O-N 3.43Å
66H38.2Very low45.6Very low193 Ų193129 Ų12989%0.89477%0.766SS**  trans-45.1119.1179.6-83.3-76.5000108.7R64 G68R64-H66 PolarHBondContact O-N 2.74Å; H66-G68 PolarHBondContact O-N 2.73Å
67V45.3Very low46.1Very low117 Ų117129 Ų12971%0.70977%0.766SS**  trans-53.8113178.4177.80000106.2G65 R69G65-V67 PolarHBondContact O-N 3.43Å; V67-R69 PolarHBondContact O-N 3.46Å
68G43.7Very low46.1Very low58 Ų58130.6 Ų130.660%0.59877%0.767SS**PPolyproline II helixtrans-53.6135.4-178.600000108.3H66 P70H66-G68 PolarHBondContact O-N 2.73Å; G68-P70 WeakPolarHBondContact O-CD 3.08Å; G68-P70 VanDerWaalsContact O-N 3.12Å
69R46Very low47Very low242 Ų242126.1 Ų126.191%0.91376%0.759SS**PPolyproline II helixtrans-48126.3171-79.4-175.4171.9-173.4-3107.1V67 G71V67-R69 PolarHBondContact O-N 3.46Å; R69-G71 PolarHBondContact O-N 2.82Å
70P55.6Low47.1Very low121 Ų121126.1 Ų126.179%0.78676%0.759SS**PPolyproline II helixtrans-49132.3175.8-28.735.7000109.4G68G68-P70 WeakPolarHBondContact O-CD 3.08Å; G68-P70 VanDerWaalsContact O-N 3.12Å
71G49.9Very low47.4Very low57 Ų57125.2 Ų125.259%0.58876%0.762SS**PPolyproline II helixtrans-58145.7175.200000109.6R69 V73R69-G71 PolarHBondContact O-N 2.82Å; G71-V73 PolarHBondContact O-N 3.33Å
72P46.9Very low48.2Very low132 Ų132124 Ų12486%0.85776%0.757SS**PPolyproline II helixtrans-56.3130.4174.125.5-33.6000108.9G74P72-G74 PolarHBondContact O-N 3.08Å
73V56.3Low48.6Very low144 Ų144124.7 Ų124.787%0.87376%0.764SS**PPolyproline II helixtrans-64.6131.6178.8-178.70000108.2G71G71-V73 PolarHBondContact O-N 3.33Å
74G49.1Very low49.2Very low68 Ų68125.5 Ų125.570%0.70176%0.76SS**PPolyproline II helixtrans-61.8139.8179.500000111.5P72 R76P72-G74 PolarHBondContact O-N 3.08Å; G74-R76 PolarHBondContact O-N 2.82Å
75Q44.7Very low49.2Very low122 Ų122124.3 Ų124.357%0.5777%0.765SS**PPolyproline II helixtrans-57.3137.4177.4-82.2-167.6-43.800111.8P568 G569Q75-P568 VanDerWaalsContact CD-CG 3.49Å; Q75-P568 HydrophobicContact CG-CG 4.08Å; Q75-P568 VanDerWaalsContact OE1-CB 3.29Å; Q75-P568 VanDerWaalsContact OE1-CG 3.24Å; Q75-G569 PolarHBondContact NE2-O 3.23Å
76R54.7Low49.4Very low243 Ų243124.7 Ų124.792%0.91777%0.769SS**PPolyproline II helixtrans-84.9140.4165.2-148.4176.1-156.7178.35.1108.8G74G74-R76 PolarHBondContact O-N 2.82Å
77G52.9Low49.6Very low67 Ų67124.8 Ų124.869%0.69177%0.769SS**PPolyproline II helixtrans-62.1150.8178.400000112.8P79G77-P79 WeakPolarHBondContact O-CD 2.95Å
78L45Very low49.4Very low161 Ų161130.8 Ų130.884%0.84378%0.78SS**PPolyproline II helixtrans-65.9127.8179.3-68.6170.1000111.5
79P60.2Low49.6Very low118 Ų118131.3 Ų131.377%0.76679%0.785SS**PPolyproline II helixtrans-64.1143.1160.8-18.132.4000110.7G77G77-P79 WeakPolarHBondContact O-CD 2.95Å
80G48.9Very low49.5Very low63 Ų63128 Ų12865%0.64978%0.783SS**PPolyproline II helixtrans-69.9149.617300000112.1P82G80-P82 WeakPolarHBondContact O-CD 3.33Å
81P44.1Very low49.2Very low128 Ų128127.8 Ų127.883%0.83178%0.782SS**PPolyproline II helixtrans-76.3126.7-17529.6-34.2000112.7
82P61.8Low49.1Very low123 Ų123128.2 Ų128.280%0.79979%0.787SS**PPolyproline II helixtrans-65.6149.9162-18.533.4000111.4G80G80-P82 WeakPolarHBondContact O-CD 3.33Å
83G50.3Low48.8Very low73 Ų73130 Ų13075%0.75379%0.787SS**PPolyproline II helixtrans-75.6156.3-17700000114.4
84P51.4Low48.7Very low117 Ų117128.9 Ų128.976%0.7678%0.783SS**PPolyproline II helixtrans-97128.2-175.835.5-32.1000114.2
85E45Very low48.4Very low204 Ų204128.8 Ų128.895%0.95378%0.782SS**  trans-157.6136.2156.9-165.9168.2-141.400108.6
86G46.9Very low47.9Very low67 Ų67130.9 Ų130.969%0.69180%0.798SS**  cis-158.1162.9-8.500000110
87E43.8Very low48Very low195 Ų195125.3 Ų125.391%0.91179%0.792SS**  trans-67.1139.9-171.1-63.9-170.1145.500114.3
88R41.1Very low47.4Very low244 Ų244125.5 Ų125.592%0.92180%0.795SS**  trans-158.9116.6147.7-137.2172.4-63.8-170.94114.9
89G47.6Very low47.5Very low69 Ų69123.9 Ų123.971%0.71179%0.794SS**  trans71.2123.5149.500000117.9P91G89-P91 WeakPolarHBondContact O-CD 3.24Å
90I43.7Very low46.2Very low171 Ų171128.4 Ų128.488%0.87780%0.801SS**  trans-88.4114.8165-58.5170.1000108.6
91P49.7Very low45.9Very low117 Ų117128.5 Ų128.576%0.7680%0.803SS**PPolyproline II helixtrans-86.4144168.1-4.225.8000109.8G89G89-P91 WeakPolarHBondContact O-CD 3.24Å
92G46.7Very low45.3Very low67 Ų67130.4 Ų130.469%0.69180%0.804SS**PPolyproline II helixtrans-63.6159-166.100000116.6P94G92-P94 WeakPolarHBondContact O-CD 3.24Å
93I40.8Very low44.1Very low169 Ų169133.3 Ų133.387%0.86781%0.809SS**PPolyproline II helixtrans-52.5121.1174.3-57.7170.1000109.8G95I93-G95 PolarHBondContact O-N 3.38Å
94P53.6Low43.6Very low120 Ų120132.8 Ų132.878%0.77980%0.804SS**PPolyproline II helixtrans-63.4133.3174.4-22.634.5000111.6G92G92-P94 WeakPolarHBondContact O-CD 3.24Å
95G43.3Very low42.8Very low67 Ų67135.4 Ų135.469%0.69181%0.812SS**PPolyproline II helixtrans-90.1145.9176.400000112.9I93 P97I93-G95 PolarHBondContact O-N 3.38Å; G95-P97 VanDerWaalsContact O-CD 3.25Å; G95-P97 WeakPolarHBondContact O-CD 3.41Å
96D35Very low42.6Very low166 Ų166135.9 Ų135.989%0.88881%0.811SS**PPolyproline II helixtrans-60.1119.5-173.4-61.1-51.3000114.6
97P55.4Low42.4Very low125 Ų125136 Ų13681%0.81281%0.812SS**PPolyproline II helixtrans-78.3153.9166.8-14.732.8000112.7G95G95-P97 VanDerWaalsContact O-CD 3.25Å; G95-P97 WeakPolarHBondContact O-CD 3.41Å
98G41.7Very low42Very low72 Ų72133.7 Ų133.774%0.74281%0.811SS**  trans-81.2175.9-169.100000117.5
99P45.8Very low42.2Very low126 Ų126128.4 Ų128.482%0.81880%0.8SS**  trans-94.8162.3-169.436.6-36.7000116.4
100K34Very low41.9Very low213 Ų213125.6 Ų125.693%0.92677%0.771SS**  trans90.5139.2179.6-57.3177.1178.3-178.80114.8
101G41.4Very low41.6Very low66 Ų66120.8 Ų120.868%0.6875%0.75SS**  cis169.1175.6-8.700000115.3
102I31.8Very low41.5Very low167 Ų167120.5 Ų120.586%0.85675%0.748SS**  trans52.693.6159.548.1172.8000122.3
103M37.9Very low41.2Very low184 Ų184120.5 Ų120.591%0.90675%0.748SS**  64.8129.7111.2-168.4169.57100123.5
104G38.3Very low41Very low63 Ų63119 Ų11965%0.64975%0.747SS**  trans106.7143156.300000115.6
105D35.9Very low40.2Very low172 Ų172121 Ų12192%0.9275%0.751SS**  cis-156.6-179.1-14.2-101.9-44.7000110.8
106K41.2Very low39.9Very low213 Ų213121.3 Ų121.393%0.92675%0.753SS**  trans-99.6157.4-166.8-67.5-176.7177.5-178.40117.3
107G42.1Very low40Very low70 Ų70122.1 Ų122.172%0.72276%0.757SS**  trans152.6159.8140.900000116.8
108V35.1Very low38.9Very low147 Ų147125.8 Ų125.889%0.89176%0.76SS**  cis-151.2149.2-24.4-179.60000109.7
109L45.7Very low38.6Very low133 Ų133126.2 Ų126.270%0.69676%0.764SS**  trans-39.9164.4173.4-149.485.6000121.4V111 G1011L109-V111 HydrophobicContact CD2-CG1 4.41Å; L109-V111 HydrophobicContact CD2-CG2 4.06Å; L109-V111 HydrophobicContact CG-CG1 4.49Å; L109-G1011 CarbonylContact C-O 3.01Å
110G40.4Very low38.1Very low10 Ų10125.2 Ų125.210%0.10377%0.767CS.*  trans-156.4169.413300000112.5G1011 D1012G110-G1011 PolarHBondContact N-O 2.8Å; G110-G1011 CarbonylContact O-C 3.51Å; G110-G1011 WeakPolarHBondContact O-CA 3.39Å; G110-G1011 PolarHBondContact O-N 3.08Å; G110-G1011 VanDerWaalsContact O-N 3.12Å; G110-D1012 PolarHBondContact O-N 3.5Å
111V36.8Very low38.2Very low69 Ų69122.2 Ų122.242%0.41877%0.766SS.*  trans-159.4-168.1-171.1-78.10000111.2L109 T1010L109-V111 HydrophobicContact CD2-CG1 4.41Å; L109-V111 HydrophobicContact CD2-CG2 4.06Å; L109-V111 HydrophobicContact CG-CG1 4.49Å; V111-T1010 VanDerWaalsContact O-CG2 3.23Å; V111-T1010 WeakPolarHBondContact O-CG2 3.48Å; V111-T1010 PolarHBondContact O-OG1 3.01Å
112P48.6Very low37.9Very low112 Ų112122.5 Ų122.573%0.72777%0.769SS**  -133.1-178.2-76.542.9-26.4000114.7
113G40.2Very low38Very low67 Ų67123.2 Ų123.269%0.69177%0.773SS**  trans161.8166.2159.100000116.7
114V37.1Very low38Very low138 Ų138124 Ų12484%0.83677%0.771SS**  cis-157.5147.7-17.3-107.70000111.5
115D35.7Very low38.2Very low161 Ų161124 Ų12486%0.86177%0.772SS**  trans29131.6153-62.6-7.5000124.1
116G37.5Very low38.4Very low73 Ų73122.3 Ų122.375%0.75377%0.77SS**  136.8111.7115.100000119.5
117L38.2Very low38.1Very low184 Ų184121.6 Ų121.696%0.96377%0.767SS**  -168.7157.2128.7-107.3170.3000111.5
118K32.4Very low38.3Very low201 Ų201121 Ų12187%0.87476%0.76SS**  trans-122.3138.8-175.3-77.7179177.2171.60112.7
119G34.8Very low38.5Very low81 Ų81123.4 Ų123.484%0.83576%0.759SS**  trans102.4125.6130.200000118.7
120A36Very low37.9Very low105 Ų105123.2 Ų123.287%0.86877%0.765SS**  trans-135.6147.8146.500000107.7
121V36.1Very low37.5Very low151 Ų151126 Ų12692%0.91580%0.795SS**  trans-101.9146.5-167.8-179.80000111.4
122G33.8Very low37.7Very low72 Ų72132.3 Ų132.374%0.74282%0.82SS**  trans-74.9175.2-163.500000117.3
123I34.9Very low36.9Very low181 Ų181136.6 Ų136.693%0.92883%0.83SS**PPolyproline II helixtrans-92.2145.2175.5-45.2179.1000109.9
124K37.1Very low36.5Very low201 Ų201136.9 Ų136.987%0.87483%0.833SS**PPolyproline II helixtrans-87.1131.4-163.2-168.4175.5-175.3175.10112.5
125G41.8Very low36.3Very low64 Ų64136.8 Ų136.866%0.6684%0.837SS**PPolyproline II helixtrans-73.8144.9176.900000113.9K127G125-K127 PolarHBondContact O-N 3.49Å; G125-K127 VanDerWaalsContact O-N 3.09Å
126P39.9Very low36.3Very low135 Ų135135.7 Ų135.788%0.87784%0.84SS**  trans-77.594.4177.330.7-33.7000112.5
127K36.8Very low35.9Very low199 Ų199135.6 Ų135.687%0.86584%0.839SS**  trans33.8115.7139.2-159.4-178.6-173.6-173.10118.6G125G125-K127 PolarHBondContact O-N 3.49Å; G125-K127 VanDerWaalsContact O-N 3.09Å
128G45.4Very low35.4Very low56 Ų56131.6 Ų131.658%0.57783%0.833SS**  trans-103.8169.7164.700000114.1
129F39.2Very low35.4Very low198 Ų198132.1 Ų132.187%0.86884%0.835SS**  trans69154.2175.1-49.7-70.2000115.2
130P34.3Very low35.4Very low129 Ų129131.4 Ų131.484%0.83883%0.827SS**  cis-81-178.716.7-7.727.9000114.3
131G32.1Very low35.8Very low70 Ų70132 Ų13272%0.72282%0.822SS**  cis123.3129.29.200000110.5
132E39.2Very low35.8Very low201 Ų201134.7 Ų134.794%0.93982%0.822SS**  trans-91.7123.2-168.5-66.7-172.3152.500114.6
133E32.7Very low35.9Very low201 Ų201134.4 Ų134.494%0.93982%0.819SS**  trans-143154.4154.7-67.7-171.6149.300107
134G32.7Very low35.9Very low73 Ų73133.4 Ų133.475%0.75382%0.815SS**  cis-174.8158.2-2.800000109.5
135C31.9Very low35.7Very low136 Ų136132.9 Ų132.992%0.91981%0.813SS**  trans-78.6127.8-169.3-67.40000114.7
136C35.4Very low35.4Very low139 Ų139133.2 Ų133.294%0.93982%0.816SS**  trans-155.1148.7151.2-99.50000110.1
137G28.6Very low35.4Very low70 Ų70134.1 Ų134.172%0.72282%0.819SS**  cis151.858.8-1.100000114.4
138A28.6Very low35.2Very low101 Ų101133.9 Ų133.984%0.83582%0.821SS**  trans54.2124.2165.300000120.4
139K32.9Very low35.1Very low211 Ų211134.4 Ų134.492%0.91783%0.826SS**  trans-161.5127.1138-115.8168.9-173.1173.30113.1
140G34.9Very low35.1Very low66 Ų66129.7 Ų129.768%0.6882%0.818SS**  trans-118.5-148.7146.900000107.8
141P44.2Very low35.6Very low117 Ų117133.2 Ų133.276%0.7682%0.816SS**  cis-133.2-149.5-15.540.8-22.1000111.2
142K36.4Very low36.1Very low208 Ų208132.9 Ų132.990%0.90481%0.813SS**  trans85.6141.1175.2-51.9175.3-179.2178.40115.6
143G34.8Very low36Very low66 Ų66131.6 Ų131.668%0.6880%0.804SS**  cis129.8151.1-18.200000116.5
144L34.3Very low36.4Very low161 Ų161128.7 Ų128.784%0.84380%0.795SS**  trans77.5147.2176.9-48.4173.4000114.7
145K33.3Very low36.7Very low190 Ų190128.3 Ų128.383%0.82679%0.791SS**  cis-162.2155.6-3.2-131.6172.9-179.2-178.20112.6
146G35.3Very low36.9Very low71 Ų71129.1 Ų129.173%0.73279%0.786SS**  trans67.9151.313700000120
147T41.4Very low36.8Very low153 Ų153127.1 Ų127.194%0.93978%0.779SS**  cis-132.1-136.117.955.70000114.2
148Q31Very low37Very low194 Ų194127.4 Ų127.491%0.90778%0.782SS**  trans-159.4146.8-132.7172.1-176.5-15.900116.3
149G45.1Very low37.3Very low67 Ų67127 Ų12769%0.69176%0.763SS**  trans122.1156.2153.800000116.8
150S37.9Very low37.7Very low100 Ų100126.9 Ų126.970%0.69976%0.757SS**  cis-168.8149.8-15.950.80000112.8
151Y45.8Very low37.8Very low203 Ų203127.1 Ų127.180%0.79676%0.759SS**  trans61.5150.5169.1-58.5-68.3000119F153Y151-F153 HydrophobicContact CD1-CD2 4.19Å; Y151-F153 AromaticContact CD1-CE2 3.47Å; Y151-F153 HydrophobicContact CD1-CE2 3.47Å; Y151-F153 VanDerWaalsContact CD1-CE2 3.47Å; Y151-F153 AromaticContact CD1-CZ 3.94Å; Y151-F153 HydrophobicContact CD1-CZ 3.94Å; Y151-F153 AromaticContact CE1-CE2 3.72Å; Y151-F153 HydrophobicContact CE1-CE2 3.72Å; Y151-F153 HydrophobicContact CE1-CZ 4.09Å
152G41.7Very low37.9Very low63 Ų63129 Ų12965%0.64976%0.762SS**  cis151.3154-500000110.3
153F37.3Very low37.8Very low174 Ų174129 Ų12976%0.76376%0.762SS**  cis-165.2159-7.9-84.8-56.5000107.9Y151Y151-F153 HydrophobicContact CD1-CD2 4.19Å; Y151-F153 AromaticContact CD1-CE2 3.47Å; Y151-F153 HydrophobicContact CD1-CE2 3.47Å; Y151-F153 VanDerWaalsContact CD1-CE2 3.47Å; Y151-F153 AromaticContact CD1-CZ 3.94Å; Y151-F153 HydrophobicContact CD1-CZ 3.94Å; Y151-F153 AromaticContact CE1-CE2 3.72Å; Y151-F153 HydrophobicContact CE1-CE2 3.72Å; Y151-F153 HydrophobicContact CE1-CZ 4.09Å
154D41.6Very low38.5Very low139 Ų139128.7 Ų128.774%0.74376%0.759SS**  cis-132.8-80-18.7-177.673.7000110.8
155G39.1Very low38.8Very low65 Ų65127.6 Ų127.667%0.6776%0.762SS**  cis166.6112.2-15.600000111.3
156L35.3Very low38.9Very low154 Ų154127.4 Ų127.481%0.80676%0.761SS**  cis-148.1151.88.4-82170000113
157A33.7Very low39.2Very low96 Ų96126.7 Ų126.779%0.79375%0.754SS**  trans50.4155.6138.900000123.6
158G31.7Very low39Very low76 Ų76125.9 Ų125.978%0.78474%0.744SS**  trans73.4108.8155.600000116.6
159E35.3Very low39.2Very low93 Ų93125.1 Ų125.144%0.43574%0.737SS.*  cis-159.7140.612.1-92.8-159.2122.100111.7K649E159-K649 PolarHBondContact O-NZ 3.09Å; E159-K649 WeakPolarHBondContact OE2-CE 3.47Å; E159-K649 IonicContact OE2-NZ 2.77Å; E159-K649 PolarHBondContact OE2-NZ 2.84Å
160R41.3Very low38.6Very low209 Ų209125.4 Ų125.479%0.78974%0.74SS**SBend33.4105.9120.2-144.5173.9-67.2164.81.9115.8K649R160-K649 PolarHBondContact O-NZ 2.8Å
161G38.4Very low38.4Very low71 Ų71129.4 Ų129.473%0.73275%0.748SS**SBendcis-134.169.5-1.300000111.8
162L46.3Very low38.2Very low155 Ų155125.8 Ų125.881%0.81275%0.749SS**  trans-66.4167.3175.4-67165.3000112.5
163K32.4Very low37.9Very low208 Ų208126.7 Ų126.790%0.90475%0.75SS**  trans79.6114.6159.6-156.7177.1-175.1178.50115.6
164G49.4Very low37.9Very low61 Ų61125 Ų12563%0.62975%0.753SS**  trans-85.4164.5165.200000112.3K166G164-K166 PolarHBondContact O-N 2.69Å
165P41Very low37.6Very low138 Ų138124.4 Ų124.490%0.89676%0.755SS**  trans-77.1111.4177.330.5-32.7000111.5
166K35.1Very low37.5Very low185 Ų185128.7 Ų128.780%0.80476%0.762SS**  trans-75.5134.8158.2175.7176176.7175.40107.9G164G164-K166 PolarHBondContact O-N 2.69Å
167G43.3Very low37.6Very low57 Ų57124.5 Ų124.559%0.58876%0.757SS**  trans-88-177.7173.600000113.6
168D36.1Very low37.9Very low136 Ų136127.6 Ų127.673%0.72776%0.758SS**  trans-120.8139.4179.1-78.1-57.2000109.4
169K36.1Very low38.4Very low178 Ų178131.8 Ų131.877%0.77476%0.763SS**  cis9815142.8-81.8-168.3-158.8166.30112
170G32.1Very low38.7Very low72 Ų72129.7 Ų129.774%0.74277%0.766SS**  cis175.6-157.1-2.500000115.8
171E33.2Very low38.6Very low185 Ų185127.4 Ų127.486%0.86478%0.775SS**  trans-49.8161.8174.1-107154-154.200115.7
172P41.4Very low38.7Very low127 Ų127127.1 Ų127.183%0.82577%0.772SS**  -144.9-176.367.132.3-10000116.4
173A35Very low38.5Very low81 Ų81124.1 Ų124.167%0.66975%0.754SS**  cis-179.9-155.3-35.300000108.4
174V37.4Very low39Very low138 Ų138117 Ų11784%0.83673%0.728SS**  trans79101.3172.1-172.90000112.7
175V35.4Very low39.1Very low128 Ų128115.5 Ų115.578%0.77671%0.712SS**  cis-139162.727.9-163.30000113.3
176D38.3Very low39.3Very low154 Ų154114 Ų11482%0.82470%0.703SS**  trans-67.2-176.8171.3-44.2-98.6000114
177G36.4Very low39.8Very low67 Ų67113.5 Ų113.569%0.69170%0.701SS**  cis179.1-155.411.700000108.2
178I40Very low39.5Very low161 Ų161113.4 Ų113.483%0.82670%0.7SS**  cis-175.1152.5-26.937.2167.5000105.1
179D41.8Very low39.3Very low163 Ų163113.1 Ų113.187%0.87269%0.694SS**  cis-147.1-158.8-15.4-146.7-125.5000106.7
180G42.8Very low39.8Very low49 Ų49114.6 Ų114.651%0.50570%0.7SS.*  cis170.9-179.85.700000111.7
181V38.8Very low39.8Very low161 Ų161114.4 Ų114.498%0.97670%0.698SS**  trans68.9150.6172.5-174.40000115.3
182G41Very low39.5Very low65 Ų65110 Ų11067%0.6768%0.678SS**  cis-176.2-161.5-1.100000112.7
183E40.5Very low39.3Very low92 Ų92108.6 Ų108.643%0.4366%0.662SS.*  trans-137.6179.2177.5-55.6-177.7-50.900111.4V428 I429 I430E183-V428 WeakPolarHBondContact OE1-CA 3.02Å; E183-V428 PolarHBondContact OE1-N 3.1Å; E183-I429 PolarHBondContact OE1-N 3Å; E183-I429 VanDerWaalsContact OE1-N 3.15Å; E183-I430 PolarHBondContact O-N 3.35Å
184T44.2Very low39.6Very low58 Ų58107.8 Ų107.836%0.35666%0.662SS.*  cis-149.4179.521.3250000109.8I429 I430 G431T184-I429 HydrophobicContact CG2-CG1 4.2Å; T184-I430 VanDerWaalsContact OG1-CA 3.31Å; T184-I430 WeakPolarHBondContact OG1-CA 3.17Å; T184-I430 PolarHBondContact OG1-N 2.84Å; T184-G431 PolarHBondContact OG1-N 2.97Å; T184-G431 VanDerWaalsContact OG1-N 3.12Å
185G52.1Low39.3Very low30 Ų30105.9 Ų105.931%0.30965%0.653SS.*  cis104.7149.44.900000114.3E432G185-E432 VanDerWaalsContact CA-OE1 3.26Å; G185-E432 WeakPolarHBondContact CA-OE1 3.5Å; G185-E432 WeakPolarHBondContact O-CB 3.32Å
186P45.3Very low39.3Very low107 Ų107103.7 Ų103.770%0.69563%0.633SS**  cis-141.4175.4-2.743.2-25000118.3E432P186-E432 WeakPolarHBondContact CA-OE1 3.04Å; P186-E432 VanDerWaalsContact N-OE1 3.09Å
187K43.6Very low39.5Very low175 Ų175100.4 Ų100.476%0.76164%0.635SS**  trans104.3125.9147.8-155.6171.3-170.9173.60118R435K187-R435 PolarHBondContact O-NE 3.02Å; K187-R435 PolarHBondContact O-NH2 3.07Å
188G37Very low39.6Very low55 Ų55102.9 Ų102.957%0.56763%0.631SS**  trans88.7135.4179.700000112.3
189E32.6Very low39.8Very low130 Ų130101.5 Ų101.561%0.60762%0.615SS**  cis-122.2-153.612.6-76157.413500112.3
190K47.6Very low39.7Very low209 Ų20997.4 Ų97.491%0.90961%0.612SS**  trans-135.7137.2-172.1179.6-173.5176.4-172.30110.5
191G31.2Very low39.9Very low67 Ų67101.4 Ų101.469%0.69161%0.612SS**  trans103.5155-15300000108
192E27.5Very low40.2Very low93 Ų93101.3 Ų101.344%0.43561%0.606SS.*  cis-126.3-16332.8-123.1167.9-170.700110.7K196E192-K196 IonicContact OE1-NZ 2.78Å; E192-K196 PolarHBondContact OE1-NZ 2.96Å; E192-K196 VanDerWaalsContact OE2-CD 3.29Å; E192-K196 WeakPolarHBondContact OE2-CD 3.34Å; E192-K196 WeakPolarHBondContact OE2-CE 3.07Å; E192-K196 IonicContact OE2-NZ 2.72Å; E192-K196 PolarHBondContact OE2-NZ 3.27Å
193L37Very low40.3Very low97 Ų97101.9 Ų101.951%0.50861%0.612SS.*SBend41.8158.365.8-139.4140.2000112.9P195 E661L193-P195 WeakPolarHBondContact O-CD 3.41Å; L193-P195 VanDerWaalsContact O-CG 3.25Å; L193-P195 WeakPolarHBondContact O-CG 3.23Å; L193-E661 WeakPolarHBondContact CA-OE2 3.27Å; L193-E661 WeakPolarHBondContact CB-OE1 3.44Å; L193-E661 VanDerWaalsContact CB-OE2 3.24Å; L193-E661 WeakPolarHBondContact CB-OE2 3.33Å; L193-E661 WeakPolarHBondContact CD1-OE2 3.33Å; L193-E661 WeakPolarHBondContact CG-OE2 3.46Å; L193-E661 VanDerWaalsContact N-CD 3.26Å; L193-E661 PolarHBondContact N-OE1 3.2Å; L193-E661 PolarHBondContact N-OE2 2.82Å
194G40.6Very low40Very low64 Ų64102.3 Ų102.366%0.6663%0.631SS**SBendtrans-55.6105.8172.300000110.2K196G194-K196 PolarHBondContact O-N 3.35Å
195P32Very low39.6Very low99 Ų99109.9 Ų109.964%0.64366%0.659SS**  trans-79.1117.3-161-11.726.8000110.5L193 G197L193-P195 WeakPolarHBondContact O-CD 3.41Å; L193-P195 VanDerWaalsContact O-CG 3.25Å; L193-P195 WeakPolarHBondContact O-CG 3.23Å; P195-G197 PolarHBondContact O-N 3.43Å; P195-G197 VanDerWaalsContact O-N 3.1Å
196K34.2Very low39.2Very low82 Ų82112.2 Ų112.236%0.35768%0.683SS.*  33.676.5124-83.5174.5-177.11370114.7E192 G194 I198E192-K196 IonicContact OE1-NZ 2.78Å; E192-K196 PolarHBondContact OE1-NZ 2.96Å; E192-K196 VanDerWaalsContact OE2-CD 3.29Å; E192-K196 WeakPolarHBondContact OE2-CD 3.34Å; E192-K196 WeakPolarHBondContact OE2-CE 3.07Å; E192-K196 IonicContact OE2-NZ 2.72Å; E192-K196 PolarHBondContact OE2-NZ 3.27Å; G194-K196 PolarHBondContact O-N 3.35Å; K196-I198 HydrophobicContact CB-CD1 3.92Å; K196-I198 HydrophobicContact CB-CG1 3.81Å; K196-I198 HydrophobicContact CD-CD1 4.15Å; K196-I198 HydrophobicContact CG-CD1 4.27Å; K196-I198 HydrophobicContact CG-CG1 4.5Å; K196-I198 VanDerWaalsContact O-CG1 3.24Å; K196-I198 WeakPolarHBondContact O-CG1 3.25Å; K196-I198 PolarHBondContact O-N 3.24Å; K196-I198 VanDerWaalsContact O-N 3.13Å
197G42.5Very low38.9Very low84 Ų84116 Ų11687%0.86669%0.691SS**  trans-62.2109.5151.200000108.1P195P195-G197 PolarHBondContact O-N 3.43Å; P195-G197 VanDerWaalsContact O-N 3.1Å
198I40.3Very low38.5Very low120 Ų120114.3 Ų114.362%0.61570%0.698SS**  trans-141.6146.1178.614171.8000112.6K196K196-I198 HydrophobicContact CB-CD1 3.92Å; K196-I198 HydrophobicContact CB-CG1 3.81Å; K196-I198 HydrophobicContact CD-CD1 4.15Å; K196-I198 HydrophobicContact CG-CD1 4.27Å; K196-I198 HydrophobicContact CG-CG1 4.5Å; K196-I198 VanDerWaalsContact O-CG1 3.24Å; K196-I198 WeakPolarHBondContact O-CG1 3.25Å; K196-I198 PolarHBondContact O-N 3.24Å; K196-I198 VanDerWaalsContact O-N 3.13Å
199R43Very low38.4Very low131 Ų131115 Ų11549%0.49471%0.705SS.*  trans86.1139.7170.5-129.9158.1174.2-124.5-9.2113.7R201 P433 G434R199-R201 VanDerWaalsContact CG-N 3.34Å; R199-P433 VanDerWaalsContact CZ-O 3.29Å; R199-P433 PolarHBondContact NH1-O 2.83Å; R199-P433 PolarHBondContact NH2-O 3.07Å; R199-G434 PolarHBondContact NE-O 2.85Å
200G39.6Very low38.6Very low77 Ų77118 Ų11879%0.79472%0.722SS**  cis-57.9153.619.900000121.1
201R47.6Very low38.1Very low133 Ų133113.3 Ų113.350%0.50272%0.721SS.*  trans-84.2163150.4-100.8-172.7-172.2150.19.3106.3R199 R435 K436R199-R201 VanDerWaalsContact CG-N 3.34Å; R201-R435 PolarHBondContact NH2-O 2.94Å; R201-K436 PolarHBondContact NH2-O 3.26Å; R201-K436 VanDerWaalsContact NH2-O 3.1Å
202D44.2Very low38.7Very low160 Ų160113.4 Ų113.486%0.85672%0.722SS**  cis-132.1-178.146.2-77.6-50.6000115.5
203G44.4Very low39.3Very low77 Ų77115.1 Ų115.179%0.79474%0.742SS**  trans126.870.317000000114.8
204A33.1Very low39.3Very low100 Ų100120.5 Ų120.583%0.82676%0.761SS**  trans-101.7112.1170.200000111.4
205K36.5Very low39Very low217 Ų217120.4 Ų120.494%0.94376%0.76SS**  trans-177.5154.6160.3-105.4160.5-174.6178.10109.7
206G42.5Very low39.1Very low79 Ų79125.3 Ų125.381%0.81477%0.767SS**  trans116.2105.9165.600000115.6
207Q39.1Very low39.2Very low188 Ų188128.3 Ų128.388%0.87978%0.783SS**  trans-59.7151.9178.7-59.9143.8-36.200114.2
208P35.2Very low39Very low138 Ų138126 Ų12690%0.89676%0.759SS**  trans-80.4122.3165.731.9-31.8000112.1
209G35.6Very low38.9Very low70 Ų70126.5 Ų126.572%0.72276%0.762SS**  trans174.5148.1170.800000110.5
210M37.5Very low38.7Very low194 Ų194127.7 Ų127.796%0.95677%0.771SS**  cis-136.5155.70.3-65.3-178.4173.700110.1
211A36.8Very low38.5Very low109 Ų109126.4 Ų126.490%0.90176%0.757SS**  trans-79.2145.2165.600000111.6
212G43.5Very low38.3Very low69 Ų69125.9 Ų125.971%0.71177%0.765SS**  trans-169.4156.1172.600000111.5
213P39.9Very low38.1Very low130 Ų130129 Ų12984%0.84476%0.764SS**  cis-106.7153.720.138.3-33.6000115.3
214K36.8Very low37.7Very low209 Ų209128.7 Ų128.791%0.90976%0.761SS**  trans-64.9150.3156.6-57.7164.5-176.61730108.5
215G35.4Very low37.5Very low62 Ų62132 Ų13264%0.63976%0.76SS**  cis123.2153.75.200000111.2
216Y34.3Very low37.9Very low202 Ų202127.3 Ų127.379%0.79275%0.752SS**  trans-129.588.1167.6-88.8-71.5000110.7S296 P297Y216-S296 WeakPolarHBondContact O-CB 3.27Å; Y216-S296 PolarHBondContact O-OG 2.62Å; Y216-P297 WeakPolarHBondContact O-CD 3.41Å
217Q36.2Very low37.4Very low146 Ų146126.9 Ų126.968%0.68275%0.747SS**  trans-130.7122.9148.4-163.9169.224.600108.3R294 S296Q217-R294 PolarHBondContact NE2-O 3.35Å; Q217-S296 VanDerWaalsContact CA-OG 3.31Å; Q217-S296 WeakPolarHBondContact CA-OG 3.2Å
218G37.9Very low37.5Very low36 Ų36126.7 Ų126.737%0.37175%0.751SS.*  trans163.5148.9-169.500000109.7R294G218-R294 PolarHBondContact O-NE 2.95Å; G218-R294 VanDerWaalsContact O-NE 3.12Å; G218-R294 PolarHBondContact O-NH2 2.66Å
219L37.8Very low37.4Very low129 Ų129130.1 Ų130.168%0.67575%0.752SS**  cis-105.3131.67.4-66158.5000112.4R294L219-R294 VanDerWaalsContact O-CD 3.26Å; L219-R294 WeakPolarHBondContact O-CD 3.21Å; L219-R294 PolarHBondContact O-NH1 2.63Å
220K38.4Very low37.1Very low156 Ų156130.1 Ų130.168%0.67875%0.752SS**  13.7135.5114.4178-179.2179.1-72.50117.7D222K220-D222 WeakPolarHBondContact CE-OD1 3.43Å; K220-D222 IonicContact NZ-OD1 2.6Å; K220-D222 PolarHBondContact NZ-OD1 3.12Å; K220-D222 IonicContact NZ-OD2 2.82Å; K220-D222 PolarHBondContact NZ-OD2 3.33Å
221G36.4Very low37.1Very low50 Ų50130.4 Ų130.452%0.51575%0.751SS.*  trans172.5118.615300000109.8
222D43.4Very low36.7Very low123 Ų123134.3 Ų134.366%0.65875%0.748SS**  cis-148.2-171.2-17.4-128.1-58.4000111.7K220K220-D222 WeakPolarHBondContact CE-OD1 3.43Å; K220-D222 IonicContact NZ-OD1 2.6Å; K220-D222 PolarHBondContact NZ-OD1 3.12Å; K220-D222 IonicContact NZ-OD2 2.82Å; K220-D222 PolarHBondContact NZ-OD2 3.33Å
223R39.6Very low36.1Very low224 Ų224134.1 Ų134.185%0.84575%0.746SS**  trans-93.3143.4176.3-81.1-179172.3174-6.2112.8
224G35.2Very low35.8Very low71 Ų71134.2 Ų134.273%0.73274%0.74SS**  trans-168.593155.500000108.5
225E30.3Very low35.6Very low169 Ų169129.8 Ų129.879%0.7973%0.73SS**  89.4148.869.6-71.6-95.3124.500112
226P43.3Very low35.7Very low120 Ų120132.8 Ų132.878%0.77974%0.738SS**  trans-117.7164.5-14440.8-31.5000116.2
227G33.1Very low35.7Very low70 Ų70127.1 Ų127.172%0.72273%0.728SS**  trans-173.7151.2164.400000111.4
228L40.7Very low35.7Very low184 Ų184126 Ų12696%0.96373%0.734SS**  cis-134.1172.5-1.3-84.5170.6000111.4
229K33.1Very low35.5Very low209 Ų209131.8 Ų131.891%0.90976%0.755SS**  trans-130.7128.7-173.6170.8-168.4173.2-170.30109.1
230G30.4Very low35.4Very low70 Ų70130 Ų13072%0.72275%0.753SS**  trans120.5156.8-178.900000111.6
231E36.2Very low35.1Very low200 Ų200130.1 Ų130.194%0.93576%0.76SS**  cis-131.3-174.16.2-68.9-159.994.100113.2
232K28.4Very low35.2Very low191 Ų191132.1 Ų132.183%0.8376%0.764SS**  trans-69173.9165.3-67.6178.7173.4-177.10111.1
233G31.4Very low34.9Very low66 Ų66135.4 Ų135.468%0.6877%0.769SS**  trans144.851-177.600000109.4
234D33.2Very low34.6Very low132 Ų132128.7 Ų128.771%0.70676%0.761SS**  83.1150.380.8-70.1-33.3000112.6
235T32.5Very low34.5Very low115 Ų115134.5 Ų134.571%0.70677%0.769SS**  trans-49.8139.7-179.245.90000113.9
236P38.4Very low34.8Very low125 Ų125132.2 Ų132.281%0.81277%0.769SS**  -102113.699.627.5-33.6000109.5
237S34Very low34.2Very low83 Ų83130 Ų13058%0.5877%0.768SS**  73.5136.665.1-62.20000111.2I239S237-I239 PolarHBondContact O-N 3.26Å
238P35Very low34.3Very low124 Ų124134.4 Ų134.481%0.80577%0.77SS**  trans-69.3125.2-167.527.8-35.1000111.7
239I34Very low34Very low157 Ų157134 Ų13481%0.80576%0.76SS**  trans-170.6115144.8-98.9149.7000109.7S237S237-I239 PolarHBondContact O-N 3.26Å
240S36.6Very low34Very low92 Ų92127.2 Ų127.264%0.64375%0.75SS**  trans62.3121.2139.2-58.60000124.4
241L31.8Very low34.1Very low158 Ų158133.7 Ų133.783%0.82776%0.758SS**  78.3165.3127.2-59.2175.5000117
242P39.3Very low34Very low92 Ų92134.2 Ų134.260%0.59776%0.758SS**  -141.6-164.2-102.129.2-0.8000115.4
243Y35.7Very low34.2Very low192 Ų192128.5 Ų128.575%0.75375%0.753SS**  trans75134.9158.8-75.7-66.8000121.6
244A32.8Very low34.2Very low82 Ų82133.4 Ų133.468%0.67876%0.759SS**  trans70.3154.513900000119.2
245E34.7Very low34.2Very low193 Ų193135.9 Ų135.990%0.90276%0.763SS**  cis-120.3133.69-66.7-179.8146.500113.3
246P35.1Very low34.1Very low121 Ų121134.2 Ų134.279%0.78677%0.768SS**  trans-120.8142.4172.838.1-26.6000114.9
247G32.4Very low33.6Very low75 Ų75134 Ų13477%0.77377%0.765SS**  trans86.6176.1154.100000118.1
248E33.8Very low33.3Very low162 Ų162133.2 Ų133.276%0.75776%0.759SS**  cis-153.5172.8-11.5-126.4-165.4171.200115.6
249K34.6Very low33.1Very low174 Ų174134 Ų13476%0.75775%0.747SS**  trans-51.4155.1-171.4-54.3136.7-178.4164.80117.8
250G32.9Very low33Very low67 Ų67133.3 Ų133.369%0.69175%0.745SS**  trans165.4142149.900000113.3
251F33.4Very low32.7Very low206 Ų206137.5 Ų137.590%0.90476%0.755SS**  cis-150.6179-9.6-106.2-79.7000110.5
252K33.8Very low32.7Very low211 Ų211134.6 Ų134.692%0.91775%0.748SS**  trans-76.9156.9179.2-62.2174.3178.1174.40112.8
253G32.8Very low32.4Very low72 Ų72134.7 Ų134.774%0.74276%0.756SS**  trans-175.272.416900000118.9
254E31.9Very low32.4Very low169 Ų169132.2 Ų132.279%0.7976%0.755SS**  trans61-170.8152.6-74.7-91.981.900119.7
255K32.6Very low32.6Very low184 Ų184136.7 Ų136.780%0.876%0.76SS**  trans-123.2139.7-151.7-46178.1-165.573.70112.6
256G30Very low32.5Very low79 Ų79137.1 Ų137.181%0.81476%0.759SS**  trans-161.6141.7171.800000112
257T28.1Very low32.6Very low120 Ų120134.8 Ų134.874%0.73676%0.757SS**  trans-84125.1-169.956.80000114.4
258S28.7Very low32.9Very low67 Ų67138.3 Ų138.347%0.46975%0.753SS.*  trans69.5154.7134.964.80000121.3K1668S258-K1668 PolarHBondContact OG-NZ 3.42Å
259Y30.9Very low33.1Very low141 Ų141137.9 Ų137.955%0.55374%0.744SS**  trans97.7143.2163.4-42.2-36.4000117K1665 K1668Y259-K1665 VanDerWaalsContact CD1-CE 3.49Å; Y259-K1668 WeakPolarHBondContact OH-CD 3.28Å; Y259-K1668 WeakPolarHBondContact OH-CE 3.24Å; Y259-K1668 PolarHBondContact OH-NZ 3.24Å
260D30.1Very low33.3Very low143 Ų143133.9 Ų133.977%0.76573%0.734SS**  trans-76.7145173.5-41.9-100.7000111.8
261E30.6Very low33.5Very low179 Ų179132.5 Ų132.584%0.83672%0.72SS**  -172.2130.6124.2-97-169.5131.900107.7
262S31.6Very low33.8Very low98 Ų98129.5 Ų129.569%0.68572%0.718SS**  80.9126.165.1-61.90000114.1
263A34.5Very low33.9Very low93 Ų93129.3 Ų129.377%0.76972%0.718SS**  trans71.2155.116900000115.6
264L34.4Very low34.2Very low140 Ų140129.2 Ų129.273%0.73372%0.717SS**  cis-162.1162.5-4.9-148.547.1000112.9
265F38.6Very low34.5Very low177 Ų177128.9 Ų128.978%0.77672%0.719SS**  trans60.3142.3172.4-64.7-83.7000118.4
266K31.6Very low34.7Very low202 Ų202129.8 Ų129.888%0.87872%0.723SS**  cis109126.39.8-81.8-171.3170.5-179.80116.3
267G36.5Very low35.1Very low72 Ų72129.1 Ų129.174%0.74272%0.716SS**  trans130.699.8168.900000112
268Q39.3Very low35.8Very low149 Ų149131.4 Ų131.470%0.69672%0.723SS**  70.3129.150.5-129.6-171.75.500111.6
269R38.4Very low36.3Very low152 Ų152134.4 Ų134.457%0.57474%0.741SS**  cis-147.7-175.437.5-56.9172.7175158.58.2111G689 R690R269-G689 VanDerWaalsContact CD-C 3.5Å; R269-R690 WeakPolarHBondContact CD-O 3.41Å; R269-R690 PolarHBondContact NH1-O 2.97Å
270T38.5Very low37Very low90 Ų90131 Ų13155%0.55275%0.749SS**  cis75.314617.2380000118.9G689T270-G689 CarbonylContact C-O 3.47Å; T270-G689 PolarHBondContact OG1-N 3.12Å
271G37.7Very low37.8Very low38 Ų38130.4 Ų130.439%0.39275%0.753SS.*  cis-129.5-156.210.200000118.7
272V39.4Very low38.2Very low143 Ų143133.6 Ų133.687%0.86776%0.757SS**  trans-156.2151.5-164.1-169.60000115.3
273K36.3Very low39Very low207 Ų207131.8 Ų131.890%0.975%0.754SS**  trans-166.9159.8162.5-106.4162.4-173.5174.30112.3
274G38Very low39.6Very low71 Ų71134.6 Ų134.673%0.73276%0.756SS**  cis163.1176.15.900000107.6
275I38.1Very low40.4Very low161 Ų161134 Ų13483%0.82676%0.76SS**  cis-159.6-165.7-053174.7000106.1
276K36.9Very low40.8Very low203 Ų203129 Ų12988%0.88376%0.76SS**  cis-167.4147.24.3-178.7-168.6178.5-171.10109.2
277G38.9Very low41.3Very low66 Ų66127.5 Ų127.568%0.6876%0.761SS**  trans159.4140.9165.100000114.1
278L41.9Very low41.7Very low168 Ų168133.2 Ų133.288%0.8877%0.769SS**  trans-147153.2-169.2-70.6170.8000113.2
279P39.2Very low42.1Very low130 Ų130129 Ų12984%0.84477%0.765SS**  -115.1177.2100.4-1130.1000116
280G46.2Very low42.4Very low69 Ų69128.1 Ų128.171%0.71178%0.779SS**  trans-91-171.9-176.700000116.2
281P47.1Very low42.3Very low131 Ų131130 Ų13085%0.85179%0.79SS**  trans-98.2161.6-152.137.3-37.5000115.6
282R39Very low42.9Very low245 Ų245130.5 Ų130.593%0.92580%0.796SS**  trans-106.2126.7144-173.5172.6-174.3160.32.3107.1
283G48.6Very low43.5Very low61 Ų61130 Ų13063%0.62980%0.796SS**PPolyproline II helixtrans-70.7147.8178.800000111.9
284D46.9Very low43.9Very low152 Ų152127.4 Ų127.481%0.81378%0.78SS**PPolyproline II helixtrans-60.3143.8170.8-54.8-70.2000110.4G286D284-G286 PolarHBondContact O-N 3.21Å
285P50.7Low44.7Very low126 Ų126127 Ų12782%0.81878%0.776SS**PPolyproline II helixtrans-56.5127.9170.4-22.333.8000110D287P285-D287 PolarHBondContact O-N 2.98Å
286G47.3Very low44.9Very low74 Ų74122 Ų12276%0.76376%0.755SS**PPolyproline II helixtrans-66.1134-175.800000112.4D284D284-G286 PolarHBondContact O-N 3.21Å
287D43.2Very low45.4Very low170 Ų170116.7 Ų116.791%0.90974%0.742SS**PPolyproline II helixtrans-53.8136.6169.1-69.5-54.1000110.7P285P285-D287 PolarHBondContact O-N 2.98Å
288E44.1Very low45.8Very low192 Ų192117 Ų11790%0.89774%0.744SS**PPolyproline II helixtrans-63.8149.8-176.5-78.3-165.3116.400113.6
289G48.5Very low45.8Very low60 Ų60117.1 Ų117.162%0.61974%0.744SS**PPolyproline II helixtrans-60.7161168.800000113.1T291G289-T291 PolarHBondContact O-N 3.32Å
290P44.4Very low45.6Very low134 Ų134118.6 Ų118.687%0.8775%0.745SS**PPolyproline II helixtrans-75.6124.1-159.128.5-36.3000114.5
291T37Very low45.4Very low128 Ų128118.2 Ų118.279%0.78574%0.741SS**  trans-87.7102.7155.5-65.30000109.6G289G289-T291 PolarHBondContact O-N 3.32Å
292G49.3Very low45.1Very low49 Ų49118.5 Ų118.551%0.50574%0.74SS.*  trans-67.4158.1179.500000114R294G292-R294 PolarHBondContact O-N 2.81Å
293P51.5Low45.3Very low134 Ų134112.3 Ų112.387%0.8773%0.732SS**  trans-68.1104.7-177.727.6-34.7000111.8G295P293-G295 PolarHBondContact O-N 2.87Å
294R46.1Very low44.9Very low151 Ų151112.6 Ų112.657%0.5773%0.734SS**  trans-70.485.9176.3-173.1-178.7-178.6140.110.7111.7Q217 G218 L219 G292Q217-R294 PolarHBondContact NE2-O 3.35Å; G218-R294 PolarHBondContact O-NE 2.95Å; G218-R294 VanDerWaalsContact O-NE 3.12Å; G218-R294 PolarHBondContact O-NH2 2.66Å; L219-R294 VanDerWaalsContact O-CD 3.26Å; L219-R294 WeakPolarHBondContact O-CD 3.21Å; L219-R294 PolarHBondContact O-NH1 2.63Å; G292-R294 PolarHBondContact O-N 2.81Å
295G53.8Low44.5Very low62 Ų62111.5 Ų111.564%0.63973%0.733SS**  trans-72.1151.5173.600000113.8P293P293-G295 PolarHBondContact O-N 2.87Å
296S41.8Very low44.2Very low56 Ų56111.3 Ų111.339%0.39273%0.732SS.*  trans-174.7161167.654.30000111.3Y216 Q217Y216-S296 WeakPolarHBondContact O-CB 3.27Å; Y216-S296 PolarHBondContact O-OG 2.62Å; Q217-S296 VanDerWaalsContact CA-OG 3.31Å; Q217-S296 WeakPolarHBondContact CA-OG 3.2Å
297P47.7Very low44.1Very low93 Ų93110.5 Ų110.560%0.60472%0.724SS**  cis-123.7148.9-28.827.5-8.2000111.6Y216Y216-P297 WeakPolarHBondContact O-CD 3.41Å
298G46.6Very low43.8Very low71 Ų71108.5 Ų108.573%0.73272%0.72SS**  trans-66.5136.2170.100000111.3
299I43.8Very low43.6Very low172 Ų172106.8 Ų106.888%0.88272%0.715SS**  trans-78129.7162.4-55.4177.2000106.7G301I299-G301 PolarHBondContact O-N 3.44Å
300N33.7Very low43.2Very low160 Ų160107.2 Ų107.286%0.85672%0.72SS**  trans-6790.6-173.1-68.3-25.3000112.7
301G43.2Very low42.7Very low61 Ų61108.5 Ų108.563%0.62972%0.719SS**  trans-64.5154143.900000109.9I299I299-G301 PolarHBondContact O-N 3.44Å
302V40.4Very low42.7Very low137 Ų137111.6 Ų111.683%0.8373%0.725SS**  trans-55.5135.7-173.8-176.20000110.9G304V302-G304 PolarHBondContact O-N 3.14Å
303P42.4Very low42.1Very low116 Ų116112.9 Ų112.975%0.75374%0.738SS**  trans-54.8114.8170.2-2534.6000110.6T305P303-T305 PolarHBondContact O-N 3.27Å
304G41.3Very low41.1Very low66 Ų66111.8 Ų111.868%0.6873%0.729SS**PPolyproline II helixtrans-57.3135.8158.300000108V302V302-G304 PolarHBondContact O-N 3.14Å
305T37.1Very low40.7Very low129 Ų129113.8 Ų113.879%0.79175%0.747SS**PPolyproline II helixtrans-50.7136.6175.746.50000109.6P303 G307P303-T305 PolarHBondContact O-N 3.27Å; T305-G307 PolarHBondContact O-N 2.66Å; T305-G307 VanDerWaalsContact O-N 3.13Å
306P45.2Very low39.9Very low122 Ų122114 Ų11479%0.79275%0.75SS**PPolyproline II helixtrans-48.8125.5171.5-26.834.7000109.6
307G44.5Very low39.5Very low57 Ų57121.1 Ų121.159%0.58877%0.773SS**PPolyproline II helixtrans-57.2143.2160.700000107.7T305 I309T305-G307 PolarHBondContact O-N 2.66Å; T305-G307 VanDerWaalsContact O-N 3.13Å; G307-I309 PolarHBondContact O-N 3.38Å
308P37.4Very low39.1Very low128 Ų128127.1 Ų127.183%0.83179%0.79SS**PPolyproline II helixtrans-53.8134.7175.824.1-33.2000108.9G310P308-G310 PolarHBondContact O-N 3.12Å
309I40Very low38.8Very low156 Ų156126.4 Ų126.480%0.878%0.784SS**PPolyproline II helixtrans-56.3130.1175.1-69.2171.3000107.2G307 D311G307-I309 PolarHBondContact O-N 3.38Å; I309-D311 PolarHBondContact O-N 3.04Å
310G39.9Very low38.6Very low69 Ų69128.7 Ų128.771%0.71179%0.787SS**PPolyproline II helixtrans-74.4120178.200000109.8P308 E312P308-G310 PolarHBondContact O-N 3.12Å; G310-E312 PolarHBondContact O-N 3.43Å
311D33.9Very low38.9Very low162 Ų162123 Ų12387%0.86676%0.759SS**PPolyproline II helixtrans-65.1129.1175.6-67.7-45.1000110.8I309I309-D311 PolarHBondContact O-N 3.04Å
312E37.1Very low39.3Very low192 Ų192122.4 Ų122.490%0.89775%0.753SS**PPolyproline II helixtrans-76141.8178.7-166.9166.7-162.400110.8G310G310-E312 PolarHBondContact O-N 3.43Å
313G36Very low39.3Very low76 Ų76120.4 Ų120.478%0.78475%0.75SS**PPolyproline II helixtrans-77.2133.1-163.300000115
314T32.2Very low39.2Very low111 Ų111120.7 Ų120.768%0.68175%0.752SS**PPolyproline II helixtrans-92.7135.6160.151.10000110.4
315M36.7Very low39.2Very low194 Ų194120.6 Ų120.696%0.95675%0.751SS**  trans-121.4127.1-171.2-170.2-170.4-62.700112.6
316G37.9Very low39.5Very low67 Ų67121.5 Ų121.569%0.69175%0.75SS**  trans109138.1171.400000113.6
317K32.8Very low39.3Very low204 Ų204121.4 Ų121.489%0.88775%0.749SS**  cis-137.5164.90.3-73.1-175.9177.3177.50111.1
318F39.2Very low39.2Very low219 Ų219121.2 Ų121.296%0.96175%0.748SS**  trans-67.9132.3-172.6-77.6-103.8000114.4
319G39.8Very low39Very low57 Ų57121.1 Ų121.159%0.58875%0.747SS**  trans-146.1134.3150.100000107P321G319-P321 WeakPolarHBondContact O-CD 3.43Å; G319-P321 VanDerWaalsContact O-CG 3.25Å; G319-P321 WeakPolarHBondContact O-CG 3.35Å; G319-P321 VanDerWaalsContact O-N 3.09Å
320K41Very low39.2Very low220 Ų220119.8 Ų119.896%0.95775%0.748SS**  trans-54.7113.2-164.9-91.4-167.2176.3-175.70112.6
321P38.8Very low39.2Very low41 Ų41120.4 Ų120.427%0.26676%0.755SS.*  trans-88.2121.3-173.4-10.330.1000112.5G319 F751 P752G319-P321 WeakPolarHBondContact O-CD 3.43Å; G319-P321 VanDerWaalsContact O-CG 3.25Å; G319-P321 WeakPolarHBondContact O-CG 3.35Å; G319-P321 VanDerWaalsContact O-N 3.09Å; P321-F751 VanDerWaalsContact C-CD1 3.47Å; P321-F751 VanDerWaalsContact CB-CA 3.48Å; P321-F751 HydrophobicContact CB-CB 3.62Å; P321-F751 HydrophobicContact CB-CD1 3.01Å; P321-F751 HydrophobicContact CB-CD2 3.92Å; P321-F751 HydrophobicContact CB-CE1 3.49Å; P321-F751 VanDerWaalsContact CB-CE1 3.49Å; P321-F751 HydrophobicContact CB-CE2 4.29Å; P321-F751 HydrophobicContact CB-CG 3.23Å; P321-F751 HydrophobicContact CB-CZ 4.08Å; P321-F751 HydrophobicContact CG-CD1 4.44Å; P321-F751 HydrophobicContact CG-CG 4.37Å; P321-P752 WeakPolarHBondContact CD-O 3.39Å
322G51.7Low39.4Very low48 Ų48123.7 Ų123.750%0.49576%0.755SS.*  trans-80.4159.9-177.800000115.5F751G322-F751 WeakPolarHBondContact O-CD1 3.49Å; G322-F751 VanDerWaalsContact O-CE1 3.3Å; G322-F751 WeakPolarHBondContact O-CE1 3.06Å
323A40.3Very low39.5Very low94 Ų94121.7 Ų121.778%0.77775%0.75SS**  trans-45.2138.5-17000000115.2G325A323-G325 PolarHBondContact O-N 2.83Å; A323-G325 VanDerWaalsContact O-N 3.08Å
324P40.5Very low39.6Very low122 Ų122121 Ų12179%0.79274%0.742SS**PPolyproline II helixtrans-52.2117177.3-27.635.1000112.1I326P324-I326 PolarHBondContact O-N 2.88Å
325G41.8Very low40Very low65 Ų65123.2 Ų123.267%0.6775%0.745SS**PPolyproline II helixtrans-62.8135.7173.800000110.2A323 P327A323-G325 PolarHBondContact O-N 2.83Å; A323-G325 VanDerWaalsContact O-N 3.08Å; G325-P327 WeakPolarHBondContact O-CD 3.36Å; G325-P327 VanDerWaalsContact O-N 3.09Å
326I42.3Very low40Very low147 Ų147122 Ų12275%0.75474%0.743SS**PPolyproline II helixtrans-55.3116171.7-57.3168000107.5P324 G328P324-I326 PolarHBondContact O-N 2.88Å; I326-G328 PolarHBondContact O-N 2.6Å
327P41.5Very low40.5Very low120 Ų120121.8 Ų121.878%0.77974%0.74SS**PPolyproline II helixtrans-60.7117.8174.6-22.235.1000108.3G325G325-P327 WeakPolarHBondContact O-CD 3.36Å; G325-P327 VanDerWaalsContact O-N 3.09Å
328G42.6Very low40.8Very low54 Ų54120.5 Ų120.556%0.55774%0.742SS**PPolyproline II helixtrans-60.1143175.300000109.6I326 P330I326-G328 PolarHBondContact O-N 2.6Å; G328-P330 WeakPolarHBondContact O-CD 3.08Å; G328-P330 VanDerWaalsContact O-N 3.14Å
329P32.8Very low40.9Very low126 Ų126115.9 Ų115.982%0.81873%0.734SS**PPolyproline II helixtrans-60.4118.2-177.125-33.8000110.2
330P43.8Very low41.2Very low127 Ų127116.5 Ų116.583%0.82574%0.74SS**PPolyproline II helixtrans-61.7138.9170.5-20.334.6000109.4G328G328-P330 WeakPolarHBondContact O-CD 3.08Å; G328-P330 VanDerWaalsContact O-N 3.14Å
331G40.3Very low41.4Very low83 Ų83110.3 Ų110.386%0.85672%0.723SS**PPolyproline II helixtrans-64.4144.9-167.200000114.5
332R38Very low42.1Very low231 Ų231114 Ų11487%0.87275%0.746SS**PPolyproline II helixtrans-88.4130.9164.8-76.4-178164.8-156.8-1.8110.7
333L40Very low42.1Very low149 Ų149114.6 Ų114.678%0.7875%0.753SS**  171.8156.4113.7-124.761.9000109.4
334G38.6Very low42.6Very low61 Ų61116.3 Ų116.363%0.62976%0.756SS**  cis-117.6167.1-16.700000109.9
335Q39.2Very low43Very low159 Ų159115.4 Ų115.474%0.74376%0.759SS**  60.5133.459.6-65.3-175.7-48.400112.1
336D37.5Very low43.3Very low169 Ų169115.7 Ų115.790%0.90476%0.761SS**  cis-100.3174.718.7-55.7-54.7000114.7
337G47.2Very low43.2Very low62 Ų62118.3 Ų118.364%0.63977%0.768SS**  cis163161.6-4.100000111.6
338L39.6Very low43.7Very low176 Ų176118.5 Ų118.592%0.92177%0.769SS**  trans70.5157.9174.8-50.3174.9000118.1
339P42Very low43.9Very low123 Ų123119 Ų11980%0.79977%0.774SS**  cis-121166.6-27.331.1-13.1000113.4
340G45.9Very low44.4Very low69 Ų69119.3 Ų119.371%0.71178%0.776SS**PPolyproline II helixtrans-74.8163.6-171.900000117
341P46.1Very low44.2Very low91 Ų91123.2 Ų123.259%0.59178%0.78SS**PPolyproline II helixtrans-74.6148.1-167.229.2-35.9000114.9
342P52.6Low44.6Very low117 Ų117122.2 Ų122.276%0.7677%0.77SS**PPolyproline II helixtrans-63.6131.8162.4-19.232.8000111.1
343G51.4Low44.4Very low61 Ų61119.2 Ų119.263%0.62977%0.771SS**PPolyproline II helixtrans-72.7153.2177.100000112.7
344P52Low44.4Very low131 Ų131121.6 Ų121.685%0.85178%0.775SS**PPolyproline II helixtrans-65148.318028.3-35.4000112
345A48.2Very low44.6Very low102 Ų102121.6 Ų121.684%0.84378%0.775SS**PPolyproline II helixtrans-67.4134.2169.700000110.1
346G47.9Very low44.8Very low71 Ų71125.6 Ų125.673%0.73279%0.785SS**PPolyproline II helixtrans-68.9147178.900000112.3
347F40.8Very low44.6Very low202 Ų202123 Ų12389%0.88678%0.78SS**PPolyproline II helixtrans-58.2138174.2-64.3-85.7000111.2G349F347-G349 PolarHBondContact O-N 2.98Å
348P50.3Low44.1Very low125 Ų125123.1 Ų123.181%0.81278%0.781SS**PPolyproline II helixtrans-55.8126.3162.9-22.233.7000109.5
349G46.8Very low44Very low63 Ų63121.2 Ų121.265%0.64978%0.777SS**PPolyproline II helixtrans-62.3151.7179.900000111.9F347 K351F347-G349 PolarHBondContact O-N 2.98Å; G349-K351 PolarHBondContact O-N 2.79Å
350P43.4Very low43.5Very low133 Ų133123 Ų12386%0.86478%0.775SS**PPolyproline II helixtrans-58.4130.4177.525.6-34000109.9G352P350-G352 VanDerWaalsContact C-N 3.34Å; P350-G352 PolarHBondContact O-N 3.46Å
351K40.2Very low43Very low210 Ų210122 Ų12291%0.91377%0.765SS**  trans-70.694173.2-177.2-175.3177.6-174.10107.9G349G349-K351 PolarHBondContact O-N 2.79Å
352G47.9Very low42.5Very low62 Ų62124.1 Ų124.164%0.63978%0.778SS**  trans-58.5149.2-176.400000113.2P350P350-G352 VanDerWaalsContact C-N 3.34Å; P350-G352 PolarHBondContact O-N 3.46Å
353D34.1Very low41.5Very low167 Ų167127.2 Ų127.289%0.89378%0.779SS**  trans-58.6138.5173.8-63.8-65.5000111G355D353-G355 VanDerWaalsContact C-N 3.3Å; D353-G355 PolarHBondContact O-N 3Å
354K41Very low40.9Very low199 Ų199127.1 Ų127.187%0.86578%0.778SS**  trans-75.190.4163.8-86.6-162.9169.3-165.60108.9
355G43.5Very low39.8Very low61 Ų61130.1 Ų130.163%0.62978%0.781SS**  trans-54.3138.3152.100000109.5D353 S357D353-G355 VanDerWaalsContact C-N 3.3Å; D353-G355 PolarHBondContact O-N 3Å; G355-S357 PolarHBondContact O-N 3.29Å; G355-S357 VanDerWaalsContact O-N 3.16Å
356Y41.6Very low38.9Very low243 Ų243134.8 Ų134.895%0.95378%0.782SS**  trans-73.4104172.8-77.2-98.4000109
357S34.1Very low38.3Very low116 Ų116135.1 Ų135.181%0.81179%0.786SS**  trans-111.195.8168.664.40000109.7G355G355-S357 PolarHBondContact O-N 3.29Å; G355-S357 VanDerWaalsContact O-N 3.16Å
358G37.3Very low37.8Very low63 Ų63132.1 Ų132.165%0.64978%0.784SS**  trans80.5123.1171.400000115.8
359T37Very low37Very low136 Ų136136 Ų13683%0.83479%0.788SS**SBend-40.9131.7114.438.10000108.9G361T359-G361 PolarHBondContact O-N 2.91Å
360Q31.7Very low36.7Very low162 Ų162135.9 Ų135.976%0.75779%0.787SS**  trans-61.5112.7164.4-179.4175.7-15.200106.1
361G35.4Very low36.2Very low48 Ų48137.7 Ų137.750%0.49578%0.784SS.*  trans-52.8145.717500000109.6T359 K363T359-G361 PolarHBondContact O-N 2.91Å; G361-K363 PolarHBondContact O-N 3.1Å
362P34.5Very low36.2Very low134 Ų134134.4 Ų134.487%0.8778%0.781SS**  trans-54.3105.6-167.621.8-33.9000110.3G364P362-G364 PolarHBondContact O-N 3.44Å
363K33.3Very low35.5Very low182 Ų182136.7 Ų136.779%0.79178%0.783SS**  trans-80.277.7-179.6-168.1-157.7170.1-173.40109.2G361G361-K363 PolarHBondContact O-N 3.1Å
364G38.4Very low36.1Very low59 Ų59135.3 Ų135.361%0.60878%0.776SS**  trans52.8101.9156.900000115.7P362 K366P362-G364 PolarHBondContact O-N 3.44Å; G364-K366 VanDerWaalsContact C-N 3.28Å; G364-K366 PolarHBondContact O-N 3.15Å
365E29Very low36.4Very low194 Ų194131.5 Ų131.591%0.90777%0.769SS**SBendtrans-53.2103.3135.3-67.1-176.8149.400108.7
366K29.5Very low36.5Very low201 Ų201136 Ų13687%0.87478%0.778SS**  -176119.5117.5-98.1168.1-177.1-179.30110.3G364G364-K366 VanDerWaalsContact C-N 3.28Å; G364-K366 PolarHBondContact O-N 3.15Å
367G34.5Very low36.7Very low78 Ų78129.2 Ų129.280%0.80477%0.773SS**  trans-166.124.4-179.400000112.1K369G367-K369 PolarHBondContact O-N 2.91Å
368V30.7Very low36.8Very low138 Ų138132.1 Ų132.184%0.83678%0.776SS**  trans-73.7107174.1-177.40000108
369K32.4Very low36.6Very low206 Ų206135 Ų13590%0.89678%0.783SS**  trans-178119.6150.5-106.2173.7-177.4-171.30108.9G367G367-K369 PolarHBondContact O-N 2.91Å
370G40.2Very low36.8Very low62 Ų62131.7 Ų131.764%0.63978%0.776SS**  cis-170-176-5.800000110.4
371E33.4Very low37.2Very low170 Ų170129.9 Ų129.979%0.79478%0.779SS**  trans-62.8143.1169.1-49.995.7114.700111
372T41.4Very low37.5Very low141 Ų141134.6 Ų134.687%0.86579%0.792SS**  trans-135.3109.1130.151.40000106.6
373T33Very low37.9Very low111 Ų111131.2 Ų131.268%0.68178%0.781SS**  trans-66161.4160.348.30000109.7
374D45.5Very low38Very low138 Ų138130.2 Ų130.274%0.73879%0.785SS**  169.8151115.5-83-5.6000113
375V47.8Very low38.3Very low118 Ų118135.9 Ų135.972%0.71580%0.799SS**  trans58.1102.3160.5-65.50000121.8
376D45.6Very low39Very low155 Ų155129.9 Ų129.983%0.82979%0.79SS**  88.2150.8117.9-62.1-15000123.7
377A46.1Very low39.4Very low101 Ų101129.4 Ų129.484%0.83579%0.791SS**  trans87.7125.6166.100000119.8
378M36.6Very low40.1Very low177 Ų177131.7 Ų131.787%0.87279%0.791SS**  trans-52.2159165.6-76.9162.558.600113.7
379P33.1Very low41Very low124 Ų124129 Ų12981%0.80579%0.791SS**  cis-121.8158.124.439.9-27.9000116.2
380G39.7Very low41.5Very low67 Ų67126.3 Ų126.369%0.69179%0.792SS**  trans-81-176.7171.500000113.9
381P41.4Very low41.6Very low124 Ų124131 Ų13181%0.80579%0.794SS**  cis-125.2136.716.237.5-22.4000115.7
382D42.3Very low42Very low147 Ų147126.4 Ų126.479%0.78679%0.793SS**  trans-149.3147.8159.2-108.5-33000107.6K1436D382-K1436 IonicContact OD2-NZ 3.27Å
383G42.1Very low42.3Very low62 Ų62125.5 Ų125.564%0.63978%0.783SS**  trans165.5152-177.700000111.7
384D36.3Very low42.5Very low162 Ų162131.7 Ų131.787%0.86679%0.794SS**  cis-138.4148.1-2.7-64-47.3000109.4
385I43.1Very low42Very low177 Ų177128.2 Ų128.291%0.90879%0.791SS**  trans-130.7112.4164.4-64.6-178.6000108
386G44.9Very low42.1Very low68 Ų68130.8 Ų130.870%0.70180%0.8SS**  trans-80.7168.2176.200000113.6
387E38.4Very low41.9Very low192 Ų192129.6 Ų129.690%0.89780%0.801SS**  trans-84.2153.7-164.6-58.7-175.8124.500115
388P48.2Very low41.5Very low126 Ų126128 Ų12882%0.81880%0.795SS**  trans-90.8110.5177.834-31.7000113.1
389G49.2Very low42.1Very low81 Ų81125.4 Ų125.484%0.83579%0.791SS**PPolyproline II helixtrans-74.6152.4168.800000113.6
390V42.3Very low42.5Very low150 Ų150131.1 Ų131.191%0.90980%0.798SS**PPolyproline II helixtrans-103.2150.8179.1-175.80000111.5
391K43.8Very low42.5Very low159 Ų159131 Ų13169%0.69180%0.797SS**PPolyproline II helixtrans-71.6139.2-158.8-173.9172.9-170.7-89.40116.4D393K391-D393 WeakPolarHBondContact CE-OD1 3.11Å; K391-D393 IonicContact NZ-OD1 2.61Å; K391-D393 PolarHBondContact NZ-OD1 3.29Å; K391-D393 IonicContact NZ-OD2 2.66Å; K391-D393 PolarHBondContact NZ-OD2 2.04Å
392G41Very low42.9Very low74 Ų74131.6 Ų131.676%0.76380%0.801SS**  trans-141.9135.1154.800000109.9
393D48.5Very low42.9Very low122 Ų122136.8 Ų136.865%0.65281%0.809SS**  trans-102.1152.7-171.2-58.3-87.2000113.7K391K391-D393 WeakPolarHBondContact CE-OD1 3.11Å; K391-D393 IonicContact NZ-OD1 2.61Å; K391-D393 PolarHBondContact NZ-OD1 3.29Å; K391-D393 IonicContact NZ-OD2 2.66Å; K391-D393 PolarHBondContact NZ-OD2 2.04Å
394R35.6Very low42.8Very low241 Ų241137 Ų13791%0.90981%0.811SS**  170.8135.4115.5-175.7173-164.9175.54.8113.3
395G36.7Very low43.3Very low66 Ų66136 Ų13668%0.6881%0.806SS**  trans127.996.3146.400000118
396D48.8Very low43.5Very low171 Ų171133.4 Ų133.491%0.91480%0.8SS**  trans-82.3128162.3-60.9-70.5000110.9
397P41.9Very low43.5Very low130 Ų130133.7 Ų133.784%0.84480%0.803SS**  -146.4162.6117.137.3-23000112.8
398G36.7Very low43.7Very low68 Ų68128.6 Ų128.670%0.70180%0.802SS**  cis-170.4168.8-2.200000110
399P50.9Low43.6Very low122 Ų122134.8 Ų134.879%0.79281%0.809SS**  trans-98.2119.4-155.134.7-34.9000117.5
400Y40.3Very low43.6Very low245 Ų245134.1 Ų134.196%0.96180%0.802SS**  trans-152.3148.3156.6-77.1-83.2000108.5
401G40.8Very low43.8Very low64 Ų64133.5 Ų133.566%0.6680%0.801SS**  cis-168.2165.3-6.500000110.4
402P48.7Very low43.8Very low137 Ų137137.4 Ų137.489%0.8981%0.812SS**  trans-91.6127.1-163.333.3-34.9000116
403R41.7Very low44Very low256 Ų256136.7 Ų136.797%0.96680%0.804SS**  trans-165.9132.8166.1-142.3174.2-175.8178.71.1109.5
404G41.7Very low43.5Very low66 Ų66138.5 Ų138.568%0.6881%0.814SS**  cis-172.8159.5-10.600000109.5P406G404-P406 VanDerWaalsContact O-CD 3.27Å; G404-P406 WeakPolarHBondContact O-CD 3.2Å
405L45.6Very low44.2Very low142 Ų142133 Ų13374%0.74381%0.809SS**  trans-102110.6-173.9-88.1173.2000114.7
406P48.1Very low44.7Very low122 Ų122132.7 Ų132.779%0.79281%0.806SS**  trans-124.8135.4149.136.2-24.6000111.4G404G404-P406 VanDerWaalsContact O-CD 3.27Å; G404-P406 WeakPolarHBondContact O-CD 3.2Å
407G43.9Very low44.7Very low73 Ų73131.2 Ų131.275%0.75381%0.806SS**  cis-175.2136.3-8.600000109
408G43.1Very low44.4Very low86 Ų86135 Ų13589%0.88781%0.809SS**  trans-82143.8-17900000112.7
409R46.8Very low44.5Very low255 Ų255135 Ų13596%0.96281%0.809SS**  trans-123.8136.4157.9-133.2177.5-164-151.82.7109.7
410G49.2Very low43.9Very low68 Ų68136.8 Ų136.870%0.70181%0.812SS**  trans-76.9175.1-166.700000115.1
411P46.7Very low44.1Very low136 Ų136131 Ų13188%0.88380%0.804SS**PPolyproline II helixtrans-69.2151.7-178.731-36.3000111.9
412R43Very low43.7Very low242 Ų242131.6 Ų131.691%0.91381%0.81SS**PPolyproline II helixtrans-102.7116.8160.6-171.6174.2-173.1168.23.1107.8
413G46.4Very low43.2Very low58 Ų58130.8 Ų130.860%0.59881%0.805SS**PPolyproline II helixtrans-69.4168.8-179.600000113.7
414D37.7Very low42.9Very low160 Ų160121.7 Ų121.786%0.85679%0.791SS**PPolyproline II helixtrans-62130.6-168.9-49.8-80000113.3G416D414-G416 PolarHBondContact O-N 3.39Å
415P49.2Very low42.5Very low126 Ų126129.3 Ų129.382%0.81880%0.801SS**PPolyproline II helixtrans-61.7121.7163-20.933.7000110.1
416G46.9Very low42Very low59 Ų59126.2 Ų126.261%0.60880%0.796SS**PPolyproline II helixtrans-61.7163.6179.700000114D414 K418D414-G416 PolarHBondContact O-N 3.39Å; G416-K418 PolarHBondContact O-N 3.22Å
417P49.3Very low41.5Very low140 Ų140127.6 Ų127.691%0.90979%0.792SS**PPolyproline II helixtrans-63.3125.9-170.826.2-35.1000112
418K36.9Very low41Very low211 Ų211129.1 Ų129.192%0.91779%0.786SS**PPolyproline II helixtrans-92116.4172.5-167.5175.5-176.1-179.90109.2G416G416-K418 PolarHBondContact O-N 3.22Å
419G38.3Very low40.7Very low68 Ų68130.3 Ų130.370%0.70177%0.771SS**PPolyproline II helixtrans-79.1167-172.100000115.9
420D38.9Very low40.2Very low159 Ų159125.2 Ų125.285%0.8576%0.761SS**PPolyproline II helixtrans-63171.5168.4-57.5-68.4000113.4
421P43.6Very low39.7Very low122 Ų122124.7 Ų124.779%0.79276%0.756SS**  cis-133.2-175.6-28.127.7-6.4000113.1
422G32.3Very low39.5Very low77 Ų77122.3 Ų122.379%0.79473%0.733SS**  trans176.8113.9163.800000117
423P39.4Very low39.2Very low120 Ų120115.6 Ų115.678%0.77972%0.721SS**  trans-117.6166.7-176.340.7-32.8000117.3
424G33.9Very low39.1Very low65 Ų65113.9 Ų113.967%0.6770%0.703SS**  trans104.2153.5169.200000114.9
425Y33.7Very low39.1Very low226 Ų226113.6 Ų113.689%0.88669%0.69SS**  cis-152.8-171.43-56-94.7000107.6
426A35.4Very low38.2Very low78 Ų78115 Ų11565%0.64568%0.683SS**  cis-157.5144.75.700000108.8
427Q37.9Very low37.9Very low151 Ų151114 Ų11471%0.70667%0.672SS**  80.4131.186-62.8-170.5-66.900119.6
428V33.8Very low37.2Very low104 Ų104113 Ų11363%0.6366%0.655SS**  trans149.896.4130.3171.90000114.6E183E183-V428 WeakPolarHBondContact OE1-CA 3.02Å; E183-V428 PolarHBondContact OE1-N 3.1Å
429I36.6Very low37.2Very low111 Ų111112.6 Ų112.657%0.56965%0.654SS**  trans56.5131.9133.5-50176.2000118.9E183 T184E183-I429 PolarHBondContact OE1-N 3Å; E183-I429 VanDerWaalsContact OE1-N 3.15Å; T184-I429 HydrophobicContact CG2-CG1 4.2Å
430I34.8Very low37.5Very low149 Ų149112.8 Ų112.876%0.76466%0.656SS**  -157134.366.2-62162.5000112.5E183 T184E183-I430 PolarHBondContact O-N 3.35Å; T184-I430 VanDerWaalsContact OG1-CA 3.31Å; T184-I430 WeakPolarHBondContact OG1-CA 3.17Å; T184-I430 PolarHBondContact OG1-N 2.84Å
431G39.4Very low37.7Very low56 Ų56112.3 Ų112.358%0.57765%0.653SS**  trans11685.5139.400000121.2T184T184-G431 PolarHBondContact OG1-N 2.97Å; T184-G431 VanDerWaalsContact OG1-N 3.12Å
432E42.4Very low37.7Very low87 Ų87112.8 Ų112.841%0.40766%0.655SS.*  trans-97.4178.4164.3-118.3-157.7-107.400111.7G185 P186G185-E432 VanDerWaalsContact CA-OE1 3.26Å; G185-E432 WeakPolarHBondContact CA-OE1 3.5Å; G185-E432 WeakPolarHBondContact O-CB 3.32Å; P186-E432 WeakPolarHBondContact CA-OE1 3.04Å; P186-E432 VanDerWaalsContact N-OE1 3.09Å
433P37.4Very low38Very low101 Ų101112.8 Ų112.866%0.65666%0.655SS**  cis-141.4-17430.841.7-20.5000116.8R199R199-P433 VanDerWaalsContact CZ-O 3.29Å; R199-P433 PolarHBondContact NH1-O 2.83Å; R199-P433 PolarHBondContact NH2-O 3.07Å
434G42.7Very low38Very low22 Ų22114.8 Ų114.823%0.22766%0.659CS.*  trans150.783.2160.900000116R199R199-G434 PolarHBondContact NE-O 2.85Å
435R38.9Very low38.2Very low153 Ų153119.4 Ų119.458%0.57767%0.668SS**  trans-67.4170.5-176.6-70.1-167.8-171146.89.6115.9K187 R201K187-R435 PolarHBondContact O-NE 3.02Å; K187-R435 PolarHBondContact O-NH2 3.07Å; R201-R435 PolarHBondContact NH2-O 2.94Å
436K29.1Very low38.5Very low156 Ų156112.3 Ų112.368%0.67866%0.664SS**  trans81.7114.3170.2-132.9171.5-168.3176.60115.7R201R201-K436 PolarHBondContact NH2-O 3.26Å; R201-K436 VanDerWaalsContact NH2-O 3.1Å
437G41.3Very low38.4Very low37 Ų37118.9 Ų118.938%0.38168%0.678SS.*  trans-157.820.2-177.600000113.3K439G437-K439 PolarHBondContact O-N 3.41Å
438E34.3Very low38.5Very low119 Ų119122 Ų12256%0.55668%0.683SS**  trans-71.6107.4170.1-61.5-175.2125.600109.4G440E438-G440 PolarHBondContact O-N 2.87Å
439K38Very low38.9Very low204 Ų204120.3 Ų120.389%0.88769%0.687SS**  trans-90.1102.5173.4-77.3-172.8175-1800109.9G437G437-K439 PolarHBondContact O-N 3.41Å
440G44.9Very low38.8Very low72 Ų72122.4 Ų122.474%0.74269%0.692SS**  trans-65.7156166.900000112.3E438E438-G440 PolarHBondContact O-N 2.87Å
441L42.4Very low38.9Very low149 Ų149121.7 Ų121.778%0.7870%0.695SS**  trans-62.1154.5157-58158.8000108.5
442P43.4Very low38.9Very low131 Ų131122.1 Ų122.185%0.85170%0.699SS**  cis-135.1-170.115.343-25.8000114.4
443G38.6Very low38.9Very low77 Ų77128.8 Ų128.879%0.79472%0.721SS**  trans160.1103.3164.200000112.6
444L39.3Very low39.3Very low162 Ų162128.2 Ų128.285%0.84872%0.717SS**  trans-98.2148.7-179-78.6171.5000113.2
445D39.1Very low38.8Very low162 Ų162131.4 Ų131.487%0.86675%0.75SS**  trans63.9127.5165.3-62.1-14.6000119.8
446G38.6Very low38.9Very low78 Ų78130.5 Ų130.580%0.80476%0.755SS**  trans-176.520.6-176.400000119.7
447K34.1Very low39.4Very low215 Ų215127.9 Ų127.994%0.93575%0.754SS**  trans-138.2112.7168.5-76.9-163.9176.3-177.10114.1
448R39.2Very low39.6Very low217 Ų217129.9 Ų129.982%0.81978%0.775SS**  trans-14486.6163.3-163.5-175.6-160.3-17110.9114.2
449G43.1Very low39.9Very low69 Ų69130.4 Ų130.471%0.71179%0.786SS**  trans-119138.8136.500000106.8
450K34.3Very low40Very low155 Ų155130.5 Ų130.567%0.67479%0.786SS**  cis55.8122.434.2-59.4-171.7175.9-174.60112
451T37.4Very low39.8Very low133 Ų133130 Ų13082%0.81678%0.781SS**  cis-161.1167.4-2.720000107.4
452G37.9Very low39.4Very low65 Ų65132.2 Ų132.267%0.6779%0.788SS**  cis-138.8-173.94.600000113.2
453R42.9Very low39.2Very low228 Ų228136.2 Ų136.286%0.8679%0.792SS**  cis69.5137.329.5-100-167.4-176.2-147.70.7113.7
454P46Very low39.4Very low88 Ų88135.3 Ų135.357%0.57178%0.782SS**  -142.9170.8-8740.4-25.5000115.9I456P454-I456 HydrophobicContact CB-CD1 4.43Å; P454-I456 HydrophobicContact CB-CG1 4.23Å; P454-I456 HydrophobicContact CG-CB 4.26Å; P454-I456 HydrophobicContact CG-CD1 3.4Å; P454-I456 HydrophobicContact CG-CG1 3.59Å; P454-I456 PolarHBondContact O-N 3.1Å
455G32.6Very low39.2Very low90 Ų90137.7 Ų137.793%0.92879%0.786SS**  trans-79.994.4154.100000111.6
456I40.4Very low39.4Very low133 Ų133136.5 Ų136.568%0.68279%0.788SS**  trans-109.8142.1171.3-84.2170.2000107.9P454P454-I456 HydrophobicContact CB-CD1 4.43Å; P454-I456 HydrophobicContact CB-CG1 4.23Å; P454-I456 HydrophobicContact CG-CB 4.26Å; P454-I456 HydrophobicContact CG-CD1 3.4Å; P454-I456 HydrophobicContact CG-CG1 3.59Å; P454-I456 PolarHBondContact O-N 3.1Å
457P39.5Very low39.5Very low102 Ų102135.9 Ų135.966%0.66278%0.781SS**  cis-130.6179.7-2637.1-19.5000112.4
458G44.6Very low39.8Very low79 Ų79135.8 Ų135.881%0.81478%0.775SS**  trans-89.6113.8158.800000111.8
459T41.7Very low39.6Very low129 Ų129131.3 Ų131.379%0.79176%0.763SS**  trans-122.195.9148.551.20000107.7G461T459-G461 PolarHBondContact O-N 3.43Å; T459-G461 VanDerWaalsContact O-N 3.13Å
460K39.7Very low39.4Very low206 Ų206134.6 Ų134.690%0.89677%0.769SS**  trans-58.4114.7173.7176.9-178.4177.3-178.20108.2
461G41Very low39.6Very low61 Ų61137.8 Ų137.863%0.62978%0.779SS**  trans-60.9144.9174.200000111.1T459 K463T459-G461 PolarHBondContact O-N 3.43Å; T459-G461 VanDerWaalsContact O-N 3.13Å; G461-K463 PolarHBondContact O-N 3.18Å
462E33.8Very low39.6Very low197 Ų197135.1 Ų135.192%0.92178%0.777SS**  trans-64.5106.5170.8-64.9-175.3138.300109G464E462-G464 VanDerWaalsContact C-N 3.34Å; E462-G464 PolarHBondContact O-N 3.09Å
463K38.7Very low39.7Very low214 Ų214144.1 Ų144.193%0.9379%0.791SS**  trans-75.694.6166-122.9-174.7-179.5-173.90107.2G461G461-K463 PolarHBondContact O-N 3.18Å
464G43Very low39.3Very low58 Ų58141.4 Ų141.460%0.59879%0.785SS**  trans-65.1170.6-17900000113.6E462 P466E462-G464 VanDerWaalsContact C-N 3.34Å; E462-G464 PolarHBondContact O-N 3.09Å; G464-P466 WeakPolarHBondContact O-CD 3.38Å
465F34.6Very low39.1Very low212 Ų212140.5 Ų140.593%0.9379%0.792SS**  trans-56.3123.9178.6-67.7-90.1000112G467F465-G467 PolarHBondContact O-N 3.08Å; F465-G467 VanDerWaalsContact O-N 3.11Å
466P44.3Very low39.5Very low138 Ų138144 Ų14490%0.89678%0.784SS**  trans-71.9101.4167.6-12.929000109.5G464G464-P466 WeakPolarHBondContact O-CD 3.38Å
467G41.6Very low39.6Very low65 Ų65144.2 Ų144.267%0.6778%0.78SS**  trans-105.5147.1165.400000110.6F465F465-G467 PolarHBondContact O-N 3.08Å; F465-G467 VanDerWaalsContact O-N 3.11Å
468R40.2Very low39.9Very low212 Ų212142.7 Ų142.780%0.878%0.783SS**  trans-145.5147.5164.8-59.1-16495.6-173.4-4.2108
469E34.1Very low39.8Very low123 Ų123144.5 Ų144.558%0.57578%0.783SS**  cis-157.2173.2-19.1-115.5155.3-158.100105
470V38.3Very low39.8Very low138 Ų138150.8 Ų150.884%0.83679%0.793SS**  cis-147.5165.944.31760000109.7
471Y39Very low39.8Very low223 Ų223144 Ų14488%0.87578%0.781SS**  trans-60.2135.4-171.3-85.9-114.9000116.8
472G38.5Very low39.9Very low76 Ų76151.5 Ų151.578%0.78480%0.797SS**  trans-153.3160.2165.200000110.9
473R39.1Very low40.5Very low255 Ų255148 Ų14896%0.96279%0.791SS**  trans-107.9139.8-170.8-104.7-174175.6-179.80.5115G475R473-G475 PolarHBondContact O-N 3.31Å
474K34.3Very low40.9Very low170 Ų170140.9 Ų140.974%0.73978%0.779SS**  trans-43.4124.8171.5179-170.8174.4-168.80114E476K474-E476 VanDerWaalsContact CE-CG 3.44Å; K474-E476 WeakPolarHBondContact CE-OE1 3.48Å; K474-E476 IonicContact NZ-OE1 3.16Å; K474-E476 PolarHBondContact NZ-OE1 3.1Å
475G42.5Very low40.7Very low69 Ų69144.7 Ų144.771%0.71179%0.793SS**  trans-111.4159.5148.900000110R473R473-G475 PolarHBondContact O-N 3.31Å
476E40.1Very low41.4Very low165 Ų165142.7 Ų142.777%0.77179%0.79SS**  trans-98.3147.7-177.2-68-172.3154.500113K474K474-E476 VanDerWaalsContact CE-CG 3.44Å; K474-E476 WeakPolarHBondContact CE-OE1 3.48Å; K474-E476 IonicContact NZ-OE1 3.16Å; K474-E476 PolarHBondContact NZ-OE1 3.1Å
477K42.8Very low41.7Very low136 Ų136138.4 Ų138.459%0.59177%0.771SS**  trans-89.2112.6-167.8-169.7163.4-172.31540111.9K1333K477-K1333 PolarHBondContact NZ-O 3.18Å
478G47.1Very low42Very low71 Ų71141.3 Ų141.373%0.73278%0.778SS**  trans-65.5157166.600000112.1
479S41.9Very low42.6Very low116 Ų116137.2 Ų137.281%0.81178%0.779SS**  trans-141.8130.4-173.556.70000114.7
480R40.6Very low43.4Very low262 Ų262134.5 Ų134.599%0.98978%0.784SS**  trans-178.9152.4152-105.6170.9175.6178-2107.9
481G39.9Very low43.5Very low64 Ų64136.3 Ų136.366%0.6679%0.789SS**  cis-163.5175.4-3.700000111
482F44.2Very low43.7Very low218 Ų218133.7 Ų133.796%0.95678%0.777SS**  trans-86.2134.7-178-72.7-89000112.8
483P46.7Very low44.2Very low123 Ų123133 Ų13380%0.79977%0.771SS**  trans-99.7141.2161219000112.5
484G45.8Very low44.2Very low65 Ų65125.9 Ų125.967%0.6777%0.767SS**  trans52.3111.9146.300000120.8I486G484-I486 PolarHBondContact O-N 3.04Å
485P39.8Very low44.9Very low137 Ų137123.6 Ų123.689%0.8977%0.772SS**PPolyproline II helixtrans-70.7121.4161.230.7-31.8000110.2
486I48.5Very low45Very low170 Ų170123.6 Ų123.687%0.87277%0.772SS**PPolyproline II helixtrans-73.9137.2168.6-64.4176.9000108.4G484G484-I486 PolarHBondContact O-N 3.04Å
487G50.4Low45.1Very low49 Ų49121 Ų12151%0.50576%0.762SS.*PPolyproline II helixtrans-65.6164.4-177.500000113.7
488P47.5Very low45.4Very low125 Ų125118.2 Ų118.281%0.81276%0.758SS**PPolyproline II helixtrans-60.4130.1177.926.3-34000110.5G490P488-G490 PolarHBondContact O-N 2.78Å
489P53Low45.4Very low126 Ų126116.5 Ų116.582%0.81874%0.741SS**PPolyproline II helixtrans-57.3128169.1-23.534.4000110
490G52.2Low45.5Very low66 Ų66114.6 Ų114.668%0.6873%0.725SS**PPolyproline II helixtrans-73.8149.2-179.700000112.7P488 R492P488-G490 PolarHBondContact O-N 2.78Å; G490-R492 PolarHBondContact O-N 3.1Å
491D40.6Very low45.7Very low176 Ų176106.4 Ų106.494%0.94170%0.7SS**  trans-61.791.9179-64.4-46000111.6G493D491-G493 PolarHBondContact O-N 3.27Å
492R43Very low46Very low168 Ų168105.6 Ų105.663%0.63469%0.692SS**  trans-93.499.3178.6-177.5168.4-111.1153.5-2.1111.5G490G490-R492 PolarHBondContact O-N 3.1Å
493G49.3Very low45.9Very low63 Ų63102.1 Ų102.165%0.64968%0.683SS**  trans45.2121.5142.200000119D491 S495D491-G493 PolarHBondContact O-N 3.27Å; G493-S495 PolarHBondContact O-N 3.21Å
494A38.1Very low45.8Very low105 Ų105105.3 Ų105.387%0.86869%0.688SS**PPolyproline II helixtrans-51.5127.4169.400000111.5G496A494-G496 PolarHBondContact O-N 3.16Å
495S48.6Very low45.8Very low122 Ų122105.3 Ų105.385%0.85369%0.688SS**PPolyproline II helixtrans-56.3123.3176.5-56.90000110.1G493 I497G493-S495 PolarHBondContact O-N 3.21Å; S495-I497 PolarHBondContact O-N 3.34Å
496G45.9Very low45.7Very low69 Ų69107.5 Ų107.571%0.71169%0.686SS**PPolyproline II helixtrans-59.2137.1178.200000111A494 P498A494-G496 PolarHBondContact O-N 3.16Å; G496-P498 WeakPolarHBondContact O-CD 3.14Å
497I40.6Very low45.1Very low111 Ų111106.9 Ų106.957%0.56968%0.683SS**PPolyproline II helixtrans-65.6125.6-179.6-33.1168.7000108.5S495 K1513S495-I497 PolarHBondContact O-N 3.34Å; I497-K1513 HydrophobicContact CB-CG 4.21Å; I497-K1513 HydrophobicContact CD1-CD 4.15Å; I497-K1513 HydrophobicContact CD1-CG 4.23Å; I497-K1513 HydrophobicContact CG2-CB 4.35Å; I497-K1513 HydrophobicContact CG2-CG 3.9Å
498P50.8Low45.1Very low76 Ų76107.7 Ų107.749%0.49469%0.691SS.*PPolyproline II helixtrans-53.9150.4161.5-25.238000110.7G496 T1510 G1511 E1512G496-P498 WeakPolarHBondContact O-CD 3.14Å; P498-T1510 HydrophobicContact CB-CG2 4.34Å; P498-G1511 CarbonylContact C-O 3.45Å; P498-G1511 WeakPolarHBondContact CA-O 3.42Å; P498-G1511 WeakPolarHBondContact CB-O 3.3Å; P498-G1511 VanDerWaalsContact O-O 3.08Å; P498-E1512 CarbonylContact O-C 2.85Å
499G46.3Very low44.9Very low36 Ų36106.7 Ų106.737%0.37169%0.685SS.*  trans-119.4159.9167.700000112.7T1510 G1511G499-T1510 CarbonylContact C-O 3.52Å; G499-T1510 CarbonylContact O-C 3.58Å; G499-G1511 CarbonylContact C-O 3.49Å; G499-G1511 WeakPolarHBondContact CA-O 3.35Å; G499-G1511 PolarHBondContact N-O 3.25Å; G499-G1511 CarbonylContact O-C 2.61Å; G499-G1511 PolarHBondContact O-N 2.91Å
500P43.5Very low44Very low76 Ų76106.6 Ų106.649%0.49469%0.687SS.*  trans-70.2136.6-130.322-37.1000123.8G502 T1510 E1512P500-G502 PolarHBondContact O-N 3.1Å; P500-T1510 CarbonylContact C-O 3.55Å; P500-T1510 VanDerWaalsContact CA-O 3.28Å; P500-T1510 WeakPolarHBondContact CA-O 3.46Å; P500-E1512 HydrophobicContact CB-CB 3.85Å; P500-E1512 HydrophobicContact CB-CG 3.91Å
501I45.4Very low43.2Very low89 Ų89109.4 Ų109.446%0.45669%0.685SS.*  trans-79.7106.8178.2-60.5-149000104.8D503 P1509 T1510I501-D503 PolarHBondContact O-N 2.8Å; I501-D503 VanDerWaalsContact O-N 3.1Å; I501-P1509 VanDerWaalsContact CD1-O 3.27Å; I501-P1509 WeakPolarHBondContact CD1-O 3.3Å; I501-P1509 WeakPolarHBondContact CG1-O 3.06Å; I501-T1510 WeakPolarHBondContact CA-O 3.39Å; I501-T1510 WeakPolarHBondContact CG1-O 3.3Å; I501-T1510 PolarHBondContact N-O 3.35Å
502G46.8Very low43.5Very low48 Ų48107.7 Ų107.750%0.49568%0.676SS.*  trans-68105.1174.300000111.9P500P500-G502 PolarHBondContact O-N 3.1Å
503D41.7Very low44Very low144 Ų144103 Ų10377%0.7768%0.68SS**  trans-73.7150.6154.3-59.7-41.4000109.3I501I501-D503 PolarHBondContact O-N 2.8Å; I501-D503 VanDerWaalsContact O-N 3.1Å
504Q43.1Very low43.5Very low191 Ų191106 Ų10689%0.89369%0.688SS**  cis-165.4151.2-25.4-174.6-177.417.300106.4
505G47.5Very low44.1Very low65 Ų65104.9 Ų104.967%0.6767%0.672SS**  trans-166.2151169.700000113.4
506E37.6Very low43.9Very low183 Ų183102.1 Ų102.186%0.85566%0.663SS**  cis-144.7135.4-13.7-74.6-168.3134.500110.1
507I36.2Very low43.6Very low157 Ų157105 Ų10581%0.80567%0.669SS**SBendtrans-13598.1138.9-64.3-174.2000104.8P509I507-P509 WeakPolarHBondContact O-CD 3.03Å
508G50.2Low43.7Very low66 Ų66109 Ų10968%0.6868%0.682SS**  trans-71126.1-16100000115.1
509P42.1Very low43.7Very low103 Ų103108.5 Ų108.567%0.66969%0.69SS**  trans-78.2141.4141.833.8-29.2000109.1I507 I511I507-P509 WeakPolarHBondContact O-CD 3.03Å; P509-I511 PolarHBondContact O-N 3.06Å
510S35.3Very low43.4Very low124 Ų124113.6 Ų113.687%0.86771%0.714SS**  trans-62.1109.8176.4-560000111
511I34.2Very low43.1Very low126 Ų126119.4 Ų119.465%0.64673%0.731SS**  trans-125.2100.7166.3-60.4178.8000105.8P509 P515P509-I511 PolarHBondContact O-N 3.06Å; I511-P515 HydrophobicContact CG2-CG 4.25Å
512D48.4Very low43.2Very low140 Ų140117.6 Ų117.675%0.74974%0.735SS**  trans-52.5152.6167.6-58.8-82.2000110.5P515D512-P515 WeakPolarHBondContact O-CD 3.43Å
513G52.8Low43Very low69 Ų69124.1 Ų124.171%0.71175%0.752SS**SBendtrans-42.4139.3-166.600000114.8
514P38.2Very low43Very low126 Ų126122.9 Ų122.982%0.81875%0.752SS**  trans-41.7110.1-147.114.6-31.9000113.7G516P514-G516 PolarHBondContact O-N 2.91Å; P514-G516 VanDerWaalsContact O-N 3.08Å
515P50Low43Very low82 Ų82117 Ų11753%0.53274%0.743SS.*  trans-57.4120.1171.5-22.634.7000107.8I511 D512I511-P515 HydrophobicContact CG2-CG 4.25Å; D512-P515 WeakPolarHBondContact O-CD 3.43Å
516G44.4Very low42.9Very low64 Ų64121.8 Ų121.866%0.6675%0.752SS**SBendtrans-46.7139.3-172.400000111.4P514 K518P514-G516 PolarHBondContact O-N 2.91Å; P514-G516 VanDerWaalsContact O-N 3.08Å; G516-K518 PolarHBondContact O-N 3.44Å; G516-K518 VanDerWaalsContact O-N 3.07Å
517P40.2Very low43.2Very low129 Ų129118.8 Ų118.884%0.83875%0.749SS**  trans-44.1113.8-151.515.1-31.8000111.8G519P517-G519 PolarHBondContact O-N 3.46Å
518K43.5Very low43.5Very low196 Ų196114.6 Ų114.685%0.85274%0.744SS**  trans-49108173.1-84.8-179.9176.5170.10107G516G516-K518 PolarHBondContact O-N 3.44Å; G516-K518 VanDerWaalsContact O-N 3.07Å
519G51Low43.1Very low64 Ų64119.3 Ų119.366%0.6675%0.752SS**  trans-54.2147.5-169.800000110.6P517 K521P517-G519 PolarHBondContact O-N 3.46Å; G519-K521 PolarHBondContact O-N 2.83Å
520V39.2Very low43Very low144 Ų144123.2 Ų123.287%0.87375%0.753SS**  trans-42.6117175.1178.80000107.7G522V520-G522 PolarHBondContact O-N 2.85Å
521K37.1Very low43.3Very low198 Ų198120.5 Ų120.586%0.86175%0.745SS**  trans-54.7107.9179.5179.6-178.9179.8179.20106.2G519G519-K521 PolarHBondContact O-N 2.83Å
522G47.2Very low43.7Very low51 Ų51125.6 Ų125.653%0.52676%0.756SS.*  trans-53.9153.6-178.100000109.5V520V520-G522 PolarHBondContact O-N 2.85Å
523Q42.7Very low43.3Very low184 Ų184127.1 Ų127.186%0.8676%0.758SS**SBendtrans-44.5132.3159-69.5-177.5-8.900107.4G525Q523-G525 PolarHBondContact O-N 3.37Å
524P41.8Very low42.7Very low118 Ų118126.8 Ų126.877%0.76676%0.755SS**  trans-46.7113.1-174.8-30.135.1000109.5L526P524-L526 PolarHBondContact O-N 3.13Å; P524-L526 VanDerWaalsContact O-N 3.1Å
525G44.4Very low42.7Very low68 Ų68128.5 Ų128.570%0.70176%0.758SS**  trans-53.6124.9-173.200000108Q523Q523-G525 PolarHBondContact O-N 3.37Å
526L45.5Very low42.7Very low165 Ų165130.4 Ų130.486%0.86477%0.77SS**  trans-41.2117.1-179.2-82.6168.6000107.9P524 G528P524-L526 PolarHBondContact O-N 3.13Å; P524-L526 VanDerWaalsContact O-N 3.1Å; L526-G528 WeakPolarHBondContact O-CA 3.47Å; L526-G528 PolarHBondContact O-N 2.8Å
527P42.4Very low42.6Very low121 Ų121130.5 Ų130.579%0.78677%0.771SS**  trans-46.4111.8-161.3-34.435.4000110.6I529P527-I529 PolarHBondContact O-N 3.48Å; P527-I529 VanDerWaalsContact O-N 3.1Å
528G42.5Very low42.8Very low68 Ų68131 Ų13170%0.70178%0.775SS**  trans-51122.8-161.500000109.6L526 R530L526-G528 WeakPolarHBondContact O-CA 3.47Å; L526-G528 PolarHBondContact O-N 2.8Å; G528-R530 PolarHBondContact O-N 2.78Å
529I42.2Very low42.6Very low166 Ų166126.6 Ų126.685%0.85177%0.774SS**  trans-53.5107.6174.833.6169.8000106.8P527 G531P527-I529 PolarHBondContact O-N 3.48Å; P527-I529 VanDerWaalsContact O-N 3.1Å; I529-G531 PolarHBondContact O-N 3.19Å
530R40.9Very low42.1Very low184 Ų184127 Ų12769%0.69478%0.779SS**  trans-43.1118-165.3173.6179.9176.6170.30.3108.8G528 R532G528-R530 PolarHBondContact O-N 2.78Å; R530-R532 PolarHBondContact O-N 2.76Å
531G41.6Very low42.1Very low67 Ų67129.5 Ų129.569%0.69178%0.781SS**  trans-49.9112.6172.800000107.8I529I529-G531 PolarHBondContact O-N 3.19Å
532R42.3Very low41.9Very low234 Ų234129.5 Ų129.588%0.88378%0.781SS**PPolyproline II helixtrans-72.8135.7162.4-149.5173.8-169.3-168.9-0.8105R530 G534R530-R532 PolarHBondContact O-N 2.76Å; R532-G534 PolarHBondContact O-N 2.83Å
533E39.4Very low41.4Very low171 Ų171130.1 Ų130.180%0.79979%0.787SS**PPolyproline II helixtrans-51.2140.5-175.6-69.2120121.500110.9
534G41.3Very low41.3Very low63 Ų63128.6 Ų128.665%0.64979%0.785SS**PPolyproline II helixtrans-59.3154.6176.800000110.8R532 P536R532-G534 PolarHBondContact O-N 2.83Å; G534-P536 VanDerWaalsContact O-CD 3.3Å; G534-P536 WeakPolarHBondContact O-CD 3.08Å; G534-P536 VanDerWaalsContact O-N 3.1Å
535D36.5Very low41.2Very low161 Ų161127.2 Ų127.286%0.86178%0.777SS**PPolyproline II helixtrans-49.9117.5-178.5-60.3-70.9000110.5G537D535-G537 PolarHBondContact O-N 2.86Å
536P50.3Low41.1Very low122 Ų122132 Ų13279%0.79278%0.784SS**PPolyproline II helixtrans-58.7123.5-177.9-27.436.1000110.9G534G534-P536 VanDerWaalsContact O-CD 3.3Å; G534-P536 WeakPolarHBondContact O-CD 3.08Å; G534-P536 VanDerWaalsContact O-N 3.1Å
537G42.5Very low41.1Very low66 Ų66130.1 Ų130.168%0.6878%0.78SS**PPolyproline II helixtrans-58.5134.8-178.900000111.5D535 A539D535-G537 PolarHBondContact O-N 2.86Å; G537-A539 PolarHBondContact O-N 3.41Å; G537-A539 VanDerWaalsContact O-N 3.08Å
538P45.3Very low40.8Very low141 Ų141129 Ų12992%0.91677%0.774SS**  trans-75.4100.6-174.829.3-34.6000112
539A39.3Very low40.9Very low102 Ų102130.8 Ų130.884%0.84377%0.773SS**  trans-152.8139.1165.200000109.4G537G537-A539 PolarHBondContact O-N 3.41Å; G537-A539 VanDerWaalsContact O-N 3.08Å
540G40.4Very low40.9Very low73 Ų73130.9 Ų130.975%0.75378%0.775SS**  cis-154.1-169.9-4.400000110.8K542G540-K542 PolarHBondContact O-N 2.97Å
541E38.6Very low40.8Very low197 Ų197125 Ų12592%0.92177%0.773SS**  trans-79.1111.7-171.6-69-168100.800114.8
542K33.8Very low40.7Very low197 Ų197133.8 Ų133.886%0.85779%0.785SS**  61.6126.7122.3-162.6-178.5-177.4-171.90120.8G540G540-K542 PolarHBondContact O-N 2.97Å
543G36.4Very low40.8Very low64 Ų64129.1 Ų129.166%0.6678%0.784SS**  trans125.9137.1160.200000112.8
544D39.9Very low40.8Very low153 Ų153124.4 Ų124.482%0.81878%0.782SS**  cis-151.6164.1-18-112.2-31.7000109.8
545C39.2Very low40.6Very low88 Ų88130.4 Ų130.460%0.59580%0.798SS**  trans-81.2123.5-177.356.50000113.2V547C545-V547 PolarHBondContact O-N 3Å
546I43.7Very low40.9Very low168 Ų168132.1 Ų132.186%0.86280%0.801SS**SBendtrans-89.498.2159.7-62.4179.8000107.7
547V44.9Very low40.2Very low126 Ų126129.5 Ų129.576%0.76480%0.796SS**SBendtrans69.5119.5-179.3-169.40000115.6C545C545-V547 PolarHBondContact O-N 3Å
548C36.2Very low40.2Very low99 Ų99132.4 Ų132.467%0.66980%0.803SS**  trans-136.5150.4160.4-72.20000107.5
549P43.3Very low39.8Very low104 Ų104134.2 Ų134.268%0.67580%0.797SS**  -142.9154.2121.836.2-22.8000115
550D43.6Very low39.7Very low168 Ų168132.3 Ų132.390%0.89879%0.786SS**  trans58139.1159-54.2-26.5000121.1
551G38.5Very low39.3Very low62 Ų62137.9 Ų137.964%0.63979%0.79SS**  cis145.695.4-14.800000116.1
552R40.1Very low39.5Very low251 Ų251140.4 Ų140.495%0.94779%0.791SS**  trans162.8138.8145.1-89.2152-161.7-112.13113
553P43.9Very low39.9Very low135 Ų135134.4 Ų134.488%0.87779%0.785SS**  trans-103.8170.8176.639.4-34.7000114.4
554G39.4Very low40.1Very low72 Ų72140.5 Ų140.574%0.74280%0.797SS**  trans-159.296.4178.900000118.8
555L36.9Very low40.2Very low189 Ų189139.3 Ų139.399%0.9980%0.797SS**  trans56.5166.4143.2-65.8170.2000122.6
556Q42Very low40.3Very low198 Ų198138.6 Ų138.693%0.92581%0.805SS**  trans-139.6152.2-156.2-177.8-172.453.600113.7
557G36.3Very low40.2Very low67 Ų67138.9 Ų138.969%0.69181%0.806SS**  trans-159.6137.5167.800000114.3
558P42.7Very low40.1Very low127 Ų127136.6 Ų136.683%0.82579%0.794SS**  trans-101.4-164.6-174.143.5-39.4000113.3
559K37.7Very low40.4Very low179 Ų179134.4 Ų134.478%0.77879%0.789SS**  cis-163.4150.113.4-163.5174.4180176.60112.9
560G35.4Very low40.3Very low61 Ų61139 Ų13963%0.62980%0.801SS**  trans92.4156.9153.100000118.2
561F33.8Very low39.9Very low191 Ų191136.4 Ų136.484%0.83879%0.793SS**  cis-159.4159.4-14-92.7-70.6000109.5
562R41.1Very low39.8Very low249 Ų249137 Ų13794%0.9480%0.8SS**  trans-149.9156.1163.2-160.4169.1-176.6-178.30.6111.4
563G42.2Very low40.2Very low71 Ų71133.1 Ų133.173%0.73280%0.796SS**  trans-86.8-169.7-164.800000118.6
564Q40.4Very low39.7Very low193 Ų193134.4 Ų134.490%0.90280%0.796SS**  trans-85.3150.2-161.5-64.5168.8-29.100115.7
565P44Very low39.4Very low127 Ų127134.4 Ų134.483%0.82580%0.796SS**  trans-79.4162.8156.2-11.129.2000113.1
566G40.8Very low39.8Very low73 Ų73130.4 Ų130.475%0.75378%0.784SS**  trans-92.4-179.7-174.500000116.8
567I40.9Very low39.8Very low174 Ų174125.8 Ų125.889%0.89277%0.771SS**  trans-93.2127.7-172.2-50.7169.5000111.6
568P43.9Very low39.9Very low78 Ų78126 Ų12651%0.50677%0.774SS.*  trans-96.1149.9166.738.8-34.3000112.2Q75Q75-P568 VanDerWaalsContact CD-CG 3.49Å; Q75-P568 HydrophobicContact CG-CG 4.08Å; Q75-P568 VanDerWaalsContact OE1-CB 3.29Å; Q75-P568 VanDerWaalsContact OE1-CG 3.24Å
569G40.7Very low40.1Very low54 Ų54128.4 Ų128.456%0.55777%0.774SS**  trans-93.6-178-159.800000118.9Q75Q75-G569 PolarHBondContact NE2-O 3.23Å
570E41.9Very low40Very low201 Ų201130.2 Ų130.294%0.93978%0.782SS**  trans-91136.6-172.7-60.6179.813200114.5
571P35.1Very low40.3Very low113 Ų113130.5 Ų130.573%0.73478%0.784SS**  trans-136.3156.9130.837.5-27.1000111.3
572G36.7Very low40.9Very low75 Ų75130 Ų13077%0.77379%0.79SS**  cis-170.4165.2-5.100000108.1
573L48.2Very low41.2Very low168 Ų168124 Ų12488%0.8878%0.783SS**  trans-89.4123.4-171.1-75.3169.9000114.1
574D33.4Very low41.3Very low163 Ų163124.2 Ų124.287%0.87279%0.785SS**  168.9154.1122.5-88.3-19.3000110.5
575G33.7Very low41.4Very low71 Ų71120.3 Ų120.373%0.73279%0.786SS**  cis-158.4-178.9-1.600000112.2
576S45.5Very low41.4Very low106 Ų106123.7 Ų123.774%0.74179%0.791SS**  trans-84.8164.3178.578.60000112.3
577P42.1Very low41.7Very low100 Ų100123.8 Ų123.865%0.64979%0.791SS**  cis-147.6-173.226.843.4-22.9000117.4
578G36.9Very low41.9Very low73 Ų73127 Ų12775%0.75379%0.793SS**  trans173.4130.9161.100000112.7
579Q47.3Very low41.9Very low177 Ų177131.5 Ų131.583%0.82781%0.812SS**  trans-145.3126.1-176.5-143.2-178.910.700112.5
580K36Very low42Very low216 Ų216132.5 Ų132.594%0.93982%0.823SS**  trans-152.2149.5161.4-66.6-168.6178.7-175.60106.8
581G42.3Very low42.3Very low67 Ų67131.5 Ų131.569%0.69182%0.823SS**  cis174.7146.8-6.300000108.3P583G581-P583 WeakPolarHBondContact O-CD 3.48Å
582L46.4Very low42.5Very low181 Ų181133.5 Ų133.595%0.94883%0.832SS**  trans-106.1118.9-174.2-81.9171.4000113.3
583P47.8Very low42.6Very low123 Ų123133.1 Ų133.180%0.79983%0.829SS**  trans-101.7153.9150.136.1-28.3000110.2G581G581-P583 WeakPolarHBondContact O-CD 3.48Å
584G42.5Very low42.7Very low75 Ų75132 Ų13277%0.77383%0.828SS**  cis168.1128.5-4.200000107.3
585A43Very low42.9Very low112 Ų112130.5 Ų130.593%0.92683%0.828SS**  trans-84.4140.5-171.900000112.5
586Q44.5Very low43.1Very low198 Ų198131 Ų13193%0.92583%0.832SS**  trans-118.2150.2176.1-166.5168-3.800111
587G45.9Very low43.2Very low74 Ų74135.4 Ų135.476%0.76384%0.841SS**  trans-75.5-170-158.600000118.3
588R46.1Very low42.8Very low243 Ų243141 Ų14192%0.91786%0.855SS**  trans-123.7125.5178.3-78.2-177.7171.6-176.4-1.9111
589D43.9Very low42.9Very low172 Ų172140.9 Ų140.992%0.9285%0.854SS**  trans-140.3146.2158.2-59.2-70.9000106.2
590G42.1Very low42.8Very low75 Ų75142.1 Ų142.177%0.77386%0.86SS**  cis-163170.4-9.600000108.3
591L48.7Very low42.8Very low180 Ų180142 Ų14294%0.94286%0.86SS**  trans-121.8105.2-171.6-88.1172.2000114.8
592V39Very low42.7Very low154 Ų154142.1 Ų142.193%0.93386%0.861SS**  trans-153.1137.7154.8-172.90000106.8
593G38.4Very low42.6Very low68 Ų68141.4 Ų141.470%0.70185%0.853SS**  cis-173.6175.6-5.300000110
594V50.1Low42.2Very low144 Ų144143.9 Ų143.987%0.87385%0.846SS**  trans-128.6130.8178.7-140.40000108.5
595P39.4Very low42.3Very low132 Ų132141.3 Ų141.386%0.85782%0.82SS**  -154.9168.9101.139.3-21.5000116.2
596G38Very low42.3Very low80 Ų80137.2 Ų137.283%0.82578%0.782SS**  trans161.7107.2163.800000114.5
597Q46.5Very low42.2Very low199 Ų199133.7 Ų133.793%0.9377%0.77SS**  trans-120.7160.5175.1-75.6-172.3-8.300112
598K34.1Very low42.1Very low218 Ų218132.7 Ų132.795%0.94876%0.759SS**  trans116.5135.2170.5-170.3178.7-174.6179.20112.2
599G38.5Very low41.9Very low71 Ų71126 Ų12673%0.73275%0.75SS**  cis-176.5164.7-4.200000110.6
600E45Very low41.9Very low203 Ų203129.6 Ų129.695%0.94975%0.75SS**  trans-86.8157-162-61.7-179.8117.100117.9
601K35.9Very low42.4Very low213 Ų213129 Ų12993%0.92674%0.744SS**  trans-169.8144.6153-173.6175.2-1791790108.7
602G40Very low42.2Very low70 Ų70126.7 Ų126.772%0.72274%0.74SS**  cis171.3153.4-5.800000110.5
603E45.7Very low42.6Very low165 Ų165128.8 Ų128.877%0.77174%0.736SS**  trans-86.3165-162.2-58.4-170.7164.200118S27S27-E603 VanDerWaalsContact CB-OE2 3.3Å; S27-E603 WeakPolarHBondContact CB-OE2 3.43Å; S27-E603 PolarHBondContact OG-OE2 3.02Å
604R39.8Very low42.9Very low175 Ų175128.4 Ų128.466%0.6673%0.732SS**  trans-149.9147143.7-174.9-170.6-61.3-177.82.8106.8I29 C30I29-R604 CarbonylContact O-C 3.43Å; C30-R604 VanDerWaalsContact O-CD 3.23Å; C30-R604 WeakPolarHBondContact O-CD 3.45Å; C30-R604 WeakPolarHBondContact O-CG 3.29Å
605G44.2Very low42.3Very low22 Ų22130.9 Ų130.923%0.22773%0.734CS.*  cis158.6119.7-6.800000109.9I29I29-G605 CarbonylContact C-O 3.47Å; I29-G605 WeakPolarHBondContact CA-O 2.87Å; I29-G605 WeakPolarHBondContact CB-O 3.48Å; I29-G605 VanDerWaalsContact CG2-O 3.28Å; I29-G605 WeakPolarHBondContact CG2-O 3.03Å; I29-G605 PolarHBondContact N-O 3.39Å; I29-G605 CarbonylContact O-C 3.44Å; I29-G605 PolarHBondContact O-N 2.9Å
606N43.3Very low42.6Very low25 Ų25130.3 Ų130.313%0.13473%0.731CS.*  trans-65.6160.3-151.2-134.15000121.8L26 S27 N28L26-N606 VanDerWaalsContact C-CB 3.46Å; L26-N606 HydrophobicContact CD2-CB 4.13Å; S27-N606 VanDerWaalsContact C-OD1 3.25Å; S27-N606 PolarHBondContact O-ND2 3.42Å; S27-N606 PolarHBondContact O-OD1 2.73Å; N28-N606 WeakPolarHBondContact CA-OD1 3.49Å; N28-N606 PolarHBondContact N-OD1 2.61Å; N28-N606 PolarHBondContact O-OD1 3.31Å
607D42Very low42.5Very low125 Ų125129.8 Ų129.867%0.66873%0.726SS**  -135.6138.6127.2-78.1-50.7000109.7I29I29-D607 HydrophobicContact CD1-CB 3.63Å; I29-D607 HydrophobicContact CG1-CB 4.39Å
608G44Very low42.5Very low52 Ų52126 Ų12654%0.53672%0.718SS.*  trans-96.6-164.4168.700000111.7
609S40.6Very low42.4Very low102 Ų102121.5 Ų121.571%0.71371%0.709SS**  cis173.2136-17.147.90000106.5
610R45.3Very low42.1Very low249 Ų249124.2 Ų124.294%0.9470%0.702SS**  trans-149.695.3163.6-164.7173.2-172.2171.64.1112.2
611G51.8Low41.6Very low61 Ų61120 Ų12063%0.62969%0.685SS**  trans-68.1157.3171.100000112.6
612P45.2Very low41.5Very low133 Ų133114.1 Ų114.186%0.86467%0.667SS**  trans-63.9145.5170.428.7-34.3000110.7G614P612-G614 PolarHBondContact O-N 3.32Å
613K47Very low41.2Very low198 Ų198117.8 Ų117.886%0.86167%0.67SS**  trans-72.1114.7179.5-178.5-175.1176.3-173.10110.1
614G45.6Very low40.8Very low60 Ų60116 Ų11662%0.61967%0.67SS**PPolyproline II helixtrans-70.9157.1170.700000113.1P612P612-G614 PolarHBondContact O-N 3.32Å
615E35.8Very low40.7Very low195 Ų195113 Ų11391%0.91167%0.671SS**PPolyproline II helixtrans-86.8124.9176.2-62.4-175.2135.500110.9
616P45.7Very low40.3Very low120 Ų120117.9 Ų117.978%0.77970%0.696SS**PPolyproline II helixtrans-76.4149.5170.6-16.332.2000112.7
617G37.2Very low40.3Very low70 Ų70121.7 Ų121.772%0.72272%0.723SS**  trans-74.2-177.5172.500000115
618P46Very low39.9Very low119 Ų119124.9 Ų124.977%0.77373%0.733SS**  trans-96.5-167.3-161.838.7-38.1000115.7
619V31.6Very low39.6Very low123 Ų123126.3 Ų126.375%0.74574%0.74SS**  trans78.8141.5169.3-510000119
620E32.1Very low39.6Very low129 Ų129127.5 Ų127.560%0.60375%0.745SS**  cis-165.9146.3-20-112.5-179.3152.100111.1
621I33.9Very low39.2Very low115 Ų115127.3 Ų127.359%0.5975%0.745SS**  trans67160.6146.8-57.1164.8000114.6
622V35.7Very low38.7Very low88 Ų88127.2 Ų127.253%0.53374%0.743SS.*  cis-151146.728.7-1380000113.2Y7Y7-V622 HydrophobicContact CE2-CG2 4.35Å
623N32.1Very low38.4Very low148 Ų148128.2 Ų128.279%0.79174%0.741SS**  trans48.4150.8139.4-661.8000121.7
624V38.6Very low37.9Very low126 Ų126125 Ų12576%0.76474%0.738SS**  cis-158.5-177.32.275.60000107
625T36.5Very low37.7Very low113 Ų113125.4 Ų125.469%0.69374%0.743SS**  cis-147.5156.4817.50000107.4
626V37Very low38Very low124 Ų124128 Ų12875%0.75274%0.744SS**  68.5121.860.8-177.80000114.9
627P42Very low37.6Very low106 Ų106128.3 Ų128.369%0.68875%0.746SS**  cis-144.4-162.6-29.743.2-22.7000115
628E33.5Very low38Very low192 Ų192128.8 Ų128.890%0.89775%0.75SS**  trans78.2160.4154.8-74.9178.1175.500122.4
629A39.4Very low37.7Very low81 Ų81135.2 Ų135.267%0.66976%0.759SS**  trans-147.9172.7-162.600000112.4
630P40Very low37.8Very low127 Ų127134.5 Ų134.583%0.82577%0.766SS**  -147.5-161.3100.138.6-20.3000114.4
631R36.3Very low38.5Very low246 Ų246131.8 Ų131.893%0.92877%0.773SS**  trans-146.5141.3-162.2176.7-179.3177.5174.30.5114.9
632G41.8Very low38.6Very low58 Ų58132.7 Ų132.760%0.59878%0.784SS**  trans93.5159.3168.800000115.2
633D38.1Very low38.6Very low154 Ų154135.5 Ų135.582%0.82480%0.801SS**  cis-176.1162-11.5-92.3-33.5000107.3
634V37.3Very low39.3Very low130 Ų130131.6 Ų131.679%0.78880%0.795SS**  cis-160.7151.4-2.4113.60000111.5
635G41.2Very low39.2Very low70 Ų70135.6 Ų135.672%0.72281%0.805SS**  trans75.5122.1139.600000124.1
636R42.2Very low39.4Very low250 Ų250139.1 Ų139.194%0.94381%0.814SS**  trans-140.8158.7139.2-95.9-157.2172.8-167.8-0.7110.6
637P38.1Very low39.8Very low126 Ų126136 Ų13682%0.81881%0.806SS**  trans-106.1167.9-148.96.616000115.5
638G43.9Very low39.7Very low79 Ų79137.6 Ų137.681%0.81482%0.817SS**  trans-97.3-174.3-178.400000116.3
639R40.2Very low40.1Very low255 Ų255134.4 Ų134.496%0.96280%0.8SS**  trans-139163167.9-104.5-174.6173.5-166.3-2.1110.5
640A34.9Very low40.9Very low107 Ų107133.8 Ų133.888%0.88480%0.802SS**  trans-78161.1-17000000114.4
641G46.5Very low41Very low72 Ų72137.2 Ų137.274%0.74280%0.804SS**  trans-114.9-177.6175.300000113.6
642V36.1Very low41.9Very low135 Ų135131.4 Ų131.482%0.81880%0.798SS**  trans-145.1118.9-175.4-176.90000111.2
643V35.8Very low42.7Very low147 Ų147131.7 Ų131.789%0.89180%0.801SS**  trans55156.4154.2-175.80000119.2
644G45.4Very low43Very low65 Ų65130.7 Ų130.767%0.6780%0.803SS**  trans-158.2-173174.200000111.9
645E37.2Very low43.5Very low211 Ų211134.4 Ų134.499%0.98681%0.809SS**  trans-126.2-176.3-178.7-72.3-156.513200114
646Q40Very low44.3Very low186 Ų186134.3 Ų134.387%0.86981%0.808SS**  trans-116.3155.9-152.1-163.8169.817.500114.1
647G46.2Very low44.3Very low58 Ų58130 Ų13060%0.59880%0.802SS**  trans-103.3-176-17900000115.7
648P38.6Very low45.1Very low140 Ų140129.8 Ų129.891%0.90980%0.801SS**PPolyproline II helixtrans-83.4153.5-177.533.7-35.1000114.1
649K42Very low45.6Very low126 Ų126128.8 Ų128.855%0.54879%0.791SS.*PPolyproline II helixtrans-86.6150.5-174.7-80.7167.2164.5160.70115.3E159 R160E159-K649 PolarHBondContact O-NZ 3.09Å; E159-K649 WeakPolarHBondContact OE2-CE 3.47Å; E159-K649 IonicContact OE2-NZ 2.77Å; E159-K649 PolarHBondContact OE2-NZ 2.84Å; R160-K649 PolarHBondContact O-NZ 2.8Å
650G57.9Low45.8Very low68 Ų68122.8 Ų122.870%0.70179%0.785SS**PPolyproline II helixtrans-99.5154.5151.800000111.7
651F40.4Very low46.5Very low198 Ų198123.1 Ų123.187%0.86877%0.768SS**PPolyproline II helixtrans-76.9142.7-174.8-69.9-91.9000113.5
652P55.5Low46.8Very low125 Ų125122.1 Ų122.181%0.81276%0.758SS**PPolyproline II helixtrans-76.6131.4169.8-10.226.8000111.9
653G60Low47.5Very low63 Ų63121.8 Ų121.865%0.64976%0.759SS**PPolyproline II helixtrans-74.9155.7163.200000112
654P44.1Very low47.9Very low133 Ų133122.8 Ų122.886%0.86475%0.751SS**PPolyproline II helixtrans-64.4144.4177.427.8-34.6000111.3G656P654-G656 PolarHBondContact O-N 3.32Å
655K48.1Very low48Very low209 Ų209122.6 Ų122.691%0.90975%0.749SS**PPolyproline II helixtrans-66.3124.1170.8-73.1-178179.3176.20109.2
656G56.4Low48.2Very low68 Ų68120.2 Ų120.270%0.70174%0.743SS**PPolyproline II helixtrans-60.6147.4162.600000110.7P654P654-G656 PolarHBondContact O-N 3.32Å
657L42.7Very low48.3Very low158 Ų158116.8 Ų116.883%0.82774%0.739SS**PPolyproline II helixtrans-56.3141.3168.2-66.2168.4000109.2G659L657-G659 PolarHBondContact O-N 2.75Å
658P54.5Low48Very low122 Ų122117 Ų11779%0.79274%0.742SS**PPolyproline II helixtrans-55.7124.2161.5-19.532.2000108.1
659G54.7Low48.1Very low59 Ų59118.5 Ų118.561%0.60874%0.737SS**PPolyproline II helixtrans-59.5153.9167.200000109.7L657 E661L657-G659 PolarHBondContact O-N 2.75Å; G659-E661 PolarHBondContact O-N 3.5Å
660P44.2Very low48.2Very low129 Ų129118.4 Ų118.484%0.83875%0.749SS**PPolyproline II helixtrans-53.4139.5169.726.2-34.4000108.6G662P660-G662 PolarHBondContact O-N 3.15Å; P660-G662 VanDerWaalsContact O-N 3.12Å
661E50.4Low47.2Very low114 Ų114118.1 Ų118.153%0.53375%0.746SS.*PPolyproline II helixtrans-56124.7176.4-173178.1-139.100108.5L193 G659L193-E661 WeakPolarHBondContact CA-OE2 3.27Å; L193-E661 WeakPolarHBondContact CB-OE1 3.44Å; L193-E661 VanDerWaalsContact CB-OE2 3.24Å; L193-E661 WeakPolarHBondContact CB-OE2 3.33Å; L193-E661 WeakPolarHBondContact CD1-OE2 3.33Å; L193-E661 WeakPolarHBondContact CG-OE2 3.46Å; L193-E661 VanDerWaalsContact N-CD 3.26Å; L193-E661 PolarHBondContact N-OE1 3.2Å; L193-E661 PolarHBondContact N-OE2 2.82Å; G659-E661 PolarHBondContact O-N 3.5Å
662G53.2Low47.2Very low51 Ų51115.8 Ų115.853%0.52674%0.742SS.*PPolyproline II helixtrans-57.2140.7176.800000109P660 K664P660-G662 PolarHBondContact O-N 3.15Å; P660-G662 VanDerWaalsContact O-N 3.12Å; G662-K664 PolarHBondContact O-N 2.95Å
663P50.8Low46.6Very low128 Ų128115.3 Ų115.383%0.83174%0.739SS**PPolyproline II helixtrans-51.2123177.623.4-33.7000107.9G665P663-G665 PolarHBondContact O-N 3.23Å
664K43.3Very low45.5Very low167 Ų167115 Ų11573%0.72674%0.736SS**  trans-45.1112.1-177.9174-175.3175.1-178.50107.5G662 D666G662-K664 PolarHBondContact O-N 2.95Å; K664-D666 PolarHBondContact O-N 2.93Å; K664-D666 VanDerWaalsContact O-N 3.15Å
665G47.9Very low45.2Very low61 Ų61118.7 Ų118.763%0.62974%0.738SS**  trans-51.7126.6-173.500000109P663 S667P663-G665 PolarHBondContact O-N 3.23Å; G665-S667 PolarHBondContact O-N 2.93Å
666D41.2Very low44.7Very low162 Ų162114 Ų11487%0.86673%0.732SS**  trans-47.4132.4172.3-80.5-55.1000107.7K664 G668K664-D666 PolarHBondContact O-N 2.93Å; K664-D666 VanDerWaalsContact O-N 3.15Å; D666-G668 VanDerWaalsContact C-N 3.32Å; D666-G668 PolarHBondContact O-N 3.14Å
667S42.3Very low44Very low113 Ų113113.6 Ų113.679%0.7973%0.728SS**  trans-52.9103.8173.7-61.70000106.9G665 Q669G665-S667 PolarHBondContact O-N 2.93Å; S667-Q669 PolarHBondContact O-N 3.21Å
668G40Very low43.9Very low63 Ų63112.9 Ų112.965%0.64973%0.731SS**  trans-51.1130.6-178.500000107.4D666 P670D666-G668 VanDerWaalsContact C-N 3.32Å; D666-G668 PolarHBondContact O-N 3.14Å; G668-P670 WeakPolarHBondContact O-CD 3.31Å
669Q39.6Very low43.1Very low172 Ų172113.7 Ų113.780%0.80473%0.733SS**  trans-46.4125.7172.9-72.6-176.2-8.800106.6S667 G671S667-Q669 PolarHBondContact O-N 3.21Å; Q669-G671 WeakPolarHBondContact O-CA 3.46Å; Q669-G671 PolarHBondContact O-N 3.48Å
670P44.6Very low42.4Very low124 Ų124113.7 Ų113.781%0.80573%0.733SS**  trans-50.1111.4171.5-26.134.6000106G668 L672G668-P670 WeakPolarHBondContact O-CD 3.31Å; P670-L672 PolarHBondContact O-N 3.33Å; P670-L672 VanDerWaalsContact O-N 3.15Å
671G37Very low42Very low62 Ų62117 Ų11764%0.63973%0.734SS**  trans-53.1127.8-162.200000108.3Q669 P673Q669-G671 WeakPolarHBondContact O-CA 3.46Å; Q669-G671 PolarHBondContact O-N 3.48Å; G671-P673 WeakPolarHBondContact O-CD 3.28Å
672L39.7Very low41.7Very low148 Ų148117.5 Ų117.578%0.77575%0.747SS**  trans-39.6113.5-178.5-90.3168.4000107.5P670 G674P670-L672 PolarHBondContact O-N 3.33Å; P670-L672 VanDerWaalsContact O-N 3.15Å; L672-G674 PolarHBondContact O-N 3.08Å
673P43.7Very low41.2Very low115 Ų115118.5 Ų118.575%0.74776%0.758SS**  trans-50.7117.8-173.6-30.435.7000107.3G671 F675G671-P673 WeakPolarHBondContact O-CD 3.28Å; P673-F675 PolarHBondContact O-N 3.19Å
674G38.1Very low40.6Very low57 Ų57124.2 Ų124.259%0.58876%0.763SS**  trans-53143.7-165.800000109.2L672 S676L672-G674 PolarHBondContact O-N 3.08Å; G674-S676 PolarHBondContact O-N 3.03Å; G674-S676 PolarHBondContact O-OG 3.31Å
675F36Very low40.3Very low210 Ų210127.7 Ų127.792%0.92177%0.771SS**  trans-71.355.1169.4-76.2-83000110P673 G677P673-F675 PolarHBondContact O-N 3.19Å; F675-G677 PolarHBondContact O-N 3.13Å
676S39.1Very low39.8Very low110 Ų110127.6 Ų127.677%0.76977%0.77SS**  trans-54124.2158.249.70000107G674G674-S676 PolarHBondContact O-N 3.03Å; G674-S676 PolarHBondContact O-OG 3.31Å
677G41.2Very low39.3Very low61 Ų61128 Ų12863%0.62977%0.767SS**  trans-62.5165.8-153.200000115.2F675 V679F675-G677 PolarHBondContact O-N 3.13Å; G677-V679 PolarHBondContact O-N 2.9Å; G677-V679 VanDerWaalsContact O-N 3.11Å
678T39.9Very low39.2Very low143 Ų143128 Ų12888%0.87776%0.764SS**  trans-43.2121.1159.8490000109.4G680T678-G680 PolarHBondContact O-N 3Å
679V37.9Very low39.2Very low138 Ų138125.3 Ų125.384%0.83674%0.736SS**  trans-51.6116.6175.7175.10000108G677 K681G677-V679 PolarHBondContact O-N 2.9Å; G677-V679 VanDerWaalsContact O-N 3.11Å; V679-K681 PolarHBondContact O-N 3.32Å
680G41.3Very low39Very low59 Ų59126.8 Ų126.861%0.60873%0.734SS**  trans-55.9136.9178.300000109.3T678T678-G680 PolarHBondContact O-N 3Å
681K35.6Very low38.6Very low199 Ų199125.8 Ų125.887%0.86572%0.722SS**  trans-45.7130.3177.8-67.4-177.8180179.60108.8V679 G683V679-K681 PolarHBondContact O-N 3.32Å; K681-G683 PolarHBondContact O-N 3.35Å; K681-G683 VanDerWaalsContact O-N 3.1Å
682P44.1Very low38.4Very low125 Ų125126.8 Ų126.881%0.81273%0.733SS**PPolyproline II helixtrans-46.3123.5-178.3-30.735000110.3R684P682-R684 PolarHBondContact O-N 3Å
683G42.5Very low38.2Very low72 Ų72126.2 Ų126.274%0.74273%0.729SS**PPolyproline II helixtrans-52.7128.8-17300000109.6K681 R685K681-G683 PolarHBondContact O-N 3.35Å; K681-G683 VanDerWaalsContact O-N 3.1Å; G683-R685 PolarHBondContact O-N 2.87Å; G683-R685 VanDerWaalsContact O-N 3.07Å
684R37.7Very low37.5Very low248 Ų248126.8 Ų126.894%0.93673%0.73SS**PPolyproline II helixtrans-48.2124.5174.2-86.7-170.7172.6-167.9-0.6107.4P682 G686P682-R684 PolarHBondContact O-N 3Å; R684-G686 PolarHBondContact O-N 2.85Å
685R36.5Very low37.2Very low240 Ų240131.1 Ų131.191%0.90673%0.733SS**  trans-42.1115.2179-179.1-176.3-63.2-171.20.5108.1G683 E687G683-R685 PolarHBondContact O-N 2.87Å; G683-R685 VanDerWaalsContact O-N 3.07Å; R685-E687 PolarHBondContact O-N 2.92Å
686G37.8Very low37.2Very low59 Ų59124.3 Ų124.361%0.60871%0.706SS**PPolyproline II helixtrans-54.5133.1-18000000109R684R684-G686 PolarHBondContact O-N 2.85Å
687E31.4Very low36.9Very low169 Ų169122.2 Ų122.279%0.7970%0.696SS**PPolyproline II helixtrans-53.3137.4171.8-63.5-177.7137.200108.4R685 G689R685-E687 PolarHBondContact O-N 2.92Å; E687-G689 PolarHBondContact O-N 2.87Å
688P38.8Very low36.4Very low114 Ų114125.2 Ų125.274%0.7469%0.693SS**PPolyproline II helixtrans-51.8117.4170-2433.8000108.1R690P688-R690 PolarHBondContact O-N 3.47Å; P688-R690 VanDerWaalsContact O-N 3.11Å
689G39.7Very low36.3Very low6 Ų6125.5 Ų125.56%0.06268%0.683CS.*PPolyproline II helixtrans-61.8120.4-179.500000108.5R269 T270 E687 D691R269-G689 VanDerWaalsContact CD-C 3.5Å; T270-G689 CarbonylContact C-O 3.47Å; T270-G689 PolarHBondContact OG1-N 3.12Å; E687-G689 PolarHBondContact O-N 2.87Å; G689-D691 PolarHBondContact O-N 2.95Å
690R37.4Very low36.4Very low203 Ų203122.5 Ų122.577%0.76668%0.679SS**PPolyproline II helixtrans-52.3138.6178.5-52.6-179.4-177.6178.2-3.2110.9R269 P688R269-R690 WeakPolarHBondContact CD-O 3.41Å; R269-R690 PolarHBondContact NH1-O 2.97Å; P688-R690 PolarHBondContact O-N 3.47Å; P688-R690 VanDerWaalsContact O-N 3.11Å
691D34.4Very low36.2Very low103 Ų103124.6 Ų124.655%0.55169%0.691SS**PPolyproline II helixtrans-52.1141.3-176.2-43.1-75000112G689 I693G689-D691 PolarHBondContact O-N 2.95Å; D691-I693 HydrophobicContact CB-CD1 4.25Å; D691-I693 HydrophobicContact CB-CG1 3.82Å; D691-I693 PolarHBondContact O-N 2.63Å
692G34.1Very low36.6Very low83 Ų83121.2 Ų121.286%0.85669%0.692SS**  trans-80.591.916800000108.9
693I35.8Very low36.5Very low136 Ų136118.4 Ų118.470%0.69769%0.686SS**  trans-105.7125.8177.8-36.2178.4000109.2D691D691-I693 HydrophobicContact CB-CD1 4.25Å; D691-I693 HydrophobicContact CB-CG1 3.82Å; D691-I693 PolarHBondContact O-N 2.63Å
694V29.3Very low36.4Very low127 Ų127122.9 Ų122.977%0.7769%0.691SS**  trans-11393.2171164.50000106.1
695F30.9Very low36.8Very low148 Ų148117 Ų11765%0.64969%0.685SS**  trans66.9155.4154.6-64.6-85.3000117.7P927F695-P927 HydrophobicContact CD1-CB 3.75Å; F695-P927 HydrophobicContact CD1-CG 4.17Å; F695-P927 HydrophobicContact CE1-CB 3.76Å; F695-P927 HydrophobicContact CE1-CG 4.28Å
696D35.4Very low36.8Very low67 Ų67109 Ų10936%0.35868%0.677SS.*  cis-143.3164.720.8-114.8-45.6000118P927 G928 E929D696-P927 VanDerWaalsContact OD1-C 3.29Å; D696-P927 WeakPolarHBondContact OD1-CB 3.29Å; D696-P927 WeakPolarHBondContact OD1-CG 3.19Å; D696-P927 VanDerWaalsContact OD1-O 3.12Å; D696-G928 VanDerWaalsContact OD1-CA 3.3Å; D696-G928 WeakPolarHBondContact OD1-CA 3.23Å; D696-G928 WeakPolarHBondContact OD2-CA 3.5Å; D696-E929 PolarHBondContact OD2-N 3.47Å; D696-E929 VanDerWaalsContact OD2-N 3.09Å
697A32.7Very low37.1Very low67 Ų67118 Ų11855%0.55469%0.693SS**  trans47.6155.4149.600000124
698Q31.3Very low37.6Very low123 Ų123118.1 Ų118.158%0.57570%0.699SS**  cis-161112.4-18.8-108.4175.152.300114.3D926 P927Q698-D926 HydrophobicContact CG-CB 3.6Å; Q698-P927 PolarHBondContact NE2-O 3.3Å
699K38.3Very low37.6Very low150 Ų150116.1 Ų116.165%0.65270%0.699SS**  trans35.4134132.4-159.1-175.1-166.6174.20126.2D926K699-D926 VanDerWaalsContact CD-CG 3.45Å; K699-D926 WeakPolarHBondContact CD-OD1 3.24Å; K699-D926 WeakPolarHBondContact CD-OD2 3.5Å; K699-D926 IonicContact NZ-OD1 2.9Å; K699-D926 PolarHBondContact NZ-OD1 3.13Å; K699-D926 IonicContact NZ-OD2 2.65Å; K699-D926 PolarHBondContact NZ-OD2 3.09Å
700G39.5Very low37.4Very low74 Ų74124 Ų12476%0.76374%0.738SS**  trans110.8155144.100000117.2
701A37.5Very low37.3Very low103 Ų103124.3 Ų124.385%0.85175%0.745SS**  cis-169.8-175.7-15.100000107.7
702S44.3Very low37.8Very low128 Ų128122.9 Ų122.990%0.89575%0.754SS**  cis-167.1170.6-3.5-153.50000111.1
703G41.8Very low37.5Very low67 Ų67126.2 Ų126.269%0.69175%0.748SS**  trans96.6164.1157.100000119
704I40Very low37.8Very low165 Ų165126.8 Ų126.885%0.84675%0.745SS**  cis-148150.9-6-63.8-170.5000109.2
705P45.3Very low38Very low125 Ų125121.6 Ų121.681%0.81272%0.718SS**  trans-116.2172.6-169.942.2-33.5000117.6
706G36.4Very low38.4Very low71 Ų71119 Ų11973%0.73271%0.707SS**  trans122.8125.4139.600000120.4
707R44.1Very low38.7Very low250 Ų250118.8 Ų118.894%0.94370%0.703SS**  trans-177.7144.5140.1-107.3-176.4-176.2-158.10.4112.1
708D42.3Very low38.9Very low170 Ų170119 Ų11991%0.90971%0.711SS**  trans-127.9162.2-172.3-63.1-69.5000114.1
709G39.2Very low39.2Very low72 Ų72116.7 Ų116.774%0.74270%0.703SS**  trans107.7144.4175.700000114.2
710I35.5Very low39.2Very low172 Ų172117.2 Ų117.288%0.88270%0.701SS**  cis-1511391317.5171.1000113.5
711K34.9Very low39.1Very low209 Ų209117.4 Ų117.491%0.90970%0.703SS**  trans35.7108146.1-158.8175.4-175-1790120.3
712G44.4Very low38.7Very low73 Ų73121.5 Ų121.575%0.75371%0.707SS**  trans-87.8-161-178.600000119.1
713E29.3Very low38.1Very low153 Ų153122.1 Ų122.172%0.71570%0.7SS**  trans-157.4156165.4-141.5-160.6-123.600112.6E897E713-E897 WeakPolarHBondContact CA-OE2 3.34Å
714K40.6Very low37.5Very low148 Ų148125.8 Ų125.864%0.64370%0.704SS**  trans62.799.9154.4-145.5166.3-166.8162.70119.9K892 E897K714-K892 HydrophobicContact CG-CD 4.45Å; K714-E897 WeakPolarHBondContact CA-OE1 3.49Å; K714-E897 PolarHBondContact N-OE1 3.31Å; K714-E897 PolarHBondContact N-OE2 2.86Å
715G35.5Very low37Very low19 Ų19126 Ų12620%0.19671%0.705CS.*  trans-86.5165-17800000119.1K717 P898G715-K717 PolarHBondContact O-N 3.17Å; G715-P898 VanDerWaalsContact CA-CB 3.48Å
716E37.7Very low36.4Very low92 Ų92126.1 Ų126.143%0.4370%0.703SS.*  trans-82.698.5-174.5-60.9-142.8179.600115.5G718 G899 E900E716-G718 PolarHBondContact O-N 3.19Å; E716-G899 CarbonylContact O-C 3.12Å; E716-E900 HydrophobicContact CB-CB 4.49Å; E716-E900 HydrophobicContact CB-CG 3.6Å; E716-E900 HydrophobicContact CG-CG 3.68Å; E716-E900 PolarHBondContact O-N 2.72Å
717K43.1Very low36.1Very low64 Ų64127.2 Ų127.228%0.27869%0.692SS.*  45.371.7105.7-155.1152.7178144.60117G715 D719 R889 G890 P891G715-K717 PolarHBondContact O-N 3.17Å; K717-D719 PolarHBondContact O-N 3.26Å; K717-R889 HydrophobicContact CD-CG 4.33Å; K717-R889 WeakPolarHBondContact CE-O 3.38Å; K717-R889 HydrophobicContact CG-CG 4.43Å; K717-R889 PolarHBondContact NZ-O 2.86Å; K717-G890 WeakPolarHBondContact CE-O 3.46Å; K717-G890 PolarHBondContact NZ-O 3.16Å; K717-P891 HydrophobicContact CB-CB 4.49Å; K717-P891 HydrophobicContact CB-CG 3.94Å; K717-P891 HydrophobicContact CG-CG 4.18Å
718G35.2Very low35.7Very low70 Ų70124.9 Ų124.972%0.72269%0.692SS**  trans-63.5128.1162.900000112.2E716E716-G718 PolarHBondContact O-N 3.19Å
719D38.9Very low35.3Very low76 Ų76121.1 Ų121.141%0.40667%0.671SS.*  trans-109.697.7-177.8-86-42.4000112.6K717 R889K717-D719 PolarHBondContact O-N 3.26Å; D719-R889 VanDerWaalsContact CG-CG 3.44Å; D719-R889 WeakPolarHBondContact OD1-CA 3.33Å; D719-R889 WeakPolarHBondContact OD1-CG 3.18Å; D719-R889 WeakPolarHBondContact OD2-CG 3.32Å; D719-R889 IonicContact OD2-CZ 2.67Å; D719-R889 IonicContact OD2-NE 3.91Å; D719-R889 PolarHBondContact OD2-NE 3.35Å; D719-R889 IonicContact OD2-NH2 3.8Å
720R37.7Very low34.8Very low160 Ų160125.2 Ų125.260%0.60467%0.669SS**  trans48108.9153-58.6-179.9178.2-163.2-4.6118.3I886 D888R720-I886 PolarHBondContact NH1-O 3.38Å; R720-D888 PolarHBondContact NH2-O 3.47Å
721G36.6Very low34.9Very low78 Ų78123.7 Ų123.780%0.80466%0.658SS**  trans-75.3145.8152.900000111.9
722M31Very low34.9Very low189 Ų189122.2 Ų122.293%0.93165%0.648SS**  trans-141.2142.4150.9-93-165.9178.400109.6
723D30.9Very low34.1Very low141 Ų141125.6 Ų125.675%0.75465%0.647SS**  trans-58.2154.4-171.6-55.8-58.8000116
724N28.4Very low34.2Very low144 Ų144124.7 Ų124.777%0.7764%0.641SS**  trans43.2109.5141.6-61-39.9000118.9
725I29.5Very low34Very low171 Ų171120.9 Ų120.988%0.87764%0.643SS**  -166149.8110.4-102.2157.8000113D727I725-D727 PolarHBondContact O-N 3.31Å
726V32.6Very low33.9Very low127 Ų127129 Ų12977%0.7768%0.676SS**  trans-54.5116.5175.4-178.10000112.6
727D30.3Very low34Very low93 Ų93131.4 Ų131.450%0.49770%0.698SS.*  -175.2123.9123.6-115.3-20.3000112.3I725I725-D727 PolarHBondContact O-N 3.31Å
728Q36.4Very low33.8Very low202 Ų202131.3 Ų131.394%0.94471%0.714SS**  trans-134.585.2151.5-91-159-100109.4
729I33.5Very low33.9Very low91 Ų91134.3 Ų134.347%0.46772%0.721SS.*  trans-112.7140.5161.3-62.1176.7000107.6K755I729-K755 HydrophobicContact CB-CD 4.22Å; I729-K755 HydrophobicContact CG2-CD 3.86Å
730F28.7Very low33.9Very low158 Ų158140 Ų14069%0.69374%0.742SS**  trans83.2112.3172.5-93.4-143.7000119K755F730-K755 VanDerWaalsContact CD1-NZ 3.33Å
731E37.6Very low34.2Very low139 Ų139135.2 Ų135.265%0.6574%0.742SS**  trans46.4132.5133.8-64.9-154.7119.800121.3
732Y35.5Very low34.1Very low178 Ų178141.9 Ų141.970%0.69875%0.745SS**  -128.698.9128.4-107.3-46.4000111.3K734Y732-K734 VanDerWaalsContact CD1-CA 3.47Å; Y732-K734 HydrophobicContact CD1-CB 3.45Å; Y732-K734 VanDerWaalsContact CD1-CB 3.45Å; Y732-K734 HydrophobicContact CD1-CD 3.96Å; Y732-K734 HydrophobicContact CD1-CG 3.63Å; Y732-K734 HydrophobicContact CD2-CB 4.5Å; Y732-K734 HydrophobicContact CD2-CD 3.86Å; Y732-K734 HydrophobicContact CD2-CG 4.45Å; Y732-K734 HydrophobicContact CE1-CB 3.98Å; Y732-K734 HydrophobicContact CE1-CD 3.88Å; Y732-K734 HydrophobicContact CE1-CG 3.61Å; Y732-K734 HydrophobicContact CE2-CD 3.76Å; Y732-K734 HydrophobicContact CE2-CG 4.42Å; Y732-K734 HydrophobicContact CG-CB 3.74Å; Y732-K734 HydrophobicContact CG-CD 3.95Å; Y732-K734 HydrophobicContact CG-CG 4.06Å; Y732-K734 PolarHBondContact O-N 3.02Å
733I27.7Very low35.1Very low145 Ų145138.8 Ų138.874%0.74474%0.739SS**  -70.194.8126.9-68.5-178.3000105.1G735I733-G735 PolarHBondContact O-N 2.8Å
734K31.3Very low35.6Very low134 Ų134135.5 Ų135.558%0.58374%0.738SS**  trans-87.9102.6175.8-159.2158.1-167.2164.50108.9Y732Y732-K734 VanDerWaalsContact CD1-CA 3.47Å; Y732-K734 HydrophobicContact CD1-CB 3.45Å; Y732-K734 VanDerWaalsContact CD1-CB 3.45Å; Y732-K734 HydrophobicContact CD1-CD 3.96Å; Y732-K734 HydrophobicContact CD1-CG 3.63Å; Y732-K734 HydrophobicContact CD2-CB 4.5Å; Y732-K734 HydrophobicContact CD2-CD 3.86Å; Y732-K734 HydrophobicContact CD2-CG 4.45Å; Y732-K734 HydrophobicContact CE1-CB 3.98Å; Y732-K734 HydrophobicContact CE1-CD 3.88Å; Y732-K734 HydrophobicContact CE1-CG 3.61Å; Y732-K734 HydrophobicContact CE2-CD 3.76Å; Y732-K734 HydrophobicContact CE2-CG 4.42Å; Y732-K734 HydrophobicContact CG-CB 3.74Å; Y732-K734 HydrophobicContact CG-CD 3.95Å; Y732-K734 HydrophobicContact CG-CG 4.06Å; Y732-K734 PolarHBondContact O-N 3.02Å
735G36.8Very low35.7Very low67 Ų67134.4 Ų134.469%0.69173%0.732SS**PPolyproline II helixtrans-64133.2158.600000109I733I733-G735 PolarHBondContact O-N 2.8Å
736E32.9Very low36.1Very low189 Ų189134.7 Ų134.788%0.88373%0.727SS**PPolyproline II helixtrans-75162.1-178-67.1-178.1118.900112.7G738E736-G738 PolarHBondContact O-N 2.67Å
737T38.4Very low36.4Very low144 Ų144131 Ų13188%0.88372%0.715SS**PPolyproline II helixtrans-47124-174.2-500000114.8
738G39.8Very low36.4Very low61 Ų61134.6 Ų134.663%0.62973%0.733SS**PPolyproline II helixtrans-80.4153.6166.600000113.2E736E736-G738 PolarHBondContact O-N 2.67Å
739P38.3Very low36.4Very low133 Ų133129.4 Ų129.486%0.86472%0.72SS**PPolyproline II helixtrans-74.7166.8-176.730.8-35.7000114.4
740K37.9Very low36.8Very low197 Ų197127.6 Ų127.686%0.85772%0.723SS**PPolyproline II helixtrans-69.8135.1-175.5-162.9178-174.8-178.60111.8
741G44.7Very low36.8Very low58 Ų58126.5 Ų126.560%0.59872%0.718SS**  trans-133.4-177.2174.100000112.6
742Y34.8Very low37.1Very low218 Ų218124.6 Ų124.686%0.85572%0.718SS**  trans-156.3167169.8-94.6-48000112.2
743P52.1Low37.3Very low124 Ų124119.8 Ų119.881%0.80572%0.723SS**  trans-99.4-176.5-135.843.3-36.8000114.2
744G40.3Very low37.7Very low72 Ų72122.5 Ų122.574%0.74273%0.732SS**  cis-161.6-144.811.600000113
745D31.3Very low38Very low121 Ų121121.2 Ų121.265%0.64773%0.727SS**  cis-154.7129.34.7-171.826.7000111
746K36.9Very low38.2Very low177 Ų177120.7 Ų120.777%0.7772%0.721SS**  trans54.9145.7172-62138.4-166.9155.40118.4
747G38.3Very low38.6Very low51 Ų51121.7 Ų121.753%0.52672%0.716SS.*  cis130.7135.88.600000109.4
748L31.6Very low38.7Very low167 Ų167124.5 Ų124.587%0.87472%0.72SS**  cis-156.2161.945.8-83.9158000114.5
749S35.6Very low38.4Very low94 Ų94123.6 Ų123.666%0.65771%0.711SS**  trans-72.9162.6178.150.70000115.4
750G43Very low38.7Very low52 Ų52121.9 Ų121.954%0.53669%0.691SS.*  cis118.1120.26.300000113.5
751F27.6Very low38.6Very low135 Ų135120.8 Ų120.859%0.59269%0.686SS**  trans-142.198.3-162.1-84.3-114.2000117.1P321 G322P321-F751 VanDerWaalsContact C-CD1 3.47Å; P321-F751 VanDerWaalsContact CB-CA 3.48Å; P321-F751 HydrophobicContact CB-CB 3.62Å; P321-F751 HydrophobicContact CB-CD1 3.01Å; P321-F751 HydrophobicContact CB-CD2 3.92Å; P321-F751 HydrophobicContact CB-CE1 3.49Å; P321-F751 VanDerWaalsContact CB-CE1 3.49Å; P321-F751 HydrophobicContact CB-CE2 4.29Å; P321-F751 HydrophobicContact CB-CG 3.23Å; P321-F751 HydrophobicContact CB-CZ 4.08Å; P321-F751 HydrophobicContact CG-CD1 4.44Å; P321-F751 HydrophobicContact CG-CG 4.37Å; G322-F751 WeakPolarHBondContact O-CD1 3.49Å; G322-F751 VanDerWaalsContact O-CE1 3.3Å; G322-F751 WeakPolarHBondContact O-CE1 3.06Å
752P43.7Very low38.1Very low100 Ų100118.8 Ų118.865%0.64967%0.666SS**  trans-132.7166.8168.337-21.2000114.9P321P321-P752 WeakPolarHBondContact CD-O 3.39Å
753G39.6Very low38.1Very low77 Ų77113.4 Ų113.479%0.79465%0.651SS**  cis179.9177.80.800000111.2
754E37.1Very low37.4Very low201 Ų201110.4 Ų110.494%0.93964%0.637SS**  trans-119.8159.8-169-78.3-168.4138.100117.7
755K38.3Very low37.8Very low108 Ų108108.1 Ų108.147%0.4761%0.613SS.*  trans-161.8160.7163-111.8168.2-177.9164.10107.4I729 F730I729-K755 HydrophobicContact CB-CD 4.22Å; I729-K755 HydrophobicContact CG2-CD 3.86Å; F730-K755 VanDerWaalsContact CD1-NZ 3.33Å
756G39.9Very low37.9Very low55 Ų55109 Ų10957%0.56762%0.616SS**  cis-153.8172.6-13.700000108.9
757R42.2Very low38.4Very low210 Ų210103 Ų10379%0.79260%0.595SS**  trans-133.3123.9-167.8-107.3-177.2167.5-120.3-5.7115.3E760R757-E760 IonicContact CZ-OE1 2.8Å; R757-E760 IonicContact NH1-OE1 2.72Å; R757-E760 PolarHBondContact NH1-OE1 3.28Å; R757-E760 IonicContact NH2-OE1 3.65Å; R757-E760 PolarHBondContact NH2-OE1 3.23Å
758E39.1Very low38.8Very low203 Ų203103.3 Ų103.395%0.94960%0.598SS**  trans-157.7145.4137-169.2159.4-146.200109
759G34.3Very low38.9Very low43 Ų43105.4 Ų105.444%0.44360%0.6SS.*  cis-148178.1-1.300000112.5F1262G759-F1262 WeakPolarHBondContact O-CE2 3.43Å
760E44.3Very low39Very low97 Ų97110.3 Ų110.345%0.45361%0.613SS.*  trans-124.7101.6-163.8-81.9-140.8-140.700117.7R757 F1262R757-E760 IonicContact CZ-OE1 2.8Å; R757-E760 IonicContact NH1-OE1 2.72Å; R757-E760 PolarHBondContact NH1-OE1 3.28Å; R757-E760 IonicContact NH2-OE1 3.65Å; R757-E760 PolarHBondContact NH2-OE1 3.23Å; E760-F1262 VanDerWaalsContact CA-CD2 3.48Å; E760-F1262 HydrophobicContact CB-CB 4.48Å; E760-F1262 HydrophobicContact CB-CD2 4.25Å; E760-F1262 HydrophobicContact CG-CB 3.88Å; E760-F1262 HydrophobicContact CG-CD2 4.34Å; E760-F1262 HydrophobicContact CG-CG 4.25Å; E760-F1262 WeakPolarHBondContact OE2-CB 3.43Å; E760-F1262 PolarHBondContact OE2-N 2.97Å
761K36.4Very low39.2Very low174 Ų174111.1 Ų111.176%0.75762%0.621SS**SBendtrans-150.4107.7134.7-71.2-157.5179.9-179.30114.1K1260 F1262K761-K1260 CarbonylContact C-O 3Å; K761-K1260 VanDerWaalsContact C-O 3.3Å; K761-K1260 VanDerWaalsContact CA-O 3.27Å; K761-K1260 WeakPolarHBondContact CA-O 3.42Å; K761-K1260 VanDerWaalsContact CB-O 3.28Å; K761-K1260 WeakPolarHBondContact CB-O 3.35Å; K761-F1262 WeakPolarHBondContact O-CE2 3.24Å
762G34.9Very low39.3Very low16 Ų16113.4 Ų113.417%0.16563%0.631CS.*  trans143.949.2156.500000125.2K1260 G1261G762-K1260 VanDerWaalsContact C-CE 3.44Å; G762-K1260 PolarHBondContact N-O 2.83Å; G762-K1260 VanDerWaalsContact N-O 3.12Å; G762-K1260 WeakPolarHBondContact O-CE 3.45Å; G762-K1260 PolarHBondContact O-NZ 3.04Å; G762-G1261 CarbonylContact C-O 3.6Å; G762-G1261 WeakPolarHBondContact CA-O 3.44Å; G762-G1261 PolarHBondContact N-O 2.86Å
763I34.5Very low39.1Very low104 Ų104114.8 Ų114.853%0.53364%0.639SS.*  trans-109.8149.4-178.945147.600095.8G1261 F1262 P1263I763-G1261 PolarHBondContact N-O 2.87Å; I763-F1262 HydrophobicContact CG1-CB 3.95Å; I763-F1262 VanDerWaalsContact N-CA 3.31Å; I763-P1263 VanDerWaalsContact C-N 3.33Å; I763-P1263 HydrophobicContact CB-CB 2.29Å; I763-P1263 HydrophobicContact CB-CG 2.33Å; I763-P1263 VanDerWaalsContact CB-O 3.27Å; I763-P1263 WeakPolarHBondContact CB-O 3.49Å; I763-P1263 HydrophobicContact CG1-CB 3.82Å; I763-P1263 HydrophobicContact CG1-CG 3.85Å; I763-P1263 HydrophobicContact CG2-CB 3.2Å; I763-P1263 HydrophobicContact CG2-CG 2.65Å; I763-P1263 VanDerWaalsContact N-CG 3.33Å; I763-P1263 VanDerWaalsContact O-CA 3.24Å; I763-P1263 WeakPolarHBondContact O-CA 3.3Å
764A36.9Very low39Very low62 Ų62114.6 Ų114.651%0.51264%0.637SS.*  -128.2130.3120.200000109.4P1263A764-P1263 VanDerWaalsContact CA-CA 3.49Å
765G49.2Very low38.7Very low23 Ų23114.8 Ų114.824%0.23764%0.636CS.*  trans-102.7-130.3-15900000118.2P1263 G1264 V1266G765-P1263 VanDerWaalsContact CA-O 3.24Å; G765-P1263 WeakPolarHBondContact CA-O 3.44Å; G765-P1263 PolarHBondContact N-O 2.88Å; G765-P1263 VanDerWaalsContact N-O 3.09Å; G765-G1264 PolarHBondContact N-O 2.91Å; G765-V1266 VanDerWaalsContact O-CB 3.28Å; G765-V1266 WeakPolarHBondContact O-CB 3.33Å
766I33.1Very low38.9Very low140 Ų140115.4 Ų115.472%0.71865%0.651SS**  trans-147.6147.4-173.9-70.2-169.6000113.1S1265I766-S1265 CarbonylContact C-O 3.57Å; I766-S1265 VanDerWaalsContact C-O 3.3Å; I766-S1265 CarbonylContact O-C 3.48Å; I766-S1265 VanDerWaalsContact O-CB 3.24Å; I766-S1265 WeakPolarHBondContact O-CB 3.12Å
767P46Very low38.9Very low51 Ų51116 Ų11633%0.33166%0.657SS.*  trans-87.8168.3-144.7-11.628.3000122.8S1265 V1266 G1267 P1268P767-S1265 VanDerWaalsContact CA-O 3.31Å; P767-S1265 WeakPolarHBondContact CA-O 3.36Å; P767-V1266 WeakPolarHBondContact CA-O 3.24Å; P767-V1266 WeakPolarHBondContact CB-O 3.27Å; P767-V1266 HydrophobicContact CG-CB 4.38Å; P767-V1266 HydrophobicContact CG-CG1 3.75Å; P767-G1267 WeakPolarHBondContact CG-O 3.27Å; P767-P1268 HydrophobicContact CB-CB 4.48Å; P767-P1268 HydrophobicContact CB-CG 3.82Å; P767-P1268 VanDerWaalsContact CB-N 3.31Å
768G47.8Very low38.6Very low57 Ų57112.7 Ų112.759%0.58865%0.654SS**  trans-75.9170.4172.200000117.1
769K33.5Very low38.5Very low212 Ų212111.3 Ų111.392%0.92265%0.648SS**  trans-114.4160.6-171.9-69.7-176.6177.6179.50113.8
770Q37.7Very low38.5Very low196 Ų196112.9 Ų112.992%0.91666%0.664SS**PPolyproline II helixtrans-73.6156.6-173.3-171.1170-10.600113.9
771G46.1Very low37.9Very low69 Ų69113.5 Ų113.571%0.71169%0.686SS**PPolyproline II helixtrans-72.4170.8-17600000115.8
772K31.4Very low38.1Very low184 Ų184110.1 Ų110.180%0.869%0.69SS**PPolyproline II helixtrans-74.2156.1-176.8-66.2-176178.3-177.70112.8
773P38Very low38.5Very low128 Ų128113 Ų11383%0.83172%0.72SS**PPolyproline II helixtrans-63.3154.5178.5-21.133.6000113.8
774G38.9Very low38.6Very low73 Ų73116.1 Ų116.175%0.75373%0.733SS**PPolyproline II helixtrans-96.7157.8172.800000113.2
775F29.7Very low38.7Very low205 Ų205123 Ų12390%0.89975%0.745SS**PPolyproline II helixtrans-83.7148.4170.2-76.6-91.5000111.4
776P42.6Very low38.1Very low122 Ų122125.1 Ų125.179%0.79277%0.768SS**PPolyproline II helixtrans-63.3154.9169.1-21.634.4000113.6
777G40.7Very low38.1Very low67 Ų67123.3 Ų123.369%0.69176%0.759SS**  trans-84.9-159.5177.100000113.9
778L35.7Very low37.7Very low141 Ų141127.5 Ų127.574%0.73877%0.772SS**  cis-161.1167.116.4-76.7176.5000108.3
779Q36.2Very low37.1Very low173 Ų173128.1 Ų128.181%0.80878%0.779SS**  cis-175.9133.9-16.4167.5-171.2-92.800109.7
780G35.1Very low37Very low77 Ų77125.9 Ų125.979%0.79477%0.769SS**  trans135.6148.4169.100000113.5
781A32.1Very low37.3Very low109 Ų109125.1 Ų125.190%0.90177%0.768SS**  cis-134.2-177.6-0.600000111.4
782A40Very low37Very low104 Ų104124.8 Ų124.886%0.8677%0.765SS**  trans-109.1132.4-159.700000117
783G43.6Very low37.9Very low77 Ų77122 Ų12279%0.79477%0.765SS**  trans50123.8130.400000123.8
784E35.3Very low37.8Very low169 Ų169126.4 Ų126.479%0.7977%0.771SS**  -141.4138122.8-79.6-142.2110.400107.3
785R39.4Very low37.5Very low205 Ų205125.8 Ų125.877%0.77477%0.765SS**  78.6133.950179.9179.3-87.6171-2.1112.9D787R785-D787 HydrophobicContact CG-CB 4.09Å
786G38.1Very low38.1Very low69 Ų69122.2 Ų122.271%0.71176%0.762SS**  trans145.378.3170.800000111.4
787D32.8Very low37.5Very low101 Ų101127 Ų12754%0.5477%0.765SS.*  cis53.7129.231.6-84.5-8.6000112.5R785R785-D787 HydrophobicContact CG-CB 4.09Å
788K37.1Very low37.2Very low139 Ų139127.2 Ų127.260%0.60477%0.767SS**  cis-165.6154.23.6-131.3153.4-169.2142.10111.4F790K788-F790 HydrophobicContact CB-CD2 4.4Å; K788-F790 HydrophobicContact CB-CE2 3.76Å; K788-F790 HydrophobicContact CB-CZ 4.18Å; K788-F790 HydrophobicContact CD-CE2 3.98Å; K788-F790 HydrophobicContact CD-CZ 3.66Å; K788-F790 HydrophobicContact CG-CE2 3.89Å; K788-F790 HydrophobicContact CG-CZ 3.77Å
789G35.4Very low36.9Very low70 Ų70126.7 Ų126.772%0.72276%0.764SS**  trans54.5-163.6135.100000117.7
790F31.6Very low37.3Very low166 Ų166124.2 Ų124.273%0.72876%0.763SS**  cis-129.3-173.1-20.3-77.8-81.6000106.1K788K788-F790 HydrophobicContact CB-CD2 4.4Å; K788-F790 HydrophobicContact CB-CE2 3.76Å; K788-F790 HydrophobicContact CB-CZ 4.18Å; K788-F790 HydrophobicContact CD-CE2 3.98Å; K788-F790 HydrophobicContact CD-CZ 3.66Å; K788-F790 HydrophobicContact CG-CE2 3.89Å; K788-F790 HydrophobicContact CG-CZ 3.77Å
791M44Very low37.6Very low180 Ų180123.4 Ų123.489%0.88776%0.755SS**  cis-167.5175.228.2-140.2150.659.700106.6
792G40.2Very low37.8Very low62 Ų62124.7 Ų124.764%0.63975%0.754SS**  cis-164.8163.7700000113.5
793P50.3Low37.7Very low126 Ų126124.9 Ų124.982%0.81875%0.749SS**  trans-90.8143.4-177.735.2-33.8000113.1
794K34.2Very low37.5Very low219 Ų219124.2 Ų124.295%0.95274%0.742SS**  trans-156.1146.6145.1-107173.8-177.71780107.4
795G34.4Very low37.6Very low61 Ų61123.8 Ų123.863%0.62974%0.74SS**  cis-161.6-169.7-0.200000112.2
796P41.9Very low37.6Very low129 Ų129120.2 Ų120.284%0.83874%0.743SS**  trans-63.7166.5170.132.7-37.1000110
797R30.2Very low37.8Very low222 Ų222120.3 Ų120.384%0.83875%0.745SS**  -169142.350.5-174.3178.3-176.2171.2-0.2109.8
798G32.8Very low37.9Very low73 Ų73123.6 Ų123.675%0.75375%0.749SS**  trans-159.591.6176.700000110.7P800G798-P800 WeakPolarHBondContact O-CD 3.28Å
799I30.9Very low37.7Very low129 Ų129123.7 Ų123.766%0.66275%0.75SS**PPolyproline II helixtrans-82.3118.7-175.6-61.7159.5000108.7G801I799-G801 PolarHBondContact O-N 3.29Å
800P43.7Very low38.1Very low121 Ų121123.8 Ų123.879%0.78675%0.75SS**PPolyproline II helixtrans-67.2122.3162.3-14.330.9000108.3G798G798-P800 WeakPolarHBondContact O-CD 3.28Å
801G40.7Very low38.4Very low61 Ų61122.5 Ų122.563%0.62975%0.75SS**PPolyproline II helixtrans-61.9155.1177.300000112.3I799 S803I799-G801 PolarHBondContact O-N 3.29Å; G801-S803 PolarHBondContact O-N 3.28Å
802P36.9Very low37.8Very low135 Ų135123.2 Ų123.288%0.87775%0.748SS**PPolyproline II helixtrans-68.5127.1-175.128.2-34.5000111.6
803S39.3Very low37.9Very low108 Ų108123.2 Ų123.276%0.75575%0.748SS**PPolyproline II helixtrans-84.5133.5154.3-162.70000108.2G801G801-S803 PolarHBondContact O-N 3.28Å
804G38.2Very low37.1Very low63 Ų63124.7 Ų124.765%0.64975%0.748SS**PPolyproline II helixtrans-66.2153.8-170.600000114.5P806G804-P806 WeakPolarHBondContact O-CD 3.18Å
805E37.1Very low37.3Very low161 Ų161122.2 Ų122.275%0.75274%0.744SS**PPolyproline II helixtrans-64.1126.3-178.2-60177.297.900112.9G807 R1303E805-G807 PolarHBondContact O-N 2.93Å; E805-R1303 IonicContact OE2-NH2 3.03Å
806P40.9Very low37.4Very low129 Ų129122.3 Ų122.384%0.83875%0.745SS**PPolyproline II helixtrans-69.9119.1150.1-17.133.3000108.8G804G804-P806 WeakPolarHBondContact O-CD 3.18Å
807G42.1Very low37.2Very low72 Ų72121.8 Ų121.874%0.74274%0.742SS**PPolyproline II helixtrans-65.8167-164.800000117E805E805-G807 PolarHBondContact O-N 2.93Å
808R33.9Very low37.4Very low169 Ų169120.5 Ų120.564%0.63874%0.743SS**PPolyproline II helixtrans-69.7152.3176-73.9173.7168.8-96.56.9112G1299R808-G1299 PolarHBondContact NH1-O 2.66Å
809K33.7Very low37.8Very low142 Ų142120.4 Ų120.462%0.61774%0.741SS**PPolyproline II helixtrans-60.3142.4179.9-66.8178.8173.865.70113.3P1297 P1298K809-P1297 VanDerWaalsContact CD-O 3.24Å; K809-P1297 WeakPolarHBondContact CD-O 3.35Å; K809-P1297 VanDerWaalsContact CE-O 3.24Å; K809-P1297 WeakPolarHBondContact CE-O 3.42Å; K809-P1298 HydrophobicContact CB-CG 4.25Å; K809-P1298 HydrophobicContact CD-CB 4.12Å; K809-P1298 HydrophobicContact CD-CG 4.03Å
810G42.2Very low37.9Very low71 Ų71121.1 Ų121.173%0.73275%0.746SS**PPolyproline II helixtrans-82.2167.9150.100000112.7
811I38.1Very low38.1Very low139 Ų139120.9 Ų120.971%0.71374%0.744SS**  trans-145149.4176.935.6171.9000106.8
812K32.8Very low37.9Very low195 Ų195121.1 Ų121.185%0.84875%0.747SS**  cis-157.616612.4-145.9177.2-178.5-179.10110.4
813G42.4Very low37.7Very low62 Ų62121.2 Ų121.264%0.63975%0.747SS**  trans121.6110.417200000111.5
814L32.7Very low37.4Very low158 Ų158119.9 Ų119.983%0.82774%0.743SS**  62.8123.657.3-58.5164.2000111.3
815L38.2Very low37.2Very low166 Ų166120.3 Ų120.387%0.86975%0.747SS**  cis-139.1172.217.1-162.163.9000111.9
816G37.7Very low37.1Very low63 Ų63118.4 Ų118.465%0.64974%0.742SS**  trans-89.1-146.1174.900000113.5
817P36.4Very low37.4Very low119 Ų119119.7 Ų119.777%0.77374%0.74SS**  cis-144.9171.10.943-25000117.9
818K35.5Very low38Very low195 Ų195118.4 Ų118.485%0.84873%0.727SS**  trans63.9164.5151.6-83.3-177.4174.4179.90120.4L820K818-L820 HydrophobicContact CG-CD1 4.32Å
819G39.6Very low37.9Very low70 Ų70119.2 Ų119.272%0.72274%0.738SS**  trans9877.4-172.900000111.7
820L33.5Very low38.1Very low144 Ų144123.5 Ų123.575%0.75475%0.75SS**  cis67.7135.137.4-73.7179000113.8K818K818-L820 HydrophobicContact CG-CD1 4.32Å
821P48.6Very low37.9Very low117 Ų117122.5 Ų122.576%0.7674%0.74SS**  -136.4169.3-10141-26.6000116.2
822G35.8Very low37.8Very low66 Ų66121.2 Ų121.268%0.6874%0.741SS**  trans83.2-174.7179.200000112.8
823P33.2Very low37.5Very low137 Ų137117.2 Ų117.289%0.8974%0.737SS**  cis-84.8-160.31.7-10.330.2000113.7
824A32.1Very low37.3Very low79 Ų79117.8 Ų117.865%0.65374%0.743SS**  trans-60.1139.4175.100000112.7D826A824-D826 VanDerWaalsContact C-N 3.35Å; A824-D826 PolarHBondContact O-N 2.75Å
825G35.6Very low37Very low72 Ų72117.2 Ų117.274%0.74274%0.74SS**  trans-78.990.9144.100000108.2I827G825-I827 PolarHBondContact O-N 2.9Å; G825-I827 VanDerWaalsContact O-N 3.12Å
826D34.6Very low36.8Very low122 Ų122115.1 Ų115.165%0.65274%0.736SS**  trans-58.4109.6152.8-76.6-46.1000105.4A824 G828A824-D826 VanDerWaalsContact C-N 3.35Å; A824-D826 PolarHBondContact O-N 2.75Å; D826-G828 CarbonylContact C-O 3.36Å; D826-G828 CarbonylContact O-C 3.51Å; D826-G828 VanDerWaalsContact O-C 3.28Å; D826-G828 WeakPolarHBondContact O-CA 3.36Å; D826-G828 VanDerWaalsContact O-O 3.06Å
827I46.8Very low36.6Very low156 Ų156114.1 Ų114.180%0.873%0.726SS**SBend59.966.388.9-56.8169000108.4G825G825-I827 PolarHBondContact O-N 2.9Å; G825-I827 VanDerWaalsContact O-N 3.12Å
828G54.7Low36.3Very low45 Ų45118 Ų11846%0.46473%0.731SS.*  126.8123.4-10900000106.4D826D826-G828 CarbonylContact C-O 3.36Å; D826-G828 CarbonylContact O-C 3.51Å; D826-G828 VanDerWaalsContact O-C 3.28Å; D826-G828 WeakPolarHBondContact O-CA 3.36Å; D826-G828 VanDerWaalsContact O-O 3.06Å
829E31.9Very low36Very low186 Ų186113.2 Ų113.287%0.86972%0.722SS**  cis-72.390.1-6.9-63-175.3163.400111.6G831E829-G831 PolarHBondContact O-N 2.77Å
830R37.7Very low36.1Very low232 Ų232114 Ų11488%0.87572%0.722SS**  trans-75.879.8157.4-179.1-173.7-83.7-161.1-4.3107.1
831G38.1Very low36.6Very low49 Ų49113.1 Ų113.151%0.50572%0.722SS.*  trans62.3111.5160.900000116.7E829 S833E829-G831 PolarHBondContact O-N 2.77Å; G831-S833 PolarHBondContact O-N 2.61Å
832P35Very low36Very low113 Ų113111.4 Ų111.473%0.73473%0.727SS**PPolyproline II helix-47117.6113.828.8-33.8000108.2
833S27.6Very low35.9Very low111 Ų111117.3 Ų117.378%0.77674%0.736SS**PPolyproline II helixtrans-65.2143.7173.9-67.80000109.1G831 L835G831-S833 PolarHBondContact O-N 2.61Å; S833-L835 PolarHBondContact O-N 2.88Å
834G38.3Very low36.1Very low74 Ų74120.8 Ų120.876%0.76374%0.737SS**PPolyproline II helixtrans-62.9126.718000000111.9
835L26.8Very low36.3Very low145 Ų145120.3 Ų120.376%0.75974%0.74SS**  trans-157.2120.8169.2-102.8168.9000107.7S833 F838S833-L835 PolarHBondContact O-N 2.88Å; L835-F838 HydrophobicContact CD2-CE2 4.41Å
836P32.8Very low36.5Very low122 Ų122125.7 Ų125.779%0.79275%0.746SS**SBendcis-90.7140.7-154.117.9000111
837G33.8Very low36.8Very low42 Ų42129.1 Ų129.143%0.43376%0.758SS.*  cis72.1129.53.300000112.4
838F30.6Very low36.7Very low201 Ų201124.8 Ų124.888%0.88275%0.752SS**  trans64.4157.5-171-40.8-81.1000113L835L835-F838 HydrophobicContact CD2-CE2 4.41Å
839S29Very low35.8Very low94 Ų94129.1 Ų129.166%0.65777%0.77SS**  cis-120.6168.2-1.656.90000111.2T841S839-T841 PolarHBondContact OG-O 3.41Å
840A40.6Very low36Very low86 Ų86128.4 Ų128.471%0.71177%0.766SS**SBendtrans-69.9142.9146.400000107.9
841T44.4Very low36Very low126 Ų126120.5 Ų120.577%0.77376%0.757SS**  trans63.8156170.754.30000117.4S839S839-T841 PolarHBondContact OG-O 3.41Å
842G37.2Very low35.7Very low82 Ų82127.6 Ų127.685%0.84577%0.774SS**  trans-162.6-6.6-171.600000116.8
843E33.9Very low35.9Very low190 Ų190127.6 Ų127.689%0.88877%0.774SS**SBendtrans-104.3140147.9-70.9-169.1140.300106.3
844K36.1Very low36.3Very low210 Ų210125.4 Ų125.491%0.91377%0.769SS**  cis-154.8133.9-0.5162.2-174.4173.9-176.60107.4
845G37Very low36.7Very low68 Ų68127 Ų12770%0.70177%0.765SS**  trans169.686.3177.300000116.1
846E40Very low37.1Very low186 Ų186126.4 Ų126.487%0.86977%0.77SS**  trans57.1138.7143.6-73.9155.3-162.300123.6
847E39.8Very low37.4Very low193 Ų193123.5 Ų123.590%0.90276%0.763SS**  30.3136.8128-152.4159.5-147.700120.7
848G45.9Very low37.1Very low66 Ų66132.6 Ų132.668%0.6878%0.784SS**  cis-157.6-16011.600000113.7
849T35Very low37.2Very low136 Ų136131.3 Ų131.383%0.83478%0.778SS**  trans-117.8164.1-15857.50000116.3
850Q36.9Very low37.6Very low171 Ų171130.5 Ų130.580%0.79979%0.785SS**  trans67.7115.2149.1-174.2178-52.600120.7
851G37.4Very low36.9Very low65 Ų65132.7 Ų132.767%0.6778%0.783SS**  trans82.2156.3145.100000116.9
852F32Very low36.8Very low198 Ų198132.2 Ų132.287%0.86878%0.782SS**  cis-150.3-168.7-7.7-119-39.8000109.5
853P38.4Very low36.7Very low114 Ų114131.8 Ų131.874%0.7478%0.777SS**  trans-93.8170.9-147.540.7-34.7000115.1
854G35.6Very low36.9Very low64 Ų64130.6 Ų130.666%0.6678%0.775SS**  trans-80.8-140159.300000111.7
855P48.3Very low37Very low107 Ų107128.7 Ų128.770%0.69577%0.767SS**  cis-93.6-134.5-7.243.5-36000108.7
856P34.8Very low37.2Very low133 Ų133128.9 Ų128.986%0.86477%0.769SS**  cis-77.3175.80.435.1-38.2000113
857G37.8Very low36.9Very low61 Ų61126.3 Ų126.363%0.62976%0.757SS**  cis-142.6136.4-14.300000108
858R28.6Very low36.7Very low233 Ų233126.6 Ų126.688%0.87976%0.756SS**  45.191.469.8-76.9-165.6175.9-162.41.8113.8
859K31.7Very low36.2Very low174 Ų174126.8 Ų126.876%0.75776%0.757SS**  53.292114.2-104.6-175.4179.8-176.30116.7I861K859-I861 HydrophobicContact CB-CD1 3.93Å; K859-I861 HydrophobicContact CB-CG1 3.75Å; K859-I861 HydrophobicContact CD-CD1 4.25Å; K859-I861 HydrophobicContact CD-CG1 4.02Å; K859-I861 HydrophobicContact CG-CD1 4.41Å; K859-I861 HydrophobicContact CG-CG1 3.89Å; K859-I861 WeakPolarHBondContact O-CD1 3.16Å
860G37.5Very low36.5Very low78 Ų78127.2 Ų127.280%0.80476%0.759SS**  -82124.5112.700000106.9
861I27.7Very low36.3Very low131 Ų131129.2 Ų129.267%0.67276%0.759SS**  cis66.6122.625.7-49.6176.6000110.1K859K859-I861 HydrophobicContact CB-CD1 3.93Å; K859-I861 HydrophobicContact CB-CG1 3.75Å; K859-I861 HydrophobicContact CD-CD1 4.25Å; K859-I861 HydrophobicContact CD-CG1 4.02Å; K859-I861 HydrophobicContact CG-CD1 4.41Å; K859-I861 HydrophobicContact CG-CG1 3.89Å; K859-I861 WeakPolarHBondContact O-CD1 3.16Å
862P42Very low36.5Very low117 Ų117129.7 Ų129.776%0.7677%0.765SS**  -125.3168.3-116.341.6-31.1000114.9
863G35.4Very low36.6Very low72 Ų72123.8 Ų123.874%0.74275%0.753SS**  trans77.8-171.7-175.500000112.2
864I36.8Very low36.2Very low165 Ų165125.5 Ų125.585%0.84676%0.755SS**  cis-139.61332.516.4172.9000110.9G866I864-G866 PolarHBondContact O-N 2.89Å
865K39.2Very low36.3Very low170 Ų170126.3 Ų126.374%0.73976%0.764SS**  trans26.391.5139.3-172.3176.8175.8-68.70117.1E867K865-E867 WeakPolarHBondContact CE-OE1 3.47Å; K865-E867 HydrophobicContact CG-CG 4.08Å; K865-E867 IonicContact NZ-OE1 2.61Å; K865-E867 PolarHBondContact NZ-OE1 2.93Å
866G39.7Very low36.1Very low72 Ų72129.4 Ų129.474%0.74277%0.774SS**  trans-144.583.3152.700000107.1I864I864-G866 PolarHBondContact O-N 2.89Å
867E34Very low36.1Very low132 Ų132128.6 Ų128.662%0.61777%0.768SS**  58.7102.585.7-61.8-159165.300112K865K865-E867 WeakPolarHBondContact CE-OE1 3.47Å; K865-E867 HydrophobicContact CG-CG 4.08Å; K865-E867 IonicContact NZ-OE1 2.61Å; K865-E867 PolarHBondContact NZ-OE1 2.93Å
868K36.4Very low35.9Very low200 Ų200129.1 Ų129.187%0.8777%0.774SS**  91.4107.362.7174.5-164.6173.2-168.90110.6
869G34.8Very low36Very low69 Ų69126.2 Ų126.271%0.71178%0.775SS**  trans151.1135174.800000110.2
870V40.6Very low35.9Very low145 Ų145125.6 Ų125.688%0.87978%0.78SS**  cis-137.1141.2-5.2-174.90000110.4G872V870-G872 PolarHBondContact O-N 3.11Å
871R34.4Very low36.4Very low213 Ų213125.2 Ų125.280%0.80478%0.776SS**  trans-42.9122.6165.6170.5-167.6-68.6154.7-7113.4
872G41.1Very low36.7Very low76 Ų76125.2 Ų125.278%0.78479%0.785SS**  trans-12190.8138.100000106.6V870V870-G872 PolarHBondContact O-N 3.11Å
873A33.5Very low36.3Very low74 Ų74127.3 Ų127.361%0.61278%0.782SS**  70.691.185.800000110.4
874D31Very low36.2Very low149 Ų149127.1 Ų127.180%0.79778%0.78SS**  79.7113.981.4-69.6-43.8000111
875G37.5Very low36Very low82 Ų82126.1 Ų126.185%0.84577%0.772SS**  trans-169.637.6-165.100000116.5
876L42.9Very low35.8Very low171 Ų171125.3 Ų125.390%0.89577%0.774SS**  trans-68.4157.8153.4-68.1169.5000108.5
877P35Very low35.4Very low116 Ų116123.9 Ų123.975%0.75376%0.76SS**  cis-132-168.32042.4-25.5000113.8
878G34.4Very low35.6Very low73 Ų73123.9 Ų123.975%0.75376%0.764SS**  trans-80.5142.2166.500000112.6
879L31.5Very low35.5Very low171 Ų171121 Ų12190%0.89575%0.747SS**  trans-147.9155.8158.9-107.4175.9000109.2
880N28.3Very low35.4Very low162 Ų162120 Ų12087%0.86674%0.737SS**PPolyproline II helixtrans-69.9135.3179.7-68.5-37.8000110.7
881G48Very low35.5Very low70 Ų70116.5 Ų116.572%0.72272%0.717SS**PPolyproline II helixtrans-76.1156.1-179.900000113.9
882P34.3Very low35.5Very low131 Ų131111.5 Ų111.585%0.85170%0.702SS**PPolyproline II helixtrans-88.5154.3169.435.2-33.1000112.9G884P882-G884 PolarHBondContact O-N 3.03Å
883K34.2Very low35.4Very low160 Ų160111 Ų11170%0.69670%0.696SS**  trans-66.2107.7171169.4-172.4169.1-78.20112.1E885K883-E885 VanDerWaalsContact CE-OE1 3.28Å; K883-E885 WeakPolarHBondContact CE-OE1 3.46Å; K883-E885 IonicContact NZ-OE1 3.83Å; K883-E885 PolarHBondContact NZ-OE1 3.5Å; K883-E885 VanDerWaalsContact NZ-OE1 3.16Å; K883-E885 IonicContact NZ-OE2 3.36Å; K883-E885 PolarHBondContact NZ-OE2 3.1Å
884G32.5Very low36.3Very low68 Ų68116.5 Ų116.570%0.70171%0.709SS**  57.5-172.8127.500000122.6P882P882-G884 PolarHBondContact O-N 3.03Å
885E32.2Very low36.5Very low144 Ų144118.5 Ų118.567%0.67372%0.718SS**  trans62.392.6154.3-64.1164.3-160.300119.2K883K883-E885 VanDerWaalsContact CE-OE1 3.28Å; K883-E885 WeakPolarHBondContact CE-OE1 3.46Å; K883-E885 IonicContact NZ-OE1 3.83Å; K883-E885 PolarHBondContact NZ-OE1 3.5Å; K883-E885 VanDerWaalsContact NZ-OE1 3.16Å; K883-E885 IonicContact NZ-OE2 3.36Å; K883-E885 PolarHBondContact NZ-OE2 3.1Å
886I35.1Very low36Very low153 Ų153116.8 Ų116.879%0.78570%0.7SS**  -175.9-176.2108.4-95.7165.9000111.7R720R720-I886 PolarHBondContact NH1-O 3.38Å
887G32.8Very low35.3Very low43 Ų43112.8 Ų112.844%0.44368%0.677SS.*  trans-58.5-176.5170.100000114.5
888D37.6Very low35.1Very low132 Ų132112.4 Ų112.471%0.70667%0.674SS**  cis-132.7145.323.7-66-50000116.4R720R720-D888 PolarHBondContact NH2-O 3.47Å
889R34.5Very low35.1Very low138 Ų138111 Ų11152%0.52166%0.66SS.*  18.3106120.5-107.9-172.6157.9-151.2-15.2119.2K717 D719K717-R889 HydrophobicContact CD-CG 4.33Å; K717-R889 WeakPolarHBondContact CE-O 3.38Å; K717-R889 HydrophobicContact CG-CG 4.43Å; K717-R889 PolarHBondContact NZ-O 2.86Å; D719-R889 VanDerWaalsContact CG-CG 3.44Å; D719-R889 WeakPolarHBondContact OD1-CA 3.33Å; D719-R889 WeakPolarHBondContact OD1-CG 3.18Å; D719-R889 WeakPolarHBondContact OD2-CG 3.32Å; D719-R889 IonicContact OD2-CZ 2.67Å; D719-R889 IonicContact OD2-NE 3.91Å; D719-R889 PolarHBondContact OD2-NE 3.35Å; D719-R889 IonicContact OD2-NH2 3.8Å
890G33Very low35.2Very low48 Ų48109.4 Ų109.450%0.49565%0.648SS.*  trans-69.2-138.3-18000000117.7K717K717-G890 WeakPolarHBondContact CE-O 3.46Å; K717-G890 PolarHBondContact NZ-O 3.16Å
891P40.9Very low35.4Very low72 Ų72105.3 Ų105.347%0.46863%0.629SS.*  cis-140.6-157.61.547.1-28.3000114.6K717K717-P891 HydrophobicContact CB-CB 4.49Å; K717-P891 HydrophobicContact CB-CG 3.94Å; K717-P891 HydrophobicContact CG-CG 4.18Å
892K35.8Very low34.9Very low109 Ų109111.9 Ų111.947%0.47463%0.633SS.*  trans70.8137.4155.4-170.6-167.2179.7-156.60117.2K714 E897K714-K892 HydrophobicContact CG-CD 4.45Å; K892-E897 VanDerWaalsContact CE-CG 3.48Å; K892-E897 VanDerWaalsContact NZ-CG 3.33Å; K892-E897 IonicContact NZ-OE1 3.6Å; K892-E897 PolarHBondContact NZ-OE1 3.41Å
893G38.8Very low34.9Very low65 Ų65115 Ų11567%0.6764%0.636SS**  cis150.8154.6-3.200000111.2
894E52.5Low34.8Very low190 Ų190110 Ų11089%0.88863%0.631SS**SBendtrans-80156.6166.7-69.5-171.1-179.500110.7G896E894-G896 WeakPolarHBondContact O-CA 3.28Å; E894-G896 PolarHBondContact O-N 3Å
895I34.2Very low34.8Very low190 Ų190115.1 Ų115.197%0.97464%0.638SS**SBendtrans-67.3114.5-160.2-59.1174000111.9
896G28.2Very low34.8Very low46 Ų46117.7 Ų117.747%0.47465%0.647SS.*  cis164.7152.7-15.500000114E894E894-G896 WeakPolarHBondContact O-CA 3.28Å; E894-G896 PolarHBondContact O-N 3Å
897E27.4Very low34.7Very low88 Ų88113.6 Ų113.641%0.41164%0.643SS.*  trans72.6161.7168.8-54.8-177.3176.700116.5E713 K714 K892E713-E897 WeakPolarHBondContact CA-OE2 3.34Å; K714-E897 WeakPolarHBondContact CA-OE1 3.49Å; K714-E897 PolarHBondContact N-OE1 3.31Å; K714-E897 PolarHBondContact N-OE2 2.86Å; K892-E897 VanDerWaalsContact CE-CG 3.48Å; K892-E897 VanDerWaalsContact NZ-CG 3.33Å; K892-E897 IonicContact NZ-OE1 3.6Å; K892-E897 PolarHBondContact NZ-OE1 3.41Å
898P30.4Very low35.2Very low107 Ų107117.4 Ų117.470%0.69566%0.66SS**  cis-127.8-171.7-30.731-11.6000112.7G715G715-P898 VanDerWaalsContact CA-CB 3.48Å
899G35.6Very low35.1Very low43 Ų43120.3 Ų120.344%0.44367%0.666SS.*  trans99.3125.2167.100000113.8E716E716-G899 CarbonylContact O-C 3.12Å
900E34Very low35.5Very low139 Ų139116.8 Ų116.865%0.6567%0.673SS**  69.9147.560.9-73.8-156.490.100114.9E716E716-E900 HydrophobicContact CB-CB 4.49Å; E716-E900 HydrophobicContact CB-CG 3.6Å; E716-E900 HydrophobicContact CG-CG 3.68Å; E716-E900 PolarHBondContact O-N 2.72Å
901V31.4Very low35.6Very low76 Ų76122.1 Ų122.146%0.46169%0.688SS.*  cis158.5157.4-20.5137.50000105.5
902Y37Very low35.5Very low207 Ų207126.2 Ų126.281%0.81270%0.699SS**  trans61.6108.9174.2-75.5-53.8000121.1G904Y902-G904 PolarHBondContact O-N 2.77Å
903Q34.4Very low35.9Very low196 Ų196123.3 Ų123.392%0.91670%0.7SS**SBend-33.2102.1120.6174.6-167.649.300111.3
904G31.8Very low35.9Very low57 Ų57127.4 Ų127.459%0.58870%0.702SS**  trans-165139.1-176.700000114.7Y902Y902-G904 PolarHBondContact O-N 2.77Å
905M33Very low35.7Very low175 Ų175125.6 Ų125.686%0.86270%0.704SS**  trans52.197.5152-52-164.479.200119.2
906K32.1Very low36Very low198 Ų198119.4 Ų119.486%0.86169%0.686SS**  64.697.1116.2-170.3-163.1177.2-173.10117.5
907G32.7Very low36.9Very low67 Ų67125.7 Ų125.769%0.69171%0.708SS**  116.4-177.7104.800000118.2
908P44.7Very low37.5Very low123 Ų123126.1 Ų126.180%0.79972%0.719SS**  trans-106.5163-15038.8-35.6000116
909K34.6Very low37.4Very low193 Ų193124.8 Ų124.884%0.83973%0.725SS**  trans73.8137.9-171.9-56.8-175.7175.2-174.80113.1
910G42.6Very low37.3Very low64 Ų64128.7 Ų128.766%0.6674%0.739SS**  cis97.2161.51.800000114.3
911I36.5Very low37.1Very low160 Ų160129.9 Ų129.982%0.82175%0.75SS**  trans59.8144-172.761.1167.9000115.1
912K37.3Very low37.2Very low157 Ų157129.6 Ų129.668%0.68376%0.763SS**  cis-152.5176.37-151.7-171.5154.1-66.10110.8E914K912-E914 IonicContact NZ-OE1 3.19Å; K912-E914 PolarHBondContact NZ-OE1 3.29Å; K912-E914 IonicContact NZ-OE2 2.71Å; K912-E914 PolarHBondContact NZ-OE2 3.45Å
913G44Very low37.1Very low49 Ų49125.7 Ų125.751%0.50576%0.763SS.*  trans-103.9-153.5157.900000112
914E38.8Very low37.1Very low150 Ų150124.8 Ų124.870%0.70176%0.756SS**  cis-140.1-155.78.8-64.279.556.200110.3K912K912-E914 IonicContact NZ-OE1 3.19Å; K912-E914 PolarHBondContact NZ-OE1 3.29Å; K912-E914 IonicContact NZ-OE2 2.71Å; K912-E914 PolarHBondContact NZ-OE2 3.45Å
915T50.1Low37Very low153 Ų153124.9 Ų124.994%0.93976%0.757SS**SBendtrans-60.3132.3176.7-52.50000111.4
916G40.5Very low36.8Very low59 Ų59119.4 Ų119.461%0.60873%0.731SS**  cis-153.1-155.63.500000113.7
917L46.5Very low37.2Very low178 Ų178112.6 Ų112.693%0.93271%0.707SS**PPolyproline II helixtrans-61.2156.6-172.5-79.5173.9000113.7
918P40.1Very low37.2Very low98 Ų98112.2 Ų112.264%0.63670%0.703SS**PPolyproline II helixtrans-78.7146.5-137.728.5-37.1000115.4V920P918-V920 PolarHBondContact O-N 3.19Å
919G27.7Very low36.5Very low79 Ų79114.2 Ų114.281%0.81470%0.702SS**PPolyproline II helixtrans-68.9118.6141.100000108.6
920V33.1Very low36.4Very low124 Ų124110.1 Ų110.175%0.75269%0.689SS**  trans-69.6176.1173.9-73.30000111.9P918P918-V920 PolarHBondContact O-N 3.19Å
921D31.3Very low35.8Very low165 Ų165117.1 Ų117.188%0.88270%0.696SS**  trans-32143.3179-50-69.9000115.3
922G31.8Very low35.9Very low70 Ų70119 Ų11972%0.72270%0.698SS**  cis162-15111.700000107.6
923P35.4Very low36Very low124 Ų124116.5 Ų116.581%0.80570%0.698SS**  cis-126-166.2-13.142.5-27.4000112.3G925P923-G925 PolarHBondContact O-N 3.35Å
924K34Very low35.2Very low177 Ų177119.6 Ų119.677%0.7771%0.707SS**  trans5106.6147.2-178.1-169.7178.9-171.30115.5
925G31.3Very low35Very low60 Ų60119.8 Ų119.862%0.61971%0.711SS**  95.8165.794.500000111.3P923P923-G925 PolarHBondContact O-N 3.35Å
926D27.8Very low34.1Very low59 Ų59116.4 Ų116.432%0.31670%0.699SS.*  cis-156.5175.6-10.4-90-56000106.3Q698 K699Q698-D926 HydrophobicContact CG-CB 3.6Å; K699-D926 VanDerWaalsContact CD-CG 3.45Å; K699-D926 WeakPolarHBondContact CD-OD1 3.24Å; K699-D926 WeakPolarHBondContact CD-OD2 3.5Å; K699-D926 IonicContact NZ-OD1 2.9Å; K699-D926 PolarHBondContact NZ-OD1 3.13Å; K699-D926 IonicContact NZ-OD2 2.65Å; K699-D926 PolarHBondContact NZ-OD2 3.09Å
927P41Very low33.9Very low55 Ų55121.9 Ų121.936%0.35771%0.711SS.*  trans-74.2151.8-157.931.4-36.7000114.5F695 D696 Q698F695-P927 HydrophobicContact CD1-CB 3.75Å; F695-P927 HydrophobicContact CD1-CG 4.17Å; F695-P927 HydrophobicContact CE1-CB 3.76Å; F695-P927 HydrophobicContact CE1-CG 4.28Å; D696-P927 VanDerWaalsContact OD1-C 3.29Å; D696-P927 WeakPolarHBondContact OD1-CB 3.29Å; D696-P927 WeakPolarHBondContact OD1-CG 3.19Å; D696-P927 VanDerWaalsContact OD1-O 3.12Å; Q698-P927 PolarHBondContact NE2-O 3.3Å
928G32Very low33.2Very low59 Ų59123.3 Ų123.361%0.60871%0.71SS**  trans177.8154.7136.700000119.9D696D696-G928 VanDerWaalsContact OD1-CA 3.3Å; D696-G928 WeakPolarHBondContact OD1-CA 3.23Å; D696-G928 WeakPolarHBondContact OD2-CA 3.5Å
929E30.9Very low33.2Very low166 Ų166122.2 Ų122.278%0.77672%0.717SS**  trans28.4141.9164.8-73.4-174.7136.700124.9D696D696-E929 PolarHBondContact OD2-N 3.47Å; D696-E929 VanDerWaalsContact OD2-N 3.09Å
930D32.5Very low33.7Very low107 Ų107126.7 Ų126.757%0.57272%0.721SS**  trans97.2137.5130.1-102.8-19.8000127
931R30.1Very low34.2Very low210 Ų210127.1 Ų127.179%0.79273%0.726SS**  trans62.6109.3145.7-79.5172.5-117.3-169.45122.9
932F37.9Very low34.8Very low200 Ų200122.4 Ų122.488%0.87772%0.717SS**  -46.4146.4127.1-75.3-92.1000110
933P39.2Very low35.6Very low104 Ų104125.1 Ų125.168%0.67572%0.722SS**  -159.61716442.7-20.8000120.1
934T27.2Very low35.9Very low114 Ų114124.9 Ų124.970%0.69972%0.723SS**  trans60.1132.2140.448.60000125.2
935I34.7Very low36.3Very low154 Ų154119.6 Ų119.679%0.7972%0.719SS**  trans88104.5134.3-68.8165000119.9
936A31.8Very low37Very low83 Ų83122.9 Ų122.969%0.68673%0.729SS**  trans38.3128.713700000122
937M36.6Very low37.9Very low173 Ų173130.3 Ų130.385%0.85275%0.753SS**  -166.515386.7-95-179.575.100112.7
938K31.1Very low37.6Very low208 Ų208130.2 Ų130.290%0.90476%0.762SS**  trans20.795.1166.4-81.2-179.5170.4176.50118.2
939G39.2Very low37.9Very low76 Ų76133.8 Ų133.878%0.78477%0.774SS**  trans-118.1148.6157.900000111.2
940L39.3Very low38.6Very low172 Ų172133.1 Ų133.190%0.90177%0.771SS**  trans-69.7150.2179.9-72.8155.1000111.9G942L940-G942 PolarHBondContact O-N 3.34Å
941P43.5Very low38.8Very low133 Ų133130.7 Ų130.786%0.86477%0.772SS**  trans-70.1128.7178.928.7-34.4000112
942G43Very low39.2Very low67 Ų67127.1 Ų127.169%0.69178%0.776SS**  trans-179.9172.6168.100000112L940L940-G942 PolarHBondContact O-N 3.34Å
943P48.2Very low39.2Very low127 Ų127127.6 Ų127.683%0.82578%0.777SS**  cis-107.6151.3-7.837-27.7000112.2
944S42.9Very low39.4Very low118 Ų118125.6 Ų125.683%0.82578%0.776SS**PPolyproline II helixtrans-68.8133.9154-600000108.8
945G41.4Very low39.7Very low67 Ų67128.6 Ų128.669%0.69179%0.787SS**SBendtrans-53.3144.1170.600000110.9R947G945-R947 PolarHBondContact O-N 3.42Å
946P47.1Very low40Very low128 Ų128127 Ų12783%0.83179%0.787SS**PPolyproline II helixtrans-67.2119.6-150.522.9-34.6000114.5
947R47.2Very low40.6Very low216 Ų216126.2 Ų126.282%0.81579%0.787SS**  trans-80.6111.6145.4173.3-179.5173.3167.8-2.3107.5G945 E950G945-R947 PolarHBondContact O-N 3.42Å; R947-E950 IonicContact CZ-OE2 2.76Å; R947-E950 IonicContact NE-OE2 2.69Å; R947-E950 PolarHBondContact NE-OE2 2.94Å; R947-E950 IonicContact NH2-OE2 2.64Å; R947-E950 PolarHBondContact NH2-OE2 2.99Å
948G33.7Very low40.7Very low53 Ų53125.6 Ų125.655%0.54679%0.787SS.*  trans159.6158.1171.100000112.6
949P38.2Very low41Very low133 Ų133121.8 Ų121.886%0.86478%0.781SS**  cis-81.9142.71.832.5-34.3000113.4
950E45.6Very low41Very low152 Ų152121.3 Ų121.371%0.7178%0.776SS**  trans-115.7135.7156.7-179.4-179.5155.500107.1R947R947-E950 IonicContact CZ-OE2 2.76Å; R947-E950 IonicContact NE-OE2 2.69Å; R947-E950 PolarHBondContact NE-OE2 2.94Å; R947-E950 IonicContact NH2-OE2 2.64Å; R947-E950 PolarHBondContact NH2-OE2 2.99Å
951G38Very low40.9Very low57 Ų57121.3 Ų121.359%0.58878%0.776SS**  trans102.9164.8-173.500000113.6
952P37.2Very low40.9Very low135 Ų135120.9 Ų120.988%0.87777%0.773SS**  cis-83.914514.632.3-35.7000115.1
953K37.8Very low40.7Very low209 Ų209121.2 Ų121.291%0.90978%0.777SS**  trans-79.2128.4161.8-168.6175.6-1771780107.1
954G43.1Very low40.7Very low63 Ų63127 Ų12765%0.64978%0.782SS**  trans-81.9-161.4-168.700000116.2
955L34.3Very low40.6Very low176 Ų176128.3 Ų128.392%0.92179%0.785SS**  trans103.2154.3-172.1-63.7167.8000113.5
956P41.5Very low40.8Very low122 Ų122128.1 Ų128.179%0.79278%0.783SS**  cis-110.2174.3-8.938.9-27.9000113.2
957G43.5Very low41Very low66 Ų66128.4 Ų128.468%0.6879%0.785SS**  trans-117.1160.6174.100000113.3
958N38.5Very low40.7Very low160 Ų160124.2 Ų124.286%0.85679%0.789SS**  trans-161.9141.9175.6-86-33.5000107
959T38.6Very low41Very low128 Ų128124.9 Ų124.979%0.78580%0.796SS**  cis-150.2144.4-13.2-63.70000106.8
960G38.4Very low41.2Very low65 Ų65124.9 Ų124.967%0.6780%0.796SS**  trans-93.9169.7-176.400000115.2
961L37.4Very low40.9Very low172 Ų172123.9 Ų123.990%0.90181%0.805SS**  trans-131156162.7-78.4179.6000110.3
962P43.4Very low40.7Very low124 Ų124124.9 Ų124.981%0.80582%0.816SS**  trans-91.6156.3-142.9-11.830.5000115.7
963G38.8Very low40.7Very low75 Ų75122.9 Ų122.977%0.77381%0.811SS**  trans-88.8175.6173.300000114.3
964R48.4Very low41.1Very low248 Ų248119.2 Ų119.294%0.93681%0.808SS**  trans-126.2115.5165.6-88.8-170.9168.1-162.8-3.4111.5
965V40.9Very low41.1Very low145 Ų145120 Ų12088%0.87982%0.816SS**  trans11.5122.1142.1-170.10000116.9
966G45.5Very low41.2Very low64 Ų64117.3 Ų117.366%0.6681%0.812SS**  trans-107.7-166.6158.300000111.5
967P51.2Low41.3Very low133 Ų133117.7 Ų117.786%0.86481%0.814SS**  trans-115.3149.3163.635.8-26.3000113.8
968S41.2Very low40.9Very low129 Ų129118.4 Ų118.490%0.90282%0.822SS**  trans-70.3172171.3-480000111.8
969G40Very low41.1Very low67 Ų67120.2 Ų120.269%0.69183%0.825SS**  cis177.9-144.27.800000107.9
970P41.4Very low40.9Very low133 Ų133121.9 Ų121.986%0.86482%0.822SS**  cis-121.1-178.4-10.941.4-28000112.9
971S38.9Very low41.2Very low130 Ų130121.6 Ų121.691%0.90982%0.818SS**  trans-105144169.7-64.30000111.7
972G34.1Very low41.1Very low79 Ų79120.8 Ų120.881%0.81482%0.815SS**  trans158.2148168.800000112.6
973A37.6Very low40.8Very low92 Ų92119.9 Ų119.976%0.7682%0.818SS**  cis-146.3159.3-2.200000111.3
974P46.3Very low40.9Very low133 Ų133119.6 Ų119.686%0.86482%0.815SS**PPolyproline II helixtrans-59.5150.9166.8-21.634.4000112.2
975G42.6Very low40.4Very low79 Ų79116.8 Ų116.881%0.81481%0.812SS**PPolyproline II helixtrans-73.7155.4-163.400000117.1
976S37.7Very low40.8Very low119 Ų119115.2 Ų115.283%0.83281%0.805SS**PPolyproline II helixtrans-103.9126.7176.753.20000112.2
977P43Very low40.8Very low130 Ų130115.5 Ų115.584%0.84481%0.808SS**PPolyproline II helixtrans-82.1158.2174.5-10.127.2000113.9
978G35.9Very low40.4Very low81 Ų81114.9 Ų114.984%0.83580%0.802SS**  trans100.6130.4155.800000116.3
979E42.2Very low40.6Very low198 Ų198118.2 Ų118.293%0.92580%0.801SS**  trans-84.6144.2175.7-54.4174.7129.100112
980K34.9Very low41.1Very low164 Ų164118.5 Ų118.571%0.71380%0.803SS**  -170.6143.3118-173.4174.3-176.8-56.30109.2D982K980-D982 IonicContact NZ-OD1 3.88Å; K980-D982 PolarHBondContact NZ-OD1 2.9Å; K980-D982 IonicContact NZ-OD2 3.41Å; K980-D982 PolarHBondContact NZ-OD2 2.66Å
981G42.9Very low41.3Very low58 Ų58117.2 Ų117.260%0.59880%0.795SS**  trans-112174.3167.600000112.4
982D36.1Very low41.7Very low155 Ų155120.3 Ų120.383%0.82979%0.792SS**  trans-154.1177.2158.1-82.1-43.2000109.6K980K980-D982 IonicContact NZ-OD1 3.88Å; K980-D982 PolarHBondContact NZ-OD1 2.9Å; K980-D982 IonicContact NZ-OD2 3.41Å; K980-D982 PolarHBondContact NZ-OD2 2.66Å
983A37.4Very low42.6Very low106 Ų106118.9 Ų118.988%0.87678%0.777SS**  trans-88.2171.1-163.100000115.1
984G41.7Very low42.7Very low68 Ų68122.2 Ų122.270%0.70178%0.782SS**  cis171.4175.4-8.300000117
985Q36.6Very low43.2Very low189 Ų189122.5 Ų122.588%0.88378%0.783SS**  trans-2.9164.9146.9-69.5-173.8-16.400121.6
986P50Low43.3Very low113 Ų113122 Ų12273%0.73478%0.779SS**  cis-148.7160.9-4241.2-23.4000116.5
987G44.2Very low43Very low69 Ų69125.7 Ų125.771%0.71178%0.782SS**  trans85.4171.5144.800000119.6
988T43.7Very low43.5Very low120 Ų120126 Ų12674%0.73679%0.785SS**  cis-162.1147.1-6.7-0.60000115
989F46.4Very low43.9Very low200 Ų200125.3 Ų125.388%0.87778%0.777SS**  trans62.2100.2152.9-65.8-57000123.4
990G49.6Very low43.5Very low72 Ų72123.4 Ų123.474%0.74277%0.774SS**  trans79.4-170.1131.600000117.1
991P46.5Very low43.8Very low107 Ų107123.7 Ų123.770%0.69578%0.783SS**  cis-114-148.16.830.3-7.1000110.4
992K46.2Very low43.5Very low195 Ų195124.5 Ų124.585%0.84879%0.791SS**  cis-167.2-43.716.2-153.6165.7-131.1167.10117.5
993G52.6Low43.7Very low49 Ų49124.7 Ų124.751%0.50580%0.797SS.*  cis82.594.824.300000106.8
994L39.3Very low43.9Very low162 Ų162128.6 Ų128.685%0.84880%0.798SS**SBendcis56.6128.834.1-51.4178.7000111.5
995P56.9Low43.8Very low138 Ų138128.5 Ų128.590%0.89680%0.796SS**SBendtrans-96.1155.4-143.6-6.528.2000114.5
996G45.3Very low44.1Very low70 Ų70125.7 Ų125.772%0.72280%0.795SS**  trans107.7142-166.600000109.4
997E32.4Very low43.6Very low195 Ų195130.5 Ų130.591%0.91180%0.798SS**  cis-127.5167.223.1-57.3-177.5114.600112.8
998P53.3Low43.2Very low137 Ų137130.4 Ų130.489%0.8980%0.797SS**  trans-100.2131.1177.39.911.2000113.6
999G43.2Very low42.8Very low66 Ų66131 Ų13168%0.6879%0.791SS**  trans126.2105.5157.100000117.9
1000D35.1Very low42.5Very low159 Ų159125.9 Ų125.985%0.8578%0.777SS**  trans59.4154.5137-49.5-27.8000124.5
1001D40.6Very low41.9Very low169 Ų169124.3 Ų124.390%0.90476%0.761SS**  trans61.9103.7163.4-66-12.3000124.5
1002G36.6Very low41.3Very low75 Ų75124.8 Ų124.877%0.77376%0.757SS**  118.1133.8117.100000123.8
1003V39.4Very low41.2Very low159 Ų159124.4 Ų124.496%0.96476%0.759SS**  trans87.8166.5148.8-164.20000119.4
1004E42.8Very low40.3Very low189 Ų189125.5 Ų125.588%0.88377%0.77SS**  trans-138.5152-138.9173.5-173.6-177.300115.4
1005G39.2Very low40.4Very low65 Ų65124 Ų12467%0.6777%0.77SS**  trans155.5155.9158.100000119.4
1006P43.3Very low39.6Very low131 Ų131124.8 Ų124.885%0.85176%0.755SS**  -140.7163.3-124.141.4-24.4000122
1007R38.1Very low39.2Very low214 Ų214124.7 Ų124.781%0.80875%0.754SS**  trans76.9125.7141.1-171172.5-178.1168.32.8125.8E1009R1007-E1009 WeakPolarHBondContact CG-OE1 3.13Å; R1007-E1009 IonicContact CZ-OE1 2.97Å; R1007-E1009 IonicContact CZ-OE2 3.56Å; R1007-E1009 IonicContact NE-OE1 2.68Å; R1007-E1009 PolarHBondContact NE-OE1 3.06Å; R1007-E1009 IonicContact NE-OE2 3.37Å; R1007-E1009 IonicContact NH2-OE1 3.78Å; R1007-E1009 PolarHBondContact NH2-OE1 2.99Å; R1007-E1009 IonicContact NH2-OE2 2.8Å; R1007-E1009 PolarHBondContact NH2-OE2 3.4Å
1008G35.9Very low39.3Very low66 Ų66122.2 Ų122.268%0.6875%0.746SS**  trans122.8164.1138.800000120.3
1009E35.6Very low39.2Very low132 Ų132121.6 Ų121.662%0.61774%0.742SS**  cis-172.6149.1-40.7-114.8150.6-68.900115.1R1007R1007-E1009 WeakPolarHBondContact CG-OE1 3.13Å; R1007-E1009 IonicContact CZ-OE1 2.97Å; R1007-E1009 IonicContact CZ-OE2 3.56Å; R1007-E1009 IonicContact NE-OE1 2.68Å; R1007-E1009 PolarHBondContact NE-OE1 3.06Å; R1007-E1009 IonicContact NE-OE2 3.37Å; R1007-E1009 IonicContact NH2-OE1 3.78Å; R1007-E1009 PolarHBondContact NH2-OE1 2.99Å; R1007-E1009 IonicContact NH2-OE2 2.8Å; R1007-E1009 PolarHBondContact NH2-OE2 3.4Å
1010T40.3Very low39.3Very low93 Ų93122.1 Ų122.157%0.57175%0.748SS**  trans76.7109148.2-57.60000127.5V111V111-T1010 VanDerWaalsContact O-CG2 3.23Å; V111-T1010 WeakPolarHBondContact O-CG2 3.48Å; V111-T1010 PolarHBondContact O-OG1 3.01Å
1011G38.3Very low39.6Very low40 Ų40120.5 Ų120.541%0.41275%0.749SS.*  trans153.6155.4145.300000116.1L109 G110L109-G1011 CarbonylContact C-O 3.01Å; G110-G1011 PolarHBondContact N-O 2.8Å; G110-G1011 CarbonylContact O-C 3.51Å; G110-G1011 WeakPolarHBondContact O-CA 3.39Å; G110-G1011 PolarHBondContact O-N 3.08Å; G110-G1011 VanDerWaalsContact O-N 3.12Å
1012D33.8Very low40.2Very low116 Ų116120.6 Ų120.662%0.6275%0.748SS**  cis-161.5-152.5-30.9-152.4-98.2000113.2G110G110-D1012 PolarHBondContact O-N 3.5Å
1013E42.4Very low40.7Very low188 Ų188119.5 Ų119.588%0.87974%0.737SS**  trans-96.4160.2-164.1-76.3-158.4117.600121.9
1014G35.3Very low41.2Very low72 Ų72118.2 Ų118.274%0.74273%0.732SS**  trans175.7145.2161.500000116.2
1015P41Very low41.7Very low131 Ų131119 Ų11985%0.85173%0.732SS**  trans-123.4143.7-151.540.7-28.8000122.6
1016R39.9Very low41.8Very low154 Ų154119.1 Ų119.158%0.58173%0.734SS**  trans57.7126.7142-167.2173.8-176.9158.31124.2
1017G36.8Very low41.8Very low67 Ų67120.9 Ų120.969%0.69174%0.735SS**  trans-157.8150.2150.300000111.6
1018L33.4Very low42.9Very low144 Ų144116.4 Ų116.475%0.75473%0.734SS**  trans-122.5122.6-173.5-80.4172.1000114
1019P52.5Low43.2Very low123 Ų123116.8 Ų116.880%0.79974%0.738SS**PPolyproline II helixtrans-79.7155.6157.9-15.732.6000112.7
1020G45Very low43.6Very low78 Ų78119 Ų11980%0.80475%0.753SS**PPolyproline II helixtrans-73.6170.6-172.300000116.4
1021S41.5Very low44.1Very low124 Ų124123.2 Ų123.287%0.86777%0.769SS**PPolyproline II helixtrans-63.8134.2-177.444.80000113.6G1023S1021-G1023 PolarHBondContact O-N 2.79Å
1022L53.7Low44.5Very low171 Ų171123.9 Ų123.990%0.89578%0.775SS**PPolyproline II helixtrans-62125.5169.4-168.175.5000109.7
1023G45.7Very low45.2Very low52 Ų52124.8 Ų124.854%0.53679%0.787SS.*PPolyproline II helixtrans-60.2149.3174.800000112S1021 K1025S1021-G1023 PolarHBondContact O-N 2.79Å; G1023-K1025 PolarHBondContact O-N 3.46Å
1024P50.3Low45.5Very low133 Ų133125.4 Ų125.486%0.86479%0.787SS**PPolyproline II helixtrans-59.4124.8-175.423.9-33.6000111.2G1026P1024-G1026 PolarHBondContact O-N 2.98Å
1025K53.8Low45.8Very low204 Ų204124.8 Ų124.889%0.88778%0.781SS**PPolyproline II helixtrans-58.5123.9177.7-165.9175.5-174177.80109G1023G1023-K1025 PolarHBondContact O-N 3.46Å
1026G41.8Very low45.7Very low68 Ų68126.6 Ų126.670%0.70178%0.783SS**PPolyproline II helixtrans-54.1140.3-175.800000112.5P1024P1024-G1026 PolarHBondContact O-N 2.98Å
1027L41.9Very low46.4Very low169 Ų169124.9 Ų124.989%0.88579%0.791SS**PPolyproline II helixtrans-56.2131.5179.2-73.9167.8000110.4G1029L1027-G1029 PolarHBondContact O-N 3.22Å
1028P62.4Low46.6Very low119 Ų119125.1 Ų125.177%0.77379%0.794SS**PPolyproline II helixtrans-54.9135.6170.1-2534.7000110.6L1030P1028-L1030 PolarHBondContact O-N 3.08Å
1029G41.5Very low46.8Very low75 Ų75127.2 Ų127.277%0.77380%0.8SS**PPolyproline II helixtrans-57.8138178.800000111.4L1027 M1031L1027-G1029 PolarHBondContact O-N 3.22Å; G1029-M1031 PolarHBondContact O-N 2.04Å; G1029-M1031 VanDerWaalsContact O-N 3.14Å
1030L43.8Very low46.9Very low177 Ų177127.6 Ų127.693%0.92780%0.802SS**PPolyproline II helixtrans-56.2119.7179.9-75.6167.9000110.4P1028 G1032P1028-L1030 PolarHBondContact O-N 3.08Å; L1030-G1032 PolarHBondContact O-N 2.88Å
1031M51.8Low46.6Very low183 Ų183128 Ų12890%0.90181%0.806SS**PPolyproline II helixtrans-59.5120.1176.6-178.7172.363.400109.4G1029G1029-M1031 PolarHBondContact O-N 2.04Å; G1029-M1031 VanDerWaalsContact O-N 3.14Å
1032G47.2Very low46.5Very low53 Ų53125.1 Ų125.155%0.54680%0.796SS.*PPolyproline II helixtrans-59.3150.6178.400000112L1030 K1034L1030-G1032 PolarHBondContact O-N 2.88Å; G1032-K1034 PolarHBondContact O-N 2.82Å
1033P47.9Very low45.8Very low135 Ų135125.4 Ų125.488%0.87780%0.797SS**PPolyproline II helixtrans-57.8129.5-17924.1-33.6000110.5G1035P1033-G1035 PolarHBondContact O-N 2.85Å
1034K49.5Very low45.6Very low201 Ų201126.2 Ų126.287%0.87481%0.805SS**PPolyproline II helixtrans-56.2122.3-179.7-175.1179-179.8-179.40109.5G1032G1032-K1034 PolarHBondContact O-N 2.82Å
1035G41Very low45Very low60 Ų60127 Ų12762%0.61981%0.807SS**PPolyproline II helixtrans-57.1143.9176.400000111.5P1033P1033-G1035 PolarHBondContact O-N 2.85Å
1036L38.2Very low44.4Very low169 Ų169120.7 Ų120.789%0.88580%0.8SS**PPolyproline II helixtrans-58.1138.7172.9-69.7169.6000109.4G1038L1036-G1038 PolarHBondContact O-N 2.96Å
1037P55Low44.3Very low117 Ų117124 Ų12476%0.7681%0.806SS**PPolyproline II helixtrans-57.7135177.7-23.834.1000111.5
1038G40.1Very low43.8Very low72 Ų72125.8 Ų125.874%0.74281%0.807SS**PPolyproline II helixtrans-72.5139.4166.100000110.3L1036L1036-G1038 PolarHBondContact O-N 2.96Å
1039E37.9Very low42.4Very low189 Ų189123.6 Ų123.688%0.88381%0.805SS**PPolyproline II helixtrans-66.6142.1177.3-64.6-177.111900111.3G1041E1039-G1041 PolarHBondContact O-N 3.13Å
1040P56.1Low42.2Very low130 Ų130130 Ų13084%0.84482%0.816SS**PPolyproline II helixtrans-65123.7-173.9-24.935.7000114.8G1042P1040-G1042 PolarHBondContact O-N 3.1Å; P1040-G1042 VanDerWaalsContact O-N 3.09Å
1041G37.7Very low41.8Very low87 Ų87131.9 Ų131.990%0.89782%0.816SS**  trans-84.363.6-175.100000116.9E1039E1039-G1041 PolarHBondContact O-N 3.13Å
1042G38.4Very low41.1Very low63 Ų63126.4 Ų126.465%0.64981%0.807SS**  trans59.4-179.415000000121.5P1040P1040-G1042 PolarHBondContact O-N 3.1Å; P1040-G1042 VanDerWaalsContact O-N 3.09Å
1043I39.5Very low40.6Very low178 Ų178131.7 Ų131.791%0.91382%0.822SS**  trans172.7137.4160.9-89.3148.2000103.8
1044G42.3Very low40.6Very low69 Ų69131.3 Ų131.371%0.71182%0.819SS**  cis168177.50.600000107.4
1045V38.5Very low40.2Very low149 Ų149125.1 Ų125.190%0.90381%0.812SS**  cis-151.8142.1-4.2178.20000106.8
1046G40.1Very low40.1Very low71 Ų71130.8 Ų130.873%0.73283%0.827SS**  trans-168.178.9-177.700000117.8
1047V39.2Very low40.4Very low138 Ų138132.4 Ų132.484%0.83683%0.827SS**  trans55.987153.9-161.40000119.6
1048K31.7Very low39.9Very low207 Ų207129.8 Ų129.890%0.982%0.822SS**  43.5105.2128.7-172.2-173.3-178.3-178.30119.7
1049G33.2Very low39.9Very low72 Ų72134.7 Ų134.774%0.74283%0.829SS**  trans-179.6107159.700000119.6
1050Q37.1Very low40.3Very low211 Ų211134.4 Ų134.499%0.98683%0.825SS**  trans64.3178.7157.4-53-162.21700119.1
1051K34.8Very low39.7Very low216 Ų216130.9 Ų130.994%0.93981%0.813SS**  trans-146.9125-151.6173.4-171.3174.9-1760113.7
1052G37.4Very low39.7Very low68 Ų68136.6 Ų136.670%0.70181%0.813SS**  trans176.5149.8165.500000110.2
1053L36.3Very low40.9Very low164 Ų164138.6 Ų138.686%0.85981%0.814SS**  cis-129.4158.2-5-75.2165.2000109.2G1055L1053-G1055 PolarHBondContact O-N 3.05Å
1054P49.7Very low40.9Very low126 Ų126133.3 Ų133.382%0.81880%0.804SS**PPolyproline II helixtrans-65.3122.3175.2-18.632.3000111.9
1055G41.2Very low40.9Very low71 Ų71139.1 Ų139.173%0.73281%0.813SS**PPolyproline II helixtrans-62.2150168.600000111.8L1053 K1057L1053-G1055 PolarHBondContact O-N 3.05Å; G1055-K1057 PolarHBondContact O-N 3.2Å
1056L38.2Very low41.9Very low179 Ų179137.9 Ų137.994%0.93781%0.808SS**PPolyproline II helixtrans-60134.7-173.1-71.4170.1000112.3G1058L1056-G1058 PolarHBondContact O-N 2.57Å
1057K44.9Very low42Very low203 Ų203137.5 Ų137.588%0.88380%0.804SS**  trans-64.6114.6-178.6-179.3-179.4179.5179.70110.7G1055G1055-K1057 PolarHBondContact O-N 3.2Å
1058G44Very low41.9Very low63 Ų63136.6 Ų136.665%0.64980%0.795SS**PPolyproline II helixtrans-53.4139.7173.900000112.6L1056 K1060L1056-G1058 PolarHBondContact O-N 2.57Å; G1058-K1060 PolarHBondContact O-N 2.87Å
1059I39.1Very low42.5Very low175 Ų175134.2 Ų134.290%0.89779%0.792SS**PPolyproline II helixtrans-64.4125.8-176.2-17.1177.7000109.4G1061I1059-G1061 PolarHBondContact O-N 3.48Å
1060K47.9Very low42.8Very low182 Ų182134.1 Ų134.179%0.79179%0.79SS**PPolyproline II helixtrans-71.1119.6176.8-176.2-176.8174.8-178.30108.9G1058G1058-K1060 PolarHBondContact O-N 2.87Å
1061G42.1Very low42.7Very low57 Ų57130.2 Ų130.259%0.58878%0.775SS**PPolyproline II helixtrans-56.3149.1172.700000112.3I1059I1059-G1061 PolarHBondContact O-N 3.48Å
1062F38Very low43.5Very low207 Ų207125 Ų12591%0.90876%0.764SS**PPolyproline II helixtrans-57.1132.7178.1-67.9-84.4000110.4G1064F1062-G1064 PolarHBondContact O-N 3.3Å
1063P63.6Low43.6Very low104 Ų104125 Ų12568%0.67576%0.763SS**PPolyproline II helixtrans-57.2138.8165.1-19.532.2000109.3
1064G40.8Very low43.3Very low68 Ų68125.2 Ų125.270%0.70177%0.765SS**PPolyproline II helixtrans-59.4148.8169.100000110.6F1062F1062-G1064 PolarHBondContact O-N 3.3Å
1065E40.5Very low42.8Very low191 Ų191129 Ų12989%0.89377%0.768SS**PPolyproline II helixtrans-58.7130.3175.7-63.8-175.9128.200109.5G1067E1065-G1067 PolarHBondContact O-N 2.65Å
1066P59.5Low42.5Very low122 Ų122128.9 Ų128.979%0.79277%0.767SS**PPolyproline II helixtrans-56.8132.7168.1-21.633.2000109
1067G42.6Very low42.7Very low64 Ų64128.3 Ų128.366%0.6676%0.764SS**PPolyproline II helixtrans-61139.1176.100000110.8E1065 D1069E1065-G1067 PolarHBondContact O-N 2.65Å; G1067-D1069 PolarHBondContact O-N 2.89Å; G1067-D1069 VanDerWaalsContact O-N 3.1Å
1068D38.4Very low42.4Very low119 Ų119124.4 Ų124.464%0.63676%0.76SS**PPolyproline II helixtrans-46.7116.7177.6-94.711.5000110.4G1070 R1581D1068-G1070 PolarHBondContact O-N 3.03Å; D1068-R1581 IonicContact OD1-NH2 2.63Å; D1068-R1581 PolarHBondContact OD1-NH2 3.29Å; D1068-R1581 IonicContact OD2-CZ 3.97Å; D1068-R1581 VanDerWaalsContact OD2-CZ 3.25Å; D1068-R1581 IonicContact OD2-NH1 2.6Å; D1068-R1581 PolarHBondContact OD2-NH1 2.8Å; D1068-R1581 IonicContact OD2-NH2 2.73Å; D1068-R1581 PolarHBondContact OD2-NH2 3.08Å
1069D43.5Very low41.9Very low157 Ų157125.2 Ų125.284%0.8477%0.769SS**PPolyproline II helixtrans-56.9120.9-178.3-88-47.8000110.7G1067 I1071G1067-D1069 PolarHBondContact O-N 2.89Å; G1067-D1069 VanDerWaalsContact O-N 3.1Å; D1069-I1071 PolarHBondContact O-N 3.11Å; D1069-I1071 VanDerWaalsContact O-N 3.15Å
1070G39.9Very low41.6Very low69 Ų69125.6 Ų125.671%0.71177%0.772SS**PPolyproline II helixtrans-60.1117.9178.600000111D1068 P1072D1068-G1070 PolarHBondContact O-N 3.03Å; G1070-P1072 WeakPolarHBondContact O-CD 3.04Å
1071I35.4Very low40.8Very low129 Ų129121.8 Ų121.866%0.66277%0.774SS**  trans-39110.5-173.3-55.4170.7000111.2D1069 G1073D1069-I1071 PolarHBondContact O-N 3.11Å; D1069-I1071 VanDerWaalsContact O-N 3.15Å; I1071-G1073 PolarHBondContact O-N 3.45Å; I1071-G1073 VanDerWaalsContact O-N 3.12Å
1072P50.1Low40.7Very low108 Ų108122.7 Ų122.770%0.70178%0.783SS**  trans-55.2119.3-176.6-30.236.7000112.4G1070 N1074G1070-P1072 WeakPolarHBondContact O-CD 3.04Å; P1072-N1074 PolarHBondContact O-N 2.73Å
1073G41.1Very low40.7Very low67 Ų67120 Ų12069%0.69178%0.783SS**  trans-73.7119.6174.500000110.5I1071 K1075I1071-G1073 PolarHBondContact O-N 3.45Å; I1071-G1073 VanDerWaalsContact O-N 3.12Å; G1073-K1075 PolarHBondContact O-N 2.87Å
1074N29.1Very low39.4Very low168 Ų168119.4 Ų119.490%0.89879%0.787SS**  trans-61.2103.1178.3-69.6-29.3000111.1P1072P1072-N1074 PolarHBondContact O-N 2.73Å
1075K38.4Very low39.1Very low205 Ų205125.6 Ų125.689%0.89180%0.798SS**PPolyproline II helixtrans-85.1134.7161.4-83.4-168.9170.4-174.50109.9G1073G1073-K1075 PolarHBondContact O-N 2.87Å
1076G35.9Very low38.8Very low69 Ų69125.2 Ų125.271%0.71179%0.793SS**PPolyproline II helixtrans-66.8161.1176.900000113.1P1078G1076-P1078 WeakPolarHBondContact O-CD 3.44Å
1077L42Very low37.8Very low167 Ų167122.5 Ų122.587%0.87479%0.787SS**PPolyproline II helixtrans-73.6135.4179.4-69.9161.4000112.4
1078P38.3Very low37.3Very low121 Ų121126.7 Ų126.779%0.78679%0.79SS**  trans-129.1141.9154.819.42.4000113.3G1076G1076-P1078 WeakPolarHBondContact O-CD 3.44Å
1079G33.4Very low37.1Very low81 Ų81129.5 Ų129.584%0.83580%0.797SS**  trans64.399.2149.100000119.3
1080L33.4Very low36.8Very low183 Ų183125.5 Ų125.596%0.95879%0.792SS**  trans-82.7121.7160.8-114.5162.5000110.2
1081A30.8Very low36.4Very low101 Ų101130.2 Ų130.284%0.83580%0.796SS**  trans-152.6124.5164.400000111.8
1082G39.3Very low36.7Very low76 Ų76134.1 Ų134.178%0.78481%0.808SS**  trans-155.9120.9170.500000107.3
1083V38.3Very low35.8Very low151 Ų151132.4 Ų132.492%0.91581%0.81SS**  trans-91.3155.1-154.9-178.20000112.6
1084A35.9Very low35.1Very low92 Ų92137 Ų13776%0.7682%0.818SS**  trans-95.5169.2-176.700000113.3
1085E35.3Very low35.4Very low198 Ų198139 Ų13993%0.92582%0.818SS**  trans-136.9126.4167.3-80.4-151.8137.400114.4
1086K34.6Very low35Very low182 Ų182132.9 Ų132.979%0.79181%0.813SS**  -178.1141.1129.1-172.8179.2-173.4-130.50105.4E1088K1086-E1088 WeakPolarHBondContact CE-OE1 3.19Å; K1086-E1088 IonicContact NZ-OE1 3.87Å; K1086-E1088 PolarHBondContact NZ-OE1 3.11Å
1087G37.6Very low34.9Very low65 Ų65134.5 Ų134.567%0.6782%0.82SS**  cis159.4146.93.900000104.9
1088E32.6Very low35Very low153 Ų153136.2 Ų136.272%0.71582%0.823SS**  169.6167.774.8-85.2176.1-160.200105.6K1086K1086-E1088 WeakPolarHBondContact CE-OE1 3.19Å; K1086-E1088 IonicContact NZ-OE1 3.87Å; K1086-E1088 PolarHBondContact NZ-OE1 3.11Å
1089K34.7Very low34.8Very low178 Ų178133.4 Ų133.477%0.77482%0.816SS**  cis-167.5143.9-20.2167.6-174.7175.3-172.50105.9
1090G37.8Very low34.6Very low72 Ų72137.4 Ų137.474%0.74282%0.818SS**  trans174.9137.9170.800000112.6
1091E31Very low35.7Very low169 Ų169134.9 Ų134.979%0.7981%0.813SS**  trans-115.4121.6-161.7-68178.890.200115.1
1092K41.3Very low35.8Very low211 Ų211133.1 Ų133.192%0.91780%0.804SS**  trans49.695.8133-163.8179.3-172.6177.40118.7
1093G30.8Very low35.6Very low72 Ų72137.4 Ų137.474%0.74281%0.807SS**  trans-165.7122162.700000115.3
1094L26.4Very low35.2Very low164 Ų164138.8 Ų138.886%0.85980%0.801SS**  trans45.7101.1156.1-62.8173000120.9
1095K36Very low35.3Very low209 Ų209138.2 Ų138.291%0.90980%0.804SS**  34.9107.8111.9-171.4-175.2-178.3-177.30118.4
1096G29.8Very low35Very low76 Ų76138.9 Ų138.978%0.78480%0.798SS**  trans168.5142.5159.300000111.2
1097A33Very low35.6Very low103 Ų103136.3 Ų136.385%0.85180%0.8SS**  cis-151.6163.7-12.300000109.8
1098Q45Very low35.6Very low203 Ų203136.3 Ų136.395%0.94980%0.8SS**  trans-79127.5165.3177.1-176.9-4.200109.1
1099G33.5Very low35.9Very low62 Ų62138.6 Ų138.664%0.63981%0.811SS**  trans168.8142.9172.700000112.1
1100L30.6Very low36Very low166 Ų166138.7 Ų138.787%0.86982%0.816SS**  cis-140.7155.7-12.3-87.2173000108.7
1101P54.7Low36.6Very low130 Ų130138 Ų13884%0.84481%0.808SS**  trans-72.9129.1-177.629.3-34.2000112.5
1102G33.4Very low37.2Very low63 Ų63135.8 Ų135.865%0.64981%0.809SS**  trans174.2151.4170.700000111.1
1103I36.1Very low36.8Very low167 Ų167132.3 Ų132.386%0.85680%0.8SS**  cis-151.5138.6-11.823.8171.3000109.9G1105I1103-G1105 PolarHBondContact O-N 2.85Å; I1103-G1105 VanDerWaalsContact O-N 3.14Å
1104K28.5Very low36.8Very low179 Ų179132.4 Ų132.478%0.77880%0.801SS**  trans5.689.2148.1-173.2-173177.5-175.60116.8
1105G38Very low37.1Very low81 Ų81131.2 Ų131.284%0.83579%0.791SS**  trans-92.4110.2151.800000109.5I1103I1103-G1105 PolarHBondContact O-N 2.85Å; I1103-G1105 VanDerWaalsContact O-N 3.14Å
1106R30.7Very low37Very low212 Ų212127 Ų12780%0.878%0.777SS**  trans-92.3164.4172.4-98.9-169.2175.7-176.4-2.2110.7
1107P45.4Very low37.3Very low128 Ų128126.8 Ų126.883%0.83177%0.774SS**  trans-65.4137.7-170.2-22.433.6000114.8
1108G38.5Very low37.3Very low65 Ų65129.2 Ų129.267%0.6777%0.773SS**  trans-125151.8132.900000107
1109Q38.6Very low37.5Very low201 Ų201123.5 Ų123.594%0.93975%0.754SS**  cis49658.5-78-162.4-7.400114.7
1110M36.5Very low37.8Very low180 Ų180123.3 Ų123.389%0.88775%0.752SS**  -154.7134126.3-161.7120.770.400108.6
1111G49.9Very low38.2Very low56 Ų56121.2 Ų121.258%0.57775%0.748SS**  trans-71154.2156.800000109.2
1112P45.2Very low37.5Very low123 Ų123121.7 Ų121.780%0.79975%0.749SS**  -101.9148.881-1733.9000111.8
1113L32.1Very low37.8Very low139 Ų139121.9 Ų121.973%0.72875%0.751SS**  cis58.771.944.4-16569.1000112.7E1115L1113-E1115 WeakPolarHBondContact CD1-OE1 3.07Å
1114G31.4Very low37.8Very low74 Ų74122.2 Ų122.276%0.76375%0.754SS**  83-162.9128.800000119
1115E32.2Very low38.1Very low138 Ų138122.1 Ų122.165%0.64576%0.76SS**  cis-160169.40.6-135.2176.4-167.200113.1L1113L1113-E1115 WeakPolarHBondContact CD1-OE1 3.07Å
1116I33.2Very low38.1Very low121 Ų121121.4 Ų121.462%0.62175%0.752SS**  trans70.3139.5152.8-73.5162.1000118.4P1119I1116-P1119 HydrophobicContact CD1-CG 4.34Å; I1116-P1119 HydrophobicContact CG1-CB 4.47Å; I1116-P1119 HydrophobicContact CG1-CG 4.09Å; I1116-P1119 HydrophobicContact CG2-CG 3.86Å
1117G37.4Very low38.4Very low71 Ų71120.8 Ų120.873%0.73276%0.759SS**SBendtrans141.953.7176.500000112
1118D31.8Very low38Very low155 Ų155123.1 Ų123.183%0.82976%0.756SS**SBendcis-123.3163.519.4-89.6-41.3000114.7
1119P49.2Very low37.9Very low82 Ų82124 Ų12453%0.53277%0.765SS.*PPolyproline II helixtrans-68.2155.5179-13.728.2000113.2I1116I1116-P1119 HydrophobicContact CD1-CG 4.34Å; I1116-P1119 HydrophobicContact CG1-CB 4.47Å; I1116-P1119 HydrophobicContact CG1-CG 4.09Å; I1116-P1119 HydrophobicContact CG2-CG 3.86Å
1120G40.3Very low38.1Very low59 Ų59119.6 Ų119.661%0.60875%0.748SS**PPolyproline II helixtrans-90.5159.6156.300000111.6
1121P39.6Very low38.3Very low121 Ų121119.2 Ų119.279%0.78674%0.743SS**PPolyproline II helixtrans-70.5138.4142.3-15.132.3000108.1
1122T40Very low37.8Very low141 Ų141119 Ų11987%0.86574%0.741SS**  cis54.7106.847.3-50.60000110.9
1123G39.1Very low37.8Very low67 Ų67120 Ų12069%0.69175%0.745SS**  cis178.8-168.21.900000109.4I1125G1123-I1125 PolarHBondContact O-N 3.11Å
1124L35.2Very low38.1Very low174 Ų174119.6 Ų119.691%0.91175%0.751SS**  trans-69.3110.9173-68.7171.7000110.6
1125I35.3Very low38.2Very low176 Ų176118.9 Ų118.990%0.90374%0.743SS**  trans-179.6147.7148.2-99.8154000109.2G1123G1123-I1125 PolarHBondContact O-N 3.11Å
1126G39.1Very low38.1Very low66 Ų66118.6 Ų118.668%0.6875%0.753SS**  trans90.5110.7159.500000115.5K1128G1126-K1128 PolarHBondContact O-N 3.24Å
1127E37.2Very low38.2Very low200 Ų200117.2 Ų117.294%0.93576%0.76SS**SBendtrans-62118.6149.5-63.8-177.3113.900108.6
1128K37.2Very low37.9Very low177 Ų177117.4 Ų117.477%0.7776%0.762SS**  trans34.491.9157.6-167.4174.5178.5175.90117.7G1126 D1130G1126-K1128 PolarHBondContact O-N 3.24Å; K1128-D1130 WeakPolarHBondContact CE-OD2 3.24Å; K1128-D1130 IonicContact NZ-OD2 3.83Å
1129G36.1Very low38.1Very low84 Ų84121.5 Ų121.587%0.86677%0.766SS**  trans-99.571.917400000115.4
1130D41.9Very low37.8Very low108 Ų108123.2 Ų123.258%0.57878%0.776SS**  trans-83.4140.2162.7-72.6-57.3000109.8K1128K1128-D1130 WeakPolarHBondContact CE-OD2 3.24Å; K1128-D1130 IonicContact NZ-OD2 3.83Å
1131H40.4Very low37.5Very low171 Ų171124 Ų12479%0.79279%0.785SS**  cis-151.8-176.2-6.6-128.866.2000105.3
1132G39.3Very low37.6Very low52 Ų52130 Ų13054%0.53679%0.792SS.*  cis124.4139.413.500000111
1133V46.8Very low37.2Very low143 Ų143130.9 Ų130.987%0.86779%0.791SS**  trans54.8131.9177.1-65.20000119.6
1134P38Very low36.9Very low132 Ų132131.1 Ų131.186%0.85779%0.794SS**  -149.2159.4117.537.3-22000114.1
1135G33.8Very low36.7Very low58 Ų58130.8 Ų130.860%0.59879%0.792SS**  cis-164.1179.3-2.800000110
1136P29Very low36.7Very low132 Ų132127.3 Ų127.386%0.85779%0.789SS**SBendcis-62.8135.225.421.7-34000113.3
1137A36.4Very low36.5Very low92 Ų92127.7 Ų127.776%0.7679%0.792SS**  cis75.9113.828.900000114.4
1138G31Very low36.7Very low75 Ų75127.5 Ų127.577%0.77379%0.792SS**  trans94.2130.4-177.300000112.6
1139R35.4Very low36.8Very low242 Ų242125.4 Ų125.491%0.91380%0.796SS**  cis-149.1179.5-1-108.5-165168.4171.7-3.2110
1140P43.1Very low36.8Very low117 Ų117125 Ų12576%0.7679%0.793SS**  trans-61.2160-169.8-2132.3000113.4
1141G34Very low36.9Very low77 Ų77127.8 Ų127.879%0.79481%0.807SS**  cis9691.117.500000112
1142R41.2Very low36.7Very low245 Ų245128.3 Ų128.393%0.92582%0.815SS**  trans-164146.9156.7-155171.4-172.3173.81.9111.7
1143N31.4Very low36.8Very low160 Ų160128.7 Ų128.786%0.85682%0.819SS**  trans-61154.6172.4-40.6-12.8000111.8
1144G34.1Very low36.4Very low72 Ų72128.6 Ų128.674%0.74282%0.821SS**  trans177.158.7171.100000121.7
1145I31Very low36.7Very low168 Ų168134.1 Ų134.186%0.86283%0.825SS**  trans38.4133.4143.4-15.9179.9000122.4
1146A34Very low37.2Very low103 Ų103134.7 Ų134.785%0.85183%0.831SS**  trans68.5143.7154.900000119.1
1147G35.2Very low37.6Very low73 Ų73135.5 Ų135.575%0.75383%0.827SS**  cis-172.2178.7-3.100000112.9
1148E41.9Very low38.8Very low196 Ų196137.2 Ų137.292%0.91683%0.83SS**  trans-57.6150.5168.6-68-176.2143.300110.9
1149P38.4Very low39.4Very low133 Ų133137 Ų13786%0.86483%0.828SS**  cis-150.7175.149.841.9-22.1000118.5
1150G36.4Very low39.5Very low77 Ų77133.6 Ų133.679%0.79483%0.828SS**  trans13799.6148.900000117.4
1151D44.5Very low40.1Very low165 Ų165134.1 Ų134.188%0.88283%0.831SS**  trans-77142.5165.7-75.2-53.3000112.5
1152L35.6Very low40.6Very low183 Ų183133.6 Ų133.696%0.95883%0.826SS**  trans153.1133.6151.3-87.3157000109.2
1153G41.1Very low40.8Very low60 Ų60128.4 Ų128.462%0.61982%0.824SS**  cis-169.3176.3-3.600000109.8
1154P38.4Very low41.8Very low141 Ų141129.4 Ų129.492%0.91683%0.828SS**  trans-72.8138.4-170.529.3-35.3000113.3
1155R45.3Very low42.2Very low247 Ų247129.1 Ų129.193%0.93283%0.825SS**  trans-114.5137.9172.4-165.3168.3-177.6156.70.7110.5
1156G43.6Very low42.5Very low70 Ų70129.3 Ų129.372%0.72283%0.828SS**  trans-79.6-178.1-16400000117
1157L38.2Very low43Very low150 Ų150134.7 Ų134.779%0.78583%0.832SS**PPolyproline II helixtrans-49.8137.6-174.2-65.2167.8000114
1158P61Low43.3Very low127 Ų127134.6 Ų134.683%0.82583%0.831SS**PPolyproline II helixtrans-59137.2168.6-23.734.6000112.5
1159G44Very low43Very low71 Ų71133.1 Ų133.173%0.73282%0.824SS**PPolyproline II helixtrans-78.8171174.300000113.3
1160L36.9Very low43Very low171 Ų171136 Ų13690%0.89582%0.823SS**PPolyproline II helixtrans-59.2145.5172.8-73.4167000111.3G1162L1160-G1162 PolarHBondContact O-N 3.42Å
1161P56.1Low43Very low128 Ų128136 Ų13683%0.83182%0.824SS**PPolyproline II helixtrans-56.5126.5-178.8-2735.4000113.5
1162G45.2Very low42.4Very low66 Ų66133.9 Ų133.968%0.6882%0.822SS**PPolyproline II helixtrans-79.2156.6174.600000113.1L1160L1160-G1162 PolarHBondContact O-N 3.42Å
1163P44.5Very low42.5Very low136 Ų136136.8 Ų136.888%0.88382%0.82SS**PPolyproline II helixtrans-71.3165.4174.531.3-35.2000112.9G1165P1163-G1165 PolarHBondContact O-N 3.46Å
1164L52.5Low42.3Very low180 Ų180136.9 Ų136.994%0.94282%0.821SS**  trans-83.5107.2-165.8179.866.6000114.6
1165G42.5Very low42.1Very low66 Ų66135.7 Ų135.768%0.6881%0.811SS**  trans72.3104.2132.900000120.6P1163P1163-G1165 PolarHBondContact O-N 3.46Å
1166D37.5Very low41.3Very low173 Ų173129.8 Ų129.893%0.92580%0.802SS**  trans-81150.6165.9-65.9-65000114.3
1167K45Very low40.9Very low216 Ų216132.9 Ų132.994%0.93980%0.803SS**  trans-168131.9155.5-166.7174-176.8178.20109.8
1168G41.4Very low40.5Very low71 Ų71135.2 Ų135.273%0.73280%0.801SS**  cis-173159-7.200000108.9
1169E35.9Very low39.2Very low165 Ų165136.7 Ų136.777%0.77180%0.801SS**  trans-75.8162.3-165-62.2-159.3132.500117.7
1170K36.8Very low38.6Very low192 Ų192137 Ų13784%0.83580%0.796SS**  trans92.9120135.2-115.7171.2-161.3112.30120.1
1171G36.5Very low38.9Very low79 Ų79135.9 Ų135.981%0.81479%0.792SS**  trans167.6136.5168.300000109.5
1172S32.7Very low38.3Very low120 Ų120136.4 Ų136.484%0.83979%0.792SS**  trans-132.3138.4-157.256.20000118
1173R37.2Very low37.8Very low244 Ų244136.3 Ų136.392%0.92179%0.791SS**  trans73.3118.1145.9-165.6176.1-172.3156.42.5120.3
1174G38.1Very low37.6Very low62 Ų62135.8 Ų135.864%0.63979%0.787SS**  trans167.687.3159.400000109.5
1175T32.5Very low36.8Very low115 Ų115136.6 Ų136.671%0.70678%0.784SS**  53124.696.257.40000115.5
1176T29.7Very low36.3Very low123 Ų123136.3 Ų136.376%0.75578%0.781SS**  trans58.9123.8164.143.10000116
1177D34.5Very low36Very low136 Ų136136.2 Ų136.273%0.72777%0.774SS**  cis-158.3164.533.8-107.2-40.7000116.4
1178R30.4Very low35.6Very low199 Ų199135 Ų13575%0.75177%0.769SS**  trans13.4133.9147.2-59.8171.482.4155.46.3121.9
1179L32.5Very low35.3Very low158 Ų158134.9 Ų134.983%0.82777%0.769SS**  trans52.1149.3137.3-74.290.4000119.6
1180A32Very low35.3Very low76 Ų76136.1 Ų136.163%0.62877%0.774SS**  cis-139.2170.99.200000109.6
1181D43.7Very low35.7Very low149 Ų149132.7 Ų132.780%0.79777%0.771SS**  -161.7156.767.8-110.5-33.6000115.1
1182V43.6Very low35.6Very low138 Ų138132.3 Ų132.384%0.83677%0.768SS**  trans25.7129.5157.6-167.80000119.1
1183G33.4Very low35.6Very low64 Ų64134.3 Ų134.366%0.6677%0.767SS**  cis177.9170.46.800000112
1184P41.2Very low35.3Very low125 Ų125128.2 Ų128.281%0.81276%0.757SS**  trans-122.8-178.8-142.642.2-32.6000116.6
1185K35.9Very low36Very low198 Ų198127.2 Ų127.286%0.86175%0.747SS**  trans80.5134.3154.8-163.2-178-178.5-177.20116.1
1186G32Very low36.3Very low60 Ų60126.8 Ų126.862%0.61975%0.746SS**  cis168.8173.4-6.200000112.9
1187E31Very low36.8Very low170 Ų170124.8 Ų124.879%0.79474%0.735SS**  trans67.6159.2176.4-48.6-177-154.800114.8
1188K36.1Very low37.6Very low190 Ų190121.7 Ų121.783%0.82674%0.735SS**  cis-149.4169.75.6-156.6161.2-177.8160.20111.1
1189G35.6Very low38.3Very low70 Ų70118.5 Ų118.572%0.72274%0.74SS**  trans-106.7-165.7-178.300000116.8
1190Q36.6Very low38.3Very low190 Ų190120.9 Ų120.989%0.88874%0.743SS**  trans-61.6178.1173.2-61.5176-6.200113.6
1191P44.8Very low38.4Very low120 Ų120120.7 Ų120.778%0.77975%0.749SS**  cis-134.4168.8-25.426.3-4.6000115.7
1192G35Very low37.7Very low71 Ų71121.8 Ų121.873%0.73275%0.754SS**  trans77.1165.7159.600000117
1193I31.1Very low37.4Very low162 Ų162123 Ų12383%0.83175%0.751SS**  cis-157.5148.2-7.814.2170.7000109.6
1194V32.2Very low37.7Very low117 Ų117122.8 Ų122.871%0.70975%0.748SS**  trans54.6117.1156.5-1790000118.9L1326V1194-L1326 HydrophobicContact CB-CD2 4.05Å; V1194-L1326 HydrophobicContact CG1-CD2 3.62Å; V1194-L1326 HydrophobicContact CG2-CD2 4.29Å
1195G51.7Low37.5Very low41 Ų41123.3 Ų123.342%0.42375%0.751SS.*  trans-122.8-153.7174.400000115.6L1326G1195-L1326 WeakPolarHBondContact O-CB 3.45Å
1196P38.6Very low37.6Very low105 Ų105121.3 Ų121.368%0.68274%0.743SS**  trans-123.6169.3177.440.7-27.7000115.3L1326P1196-L1326 CarbonylContact C-O 3.52Å; P1196-L1326 VanDerWaalsContact C-O 3.28Å; P1196-L1326 PolarHBondContact O-N 3.39Å
1197P41.5Very low37.7Very low82 Ų82121.3 Ų121.353%0.53274%0.743SS.*PPolyproline II helixtrans-88154.6-165.333.9-33.8000115.2L1326 F1327P1197-L1326 WeakPolarHBondContact CB-O 3.09Å; P1197-L1326 WeakPolarHBondContact CD-O 3.4Å; P1197-F1327 WeakPolarHBondContact CG-O 3.27Å
1198G51.6Low37.8Very low70 Ų70117.4 Ų117.472%0.72275%0.748SS**PPolyproline II helixtrans-74.7140.5-170.300000116.7
1199P43.3Very low37.7Very low132 Ų132116.7 Ų116.786%0.85775%0.748SS**PPolyproline II helixtrans-81.8157.1176.333.2-35.3000114
1200K33.3Very low37.8Very low208 Ų208116.3 Ų116.390%0.90474%0.744SS**PPolyproline II helixtrans-78.9121.3179.2-78175.6174.2170.50113.6
1201G33.6Very low37.8Very low73 Ų73116 Ų11675%0.75375%0.746SS**  trans60.1-159.8147.900000116.3
1202L29.8Very low37.2Very low172 Ų172119.7 Ų119.790%0.90175%0.753SS**  cis-160.6172.5-11.1-126.9177.3000108.6
1203Q37Very low37.5Very low164 Ų164119.5 Ų119.577%0.76675%0.751SS**  trans75141.4175.4-154.7162.671.400114.1
1204G39.5Very low38.1Very low58 Ų58120.3 Ų120.360%0.59876%0.755SS**SBendtrans-85.5-146.4-175.700000112.7K1206G1204-K1206 PolarHBondContact O-N 3.26Å
1205P37Very low38.4Very low136 Ų136119.7 Ų119.788%0.88376%0.756SS**SBendtrans-59.4101.1170.325.5-33.3000110.1G1207P1205-G1207 PolarHBondContact O-N 2.79Å
1206K37.3Very low38.1Very low156 Ų156121 Ų12168%0.67877%0.769SS**  trans-56.6124.6165.2-171.4178.4180-176.20106.8G1204G1204-K1206 PolarHBondContact O-N 3.26Å
1207G35.6Very low38Very low60 Ų60123.9 Ų123.962%0.61977%0.771SS**  trans-67.1172.9-162.100000114.6P1205 Q1209P1205-G1207 PolarHBondContact O-N 2.79Å; G1207-Q1209 PolarHBondContact O-N 3.25Å
1208G32.1Very low38.1Very low88 Ų88127.8 Ų127.891%0.90779%0.787SS**  trans-59.7105.3162.600000109.3G1210G1208-G1210 PolarHBondContact O-N 2.96Å
1209Q34.6Very low37.3Very low176 Ų176127.4 Ų127.482%0.82278%0.783SS**  trans-98.874.8-176-166.3172.12.600111G1207G1207-Q1209 PolarHBondContact O-N 3.25Å
1210G36.6Very low37Very low62 Ų62129.4 Ų129.464%0.63979%0.786SS**  trans-129.4129.9156.400000107.6G1208G1208-G1210 PolarHBondContact O-N 2.96Å
1211I37.5Very low37.6Very low182 Ų182125.5 Ų125.593%0.93378%0.782SS**  cis-140.3174.47.221.1172.4000111.2
1212Q31.5Very low37.8Very low199 Ų199125.8 Ų125.893%0.9379%0.785SS**  trans-90.2138.7-167.9-179.8179.1-3.500113.2
1213G42.9Very low38.3Very low66 Ų66126.6 Ų126.668%0.6878%0.784SS**  trans137.8140.917300000112.4
1214I43.5Very low38.4Very low180 Ų180125 Ų12592%0.92379%0.788SS**  cis-142.6163.8-2.6-28.6176.9000108.8
1215S36.9Very low38.1Very low104 Ų104125.2 Ų125.273%0.72779%0.79SS**  trans-83.5142.9-177.1-177.70000114.1
1216G47.2Very low38Very low67 Ų67125.2 Ų125.269%0.69179%0.79SS**  trans178.575.9178.800000109.9
1217K36.3Very low37.8Very low166 Ų166127.1 Ų127.172%0.72280%0.804SS**  72.4117.980.6-65175.7-174.2178.40113.1
1218D42.2Very low37.8Very low164 Ų164127.1 Ų127.188%0.87780%0.804SS**  trans65.1151.8155.1-46-35.6000118.2
1219G34.9Very low38.2Very low62 Ų62129 Ų12964%0.63980%0.8SS**  cis-178.441.71.300000117.2
1220L37.9Very low38.4Very low175 Ų175130 Ų13092%0.91680%0.802SS**  trans62.2-167.5174.4-55.5170.8000112
1221P44.6Very low38.2Very low126 Ų126130.4 Ų130.482%0.81881%0.805SS**  cis-119160.3-19.324.4-3000114.4
1222G38.9Very low37.7Very low79 Ų79129.1 Ų129.181%0.81480%0.795SS**  trans-160.244.1-175.200000115.5
1223Q40.1Very low37.7Very low188 Ų188129.5 Ų129.588%0.87979%0.794SS**  trans-73.4162.7158.2-63.4179.55.800109.2
1224P40Very low37.3Very low131 Ų131129.6 Ų129.685%0.85180%0.795SS**  cis-117.6-172.76.736.6-18.4000111.9
1225G33.3Very low37.1Very low63 Ų63128.1 Ų128.165%0.64979%0.794SS**  cis-167.5-162.110.100000111.1
1226P33.6Very low37.2Very low135 Ų135129.1 Ų129.188%0.87780%0.798SS**  trans-76.7134.8-16930.6-34.9000113.3
1227M33.8Very low36.6Very low197 Ų197128.7 Ų128.797%0.9779%0.794SS**  trans-106.197.3161.4-166.4173.973.400111.8
1228G35.8Very low36.6Very low60 Ų60126.8 Ų126.862%0.61980%0.798SS**  trans-146.9-178.3148.600000108.2
1229P39.3Very low36.6Very low126 Ų126124.7 Ų124.782%0.81879%0.794SS**  cis-129.6152.5-7.138.1-22.9000114.4
1230K39.6Very low36.9Very low199 Ų199124.5 Ų124.587%0.86579%0.791SS**  trans42.4115.5149-170.4-166173.7-169.70120.3
1231G32.3Very low36.9Very low69 Ų69122.7 Ų122.771%0.71179%0.79SS**  trans102.1155.2156.600000114.4
1232E28.1Very low36.6Very low155 Ų155128 Ų12872%0.72479%0.794SS**  cis-144.1158-4.7-64.6-170147.600111
1233K30.8Very low36.6Very low208 Ų208127.4 Ų127.490%0.90479%0.788SS**  trans51.674.6150.7-158.7-175.4-178.6178.90120.4
1234G34.2Very low36Very low68 Ų68124.7 Ų124.770%0.70178%0.784SS**  76.9156.812500000122.4
1235V39.9Very low35.6Very low149 Ų149125.2 Ų125.290%0.90378%0.776SS**  trans56.6150.9167.7-81.70000118.8
1236P38.2Very low35.9Very low125 Ų125125.8 Ų125.881%0.81278%0.781SS**  cis-111.1-174.810.823.6-1.5000114.7
1237G35.7Very low35.7Very low58 Ų58128.2 Ų128.260%0.59878%0.781SS**  trans-74.6-178.1175.200000113.9
1238P36.1Very low35.9Very low126 Ų126124.3 Ų124.382%0.81877%0.77SS**PPolyproline II helixtrans-61.5130.2-179.326.3-34.2000110.9G1240P1238-G1240 PolarHBondContact O-N 2.96Å
1239P42.7Very low35.8Very low120 Ų120125.2 Ų125.278%0.77978%0.78SS**PPolyproline II helixtrans-54.4135.8158.2-21.233.4000108.9
1240G39.3Very low35.4Very low57 Ų57124.8 Ų124.859%0.58877%0.77SS**PPolyproline II helixtrans-60.1163.3170.300000111.4P1238 R1242P1238-G1240 PolarHBondContact O-N 2.96Å; G1240-R1242 PolarHBondContact O-N 2.97Å; G1240-R1242 VanDerWaalsContact O-N 3.1Å
1241P39.7Very low35.2Very low137 Ų137121.4 Ų121.489%0.8976%0.755SS**PPolyproline II helixtrans-50.212217720.7-32.5000110.5G1243P1241-G1243 PolarHBondContact O-N 2.97Å
1242R37.8Very low35.8Very low237 Ų237120 Ų12089%0.89474%0.741SS**  trans-64.9105.6-176-178.9175.6174.9174.6-3.3108.7G1240G1240-R1242 PolarHBondContact O-N 2.97Å; G1240-R1242 VanDerWaalsContact O-N 3.1Å
1243G37.8Very low36.1Very low68 Ų68117.4 Ų117.470%0.70174%0.737SS**  trans-76.3-177.3-161.600000116P1241P1241-G1243 PolarHBondContact O-N 2.97Å
1244T28.8Very low36.3Very low130 Ų130115.1 Ų115.180%0.79873%0.727SS**  trans-77162.316443.50000111.9
1245E31.4Very low36.4Very low143 Ų143114.3 Ų114.367%0.66872%0.719SS**  trans-86.2126.2-167.7-173.5176.4173.300111.1R1278E1245-R1278 IonicContact OE1-NH2 2.74Å; E1245-R1278 IonicContact OE2-CZ 3.69Å; E1245-R1278 VanDerWaalsContact OE2-CZ 3.32Å; E1245-R1278 IonicContact OE2-NH1 3.57Å; E1245-R1278 PolarHBondContact OE2-NH1 3.3Å; E1245-R1278 IonicContact OE2-NH2 3.58Å; E1245-R1278 PolarHBondContact OE2-NH2 3.49Å
1246G38.2Very low36.2Very low74 Ų74117.4 Ų117.476%0.76372%0.721SS**  trans-174.398.6-17800000114.7
1247Q29.5Very low36.3Very low186 Ų186116.4 Ų116.487%0.86971%0.712SS**  trans-106.5-179.5176.4-57.2-175.510.300110.6
1248P38.2Very low36.3Very low115 Ų115116.6 Ų116.675%0.74771%0.714SS**  -134.5129.4-58.835.5-19.8000114.5
1249G34.3Very low36.3Very low80 Ų80116.6 Ų116.683%0.82571%0.714SS**  trans72.6142140.500000121.9
1250L31.3Very low36.1Very low116 Ų116116.6 Ų116.661%0.60770%0.702SS**  trans-148.1-158150-119.4-177.4000111.7E1271L1250-E1271 HydrophobicContact CB-CB 4.26Å; L1250-E1271 HydrophobicContact CB-CG 4.28Å; L1250-E1271 WeakPolarHBondContact CB-OE2 3.24Å; L1250-E1271 PolarHBondContact O-N 3.07Å
1251K35.2Very low35.9Very low129 Ų129115.9 Ų115.956%0.56170%0.695SS**  trans-144108.5-151.9-105.8172.6168.5-178.90113.1P1269K1251-P1269 HydrophobicContact CB-CB 3.75Å; K1251-P1269 HydrophobicContact CB-CG 4.45Å; K1251-P1269 HydrophobicContact CG-CB 3.88Å; K1251-P1269 HydrophobicContact CG-CG 4.37Å; K1251-P1269 WeakPolarHBondContact CG-O 3.29Å
1252G45.4Very low35.5Very low39 Ų39114.1 Ų114.140%0.40267%0.673SS.*  trans-57.2-124.5176.900000119.7P1269 G1270G1252-P1269 VanDerWaalsContact C-CB 3.43Å; G1252-G1270 VanDerWaalsContact CA-O 3.3Å; G1252-G1270 WeakPolarHBondContact CA-O 3.2Å; G1252-G1270 VanDerWaalsContact N-N 3.12Å; G1252-G1270 PolarHBondContact N-O 2.89Å
1253P33.7Very low36Very low100 Ų100104.4 Ų104.465%0.64964%0.641SS**  cis-120.8-134.726.528.2-2.7000111.4P1269P1253-P1269 HydrophobicContact CB-CB 3.77Å; P1253-P1269 HydrophobicContact CB-CG 3.98Å; P1253-P1269 HydrophobicContact CG-CB 4.08Å; P1253-P1269 HydrophobicContact CG-CG 3.9Å
1254K35.4Very low36.2Very low160 Ų160103.8 Ų103.870%0.69663%0.634SS**  cis-162.3179.83.3-150.2-168.9174.2-177.90110.7
1255G36.7Very low36.5Very low52 Ų52101.4 Ų101.454%0.53662%0.623SS.*  trans-133.4160.7168.700000115
1256F35.4Very low37Very low214 Ų21497.9 Ų97.994%0.93961%0.611SS**  trans-105.9116.8173.4-67.3-94000108.5
1257V40.1Very low37.3Very low103 Ų10396.1 Ų96.162%0.62459%0.593SS**  74.28963-178.40000112.5
1258G35.9Very low37.7Very low62 Ų6290.8 Ų90.864%0.63957%0.574SS**SBendtrans-69.1158145.800000110.3K1260G1258-K1260 PolarHBondContact O-N 2.96Å
1259P35.1Very low38.1Very low126 Ų12687.3 Ų87.382%0.81855%0.552SS**SBendtrans-69.988.5-159.825.6-35.1000115.9
1260K38.8Very low38.6Very low120 Ų12086 Ų8652%0.52254%0.539SS..  trans46.279.9148-122.1-168.5174-151.80117.2K761 G762 G1258K761-K1260 CarbonylContact C-O 3Å; K761-K1260 VanDerWaalsContact C-O 3.3Å; K761-K1260 VanDerWaalsContact CA-O 3.27Å; K761-K1260 WeakPolarHBondContact CA-O 3.42Å; K761-K1260 VanDerWaalsContact CB-O 3.28Å; K761-K1260 WeakPolarHBondContact CB-O 3.35Å; G762-K1260 VanDerWaalsContact C-CE 3.44Å; G762-K1260 PolarHBondContact N-O 2.83Å; G762-K1260 VanDerWaalsContact N-O 3.12Å; G762-K1260 WeakPolarHBondContact O-CE 3.45Å; G762-K1260 PolarHBondContact O-NZ 3.04Å; G1258-K1260 PolarHBondContact O-N 2.96Å
1261G36Very low38.6Very low43 Ų4386.7 Ų86.744%0.44354%0.539SS..  trans-65.1178.514700000111.5G762 I763G762-G1261 CarbonylContact C-O 3.6Å; G762-G1261 WeakPolarHBondContact CA-O 3.44Å; G762-G1261 PolarHBondContact N-O 2.86Å; I763-G1261 PolarHBondContact N-O 2.87Å
1262F30Very low38.7Very low99 Ų9992 Ų9243%0.43456%0.555SS.*SBendtrans-65.8154.8-178.7-103-124.8000112.6G759 E760 K761 I763 G1264G759-F1262 WeakPolarHBondContact O-CE2 3.43Å; E760-F1262 VanDerWaalsContact CA-CD2 3.48Å; E760-F1262 HydrophobicContact CB-CB 4.48Å; E760-F1262 HydrophobicContact CB-CD2 4.25Å; E760-F1262 HydrophobicContact CG-CB 3.88Å; E760-F1262 HydrophobicContact CG-CD2 4.34Å; E760-F1262 HydrophobicContact CG-CG 4.25Å; E760-F1262 WeakPolarHBondContact OE2-CB 3.43Å; E760-F1262 PolarHBondContact OE2-N 2.97Å; K761-F1262 WeakPolarHBondContact O-CE2 3.24Å; I763-F1262 HydrophobicContact CG1-CB 3.95Å; I763-F1262 VanDerWaalsContact N-CA 3.31Å; F1262-G1264 PolarHBondContact O-N 3.29Å
1263P49.5Very low38.2Very low34 Ų3492.7 Ų92.722%0.22156%0.563CS.*  trans-54.861-165.30.31.7000121.1I763 A764 G765 S1265I763-P1263 VanDerWaalsContact C-N 3.33Å; I763-P1263 HydrophobicContact CB-CB 2.29Å; I763-P1263 HydrophobicContact CB-CG 2.33Å; I763-P1263 VanDerWaalsContact CB-O 3.27Å; I763-P1263 WeakPolarHBondContact CB-O 3.49Å; I763-P1263 HydrophobicContact CG1-CB 3.82Å; I763-P1263 HydrophobicContact CG1-CG 3.85Å; I763-P1263 HydrophobicContact CG2-CB 3.2Å; I763-P1263 HydrophobicContact CG2-CG 2.65Å; I763-P1263 VanDerWaalsContact N-CG 3.33Å; I763-P1263 VanDerWaalsContact O-CA 3.24Å; I763-P1263 WeakPolarHBondContact O-CA 3.3Å; A764-P1263 VanDerWaalsContact CA-CA 3.49Å; G765-P1263 VanDerWaalsContact CA-O 3.24Å; G765-P1263 WeakPolarHBondContact CA-O 3.44Å; G765-P1263 PolarHBondContact N-O 2.88Å; G765-P1263 VanDerWaalsContact N-O 3.09Å; P1263-S1265 PolarHBondContact O-N 3.03Å
1264G40.9Very low38.6Very low54 Ų5494.3 Ų94.356%0.55757%0.573SS**  trans-38.713216200000114.3G765 F1262 V1266G765-G1264 PolarHBondContact N-O 2.91Å; F1262-G1264 PolarHBondContact O-N 3.29Å; G1264-V1266 PolarHBondContact O-N 3.23Å
1265S36.2Very low38.7Very low81 Ų8193.3 Ų93.357%0.56658%0.581SS**  trans-102.883.6-13863.50000114.7I766 P767 P1263I766-S1265 CarbonylContact C-O 3.57Å; I766-S1265 VanDerWaalsContact C-O 3.3Å; I766-S1265 CarbonylContact O-C 3.48Å; I766-S1265 VanDerWaalsContact O-CB 3.24Å; I766-S1265 WeakPolarHBondContact O-CB 3.12Å; P767-S1265 VanDerWaalsContact CA-O 3.31Å; P767-S1265 WeakPolarHBondContact CA-O 3.36Å; P1263-S1265 PolarHBondContact O-N 3.03Å
1266V41.4Very low38.8Very low69 Ų6992.9 Ų92.942%0.41858%0.576SS.*  trans69.8142.4157.5152.30000115.4G765 P767 G1264G765-V1266 VanDerWaalsContact O-CB 3.28Å; G765-V1266 WeakPolarHBondContact O-CB 3.33Å; P767-V1266 WeakPolarHBondContact CA-O 3.24Å; P767-V1266 WeakPolarHBondContact CB-O 3.27Å; P767-V1266 HydrophobicContact CG-CB 4.38Å; P767-V1266 HydrophobicContact CG-CG1 3.75Å; G1264-V1266 PolarHBondContact O-N 3.23Å
1267G43.7Very low38.6Very low36 Ų3689.2 Ų89.237%0.37157%0.566SS.*PPolyproline II helixtrans-102.4138.3153.600000108.6P767 P1269P767-G1267 WeakPolarHBondContact CG-O 3.27Å; G1267-P1269 VanDerWaalsContact O-CD 3.29Å; G1267-P1269 WeakPolarHBondContact O-CD 3.33Å
1268P38Very low38.3Very low75 Ų7594 Ų9449%0.48757%0.573SS.*PPolyproline II helixtrans-59.9127.3158.8-6.323.4000104.9P767P767-P1268 HydrophobicContact CB-CB 4.48Å; P767-P1268 HydrophobicContact CB-CG 3.82Å; P767-P1268 VanDerWaalsContact CB-N 3.31Å
1269P46.9Very low38.4Very low42 Ų4294.1 Ų94.127%0.27357%0.574SS.*PPolyproline II helixtrans-57.6159.4175.3-24.935.6000111.4K1251 G1252 P1253 G1267K1251-P1269 HydrophobicContact CB-CB 3.75Å; K1251-P1269 HydrophobicContact CB-CG 4.45Å; K1251-P1269 HydrophobicContact CG-CB 3.88Å; K1251-P1269 HydrophobicContact CG-CG 4.37Å; K1251-P1269 WeakPolarHBondContact CG-O 3.29Å; G1252-P1269 VanDerWaalsContact C-CB 3.43Å; P1253-P1269 HydrophobicContact CB-CB 3.77Å; P1253-P1269 HydrophobicContact CB-CG 3.98Å; P1253-P1269 HydrophobicContact CG-CB 4.08Å; P1253-P1269 HydrophobicContact CG-CG 3.9Å; G1267-P1269 VanDerWaalsContact O-CD 3.29Å; G1267-P1269 WeakPolarHBondContact O-CD 3.33Å
1270G46Very low38.5Very low53 Ų5396.3 Ų96.355%0.54657%0.573SS.*  trans-139.1157.9178.600000112.5G1252G1252-G1270 VanDerWaalsContact CA-O 3.3Å; G1252-G1270 WeakPolarHBondContact CA-O 3.2Å; G1252-G1270 VanDerWaalsContact N-N 3.12Å; G1252-G1270 PolarHBondContact N-O 2.89Å
1271E30.1Very low38.2Very low130 Ų13096.7 Ų96.761%0.60758%0.581SS**  trans-123.5178.4-173.8-106.1-168.9-153.300116.3L1250L1250-E1271 HydrophobicContact CB-CB 4.26Å; L1250-E1271 HydrophobicContact CB-CG 4.28Å; L1250-E1271 WeakPolarHBondContact CB-OE2 3.24Å; L1250-E1271 PolarHBondContact O-N 3.07Å
1272R37.5Very low38.3Very low239 Ų239100.9 Ų100.990%0.90259%0.592SS**PPolyproline II helixtrans-61161.8-170-175.4174.9-71.2156.8-1.5114.4
1273G35.3Very low38.5Very low55 Ų55107.2 Ų107.257%0.56761%0.613SS**PPolyproline II helixtrans-66.1170.7177.900000115.6
1274P42.1Very low37.5Very low133 Ų133110.1 Ų110.186%0.86463%0.634SS**PPolyproline II helixtrans-75.2162.4-165.531.5-37.6000114.6
1275T36.9Very low37.4Very low140 Ų140112 Ų11286%0.85964%0.637SS**  trans-152.8124.8170.8-66.50000111.4
1276G38.3Very low37.2Very low43 Ų43115.4 Ų115.444%0.44365%0.654SS.*  trans64.675.6145.900000119.4
1277D32.9Very low36.7Very low137 Ų137115.6 Ų115.673%0.73367%0.669SS**  trans53.3176130.1-58.9-52.5000121.9
1278R33.5Very low36.4Very low203 Ų203120.6 Ų120.677%0.76670%0.695SS**  trans-101136.4-155.5-176.9-167.1-162.7114.913112.9E1245E1245-R1278 IonicContact OE1-NH2 2.74Å; E1245-R1278 IonicContact OE2-CZ 3.69Å; E1245-R1278 VanDerWaalsContact OE2-CZ 3.32Å; E1245-R1278 IonicContact OE2-NH1 3.57Å; E1245-R1278 PolarHBondContact OE2-NH1 3.3Å; E1245-R1278 IonicContact OE2-NH2 3.58Å; E1245-R1278 PolarHBondContact OE2-NH2 3.49Å
1279G37.2Very low36.4Very low64 Ų64125.7 Ų125.766%0.6671%0.71SS**  trans111.2147.9174.400000113.4
1280E36.6Very low36.4Very low172 Ų172126.7 Ų126.780%0.80473%0.728SS**  cis-162.3172.4-5-141.3-172.8133.900112.1
1281L34.1Very low35.9Very low129 Ų129134.1 Ų134.168%0.67575%0.748SS**  trans69.8113.3156.3-65.5165.4000123.1
1282L37.1Very low36.2Very low130 Ų130139.4 Ų139.468%0.68176%0.763SS**SBendtrans57157.6139.8-93.776000121.2S1284L1282-S1284 VanDerWaalsContact CA-OG 3.32Å; L1282-S1284 WeakPolarHBondContact CA-OG 3.27Å; L1282-S1284 PolarHBondContact N-OG 3.06Å; L1282-S1284 VanDerWaalsContact N-OG 3.14Å
1283R34Very low36.5Very low232 Ų232131.4 Ų131.488%0.87576%0.755SS**SBendcis-68-11.33.3-75.4-172.8177.3-143.2-0.4119.4
1284S29.3Very low36.7Very low95 Ų95137.1 Ų137.166%0.66477%0.771SS**SBendcis-92.894-10.7-57.10000110L1282L1282-S1284 VanDerWaalsContact CA-OG 3.32Å; L1282-S1284 WeakPolarHBondContact CA-OG 3.27Å; L1282-S1284 PolarHBondContact N-OG 3.06Å; L1282-S1284 VanDerWaalsContact N-OG 3.14Å
1285P37.5Very low36.4Very low95 Ų95139.4 Ų139.462%0.61778%0.775SS**SBend-149.5169.7124.536.1-18.5000115.9
1286V33.5Very low36.5Very low152 Ų152136.2 Ų136.292%0.92177%0.77SS**  trans77.2110.2165.1-164.20000118.2
1287G31.4Very low37.1Very low72 Ų72138.7 Ų138.774%0.74278%0.778SS**  trans158.3133.5166.400000113.4
1288P36.1Very low37.7Very low141 Ų141135.9 Ų135.992%0.91677%0.768SS**  trans-94.6152.7-174.535.2-34.7000116
1289K38.8Very low37.8Very low182 Ų182129 Ų12979%0.79176%0.76SS**  trans-122.9149.4178.9175.9-175.7177.9-176.60109.8
1290G45.9Very low38Very low63 Ų63129.8 Ų129.865%0.64976%0.76SS**  cis164.8123.4-9.900000115
1291E35.3Very low38.2Very low209 Ų209127.7 Ų127.798%0.97776%0.759SS**  trans58.9-173146.1-58.3-152.2114.500124.3
1292R38Very low38.7Very low242 Ų242124.8 Ų124.891%0.91376%0.76SS**  trans-149.5110.2-154.6175.5-152.7-84.8-169.9-6.7114.6
1293G42.3Very low38.8Very low71 Ų71129.4 Ų129.473%0.73277%0.768SS**  59.1139.6128.700000126.2
1294L39.9Very low38.8Very low174 Ų174126.1 Ų126.191%0.91176%0.76SS**  trans90.1129.4141-67.3170.8000123.9
1295L36.4Very low39.4Very low182 Ų182125.1 Ų125.195%0.95377%0.765SS**  trans-152.6175.7132.6-14270000109.9
1296G38.6Very low39.4Very low72 Ų72127.7 Ų127.774%0.74277%0.769SS**  trans-153.6-174.1-161.400000122.6
1297P51.7Low40.2Very low95 Ų95126.5 Ų126.562%0.61776%0.764SS**  trans-122.4162.8-168.943.3-32000116.1K809K809-P1297 VanDerWaalsContact CD-O 3.24Å; K809-P1297 WeakPolarHBondContact CD-O 3.35Å; K809-P1297 VanDerWaalsContact CE-O 3.24Å; K809-P1297 WeakPolarHBondContact CE-O 3.42Å
1298P45Very low40.2Very low79 Ų79126.4 Ų126.451%0.51376%0.763SS.*  -156.4-175.7102.443-25.2000117.3K809K809-P1298 HydrophobicContact CB-CG 4.25Å; K809-P1298 HydrophobicContact CD-CB 4.12Å; K809-P1298 HydrophobicContact CD-CG 4.03Å
1299G35.7Very low40.8Very low59 Ų59129.4 Ų129.461%0.60877%0.765SS**  trans-167.1157.7165.800000113.4R808R808-G1299 PolarHBondContact NH1-O 2.66Å
1300A40Very low40.7Very low80 Ų80126.5 Ų126.566%0.66177%0.765SS**  trans-162.7171.4-168.700000111.8
1301V41Very low40.2Very low127 Ų127127.4 Ų127.477%0.7777%0.774SS**  cis-161.1171.2-6.588.80000110.7
1302G44.5Very low40.5Very low68 Ų68122.7 Ų122.770%0.70177%0.771SS**  trans-169.1152.9166.300000112.7
1303R39.2Very low40.2Very low227 Ų227123.3 Ų123.386%0.85777%0.774SS**  trans-145.6138.8-168.6-128-173.3-165.9-165.48.4116.2E805E805-R1303 IonicContact OE2-NH2 3.03Å
1304K35.4Very low40.3Very low164 Ų164122.8 Ų122.871%0.71377%0.768SS**  trans53.3127.3153.4-168.4170.3-177.5170.40121.4E1306K1304-E1306 WeakPolarHBondContact CE-OE2 3.4Å; K1304-E1306 IonicContact NZ-OE2 3.86Å; K1304-E1306 PolarHBondContact NZ-OE2 3.15Å
1305G41.6Very low40Very low74 Ų74118.8 Ų118.876%0.76376%0.76SS**  trans-140.5141.2144.800000109.9
1306E37.8Very low40.6Very low148 Ų148113.6 Ų113.669%0.69274%0.737SS**  trans-152.6163.9178.4-86.8-174.8158.500107.4K1304K1304-E1306 WeakPolarHBondContact CE-OE2 3.4Å; K1304-E1306 IonicContact NZ-OE2 3.86Å; K1304-E1306 PolarHBondContact NZ-OE2 3.15Å
1307P49.5Very low40.5Very low127 Ų127113.7 Ų113.783%0.82574%0.738SS**  cis-133.6-171.5-33.739.2-23.1000111.3
1308G31.9Very low39.5Very low70 Ų70117.3 Ų117.372%0.72275%0.746SS**  trans152.3123.6159.600000115
1309E49.2Very low38.8Very low204 Ų204119.9 Ų119.995%0.95376%0.761SS**  trans-96.5130.8163.7-70-172.7137.800110
1310P36.8Very low38.7Very low121 Ų121121 Ų12179%0.78677%0.772SS**  trans-131.1134.8159.519.51.7000114.3
1311G34.3Very low38.1Very low83 Ų83125.9 Ų125.986%0.85678%0.781SS**  trans61.7115.6134.500000120.3
1312A42.5Very low38.3Very low110 Ų110125.1 Ų125.191%0.90978%0.779SS**  trans-84.1142.717600000114.7
1313R31.7Very low37.8Very low255 Ų255125.8 Ų125.896%0.96279%0.785SS**  trans-158140.4154.6-151.8167-178.1170.7-0.5108.8
1314G43.2Very low38.2Very low60 Ų60120.5 Ų120.562%0.61978%0.78SS**  cis-158.9-151.3200000114.8
1315A33.8Very low38.4Very low89 Ų89117.3 Ų117.374%0.73677%0.771SS**  trans-84.9178.6-172.600000112.7
1316P49.9Very low38.4Very low74 Ų74115.2 Ų115.248%0.48174%0.742SS.*  trans-92.2168.9-166.938-34.7000114.6
1317G36.3Very low38.7Very low73 Ų73115.8 Ų115.875%0.75374%0.743SS**  -96.9133.2128.400000107.5
1318E30.1Very low38.2Very low171 Ų171113.3 Ų113.380%0.79974%0.741SS**  cis76.2115.743-63.5-142.1128.100115
1319V29.4Very low38.5Very low134 Ų134114.5 Ų114.581%0.81274%0.744SS**  trans57.2118.5143.2-171.70000119.6
1320G34.6Very low38.4Very low81 Ų81111.1 Ų111.184%0.83574%0.739SS**  trans-156.545.1162.100000110.2
1321E27.6Very low38.5Very low183 Ų183108.9 Ų108.986%0.85574%0.738SS**  trans-74.6161.4-179-91.7-155135.900113
1322P46.1Very low38.6Very low112 Ų112113.3 Ų113.373%0.72774%0.736SS**  trans-99.6170.5-147.138.3-38.4000116
1323G33.6Very low38.5Very low81 Ų81116.9 Ų116.984%0.83573%0.731SS**  trans-135.895.1166.600000113.4
1324P46.7Very low39Very low117 Ų117108.1 Ų108.176%0.7672%0.72SS**  trans-96.1-178.9168.141.3-35.5000110.6
1325D40.7Very low38.6Very low96 Ų96109.3 Ų109.351%0.51372%0.719SS.*  cis-143.9-160.15.2-179.8-138.8000107.6F1327D1325-F1327 PolarHBondContact OD1-N 3.24Å
1326L41.2Very low39.4Very low30 Ų30111.5 Ų111.516%0.15773%0.726CS.*  -178117.5102.8-109.498.1000115.5V1194 G1195 P1196 P1197V1194-L1326 HydrophobicContact CB-CD2 4.05Å; V1194-L1326 HydrophobicContact CG1-CD2 3.62Å; V1194-L1326 HydrophobicContact CG2-CD2 4.29Å; G1195-L1326 WeakPolarHBondContact O-CB 3.45Å; P1196-L1326 CarbonylContact C-O 3.52Å; P1196-L1326 VanDerWaalsContact C-O 3.28Å; P1196-L1326 PolarHBondContact O-N 3.39Å; P1197-L1326 WeakPolarHBondContact CB-O 3.09Å; P1197-L1326 WeakPolarHBondContact CD-O 3.4Å
1327F42.9Very low39.1Very low160 Ų160110.9 Ų110.970%0.70273%0.733SS**  trans70.3141.2141.6-72-147.2000118.1P1197 D1325P1197-F1327 WeakPolarHBondContact CG-O 3.27Å; D1325-F1327 PolarHBondContact OD1-N 3.24Å
1328G39.4Very low39.3Very low76 Ų76113.8 Ų113.878%0.78474%0.738SS**  cis-161.9177.8-4.800000110
1329A39.3Very low40.1Very low95 Ų95112.2 Ų112.279%0.78574%0.741SS**  cis-147.5164.97.600000110.6
1330P45.4Very low40.8Very low133 Ų133108.7 Ų108.786%0.86473%0.731SS**  trans-87.1164.7-17335.2-35.6000113.6
1331G40Very low41Very low73 Ų73115 Ų11575%0.75373%0.73SS**  cis149.2150.5-5.100000112.3
1332E36.4Very low41.8Very low177 Ų177112.3 Ų112.383%0.82773%0.728SS**  trans-134.9118.5172.9-89.8-133.7111.800115.1
1333K39.9Very low41.6Very low185 Ų185110.1 Ų110.180%0.80473%0.726SS**  trans29.2145.5139.3-125.5162-175.9168.20121.7K477K477-K1333 PolarHBondContact NZ-O 3.18Å
1334G42.7Very low41.8Very low70 Ų70113.1 Ų113.172%0.72273%0.728SS**  trans-69.8152.316900000112.9
1335S34.3Very low41.6Very low86 Ų86113.1 Ų113.160%0.60173%0.728SS**  trans-123.6148.717153.10000109.4
1336P49.9Very low41.6Very low134 Ų134112 Ų11287%0.8774%0.739SS**  trans-84.2-178.3-152.7-14.933.2000115.5
1337G44.7Very low41.3Very low61 Ų61119.9 Ų119.963%0.62978%0.777SS**SBendtrans-58.4160171.100000113.3T1339G1337-T1339 PolarHBondContact O-N 3.27Å
1338P41.1Very low41.1Very low134 Ų134122.2 Ų122.287%0.8778%0.781SS**PPolyproline II helixtrans-66.8122.8-164.125.4-34.7000113.5
1339T47.1Very low41.1Very low139 Ų139121.3 Ų121.385%0.85377%0.772SS**PPolyproline II helixtrans-55.7151.2167.3-48.80000111.4G1337G1337-T1339 PolarHBondContact O-N 3.27Å
1340G42.9Very low41.1Very low59 Ų59123 Ų12361%0.60878%0.776SS**PPolyproline II helixtrans-57.2163.8172.100000113.6
1341R38.6Very low40.8Very low214 Ų214125.2 Ų125.281%0.80877%0.771SS**PPolyproline II helixtrans-52131.2-176.1-72.3-174.1178.5-173.51.9111.8
1342P44.4Very low40.7Very low127 Ų127125.1 Ų125.183%0.82577%0.771SS**PPolyproline II helixtrans-57.2146170.6-25.234.7000112.4
1343G41.8Very low40.8Very low66 Ų66124 Ų12468%0.6878%0.775SS**PPolyproline II helixtrans-66.9162.6162.500000111.5
1344V37.5Very low40.6Very low144 Ų144125 Ų12587%0.87378%0.78SS**PPolyproline II helixtrans-60131.9178-172.50000109.5G1346V1344-G1346 PolarHBondContact O-N 3.23Å
1345P44.5Very low40.2Very low117 Ų117125.1 Ų125.176%0.7678%0.781SS**PPolyproline II helixtrans-58.9129.4-174.7-27.335.5000113.6
1346G39.1Very low40.5Very low72 Ų72128 Ų12874%0.74279%0.794SS**PPolyproline II helixtrans-67.8135.117000000111.3V1344V1344-G1346 PolarHBondContact O-N 3.23Å
1347M35.7Very low39.8Very low196 Ų196126.5 Ų126.597%0.96679%0.788SS**PPolyproline II helixtrans-64.5138.4175.9-72.3-177.269.700111.2G1349M1347-G1349 PolarHBondContact O-N 3.03Å
1348R38.6Very low39.7Very low208 Ų208129.2 Ų129.279%0.78579%0.794SS**  trans-82.7113.1-168.9-179.2-171.6-163.8176.414.4112.1
1349G39.7Very low39.5Very low58 Ų58135 Ų13560%0.59880%0.799SS**PPolyproline II helixtrans-64144.6158.800000111.4M1347M1347-G1349 PolarHBondContact O-N 3.03Å
1350P39.9Very low38.8Very low131 Ų131137.3 Ų137.385%0.85180%0.8SS**PPolyproline II helixtrans-67.8162.4-174.127.3-34.6000113.7
1351K37.5Very low38.8Very low178 Ų178140.7 Ų140.777%0.77481%0.811SS**PPolyproline II helixtrans-72136.7-179.1-75.6179.6175.9175.70112.5
1352G39.2Very low38.7Very low72 Ų72134.2 Ų134.274%0.74281%0.81SS**PPolyproline II helixtrans-76.8170.5152.900000112.9
1353V38Very low38.2Very low152 Ų152137.3 Ų137.392%0.92181%0.814SS**PPolyproline II helixtrans-102.7173.7-167.4-166.50000112.2
1354K36Very low38.3Very low207 Ų207139.7 Ų139.790%0.982%0.817SS**PPolyproline II helixtrans-85151.4-167.5-61.4176.3177.3176.80115.6
1355G34.7Very low38.4Very low72 Ų72136.2 Ų136.274%0.74281%0.811SS**  trans86.5156.4148.500000116.3
1356V39.4Very low37.9Very low146 Ų146139.7 Ų139.789%0.88582%0.817SS**  cis-146159.4-4.8-173.40000108.4
1357S35.3Very low38.1Very low104 Ų104147 Ų14773%0.72782%0.822SS**  trans-88178.9176.956.90000113.2
1358P42.5Very low38.2Very low117 Ų117141 Ų14176%0.7681%0.81SS**  cis-133.2150.6-5.438.1-21.1000116.4
1359R36.9Very low38.1Very low257 Ų257134.8 Ų134.897%0.9780%0.803SS**  trans-176.2147.3145-105.3173-168.4-148.32.4110.2
1360E32.8Very low37.9Very low187 Ų187140 Ų14087%0.87482%0.817SS**  trans-111.7169.2178.1-72.4-172.1141.600110.9
1361P43.7Very low38.2Very low130 Ų130137.2 Ų137.284%0.84481%0.813SS**  cis-129.5176.7-23.329.6-10000113.7
1362G35.7Very low38.4Very low77 Ų77135 Ų13579%0.79482%0.816SS**  trans-178.9132.716600000114.4
1363E33.7Very low39Very low193 Ų193137.9 Ų137.990%0.90282%0.822SS**  trans-104.3-168.3180-55.4-164.4113.100112.7
1364P43.9Very low39Very low115 Ų115133.8 Ų133.875%0.74781%0.81SS**  -133.4136-91.239.5-21.7000117.4
1365G39.8Very low39Very low72 Ų72131.6 Ų131.674%0.74281%0.807SS**  trans43.5146.714100000125.2
1366Q34.4Very low39.4Very low190 Ų190135.9 Ų135.989%0.88881%0.805SS**  trans-168.7129.4132.6-111.3174.691.400116.8
1367R43.6Very low39.9Very low225 Ų225131 Ų13185%0.84978%0.784SS**  trans27131.5142.6-167.8-172-60.2-174.12.9123.6
1368G36.5Very low40.2Very low69 Ų69134.3 Ų134.371%0.71179%0.788SS**  trans-136.1148.4130.900000109
1369A36.4Very low39.8Very low78 Ų78140 Ų14065%0.64579%0.794SS**  cis76.3129.620.300000114.4
1370D36.3Very low40.6Very low167 Ų167129.5 Ų129.589%0.89377%0.766SS**  cis-154.4-164.4-0.6-97-26.5000112
1371G46.2Very low40.9Very low74 Ų74124.2 Ų124.276%0.76375%0.749SS**  trans-74.7-138.3-17900000116.5
1372P40.7Very low40.4Very low130 Ų130127.4 Ų127.484%0.84475%0.749SS**  cis-142.6-168.42242.3-20.1000116.3
1373P53.5Low40.5Very low134 Ų134125.6 Ų125.687%0.8773%0.731SS**  trans-124.7-172.3-170.744.4-32.6000117.1
1374G38Very low40.6Very low65 Ų65124.4 Ų124.467%0.6772%0.723SS**  trans-162.3-178167.600000110.9
1375I34.5Very low40.3Very low161 Ų161126.7 Ų126.783%0.82673%0.728SS**  cis-148.3-173.8-2.558.8169.3000110.1
1376K42.6Very low40Very low163 Ų163126.4 Ų126.471%0.70973%0.726SS**  trans-159.9153.3178.8-171.8170.8179.9174.10110.3
1377G51.8Low39.8Very low43 Ų43122.4 Ų122.444%0.44372%0.719SS.*  cis118.9145.67.500000112.1G1380G1377-G1380 WeakPolarHBondContact O-CA 3.32Å
1378E39.9Very low39.8Very low174 Ų174119.7 Ų119.781%0.81372%0.719SS**THydrogen-bonded Turntrans-100.4147.1-171.9-70.4-148.3144.100115.9
1379R35.8Very low40Very low235 Ų235120 Ų12089%0.88772%0.722SS**THydrogen-bonded Turncis-107.6110-16.3-176.7-174.3-77.6-158.9-1.5108.9
1380G52.5Low39.9Very low37 Ų37128.1 Ų128.138%0.38174%0.736SS.*  cis69.6179.7-5.900000115.8G1377G1377-G1380 WeakPolarHBondContact O-CA 3.32Å
1381P39.7Very low39.9Very low77 Ų77129.9 Ų129.950%0.574%0.736SS.*  cis-87.8126.7-35.333.7-26.4000110.2
1382K32.9Very low39.5Very low197 Ų197129.5 Ų129.586%0.85773%0.732SS**  trans-161.3128.3154.9-121.9168-176.4172.40109.8
1383G38.4Very low39.2Very low39 Ų39130.9 Ų130.940%0.40273%0.732SS.*  cis-56.7173.1-1.400000115.9
1384F35.3Very low38.7Very low168 Ų168130.3 Ų130.374%0.73773%0.728SS**  cis-126.5-162.527.4-82.8-91.3000114.8
1385D37.4Very low38.6Very low162 Ų162130.6 Ų130.687%0.86673%0.73SS**  trans69.7137.1-177.2-54.1-18.2000117.5
1386G34.2Very low39Very low67 Ų67131.2 Ų131.269%0.69173%0.734SS**  cis-164.5160.21.500000115.7
1387S30.6Very low38.5Very low105 Ų105131.5 Ų131.573%0.73474%0.736SS**  trans-42.5141.9175.5490000117.8
1388I42.1Very low38Very low169 Ų169132.5 Ų132.587%0.86775%0.746SS**  trans64.9107.1140.7-58.2164.7000117
1389G41.5Very low37.8Very low74 Ų74130.6 Ų130.676%0.76374%0.737SS**  trans-142131.8165.400000111
1390R34.4Very low37.7Very low249 Ų249128.2 Ų128.294%0.9474%0.736SS**  trans-76.2164.4-165.5-70179.9171.9-171.3-2.1114.8
1391K36.8Very low36.8Very low204 Ų204129.8 Ų129.889%0.88775%0.752SS**  trans-64.1144.4171.5-73.2-179.9176.4176.30113.4
1392G37Very low36.6Very low67 Ų67130.9 Ų130.969%0.69177%0.768SS**  trans-179110.7151.600000106.4
1393L34.9Very low37.2Very low159 Ų159130 Ų13083%0.83276%0.764SS**  61.9134.555.5-59.1176000113
1394P42.8Very low37.2Very low122 Ų122131.7 Ų131.779%0.79278%0.781SS**  cis-129.9163.31.840.3-24.7000116.7
1395G34.7Very low37.6Very low70 Ų70131.6 Ų131.672%0.72278%0.781SS**  trans57.3123.9133.300000123.1
1396L43.1Very low37.9Very low174 Ų174129.7 Ų129.791%0.91178%0.777SS**  155.4157.2106.7-80.4173.5000111.1
1397K31.9Very low38.8Very low169 Ų169129.8 Ų129.874%0.73578%0.779SS**  -160.3149.7-57.5-166.5-164.2-176.7-147.70105.9E1399K1397-E1399 WeakPolarHBondContact CE-OE1 3.35Å; K1397-E1399 HydrophobicContact CG-CG 4.44Å; K1397-E1399 IonicContact NZ-OE1 2.6Å; K1397-E1399 PolarHBondContact NZ-OE1 3.36Å
1398G41.9Very low38.6Very low64 Ų64134.5 Ų134.566%0.6679%0.786SS**  trans140.263.3-177.200000110.7
1399E36.1Very low38.2Very low135 Ų135133.8 Ų133.863%0.63179%0.79SS**  69.812884-65.6178.6-179.600112.8K1397K1397-E1399 WeakPolarHBondContact CE-OE1 3.35Å; K1397-E1399 HydrophobicContact CG-CG 4.44Å; K1397-E1399 IonicContact NZ-OE1 2.6Å; K1397-E1399 PolarHBondContact NZ-OE1 3.36Å
1400Q32.6Very low38Very low185 Ų185132.9 Ų132.986%0.86478%0.781SS**  cis-159.1155.8-13.5-175162.1-40.400106.5
1401G35.5Very low38Very low69 Ų69132.8 Ų132.871%0.71178%0.78SS**  cis-149.2-142.29.500000115
1402A33.6Very low38.2Very low100 Ų100129 Ų12983%0.82678%0.777SS**  trans-134.9139.4-138.600000118.1
1403K45.4Very low38.1Very low178 Ų178129.4 Ų129.477%0.77478%0.78SS**  27.5130.9127.3-160.9-179.7-167.5-179.50120F1405K1403-F1405 HydrophobicContact CD-CE2 4.35Å
1404G39.3Very low38Very low75 Ų75130.7 Ų130.777%0.77378%0.782SS**  trans-133.5153.7160.600000112.6
1405F43.6Very low37.7Very low166 Ų166131.7 Ų131.773%0.72879%0.786SS**  trans-106.6171.2175-85.2-94.5000110.5K1403 G1407K1403-F1405 HydrophobicContact CD-CE2 4.35Å; F1405-G1407 PolarHBondContact O-N 3.09Å
1406P44.3Very low37.9Very low122 Ų122131.7 Ų131.779%0.79279%0.786SS**PPolyproline II helixtrans-54128.8156.6-19.332.4000109.3
1407G52Low37.5Very low70 Ų70131.9 Ų131.972%0.72278%0.782SS**PPolyproline II helixtrans-68.9166-179.700000113F1405F1405-G1407 PolarHBondContact O-N 3.09Å
1408K26.6Very low37.7Very low203 Ų203133.2 Ų133.288%0.88379%0.788SS**PPolyproline II helixtrans-57.9158.8152.9-68.8-178.1177.2-179.60109.1G1410K1408-G1410 PolarHBondContact O-N 3.34Å
1409T34.4Very low37.7Very low154 Ų154133.4 Ų133.495%0.94579%0.789SS**SBendtrans-57.9129.5172-360000111.5
1410G37.1Very low37.6Very low56 Ų56135.2 Ų135.258%0.57780%0.804SS**  trans140.3105-175.400000108.6K1408K1408-G1410 PolarHBondContact O-N 3.34Å
1411R34.1Very low38.3Very low247 Ų247137.7 Ų137.793%0.93281%0.805SS**  64.3140.568.5-68.9-172.2170.9-166.7-1.2113.2
1412P40.9Very low38.6Very low124 Ų124138.1 Ų138.181%0.80581%0.809SS**  cis-135.9170-41.438.3-22.4000113.1
1413G34.3Very low39Very low75 Ų75138.7 Ų138.777%0.77381%0.805SS**  trans79.3165.7175.700000115.1
1414E34.6Very low38.8Very low186 Ų186137.5 Ų137.587%0.86981%0.812SS**  cis-145.8151.3-7.4-73.2-160.8119.300112.9
1415V34.9Very low38.8Very low143 Ų143137 Ų13787%0.86781%0.807SS**  trans25.3131.2140.4-169.70000122.8
1416G39.1Very low39Very low70 Ų70134.5 Ų134.572%0.72280%0.801SS**  trans99.9141.5153.700000117
1417E36Very low38.6Very low178 Ų178134.5 Ų134.583%0.83280%0.801SS**  cis-148140.6-13.1-88.7-145.8102.300112.5
1418K35.9Very low37.7Very low198 Ų198133.8 Ų133.886%0.86179%0.794SS**  trans35.5123.9134.3-155.3176.1-176.2-1790122.9
1419G41.3Very low38Very low67 Ų67132.3 Ų132.369%0.69180%0.795SS**  trans115.7130.5156.800000115.1
1420D34.2Very low38.1Very low174 Ų174133.9 Ų133.993%0.9379%0.789SS**  cis-140.2159.7-5.4-90-35.7000111.4
1421R48.3Very low38.1Very low236 Ų236134.9 Ų134.989%0.89180%0.8SS**  trans-109.8107.6-168.7-178-175.6-178.61791.4113.1
1422G40.7Very low38Very low78 Ų78129.1 Ų129.180%0.80480%0.797SS**  trans-102.5123.8168.500000113.1
1423P41.1Very low37.8Very low112 Ų112133.4 Ų133.473%0.72780%0.803SS**  trans-108.5145.8173.236.6-28.3000113.4
1424T41.6Very low37.9Very low153 Ų153133.2 Ų133.294%0.93980%0.801SS**  trans-132.1145.8165.4-52.70000107.9
1425G39Very low38Very low64 Ų64132.3 Ų132.366%0.6680%0.801SS**  trans101.392.3165.300000114.8
1426L48.7Very low37.9Very low114 Ų114133 Ų13360%0.59779%0.792SS**  trans-28.7134.9155.7-36175.8000112.7D1467 D1468L1426-D1467 WeakPolarHBondContact CD2-O 3.48Å; L1426-D1468 HydrophobicContact CD2-CB 4.47Å
1427P36.3Very low37.8Very low122 Ų122133 Ų13379%0.79279%0.792SS**  -134.8138.811024-7.3000112.3
1428G32.5Very low37.7Very low56 Ų56131.3 Ų131.358%0.57778%0.784SS**  trans-78.8158.8167.900000111.7
1429D33.3Very low37.9Very low171 Ų171129.3 Ų129.391%0.91478%0.781SS**  trans-158.3159.2147.9-127.8-27.2000113
1430K35.4Very low37.5Very low188 Ų188129 Ų12982%0.81778%0.777SS**  trans-131.3115.1174.9173.8-148.2174.1-158.60107.1
1431G37Very low38.2Very low77 Ų77132.4 Ų132.479%0.79478%0.777SS**  cis145.8162.48.900000108.7
1432S32.4Very low38Very low125 Ų125127.4 Ų127.487%0.87478%0.775SS**  trans-136140.1-177.752.50000112.6
1433K36.3Very low37.8Very low214 Ų214126.9 Ų126.993%0.9377%0.77SS**  trans-84.2133.6172-88.5-169.2172.2-171.10110.8
1434G38.2Very low37.4Very low71 Ų71129.8 Ų129.873%0.73278%0.779SS**  trans45.1120.9139.100000121.7
1435I35.7Very low37.2Very low168 Ų168131.8 Ų131.886%0.86278%0.777SS**  -138.6131.4103.929.2176.1000108
1436K33.5Very low37Very low156 Ų156131.7 Ų131.768%0.67878%0.776SS**  36.1113.9108.5-154-173.2179.1-163.80112.5D382D382-K1436 IonicContact OD2-NZ 3.27Å
1437G36Very low36.4Very low70 Ų70132.5 Ų132.572%0.72279%0.788SS**  trans-120.9-174.9163.100000108.9
1438E33.4Very low36.3Very low144 Ų144136.8 Ų136.867%0.67380%0.795SS**  trans-145.7148.1-175.2-96.9-178.5-178.900115.4
1439I40.9Very low36.5Very low156 Ų156136.5 Ų136.580%0.879%0.791SS**  trans63.1150.9141.3-63.8167000118.9
1440G33.8Very low36.5Very low59 Ų59135.6 Ų135.661%0.60879%0.787SS**  trans179.2176.1170.700000113.9
1441R48.3Very low36.5Very low246 Ų246133.1 Ų133.193%0.92879%0.787SS**  trans68.9122.6-177.3-53.6-178.2175.8-152.7-2.8113.6
1442P44.9Very low36.2Very low131 Ų131133.3 Ų133.385%0.85178%0.781SS**  -98.3-177.967.4-1533.5000114.2
1443G35.8Very low36.1Very low67 Ų67135 Ų13569%0.69178%0.779SS**  cis101.1137.620.700000110.1
1444L32.4Very low35.9Very low174 Ų174129.7 Ų129.791%0.91177%0.769SS**  cis-160.1-17213.8-111.6168.6000111.1
1445Q37Very low35.6Very low194 Ų194132.9 Ų132.991%0.90777%0.774SS**  trans76.1118.3163.9-163.2174.880.800117
1446G34.2Very low35.5Very low62 Ų62132.3 Ų132.364%0.63977%0.772SS**  cis-179.7154.9-9.500000112.3
1447P37.5Very low35.8Very low131 Ų131128.8 Ų128.885%0.85178%0.78SS**  trans-77.5141.5172.932.4-32.8000110.7
1448K34.5Very low36Very low213 Ų213132.8 Ų132.893%0.92678%0.783SS**  trans-94.4107.2151.4-167.7175.8-176-179.90106.2
1449G36.1Very low36.2Very low49 Ų49134.1 Ų134.151%0.50579%0.787SS.*  trans-77.5-169.5176.500000112.1
1450D32.7Very low36.2Very low153 Ų153130.3 Ų130.382%0.81879%0.786SS**  cis-147.8154.2-2.4-71.3-71.8000106.6
1451T35.6Very low36.1Very low135 Ų135134.7 Ų134.783%0.82879%0.791SS**  170.3165.783.636.30000110.6
1452A31.8Very low35.5Very low82 Ų82133.1 Ų133.168%0.67879%0.791SS**  trans68.3108.2146.100000123
1453I30.3Very low35.1Very low159 Ų159130 Ų13082%0.81578%0.783SS**  80.5126.3125.8-61.9168.1000120.6
1454S30.8Very low35.4Very low103 Ų103135.1 Ų135.172%0.7279%0.792SS**  trans87.6117.6149.668.50000123.9
1455V33.4Very low35.9Very low139 Ų139138.1 Ų138.184%0.84279%0.792SS**  trans87.9157.1130.9173.10000121.1
1456L32.6Very low36.2Very low155 Ų155132 Ų13281%0.81278%0.78SS**  trans-56.9155.4-164.5-83.356.4000117.6
1457G40.4Very low36.4Very low83 Ų83136.2 Ų136.286%0.85679%0.788SS**  trans-166.263.2172.900000115.5
1458I40.2Very low36.7Very low153 Ų153135 Ų13579%0.78578%0.775SS**  trans-73.3162.7173.111.1170.7000111.6
1459K37.4Very low37Very low172 Ų172127.8 Ų127.875%0.74876%0.76SS**  cis-162167.2-0.6-169.7169.9178.1178.10108.5E1461K1459-E1461 WeakPolarHBondContact CE-OE2 3.48Å; K1459-E1461 IonicContact NZ-OE2 2.71Å; K1459-E1461 PolarHBondContact NZ-OE2 2.93Å
1460G39.9Very low37.1Very low77 Ų77136.2 Ų136.279%0.79478%0.783SS**  trans176.3107159.900000115.6
1461E32.9Very low37.6Very low150 Ų150136.5 Ų136.570%0.70178%0.782SS**  trans-122.4124.4-170.5-65.3176.991.100114.9K1459K1459-E1461 WeakPolarHBondContact CE-OE2 3.48Å; K1459-E1461 IonicContact NZ-OE2 2.71Å; K1459-E1461 PolarHBondContact NZ-OE2 2.93Å
1462K34.6Very low38Very low213 Ų213132.6 Ų132.693%0.92677%0.769SS**  44.2124126-161-179.7-172.2179.60121.5
1463G36.2Very low38.7Very low67 Ų67135.3 Ų135.369%0.69178%0.779SS**  trans179163.315700000111
1464I43Very low39.2Very low173 Ų173136 Ų13689%0.88778%0.776SS**  cis-144.6162.1-18.6-48.6178.5000106.1
1465R42.3Very low39.7Very low238 Ų238134.1 Ų134.190%0.89877%0.773SS**PPolyproline II helixtrans-88.6138.7172.4-173.3177.7-175.3163.81.4110.2
1466G43.6Very low40.2Very low64 Ų64135.9 Ų135.966%0.6678%0.777SS**PPolyproline II helixtrans-79.5163.6-176.500000115.4
1467D38.5Very low40.9Very low151 Ų151134 Ų13481%0.80777%0.774SS**PPolyproline II helixtrans-73.8146.5-171.9-48.8-79.7000114.2L1426L1426-D1467 WeakPolarHBondContact CD2-O 3.48Å
1468D44.7Very low41Very low107 Ų107133.3 Ų133.357%0.57277%0.767SS**  trans-133.6158.1169.7-138.5-37.5000109L1426L1426-D1468 HydrophobicContact CD2-CB 4.47Å
1469G41.1Very low41.2Very low60 Ų60134.3 Ų134.362%0.61977%0.772SS**  trans-62.7152.3-157.500000117.6M1471G1469-M1471 VanDerWaalsContact C-N 3.35Å; G1469-M1471 PolarHBondContact O-N 3.41Å
1470F38.1Very low41.4Very low226 Ų226134 Ų13499%0.99178%0.778SS**  trans-62.184.8174.7-81.8-86.9000112.8
1471M41.6Very low41.7Very low159 Ų159133.1 Ų133.178%0.78377%0.77SS**  trans-81.9135.9164.2-177.4170.851.400109.6G1469G1469-M1471 VanDerWaalsContact C-N 3.35Å; G1469-M1471 PolarHBondContact O-N 3.41Å
1472G45.3Very low41.9Very low54 Ų54131.6 Ų131.656%0.55778%0.776SS**  trans-60162.2-174.100000115K1474G1472-K1474 PolarHBondContact O-N 2.82Å
1473P45.7Very low42.5Very low139 Ų139127.8 Ų127.890%0.90377%0.773SS**  trans-59.2112.3-171.624-34.4000111.8
1474K40.3Very low42.7Very low172 Ų172128 Ų12875%0.74878%0.775SS**PPolyproline II helixtrans-78.9126.5169.6-143.9174.6-171.8175.30107.6G1472G1472-K1474 PolarHBondContact O-N 2.82Å
1475G42.9Very low42.5Very low64 Ų64124.5 Ų124.566%0.6677%0.772SS**PPolyproline II helixtrans-55146.2-178.400000112.7P1477G1475-P1477 WeakPolarHBondContact O-CD 3.24Å
1476L43.7Very low42.9Very low177 Ų177119.2 Ų119.293%0.92777%0.769SS**PPolyproline II helixtrans-55.4123.6176-72.8167.2000110.3
1477P47.3Very low43.3Very low116 Ų116119.4 Ų119.475%0.75377%0.77SS**PPolyproline II helixtrans-62.5158.8164.2-19.833.8000111G1475G1475-P1477 WeakPolarHBondContact O-CD 3.24Å
1478G42.5Very low43.6Very low68 Ų68118.9 Ų118.970%0.70178%0.775SS**PPolyproline II helixtrans-61.5155.5-18000000113.9D1480G1478-D1480 PolarHBondContact O-N 3.31Å; G1478-D1480 VanDerWaalsContact O-N 3.16Å
1479I44.3Very low43.4Very low173 Ų173125.9 Ų125.989%0.88779%0.794SS**  trans-86.975.7179.2-40.9174.3000109.8
1480D40Very low43.4Very low165 Ų165126.1 Ų126.188%0.88280%0.796SS**  trans-76.4127.9158.6-59-31.7000107.5G1478G1478-D1480 PolarHBondContact O-N 3.31Å; G1478-D1480 VanDerWaalsContact O-N 3.16Å
1481G46.9Very low43.3Very low59 Ų59124.8 Ų124.861%0.60879%0.793SS**  cis167.1130.8-6.200000107.6P1483G1481-P1483 VanDerWaalsContact O-CD 3.29Å; G1481-P1483 WeakPolarHBondContact O-CD 3.06Å
1482S37.6Very low43.7Very low119 Ų119123.5 Ų123.583%0.83280%0.796SS**  trans-71.6118.9-179.351.60000110.5
1483P47Very low43.4Very low132 Ų132123.9 Ų123.986%0.85780%0.8SS**  trans-59.5140.8-179.4-24.936.2000112.3G1481G1481-P1483 VanDerWaalsContact O-CD 3.29Å; G1481-P1483 WeakPolarHBondContact O-CD 3.06Å
1484G41.3Very low43.2Very low72 Ų72125.3 Ų125.374%0.74280%0.8SS**  trans-86.9176.1-165.300000115.9
1485A38.4Very low43.2Very low99 Ų99124 Ų12482%0.81881%0.806SS**PPolyproline II helixtrans-73.6137.2167.300000110.5
1486P51.3Low43.2Very low128 Ų128124.6 Ų124.683%0.83181%0.812SS**PPolyproline II helixtrans-64.4145.9175.8-22.534000113.3
1487G50.1Low42.8Very low68 Ų68124.9 Ų124.970%0.70181%0.809SS**PPolyproline II helixtrans-85.1148.5168.300000112.3
1488P45.5Very low42.8Very low139 Ų139123.9 Ų123.990%0.90380%0.803SS**PPolyproline II helixtrans-71.8168.7172.630.9-34.5000112.7
1489R41.7Very low42.5Very low255 Ų255126.2 Ų126.296%0.96281%0.808SS**  trans-121.1148.6-162.3172.1-175179.6171.94112.5
1490G39.7Very low42.4Very low65 Ų65123.9 Ų123.967%0.6780%0.804SS**  trans119.3149.6161.100000114.9
1491E36.5Very low42.6Very low197 Ų197123 Ų12392%0.92180%0.804SS**  cis-147.2165.9-3.5-66.6-164.3123.600111.4
1492P49Very low42.2Very low132 Ų132123.2 Ų123.286%0.85781%0.807SS**  trans-121175.9-167.241.8-28.9000116.8
1493G39.8Very low42.3Very low62 Ų62124 Ų12464%0.63981%0.809SS**  trans123.4145164.800000114.5
1494D40.8Very low42.1Very low170 Ų170127.9 Ų127.991%0.90981%0.812SS**  cis-157-176.3-8.6-97.5-38.3000111.8
1495V41.3Very low42.2Very low144 Ų144127.4 Ų127.487%0.87381%0.807SS**  trans-87.2152.9-156.9176.90000117.2
1496G43.6Very low42.4Very low76 Ų76133.4 Ų133.478%0.78481%0.811SS**  trans-170.5128161.200000116.4
1497E35.2Very low42.5Very low184 Ų184133.1 Ų133.186%0.8681%0.809SS**  trans-122.3175.7178.5-97-152.5125.800111
1498P46.3Very low42.6Very low95 Ų95132.6 Ų132.662%0.61780%0.804SS**  cis-139.5167.1-45.439.6-23000114.9
1499S36.7Very low42.6Very low117 Ų117129.4 Ų129.482%0.81878%0.783SS**  trans69.2164.4162.4-60.60000118.3
1500P42Very low43.1Very low123 Ų123122.1 Ų122.180%0.79977%0.767SS**  cis-130.3-178.27.543.3-26.6000117.8
1501V43.2Very low43.7Very low147 Ų147120.2 Ų120.289%0.89175%0.747SS**  trans-25.6133.8-180-174.90000120.1
1502G39.9Very low44.1Very low64 Ų64117.7 Ų117.766%0.6674%0.735SS**  trans-133.7164.7159.300000112.3
1503P38.6Very low44.2Very low136 Ų136118 Ų11888%0.88372%0.723SS**  trans-92.7167-153.535-37.4000118.5
1504K42.3Very low44.7Very low212 Ų212118.3 Ų118.392%0.92273%0.727SS**  trans-54.8130.2-177-178.2-177.5-177.5-178.70115.4
1505G43.2Very low44.8Very low62 Ų62120.1 Ų120.164%0.63973%0.727SS**  trans-117131.3169.700000113.1
1506Y42.9Very low45.5Very low226 Ų226121.9 Ų121.989%0.88673%0.728SS**  trans4.7149.4170.7-55.2-76.4000123.6
1507P54.2Low46.3Very low121 Ų121121 Ų12179%0.78672%0.719SS**PPolyproline II helixtrans-72.9146.2166.8-1.819.6000111.5
1508G52.6Low47Very low58 Ų58118.4 Ų118.460%0.59872%0.718SS**PPolyproline II helixtrans-76.5170.7159.700000111.9
1509P44.7Very low47.3Very low71 Ų71122.9 Ų122.946%0.46173%0.731SS.*PPolyproline II helixtrans-64172.6166.6-1530.5000111.7I501I501-P1509 VanDerWaalsContact CD1-O 3.27Å; I501-P1509 WeakPolarHBondContact CD1-O 3.3Å; I501-P1509 WeakPolarHBondContact CG1-O 3.06Å
1510T51.4Low48.2Very low103 Ų103120 Ų12063%0.63272%0.72SS**PPolyproline II helixtrans-90.5158.6-177.7-63.40000112.1P498 G499 P500 I501P498-T1510 HydrophobicContact CB-CG2 4.34Å; G499-T1510 CarbonylContact C-O 3.52Å; G499-T1510 CarbonylContact O-C 3.58Å; P500-T1510 CarbonylContact C-O 3.55Å; P500-T1510 VanDerWaalsContact CA-O 3.28Å; P500-T1510 WeakPolarHBondContact CA-O 3.46Å; I501-T1510 WeakPolarHBondContact CA-O 3.39Å; I501-T1510 WeakPolarHBondContact CG1-O 3.3Å; I501-T1510 PolarHBondContact N-O 3.35Å
1511G53.2Low48.7Very low25 Ų25120.4 Ų120.426%0.25872%0.722SS.*PPolyproline II helixtrans-86.6167.9-162.200000120.7P498 G499P498-G1511 CarbonylContact C-O 3.45Å; P498-G1511 WeakPolarHBondContact CA-O 3.42Å; P498-G1511 WeakPolarHBondContact CB-O 3.3Å; P498-G1511 VanDerWaalsContact O-O 3.08Å; G499-G1511 CarbonylContact C-O 3.49Å; G499-G1511 WeakPolarHBondContact CA-O 3.35Å; G499-G1511 PolarHBondContact N-O 3.25Å; G499-G1511 CarbonylContact O-C 2.61Å; G499-G1511 PolarHBondContact O-N 2.91Å
1512E44.7Very low49.1Very low144 Ų144123.1 Ų123.167%0.67372%0.722SS**PPolyproline II helixtrans-88.8162-155.2-174.7164.2-111.600120.2P498 P500P498-E1512 CarbonylContact O-C 2.85Å; P500-E1512 HydrophobicContact CB-CB 3.85Å; P500-E1512 HydrophobicContact CB-CG 3.91Å
1513K51.5Low49.7Very low137 Ų137123.1 Ų123.160%0.59672%0.722SS**  trans-78114167.3-70-164.1175.4-176.20113.8I497I497-K1513 HydrophobicContact CB-CG 4.21Å; I497-K1513 HydrophobicContact CD1-CD 4.15Å; I497-K1513 HydrophobicContact CD1-CG 4.23Å; I497-K1513 HydrophobicContact CG2-CB 4.35Å; I497-K1513 HydrophobicContact CG2-CG 3.9Å
1514G50.5Low50.3Low70 Ų70124.4 Ų124.472%0.72272%0.721SS**PPolyproline II helixtrans-75.9163.8179.200000116.6
1515F43Very low50.8Low207 Ų207120.9 Ų120.991%0.90872%0.717SS**PPolyproline II helixtrans-73.1153.8179.1-74-91.3000113.8
1516M54.5Low51.6Low182 Ų182120.4 Ų120.490%0.89771%0.712SS**PPolyproline II helixtrans-60.5138167.5-172.5167.366.200110.3
1517G61.1Low52.2Low58 Ų58115.7 Ų115.760%0.59871%0.709SS**PPolyproline II helixtrans-61.9146-17800000112.4
1518P50.4Low52.3Low128 Ų128116.7 Ų116.783%0.83171%0.713SS**PPolyproline II helixtrans-62.5147.3177.827.6-34.9000111
1519E51.5Low52.3Low190 Ų190116.9 Ų116.989%0.88872%0.715SS**PPolyproline II helixtrans-54.8139.5171.7-168.4177.9176.600110.1
1520G56.4Low52.7Low57 Ų57122.7 Ų122.759%0.58874%0.736SS**PPolyproline II helixtrans-58.7139.9-176.600000111.2K1522G1520-K1522 PolarHBondContact O-N 2.84Å; G1520-K1522 VanDerWaalsContact O-N 3.07Å
1521P52.4Low52.6Low130 Ų130126.7 Ų126.784%0.84475%0.747SS**PPolyproline II helixtrans-57.2120.9-178.323.9-33.6000109.7G1523P1521-G1523 PolarHBondContact O-N 3.04Å
1522K51.6Low52.4Low204 Ų204128.5 Ų128.589%0.88777%0.766SS**  trans-53.1114.2176.7-177.4174.5-176.7172.50108.3G1520G1520-K1522 PolarHBondContact O-N 2.84Å; G1520-K1522 VanDerWaalsContact O-N 3.07Å
1523G54Low52.7Low64 Ų64125.8 Ų125.866%0.6677%0.768SS**  trans-52.7139.1-168.400000112.5P1521 V1525P1521-G1523 PolarHBondContact O-N 3.04Å; G1523-V1525 PolarHBondContact O-N 2.86Å
1524D50.6Low52.3Low163 Ų163124.9 Ų124.987%0.87278%0.777SS**  trans-49.8131.2-175.7-66.3-60.3000111.2G1526D1524-G1526 PolarHBondContact O-N 2.92Å
1525V53.4Low51.9Low138 Ų138124.7 Ų124.784%0.83677%0.774SS**  trans-60.8114.5171.9179.10000107.1G1523G1523-V1525 PolarHBondContact O-N 2.86Å
1526G58.9Low51.8Low52 Ų52117.9 Ų117.954%0.53676%0.763SS.*  trans-51.4144.9-178.800000111.2D1524 V1528D1524-G1526 PolarHBondContact O-N 2.92Å; G1526-V1528 PolarHBondContact O-N 3.21Å
1527P56Low51.2Low127 Ų127117.8 Ų117.883%0.82576%0.764SS**  trans-53.8129.6-171.822.3-33.8000110.4G1529P1527-G1529 PolarHBondContact O-N 3.35Å
1528V56.9Low50.2Low142 Ų142117.2 Ų117.286%0.86176%0.758SS**  trans-54.3115.7174.3178.80000107.3G1526G1526-V1528 PolarHBondContact O-N 3.21Å
1529G51.8Low49.9Very low62 Ų62118.7 Ų118.764%0.63976%0.759SS**  trans-54.7143.5-177.300000110.9P1527 Q1531P1527-G1529 PolarHBondContact O-N 3.35Å; G1529-Q1531 PolarHBondContact O-N 2.91Å
1530E53.4Low49.5Very low193 Ų193114.3 Ų114.390%0.90275%0.745SS**  trans-47.3132.9-174.9-66.8-171.2130.900111.2G1532E1530-G1532 PolarHBondContact O-N 2.8Å
1531Q50Low48.6Very low187 Ų187122.8 Ų122.887%0.87476%0.76SS**  trans-59.7106.6175.6-179.4177.3-8.600108.2G1529 A1533G1529-Q1531 PolarHBondContact O-N 2.91Å; Q1531-A1533 PolarHBondContact O-N 3.09Å
1532G47.6Very low48.2Very low63 Ų63118.6 Ų118.665%0.64974%0.74SS**  trans-48.9133.4-175.800000111.1E1530E1530-G1532 PolarHBondContact O-N 2.8Å
1533A50.4Low48.1Very low87 Ų87112 Ų11272%0.71971%0.714SS**  trans-45.6134.6-169.700000111.5Q1531 G1535Q1531-A1533 PolarHBondContact O-N 3.09Å; A1533-G1535 PolarHBondContact O-N 2.97Å
1534P44.7Very low48.2Very low119 Ų119112.8 Ų112.877%0.77371%0.706SS**  trans-47.7130.3-177.3-2934.6000110.9G1536P1534-G1536 PolarHBondContact O-N 2.91Å
1535G41Very low49.2Very low65 Ų65107 Ų10767%0.6769%0.686SS**  trans-55.5109.1176.100000108.8A1533A1533-G1535 PolarHBondContact O-N 2.97Å
1536G41.6Very low51Low65 Ų65103.4 Ų103.467%0.6766%0.66SS**  trans-53.3143.4175.100000109.3P1534 G1538P1534-G1536 PolarHBondContact O-N 2.91Å; G1536-G1538 PolarHBondContact O-N 3.06Å
1537I42.2Very low52.7Low180 Ų180105 Ų10592%0.92366%0.655SS**  trans-45.9109.8-171.7-63.4174.5000109D1539I1537-D1539 PolarHBondContact O-N 3.38Å; I1537-D1539 VanDerWaalsContact O-N 3.12Å
1538G40Very low54.5Low46 Ų4699.2 Ų99.247%0.47462%0.617SS.*  trans-72.1110.5-166.700000110.4G1536 T1540G1536-G1538 PolarHBondContact O-N 3.06Å; G1538-T1540 PolarHBondContact O-N 3.13Å; G1538-T1540 PolarHBondContact O-OG1 2.95Å
1539D43.4Very low56.4Low159 Ų15992.5 Ų92.585%0.8558%0.577SS**  trans-74.662.4160.4-160.76000108.7I1537I1537-D1539 PolarHBondContact O-N 3.38Å; I1537-D1539 VanDerWaalsContact O-N 3.12Å
1540T42.6Very low58.5Low97 Ų9790.2 Ų90.260%0.59555%0.55SS**  trans-108.225.8-166.149.10000112.4G1538 G1542G1538-T1540 PolarHBondContact O-N 3.13Å; G1538-T1540 PolarHBondContact O-OG1 2.95Å; T1540-G1542 PolarHBondContact O-N 3.44Å
1541R38.1Very low60.5Low236 Ų23681.5 Ų81.589%0.89151%0.509SS*.SBendtrans-69.366.8161.1-80.1-174.7164.3-173.6-5.7110.5
1542G43.4Very low62.6Low42 Ų4273.5 Ų73.543%0.43347%0.474SS..SBendtrans137.54167.800000118.2T1540 T1544T1540-G1542 PolarHBondContact O-N 3.44Å; G1542-T1544 PolarHBondContact O-N 2.91Å
1543N50.1Low64.8Low65 Ų6570.6 Ų70.635%0.34844%0.444SS..  trans-77.291-173.1-151.854.3000112.9G1545 E1651 S1653N1543-G1545 VanDerWaalsContact C-N 3.3Å; N1543-G1545 PolarHBondContact O-N 3.14Å; N1543-E1651 PolarHBondContact ND2-OE1 3.32Å; N1543-S1653 WeakPolarHBondContact OD1-CA 3.37Å; N1543-S1653 WeakPolarHBondContact OD1-CB 3.39Å
1544T55.2Low66.9Low80 Ų8068.4 Ų68.449%0.49142%0.421SS..  trans-71.888.4164.847.50000108.8G1542 H1546 S1653G1542-T1544 PolarHBondContact O-N 2.91Å; T1544-H1546 PolarHBondContact O-CD2 3.1Å; T1544-H1546 PolarHBondContact O-N 2.84Å; T1544-S1653 PolarHBondContact OG1-O 2.92Å
1545G73.3Confident69.2Low43 Ų4365.5 Ų65.544%0.44341%0.407SS..  trans-60.488.7-170.300000113.9N1543N1543-G1545 VanDerWaalsContact C-N 3.3Å; N1543-G1545 PolarHBondContact O-N 3.14Å
1546H90.2Very high71.8Confident62 Ų6272.2 Ų72.229%0.28741%0.412SS..EExtended strand (participates in β ladder)trans-90122.3176.8-75.8-60.2000109.8T1544 A1652 K1655T1544-H1546 PolarHBondContact O-CD2 3.1Å; T1544-H1546 PolarHBondContact O-N 2.84Å; H1546-A1652 PolarHBondContact N-O 2.84Å; H1546-A1652 PolarHBondContact O-N 2.67Å; H1546-K1655 PolarHBondContact CD2-N 3.01Å
1547L93.8Very high74.4Confident85 Ų8573 Ų7345%0.44540%0.4SS..EExtended strand (participates in β ladder)trans-89.4137179.3-53.9-170.3000110.8L1567 P1590 C1650 E1651L1547-L1567 HydrophobicContact CD1-CD1 4.44Å; L1547-L1567 HydrophobicContact CD2-CD1 3.5Å; L1547-P1590 HydrophobicContact CB-CG 3.82Å; L1547-P1590 HydrophobicContact CD1-CG 4.11Å; L1547-C1650 WeakPolarHBondContact CA-O 3.29Å; L1547-E1651 HydrophobicContact CD2-CB 4.28Å; L1547-E1651 HydrophobicContact CD2-CG 4.48Å
1548F94.9Very high76.9Confident5 Ų565.3 Ų65.32%0.02236%0.362CS..EExtended strand (participates in β ladder)trans-143.7150.8170.970.1-77.6000111.1V1550 P1561 T1564 A1588 C1650 A1652 L1656 W1677F1548-V1550 HydrophobicContact CD2-CG2 3.95Å; F1548-V1550 HydrophobicContact CE2-CG2 3.52Å; F1548-P1561 HydrophobicContact CE2-CG 4.22Å; F1548-P1561 HydrophobicContact CZ-CG 4.21Å; F1548-T1564 HydrophobicContact CE1-CG2 3.82Å; F1548-T1564 HydrophobicContact CZ-CG2 3.84Å; F1548-A1588 CarbonylContact C-O 3.58Å; F1548-A1588 VanDerWaalsContact CA-O 3.31Å; F1548-A1588 WeakPolarHBondContact CA-O 3.43Å; F1548-C1650 HydrophobicContact CD1-CB 3.95Å; F1548-C1650 WeakPolarHBondContact CD1-O 3.41Å; F1548-C1650 HydrophobicContact CD2-CB 4.36Å; F1548-C1650 HydrophobicContact CE1-CB 3.38Å; F1548-C1650 HydrophobicContact CE2-CB 3.88Å; F1548-C1650 HydrophobicContact CG-CB 4.41Å; F1548-C1650 HydrophobicContact CZ-CB 3.36Å; F1548-C1650 PolarHBondContact N-O 3.1Å; F1548-C1650 PolarHBondContact O-N 2.85Å; F1548-A1652 HydrophobicContact CD1-CB 3.99Å; F1548-A1652 HydrophobicContact CE1-CB 3.73Å; F1548-L1656 HydrophobicContact CB-CD2 4.05Å; F1548-L1656 HydrophobicContact CD1-CD1 3.77Å; F1548-L1656 HydrophobicContact CD1-CD2 3.79Å; F1548-L1656 HydrophobicContact CD1-CG 4.48Å; F1548-L1656 HydrophobicContact CD2-CD2 3.43Å; F1548-L1656 VanDerWaalsContact CD2-CD2 3.43Å; F1548-L1656 HydrophobicContact CE1-CD1 4.12Å; F1548-L1656 HydrophobicContact CE1-CD2 4.04Å; F1548-L1656 HydrophobicContact CE2-CD2 3.68Å; F1548-L1656 HydrophobicContact CG-CD1 4.17Å; F1548-L1656 HydrophobicContact CG-CD2 3.47Å; F1548-L1656 VanDerWaalsContact CG-CD2 3.47Å; F1548-L1656 HydrophobicContact CG-CG 4.48Å; F1548-L1656 HydrophobicContact CZ-CD2 3.97Å; F1548-W1677 AromaticContact CD2-CH2 3.99Å; F1548-W1677 HydrophobicContact CD2-CH2 3.99Å; F1548-W1677 HydrophobicContact CD2-CZ3 4.25Å; F1548-W1677 HydrophobicContact CE2-CH2 4.03Å; F1548-W1677 AromaticContact CE2-CZ3 3.82Å; F1548-W1677 HydrophobicContact CE2-CZ3 3.82Å
1549T96.3Very high79.6Confident2 Ų268.3 Ų68.31%0.01238%0.376CS..EExtended strand (participates in β ladder)trans-97141.5173.5-59.70000110.7H1551 L1587 A1588 S1589 S1592 C1593 C1647 A1648T1549-H1551 WeakPolarHBondContact CG2-NE2 3.22Å; T1549-L1587 WeakPolarHBondContact CB-O 3.38Å; T1549-A1588 PolarHBondContact N-O 3.1Å; T1549-S1589 VanDerWaalsContact OG1-C 3.29Å; T1549-S1589 PolarHBondContact OG1-O 3.02Å; T1549-S1592 WeakPolarHBondContact CG2-OG 3.41Å; T1549-C1593 HydrophobicContact CG2-CB 3.78Å; T1549-C1647 HydrophobicContact CG2-CB 3.91Å; T1549-A1648 WeakPolarHBondContact CA-O 3.16Å
1550V96.1Very high82Confident13 Ų1362 Ų628%0.07934%0.344CS..EExtended strand (participates in β ladder)trans-111.5130.3164.7-176.40000108.3F1548 P1558 C1647 A1648 W1677F1548-V1550 HydrophobicContact CD2-CG2 3.95Å; F1548-V1550 HydrophobicContact CE2-CG2 3.52Å; V1550-P1558 HydrophobicContact CB-CB 4.41Å; V1550-P1558 HydrophobicContact CB-CG 4.29Å; V1550-P1558 HydrophobicContact CG1-CB 3.84Å; V1550-P1558 HydrophobicContact CG1-CG 4.16Å; V1550-P1558 VanDerWaalsContact O-CG 3.27Å; V1550-P1558 WeakPolarHBondContact O-CG 3.46Å; V1550-C1647 CarbonylContact O-C 3.3Å; V1550-C1647 WeakPolarHBondContact O-CA 3.44Å; V1550-C1647 WeakPolarHBondContact O-CB 3.16Å; V1550-A1648 PolarHBondContact N-O 2.81Å; V1550-A1648 PolarHBondContact O-N 3.29Å; V1550-W1677 HydrophobicContact CG2-CH2 4.14Å; V1550-W1677 HydrophobicContact CG2-CZ3 4.14Å
1551H96.1Very high84.3Confident10 Ų1058.4 Ų58.45%0.04632%0.322CS..EExtended strand (participates in β ladder)trans-105.9134.3174.2-65.2-78.8000110.2T1549 S1572 L1587 S1592 L1623 C1647T1549-H1551 WeakPolarHBondContact CG2-NE2 3.22Å; H1551-S1572 WeakPolarHBondContact ND1-CB 3.43Å; H1551-S1572 PolarHBondContact ND1-OG 2.97Å; H1551-L1587 PolarHBondContact CD2-O 2.81Å; H1551-L1587 WeakPolarHBondContact NE2-CD2 3.2Å; H1551-L1587 PolarHBondContact NE2-O 3.02Å; H1551-S1592 PolarHBondContact CE1-O 2.83Å; H1551-S1592 PolarHBondContact CE1-OG 3.41Å; H1551-S1592 VanDerWaalsContact CE1-OG 3.24Å; H1551-S1592 PolarHBondContact NE2-OG 3.27Å; H1551-L1623 HydrophobicContact CB-CD1 3.84Å; H1551-C1647 WeakPolarHBondContact ND1-CB 3.46Å
1552S94.5Very high86.5Confident19 Ų1952.6 Ų52.613%0.13332%0.317CS..  trans-88.5-17.2-176.5670000114.8T1554 R1556 R1646S1552-T1554 PolarHBondContact O-N 3.37Å; S1552-T1554 VanDerWaalsContact O-N 3.13Å; S1552-T1554 PolarHBondContact OG-N 2.04Å; S1552-T1554 PolarHBondContact OG-O 3.05Å; S1552-T1554 PolarHBondContact OG-OG1 2.85Å; S1552-R1556 WeakPolarHBondContact CB-O 3.29Å; S1552-R1556 PolarHBondContact OG-O 3.01Å; S1552-R1646 PolarHBondContact N-O 2.03Å; S1552-R1646 PolarHBondContact OG-O 3.28Å; S1552-R1646 VanDerWaalsContact OG-O 3.09Å
1553Q93.5Very high88.3Confident3 Ų355.2 Ų55.21%0.01433%0.329CS..SBendtrans5228.1-168.5-59174.9-92.900112.9T1625 S1645 Q1706Q1553-T1625 WeakPolarHBondContact O-CA 3.41Å; Q1553-S1645 WeakPolarHBondContact CA-OG 3.03Å; Q1553-S1645 PolarHBondContact N-OG 3.42Å; Q1553-Q1706 PolarHBondContact NE2-O 2.9Å; Q1553-Q1706 PolarHBondContact OE1-O 3.29Å
1554T93.9Very high90.3Very high41 Ų4153.2 Ų53.225%0.25232%0.319SS..SBendtrans-146.4166.4177.865.30000110.8S1552 R1556 T1625 S1645 R1646S1552-T1554 PolarHBondContact O-N 3.37Å; S1552-T1554 VanDerWaalsContact O-N 3.13Å; S1552-T1554 PolarHBondContact OG-N 2.04Å; S1552-T1554 PolarHBondContact OG-O 3.05Å; S1552-T1554 PolarHBondContact OG-OG1 2.85Å; T1554-R1556 PolarHBondContact O-N 2.92Å; T1554-R1556 VanDerWaalsContact O-N 3.13Å; T1554-R1556 PolarHBondContact OG1-N 3.09Å; T1554-R1556 PolarHBondContact OG1-O 2.89Å; T1554-T1625 VanDerWaalsContact C-CG2 3.41Å; T1554-S1645 CarbonylContact O-C 3.56Å; T1554-S1645 WeakPolarHBondContact O-CA 3.43Å; T1554-R1646 PolarHBondContact O-N 3.09Å
1555A93.1Very high92Very high57 Ų5756.1 Ų56.147%0.47132%0.321SS..SBendtrans-69.7-1.3173.400000113.5T1625 R1646A1555-T1625 HydrophobicContact CB-CG2 4.38Å; A1555-R1646 WeakPolarHBondContact O-CG 3.4Å
1556R95Very high93Very high207 Ų20758.9 Ų58.978%0.78132%0.321SS*.SBendtrans-96.3136.7177.4-61.7-175.5-178.2-170.81.5110.5S1552 T1554S1552-R1556 WeakPolarHBondContact CB-O 3.29Å; S1552-R1556 PolarHBondContact OG-O 3.01Å; T1554-R1556 PolarHBondContact O-N 2.92Å; T1554-R1556 VanDerWaalsContact O-N 3.13Å; T1554-R1556 PolarHBondContact OG1-N 3.09Å; T1554-R1556 PolarHBondContact OG1-O 2.89Å
1557I96.7Very high93.3Very high82 Ų8259 Ų5942%0.42132%0.324SS..PPolyproline II helixtrans-62.6129.9175.1-64.5153.6000109.4D1569 R1646 A1648I1557-D1569 WeakPolarHBondContact CD1-OD2 3.26Å; I1557-D1569 HydrophobicContact CG1-CB 4.25Å; I1557-D1569 WeakPolarHBondContact CG1-OD2 3Å; I1557-D1569 HydrophobicContact CG2-CB 3.53Å; I1557-R1646 HydrophobicContact CG1-CB 4.15Å; I1557-R1646 HydrophobicContact CG1-CG 4.14Å; I1557-A1648 HydrophobicContact CG2-CB 4.49Å
1558P95.4Very high93.5Very high18 Ų1858.3 Ų58.312%0.11732%0.315CS..PPolyproline II helixtrans-74.6145.9174.727.7-27.6000111.3V1550 A1648V1550-P1558 HydrophobicContact CB-CB 4.41Å; V1550-P1558 HydrophobicContact CB-CG 4.29Å; V1550-P1558 HydrophobicContact CG1-CB 3.84Å; V1550-P1558 HydrophobicContact CG1-CG 4.16Å; V1550-P1558 VanDerWaalsContact O-CG 3.27Å; V1550-P1558 WeakPolarHBondContact O-CG 3.46Å; P1558-A1648 HydrophobicContact CG-CB 3.98Å; P1558-A1648 WeakPolarHBondContact O-CB 3.45Å
1559S95.5Very high93.6Very high109 Ų10959.9 Ų59.976%0.76232%0.324SS*.PPolyproline II helixtrans-77.6141.7168.4-60.60000110.6
1560C95Very high93.7Very high26 Ų2659.8 Ų59.818%0.17632%0.323CS..PPolyproline II helixtrans-65.9141168.4-68.70000110.8K1566 C1650C1560-K1566 WeakPolarHBondContact SG-CA 3.31Å; C1560-K1566 VanDerWaalsContact SG-CB 3.57Å; C1560-C1650 VanDerWaalsContact CA-SG 3.51Å; C1560-C1650 HydrophobicContact CB-CB 3.86Å; C1560-C1650 WeakPolarHBondContact CB-SG 3.25Å; C1560-C1650 WeakPolarHBondContact SG-CB 3.43Å; C1560-C1650 CovalentContact SG-SG 2.03Å; C1560-C1650 PolarHBondContact SG-SG 3.28Å
1561P90.6Very high93.7Very high22 Ų2260.6 Ų60.614%0.14333%0.325CS..PPolyproline II helixtrans-54.6153.2174.4-27.934.5000113.9F1548 T1564 L1676 W1677F1548-P1561 HydrophobicContact CE2-CG 4.22Å; F1548-P1561 HydrophobicContact CZ-CG 4.21Å; P1561-T1564 WeakPolarHBondContact O-CB 3.4Å; P1561-T1564 PolarHBondContact O-N 2.88Å; P1561-T1564 PolarHBondContact O-OG1 3.14Å; P1561-L1676 HydrophobicContact CB-CB 4.25Å; P1561-L1676 HydrophobicContact CB-CD1 4.35Å; P1561-L1676 HydrophobicContact CB-CD2 3.99Å; P1561-L1676 HydrophobicContact CB-CG 4.43Å; P1561-L1676 HydrophobicContact CG-CB 4.2Å; P1561-L1676 HydrophobicContact CG-CD1 4.32Å; P1561-W1677 HydrophobicContact CG-CE3 4.12Å; P1561-W1677 HydrophobicContact CG-CZ3 4.06Å
1562S83.9Confident93.7Very high113 Ų11360.1 Ų60.179%0.7932%0.323SS*.THydrogen-bonded Turntrans-52.4144.2173.8-53.60000111.8T1564S1562-T1564 PolarHBondContact O-N 3.21Å
1563S81.9Confident93.8Very high97 Ų9759.6 Ų59.668%0.67832%0.318SS*.THydrogen-bonded Turntrans63.714.3-170.3700000116.4M1768S1563-M1768 WeakPolarHBondContact OG-CE 3.36Å
1564T90.7Very high93.8Very high23 Ų2359.5 Ų59.514%0.14132%0.318CS..  trans-125.9155.7169.9750000111F1548 P1561 S1562 E1651 A1652 M1768F1548-T1564 HydrophobicContact CE1-CG2 3.82Å; F1548-T1564 HydrophobicContact CZ-CG2 3.84Å; P1561-T1564 WeakPolarHBondContact O-CB 3.4Å; P1561-T1564 PolarHBondContact O-N 2.88Å; P1561-T1564 PolarHBondContact O-OG1 3.14Å; S1562-T1564 PolarHBondContact O-N 3.21Å; T1564-E1651 CarbonylContact C-O 3.6Å; T1564-E1651 VanDerWaalsContact CA-O 3.24Å; T1564-E1651 WeakPolarHBondContact CA-O 3Å; T1564-E1651 VanDerWaalsContact CB-O 3.28Å; T1564-E1651 WeakPolarHBondContact CB-O 3.29Å; T1564-A1652 HydrophobicContact CG2-CB 4Å; T1564-M1768 HydrophobicContact CG2-CE 4.34Å; T1564-M1768 HydrophobicContact CG2-SD 4.06Å
1565R91.8Very high93.8Very high141 Ų14157.6 Ų57.653%0.53231%0.306SS..EExtended strand (participates in β ladder)trans-116.2129.2-172.1172.4-175.6175.8-139.36111.6C1650 E1651R1565-C1650 CarbonylContact O-C 3.53Å; R1565-C1650 VanDerWaalsContact O-CA 3.28Å; R1565-C1650 WeakPolarHBondContact O-CA 3.21Å; R1565-E1651 HydrophobicContact CB-CB 4.33Å; R1565-E1651 PolarHBondContact N-O 2.85Å; R1565-E1651 IonicContact NH1-OE2 2.67Å; R1565-E1651 PolarHBondContact NH1-OE2 2.89Å; R1565-E1651 PolarHBondContact O-N 2.92Å
1566K95.2Very high93.7Very high101 Ų10157 Ų5744%0.43929%0.294SS..EExtended strand (participates in β ladder)trans-67.6132.8173-164.3-175.773.9165.70111C1560 D1569 A1648C1560-K1566 WeakPolarHBondContact SG-CA 3.31Å; C1560-K1566 VanDerWaalsContact SG-CB 3.57Å; K1566-D1569 HydrophobicContact CD-CB 4.42Å; K1566-D1569 IonicContact NZ-OD1 2.78Å; K1566-D1569 PolarHBondContact NZ-OD1 3.45Å; K1566-A1648 HydrophobicContact CD-CB 4.23Å; K1566-A1648 HydrophobicContact CG-CB 4.31Å
1567L95.7Very high93.5Very high66 Ų6647.4 Ų47.435%0.34626%0.258SS..EExtended strand (participates in β ladder)trans-99.7-53.1170.9-58.4-175.5000111.3L1547 V1649 E1651L1547-L1567 HydrophobicContact CD1-CD1 4.44Å; L1547-L1567 HydrophobicContact CD2-CD1 3.5Å; L1567-V1649 PolarHBondContact N-O 3.42Å; L1567-E1651 HydrophobicContact CD1-CB 4.29Å; L1567-E1651 HydrophobicContact CD2-CB 4.15Å; L1567-E1651 HydrophobicContact CG-CB 4.22Å
1568W97.1Very high93.1Very high70 Ų7044.6 Ų44.627%0.26525%0.25SC..EExtended strand (participates in β ladder)trans-148.5174171.870.293.3000111.7P1590 C1593 Q1595 A1648 V1649W1568-P1590 HydrophobicContact CH2-CB 3.77Å; W1568-P1590 HydrophobicContact CZ2-CB 3.81Å; W1568-C1593 PolarHBondContact NE1-O 2.91Å; W1568-Q1595 VanDerWaalsContact CD1-CG 3.49Å; W1568-Q1595 HydrophobicContact CG-CG 4.14Å; W1568-A1648 WeakPolarHBondContact O-CA 3.34Å; W1568-V1649 HydrophobicContact CD2-CB 3.92Å; W1568-V1649 HydrophobicContact CD2-CG2 4.02Å; W1568-V1649 VanDerWaalsContact CE2-CG2 3.42Å; W1568-V1649 HydrophobicContact CE3-CB 4.11Å; W1568-V1649 HydrophobicContact CE3-CG1 4.39Å; W1568-V1649 HydrophobicContact CH2-CB 4.16Å; W1568-V1649 HydrophobicContact CH2-CG1 3.86Å; W1568-V1649 HydrophobicContact CH2-CG2 4.2Å; W1568-V1649 HydrophobicContact CZ2-CB 3.97Å; W1568-V1649 HydrophobicContact CZ2-CG1 4.09Å; W1568-V1649 HydrophobicContact CZ2-CG2 3.56Å; W1568-V1649 HydrophobicContact CZ3-CB 4.21Å; W1568-V1649 HydrophobicContact CZ3-CG1 4.01Å; W1568-V1649 PolarHBondContact O-N 3.04Å
1569D97.8Very high92.6Very high37 Ų3746.3 Ų46.320%0.19826%0.262CS..EExtended strand (participates in β ladder)trans-132.1162.1167.761.3-96.7000111.5I1557 K1566 R1646 C1647 A1648I1557-D1569 WeakPolarHBondContact CD1-OD2 3.26Å; I1557-D1569 HydrophobicContact CG1-CB 4.25Å; I1557-D1569 WeakPolarHBondContact CG1-OD2 3Å; I1557-D1569 HydrophobicContact CG2-CB 3.53Å; K1566-D1569 HydrophobicContact CD-CB 4.42Å; K1566-D1569 IonicContact NZ-OD1 2.78Å; K1566-D1569 PolarHBondContact NZ-OD1 3.45Å; D1569-R1646 IonicContact OD2-CZ 3.66Å; D1569-R1646 IonicContact OD2-NH2 3.66Å; D1569-R1646 PolarHBondContact OD2-NH2 3.01Å; D1569-C1647 VanDerWaalsContact CA-O 3.26Å; D1569-C1647 WeakPolarHBondContact CA-O 3.42Å; D1569-C1647 WeakPolarHBondContact CB-O 3.31Å; D1569-A1648 HydrophobicContact CB-CB 4.26Å
1570G97.3Very high92Very high0 Ų045 Ų450%025%0.247CC..EExtended strand (participates in β ladder)trans-169.3-160.5-167.100000112.9L1594 R1646 C1647G1570-L1594 CarbonylContact C-O 3.3Å; G1570-L1594 VanDerWaalsContact CA-O 3.29Å; G1570-L1594 WeakPolarHBondContact CA-O 3.46Å; G1570-R1646 VanDerWaalsContact C-CZ 3.45Å; G1570-R1646 CarbonylContact O-C 3.58Å; G1570-R1646 VanDerWaalsContact O-CA 3.25Å; G1570-R1646 WeakPolarHBondContact O-CA 3.16Å; G1570-R1646 WeakPolarHBondContact O-CD 3.5Å; G1570-R1646 PolarHBondContact O-NE 2.82Å; G1570-R1646 VanDerWaalsContact O-NE 3.14Å; G1570-R1646 PolarHBondContact O-NH1 2.9Å; G1570-C1647 PolarHBondContact N-O 2.03Å; G1570-C1647 PolarHBondContact O-N 2.83Å; G1570-C1647 PolarHBondContact O-SG 2.86Å; G1570-C1647 VanDerWaalsContact O-SG 3.37Å
1571Y97.2Very high91.6Very high31 Ų3151.3 Ų51.312%0.12227%0.267CS..EExtended strand (participates in β ladder)trans-108.4140.1178.5-60.7-83.7000110.5F1573 L1594 F1597 Q1641 I1644 R1646 C1647Y1571-F1573 PolarHBondContact O-N 2.8Å; Y1571-L1594 PolarHBondContact N-O 3.13Å; Y1571-L1594 PolarHBondContact O-N 2.97Å; Y1571-F1597 HydrophobicContact CD1-CB 4.07Å; Y1571-F1597 HydrophobicContact CD2-CB 3.48Å; Y1571-F1597 VanDerWaalsContact CD2-CB 3.48Å; Y1571-F1597 HydrophobicContact CE1-CB 4.18Å; Y1571-F1597 HydrophobicContact CE2-CB 3.59Å; Y1571-F1597 HydrophobicContact CG-CB 3.71Å; Y1571-Q1641 HydrophobicContact CE1-CG 4.1Å; Y1571-Q1641 PolarHBondContact OH-NE2 2.68Å; Y1571-I1644 HydrophobicContact CD1-CB 4.23Å; Y1571-I1644 HydrophobicContact CD1-CG2 3.73Å; Y1571-I1644 HydrophobicContact CG-CG2 4.26Å; Y1571-R1646 VanDerWaalsContact CE1-NH1 3.32Å; Y1571-C1647 VanDerWaalsContact C-SG 3.5Å
1572S96.8Very high91.5Very high0 Ų051.2 Ų51.20%027%0.268CS..EExtended strand (participates in β ladder)trans-75.888.3-172.2-60.50000112.6H1551 S1592 W1622 L1623 S1645 R1646H1551-S1572 WeakPolarHBondContact ND1-CB 3.43Å; H1551-S1572 PolarHBondContact ND1-OG 2.97Å; S1572-S1592 CarbonylContact C-O 3.5Å; S1572-S1592 WeakPolarHBondContact CA-O 3.29Å; S1572-W1622 CarbonylContact O-C 3.59Å; S1572-W1622 VanDerWaalsContact O-CA 3.24Å; S1572-W1622 WeakPolarHBondContact O-CA 3.25Å; S1572-L1623 PolarHBondContact O-N 3.11Å; S1572-S1645 WeakPolarHBondContact CB-O 3.37Å; S1572-S1645 PolarHBondContact N-O 3.18Å; S1572-S1645 VanDerWaalsContact OG-CB 3.31Å; S1572-S1645 WeakPolarHBondContact OG-CB 3.28Å; S1572-S1645 PolarHBondContact OG-O 3.08Å; S1572-S1645 VanDerWaalsContact OG-O 3.1Å; S1572-S1645 PolarHBondContact OG-OG 2.83Å; S1572-R1646 PolarHBondContact OG-O 2.94Å; S1572-R1646 VanDerWaalsContact OG-O 3.1Å
1573F95.9Very high91.9Very high8 Ų851.4 Ų51.44%0.03526%0.256CS..EExtended strand (participates in β ladder)trans-83.9117.2178.8-179.6-129.3000111.1Y1571 S1575 M1576 N1585 S1592 L1594 P1601 W1622Y1571-F1573 PolarHBondContact O-N 2.8Å; F1573-S1575 WeakPolarHBondContact CE2-O 3.36Å; F1573-M1576 HydrophobicContact CE1-CE 3.84Å; F1573-M1576 HydrophobicContact CE2-CB 4.46Å; F1573-M1576 HydrophobicContact CZ-CB 3.94Å; F1573-M1576 HydrophobicContact CZ-CE 3.59Å; F1573-M1576 HydrophobicContact CZ-CG 4.18Å; F1573-N1585 WeakPolarHBondContact CD1-ND2 3.12Å; F1573-N1585 WeakPolarHBondContact CE1-ND2 3Å; F1573-S1592 PolarHBondContact N-O 2.84Å; F1573-S1592 VanDerWaalsContact O-CA 3.29Å; F1573-S1592 WeakPolarHBondContact O-CA 3.17Å; F1573-S1592 WeakPolarHBondContact O-CB 3.27Å; F1573-L1594 HydrophobicContact CB-CD1 3.82Å; F1573-L1594 HydrophobicContact CB-CG 3.87Å; F1573-L1594 HydrophobicContact CD1-CD1 3.53Å; F1573-L1594 HydrophobicContact CD1-CG 3.98Å; F1573-L1594 HydrophobicContact CD2-CD1 4.36Å; F1573-L1594 HydrophobicContact CE1-CD1 4.22Å; F1573-L1594 HydrophobicContact CG-CD1 3.64Å; F1573-L1594 HydrophobicContact CG-CG 4.15Å; F1573-P1601 HydrophobicContact CD2-CG 4.42Å; F1573-P1601 HydrophobicContact CE2-CG 4Å; F1573-P1601 HydrophobicContact CZ-CG 4.18Å; F1573-W1622 HydrophobicContact CB-CE3 3.89Å; F1573-W1622 HydrophobicContact CB-CH2 4.12Å; F1573-W1622 HydrophobicContact CB-CZ3 3.66Å; F1573-W1622 HydrophobicContact CD2-CD2 4.18Å; F1573-W1622 AromaticContact CD2-CE2 3.97Å; F1573-W1622 HydrophobicContact CD2-CE3 4.36Å; F1573-W1622 HydrophobicContact CD2-CH2 4.18Å; F1573-W1622 AromaticContact CD2-CZ2 3.97Å; F1573-W1622 HydrophobicContact CD2-CZ2 3.97Å; F1573-W1622 HydrophobicContact CD2-CZ3 4.35Å; F1573-W1622 HydrophobicContact CG-CH2 4.36Å; F1573-W1622 HydrophobicContact CG-CZ3 4.35Å
1574L94.1Very high92.4Very high0 Ų048.3 Ų48.30%023%0.233CC..EExtended strand (participates in β ladder)trans-94.2-52.7-174.6175.761.1000111.7N1585 L1587 Y1621 L1623 N1685 M1711 F1712L1574-N1585 PolarHBondContact O-N 2.83Å; L1574-L1587 HydrophobicContact CD1-CD1 4.01Å; L1574-L1587 HydrophobicContact CD1-CD2 3.89Å; L1574-L1587 HydrophobicContact CD1-CG 4.07Å; L1574-Y1621 WeakPolarHBondContact CB-O 3.39Å; L1574-Y1621 PolarHBondContact N-O 3.38Å; L1574-L1623 HydrophobicContact CD2-CD2 4.21Å; L1574-N1685 WeakPolarHBondContact CD2-ND2 3.48Å; L1574-M1711 HydrophobicContact CD2-CE 4.25Å; L1574-F1712 HydrophobicContact CD2-CB 3.54Å; L1574-F1712 HydrophobicContact CD2-CD1 4.16Å; L1574-F1712 HydrophobicContact CD2-CG 3.93Å
1575S92.2Very high92.4Very high1 Ų148.4 Ų48.41%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-160.7163.2-178.458.50000113.2F1573 H1583 S1620 Y1621F1573-S1575 WeakPolarHBondContact CE2-O 3.36Å; S1575-H1583 CarbonylContact C-O 3.41Å; S1575-H1583 VanDerWaalsContact CA-O 3.23Å; S1575-H1583 WeakPolarHBondContact CA-O 3.3Å; S1575-H1583 WeakPolarHBondContact CB-O 3.18Å; S1575-S1620 CarbonylContact O-C 3.56Å; S1575-Y1621 PolarHBondContact N-O 2.66Å; S1575-Y1621 PolarHBondContact O-N 2.84Å; S1575-Y1621 WeakPolarHBondContact OG-CB 3.39Å; S1575-Y1621 WeakPolarHBondContact OG-CD2 3.13Å
1576M91.7Very high92.6Very high46 Ų4643.3 Ų43.323%0.22722%0.216CC..EExtended strand (participates in β ladder)trans-121150.2166.551.917777.200110.2F1573 A1582 H1583 F1602 R1619F1573-M1576 HydrophobicContact CE1-CE 3.84Å; F1573-M1576 HydrophobicContact CE2-CB 4.46Å; F1573-M1576 HydrophobicContact CZ-CB 3.94Å; F1573-M1576 HydrophobicContact CZ-CE 3.59Å; F1573-M1576 HydrophobicContact CZ-CG 4.18Å; M1576-A1582 CarbonylContact O-C 3.56Å; M1576-A1582 VanDerWaalsContact O-CA 3.3Å; M1576-A1582 WeakPolarHBondContact O-CA 3.22Å; M1576-H1583 HydrophobicContact CG-CB 4.05Å; M1576-H1583 PolarHBondContact N-O 3.39Å; M1576-H1583 PolarHBondContact O-N 3.35Å; M1576-F1602 HydrophobicContact CB-CD1 3.92Å; M1576-F1602 HydrophobicContact CB-CE1 3.38Å; M1576-F1602 HydrophobicContact CB-CZ 3.9Å; M1576-F1602 HydrophobicContact CE-CB 4.07Å; M1576-F1602 HydrophobicContact CE-CD1 3.69Å; M1576-F1602 HydrophobicContact CE-CE1 4.4Å; M1576-F1602 HydrophobicContact CE-CG 4.06Å; M1576-F1602 HydrophobicContact CG-CD1 4.48Å; M1576-F1602 HydrophobicContact CG-CE1 4.31Å; M1576-F1602 HydrophobicContact SD-CB 4.35Å; M1576-F1602 HydrophobicContact SD-CD1 3.78Å; M1576-F1602 HydrophobicContact SD-CD2 4.39Å; M1576-F1602 HydrophobicContact SD-CE1 4.12Å; M1576-F1602 HydrophobicContact SD-CG 3.93Å; M1576-R1619 WeakPolarHBondContact CA-O 3.26Å
1577T91.7Very high92.7Very high4 Ų438.5 Ų38.53%0.02520%0.195CC..EExtended strand (participates in β ladder)trans-117.4103.2163.8-61.60000107.4R1581 R1619 Q1691T1577-R1581 WeakPolarHBondContact CA-O 3.46Å; T1577-R1619 PolarHBondContact N-O 2.99Å; T1577-R1619 PolarHBondContact O-N 3.16Å; T1577-Q1691 HydrophobicContact CG2-CB 4.38Å; T1577-Q1691 HydrophobicContact CG2-CG 4.37Å
1578G87.9Confident92.6Very high24 Ų2435.9 Ų35.925%0.24718%0.183CC..EExtended strand (participates in β ladder)trans-111.7130.3177.700000109.6D1580 R1581 D1618G1578-D1580 PolarHBondContact O-N 3.12Å; G1578-R1581 PolarHBondContact N-O 2.89Å; G1578-R1581 VanDerWaalsContact N-O 3.15Å; G1578-R1581 PolarHBondContact O-N 2.81Å; G1578-D1618 WeakPolarHBondContact CA-OD1 3.46Å
1579S85.4Confident92.5Very high54 Ų5434.3 Ų34.338%0.37818%0.183SC..THydrogen-bonded Turntrans48.841.2-172.1-630000113.8R1581 R1616 D1618S1579-R1581 PolarHBondContact O-N 2.85Å; S1579-R1581 VanDerWaalsContact O-N 3.13Å; S1579-R1616 PolarHBondContact OG-NH1 3.38Å; S1579-D1618 PolarHBondContact N-OD1 2.6Å
1580D81.8Confident92.5Very high82 Ų8234.5 Ų34.544%0.43919%0.186SC..THydrogen-bonded Turntrans66.27.7176-49.2-78.4000115.4G1578 R1616 Q1691G1578-D1580 PolarHBondContact O-N 3.12Å; D1580-R1616 IonicContact OD2-CZ 3.53Å; D1580-R1616 IonicContact OD2-NH2 3.46Å; D1580-R1616 PolarHBondContact OD2-NH2 2.88Å; D1580-Q1691 VanDerWaalsContact O-CD 3.23Å; D1580-Q1691 WeakPolarHBondContact O-CG 3.36Å
1581R86.7Confident92.3Very high157 Ų15736.1 Ų36.159%0.59220%0.203SC*.EExtended strand (participates in β ladder)trans-104.5127.3169.6-171.7176.1-172.5168.15.1110.2D1068 T1577 G1578 S1579D1068-R1581 IonicContact OD1-NH2 2.63Å; D1068-R1581 PolarHBondContact OD1-NH2 3.29Å; D1068-R1581 IonicContact OD2-CZ 3.97Å; D1068-R1581 VanDerWaalsContact OD2-CZ 3.25Å; D1068-R1581 IonicContact OD2-NH1 2.6Å; D1068-R1581 PolarHBondContact OD2-NH1 2.8Å; D1068-R1581 IonicContact OD2-NH2 2.73Å; D1068-R1581 PolarHBondContact OD2-NH2 3.08Å; T1577-R1581 WeakPolarHBondContact CA-O 3.46Å; G1578-R1581 PolarHBondContact N-O 2.89Å; G1578-R1581 VanDerWaalsContact N-O 3.15Å; G1578-R1581 PolarHBondContact O-N 2.81Å; S1579-R1581 PolarHBondContact O-N 2.85Å; S1579-R1581 VanDerWaalsContact O-N 3.13Å
1582A89.4Confident92.3Very high20 Ų2034.7 Ų34.717%0.16520%0.197CC..EExtended strand (participates in β ladder)trans-74.5144.417200000112.9M1576 Q1691M1576-A1582 CarbonylContact O-C 3.56Å; M1576-A1582 VanDerWaalsContact O-CA 3.3Å; M1576-A1582 WeakPolarHBondContact O-CA 3.22Å; A1582-Q1691 HydrophobicContact CB-CB 3.95Å
1583H91.7Very high92.4Very high117 Ų11734.8 Ų34.854%0.54220%0.198SC..EExtended strand (participates in β ladder)trans-129.1127.2162.3-175.277.3000108.5S1575 M1576S1575-H1583 CarbonylContact C-O 3.41Å; S1575-H1583 VanDerWaalsContact CA-O 3.23Å; S1575-H1583 WeakPolarHBondContact CA-O 3.3Å; S1575-H1583 WeakPolarHBondContact CB-O 3.18Å; M1576-H1583 HydrophobicContact CG-CB 4.05Å; M1576-H1583 PolarHBondContact N-O 3.39Å; M1576-H1583 PolarHBondContact O-N 3.35Å
1584V91.3Very high92.4Very high33 Ų3337 Ų3720%0.221%0.209CC..EExtended strand (participates in β ladder)trans-120.5133.1-169.7-175.50000110.1G1692V1584-G1692 WeakPolarHBondContact CG2-O 3.48Å
1585N92.7Very high92.5Very high24 Ų2442.8 Ų42.813%0.12824%0.237CC..  trans-83.6142.6172.6-69.7-58.8000110.7F1573 L1574 L1587 Q1695F1573-N1585 WeakPolarHBondContact CD1-ND2 3.12Å; F1573-N1585 WeakPolarHBondContact CE1-ND2 3Å; L1574-N1585 PolarHBondContact O-N 2.83Å; N1585-L1587 PolarHBondContact O-N 3.23Å; N1585-Q1695 PolarHBondContact O-NE2 2.95Å
1586D95.4Very high92.6Very high34 Ų3449.6 Ų49.618%0.18227%0.272CS..  trans-68.5128.2158-169.4-61.9000108.4A1588 S1589 S1699D1586-A1588 PolarHBondContact O-N 3.41Å; D1586-A1588 WeakPolarHBondContact OD1-CB 3.27Å; D1586-A1588 PolarHBondContact OD1-N 2.92Å; D1586-S1589 VanDerWaalsContact O-CB 3.22Å; D1586-S1589 WeakPolarHBondContact O-CB 3.34Å; D1586-S1589 PolarHBondContact O-N 3.21Å; D1586-S1589 PolarHBondContact O-OG 2.89Å; D1586-S1699 VanDerWaalsContact CG-OG 3.24Å; D1586-S1699 WeakPolarHBondContact OD1-CB 3.36Å; D1586-S1699 PolarHBondContact OD1-OG 3.33Å; D1586-S1699 WeakPolarHBondContact OD2-CB 3.12Å; D1586-S1699 PolarHBondContact OD2-OG 2.87Å
1587L96.2Very high92.7Very high1 Ų149.3 Ų49.31%0.00527%0.27CS..THydrogen-bonded Turntrans-73.9-6.7-175.6-67.9170.5000113.2T1549 H1551 L1574 N1585 S1592 L1623 F1682 Q1695 L1704T1549-L1587 WeakPolarHBondContact CB-O 3.38Å; H1551-L1587 PolarHBondContact CD2-O 2.81Å; H1551-L1587 WeakPolarHBondContact NE2-CD2 3.2Å; H1551-L1587 PolarHBondContact NE2-O 3.02Å; L1574-L1587 HydrophobicContact CD1-CD1 4.01Å; L1574-L1587 HydrophobicContact CD1-CD2 3.89Å; L1574-L1587 HydrophobicContact CD1-CG 4.07Å; N1585-L1587 PolarHBondContact O-N 3.23Å; L1587-S1592 PolarHBondContact O-OG 2.86Å; L1587-L1623 HydrophobicContact CD1-CD1 4.07Å; L1587-L1623 HydrophobicContact CD1-CD2 4.32Å; L1587-L1623 HydrophobicContact CD2-CD1 3.83Å; L1587-L1623 HydrophobicContact CD2-CG 4.19Å; L1587-F1682 HydrophobicContact CD1-CD1 4.03Å; L1587-F1682 HydrophobicContact CD1-CE1 3.85Å; L1587-Q1695 HydrophobicContact CD1-CG 4.33Å; L1587-L1704 HydrophobicContact CD1-CD2 4.25Å
1588A95.2Very high92.7Very high11 Ų1151.5 Ų51.59%0.09128%0.281CS..THydrogen-bonded Turntrans-87-15.7161.800000112.8F1548 T1549 D1586 S1699 P1700F1548-A1588 CarbonylContact C-O 3.58Å; F1548-A1588 VanDerWaalsContact CA-O 3.31Å; F1548-A1588 WeakPolarHBondContact CA-O 3.43Å; T1549-A1588 PolarHBondContact N-O 3.1Å; D1586-A1588 PolarHBondContact O-N 3.41Å; D1586-A1588 WeakPolarHBondContact OD1-CB 3.27Å; D1586-A1588 PolarHBondContact OD1-N 2.92Å; A1588-S1699 WeakPolarHBondContact CB-OG 3Å; A1588-P1700 HydrophobicContact CB-CB 3.81Å; A1588-P1700 HydrophobicContact CB-CG 3.96Å
1589S94.9Very high93Very high36 Ų3651 Ų5125%0.25227%0.274SS..SBendtrans-73.2146.6-176.977.20000111.4T1549 D1586 G1591 S1592T1549-S1589 VanDerWaalsContact OG1-C 3.29Å; T1549-S1589 PolarHBondContact OG1-O 3.02Å; D1586-S1589 VanDerWaalsContact O-CB 3.22Å; D1586-S1589 WeakPolarHBondContact O-CB 3.34Å; D1586-S1589 PolarHBondContact O-N 3.21Å; D1586-S1589 PolarHBondContact O-OG 2.89Å; S1589-G1591 PolarHBondContact O-N 2.87Å; S1589-G1591 VanDerWaalsContact O-N 3.1Å; S1589-G1591 PolarHBondContact OG-N 2.8Å; S1589-S1592 PolarHBondContact O-N 2.8Å; S1589-S1592 VanDerWaalsContact O-N 3.11Å; S1589-S1592 PolarHBondContact O-OG 3.28Å
1590P96Very high93.5Very high42 Ų4248.6 Ų48.627%0.27326%0.257SS..G310 helixtrans-58.1-22.7172.1-2736.4000114.2L1547 W1568 S1592 C1593 V1649L1547-P1590 HydrophobicContact CB-CG 3.82Å; L1547-P1590 HydrophobicContact CD1-CG 4.11Å; W1568-P1590 HydrophobicContact CH2-CB 3.77Å; W1568-P1590 HydrophobicContact CZ2-CB 3.81Å; P1590-S1592 VanDerWaalsContact C-N 3.27Å; P1590-S1592 PolarHBondContact O-N 3.02Å; P1590-C1593 PolarHBondContact O-N 3.05Å; P1590-C1593 VanDerWaalsContact O-N 3.11Å; P1590-V1649 HydrophobicContact CB-CG1 4.12Å; P1590-V1649 HydrophobicContact CB-CG2 4.45Å; P1590-V1649 HydrophobicContact CG-CG1 4.11Å
1591G94.7Very high94Very high34 Ų3446.7 Ų46.735%0.35125%0.249SC..G310 helixtrans-67.8-21.2176.900000114.4S1589 C1593S1589-G1591 PolarHBondContact O-N 2.87Å; S1589-G1591 VanDerWaalsContact O-N 3.1Å; S1589-G1591 PolarHBondContact OG-N 2.8Å; G1591-C1593 PolarHBondContact O-N 2.84Å
1592S96.8Very high94.3Very high0 Ų040.8 Ų40.80%023%0.228CC..G310 helixtrans-75.4-6.3171.271.50000113.5T1549 H1551 S1572 F1573 L1587 S1589 P1590T1549-S1592 WeakPolarHBondContact CG2-OG 3.41Å; H1551-S1592 PolarHBondContact CE1-O 2.83Å; H1551-S1592 PolarHBondContact CE1-OG 3.41Å; H1551-S1592 VanDerWaalsContact CE1-OG 3.24Å; H1551-S1592 PolarHBondContact NE2-OG 3.27Å; S1572-S1592 CarbonylContact C-O 3.5Å; S1572-S1592 WeakPolarHBondContact CA-O 3.29Å; F1573-S1592 PolarHBondContact N-O 2.84Å; F1573-S1592 VanDerWaalsContact O-CA 3.29Å; F1573-S1592 WeakPolarHBondContact O-CA 3.17Å; F1573-S1592 WeakPolarHBondContact O-CB 3.27Å; L1587-S1592 PolarHBondContact O-OG 2.86Å; S1589-S1592 PolarHBondContact O-N 2.8Å; S1589-S1592 VanDerWaalsContact O-N 3.11Å; S1589-S1592 PolarHBondContact O-OG 3.28Å; P1590-S1592 VanDerWaalsContact C-N 3.27Å; P1590-S1592 PolarHBondContact O-N 3.02Å
1593C97.8Very high94.5Very high2 Ų245.1 Ų45.11%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-12074.3-175.7-161.50000113.3T1549 W1568 P1590 G1591 C1647 V1649T1549-C1593 HydrophobicContact CG2-CB 3.78Å; W1568-C1593 PolarHBondContact NE1-O 2.91Å; P1590-C1593 PolarHBondContact O-N 3.05Å; P1590-C1593 VanDerWaalsContact O-N 3.11Å; G1591-C1593 PolarHBondContact O-N 2.84Å; C1593-C1647 WeakPolarHBondContact CA-SG 3.07Å; C1593-C1647 HydrophobicContact CB-CB 3.94Å; C1593-C1647 WeakPolarHBondContact CB-SG 3.18Å; C1593-C1647 WeakPolarHBondContact SG-CB 3.39Å; C1593-C1647 CovalentContact SG-SG 2.04Å; C1593-C1647 PolarHBondContact SG-SG 2.93Å; C1593-V1649 HydrophobicContact CB-CG2 3.5Å
1594L97Very high94.4Very high54 Ų5441.6 Ų41.628%0.28323%0.229SC..EExtended strand (participates in β ladder)trans-74124.7178.3-60.6-176.4000110.5G1570 Y1571 F1573 L1596 P1601 W1622G1570-L1594 CarbonylContact C-O 3.3Å; G1570-L1594 VanDerWaalsContact CA-O 3.29Å; G1570-L1594 WeakPolarHBondContact CA-O 3.46Å; Y1571-L1594 PolarHBondContact N-O 3.13Å; Y1571-L1594 PolarHBondContact O-N 2.97Å; F1573-L1594 HydrophobicContact CB-CD1 3.82Å; F1573-L1594 HydrophobicContact CB-CG 3.87Å; F1573-L1594 HydrophobicContact CD1-CD1 3.53Å; F1573-L1594 HydrophobicContact CD1-CG 3.98Å; F1573-L1594 HydrophobicContact CD2-CD1 4.36Å; F1573-L1594 HydrophobicContact CE1-CD1 4.22Å; F1573-L1594 HydrophobicContact CG-CD1 3.64Å; F1573-L1594 HydrophobicContact CG-CG 4.15Å; L1594-L1596 PolarHBondContact O-N 3.21Å; L1594-P1601 HydrophobicContact CD1-CB 3.91Å; L1594-P1601 HydrophobicContact CD1-CG 4.13Å; L1594-W1622 HydrophobicContact CB-CH2 4.36Å; L1594-W1622 HydrophobicContact CB-CZ3 4.4Å; L1594-W1622 HydrophobicContact CD1-CH2 3.84Å; L1594-W1622 HydrophobicContact CD1-CZ3 4.4Å
1595Q95.9Very high94.4Very high122 Ų12243.8 Ų43.857%0.5724%0.244SC*.SBendtrans-59.7-35.4-178-67.3175.83.600112.5W1568W1568-Q1595 VanDerWaalsContact CD1-CG 3.49Å; W1568-Q1595 HydrophobicContact CG-CG 4.14Å
1596L93.4Very high94.1Very high144 Ų14447.2 Ų47.275%0.75426%0.26SS*.SBendtrans-108.6138178.4-59.5176.5000110.8L1594L1594-L1596 PolarHBondContact O-N 3.21Å
1597F94.1Very high93.7Very high41 Ų4154 Ų5418%0.1829%0.288CS..  trans-88.2137.1169.8170.5-106.6000109.8Y1571 P1599 W1622 T1640 I1644Y1571-F1597 HydrophobicContact CD1-CB 4.07Å; Y1571-F1597 HydrophobicContact CD2-CB 3.48Å; Y1571-F1597 VanDerWaalsContact CD2-CB 3.48Å; Y1571-F1597 HydrophobicContact CE1-CB 4.18Å; Y1571-F1597 HydrophobicContact CE2-CB 3.59Å; Y1571-F1597 HydrophobicContact CG-CB 3.71Å; F1597-P1599 HydrophobicContact CE1-CG 4.3Å; F1597-P1599 HydrophobicContact CZ-CG 4.33Å; F1597-W1622 AromaticContact CD2-CD2 3.84Å; F1597-W1622 HydrophobicContact CD2-CD2 3.84Å; F1597-W1622 AromaticContact CD2-CE2 3.71Å; F1597-W1622 AromaticContact CD2-CE3 4Å; F1597-W1622 HydrophobicContact CD2-CE3 4Å; F1597-W1622 AromaticContact CD2-CH2 3.94Å; F1597-W1622 HydrophobicContact CD2-CH2 3.94Å; F1597-W1622 AromaticContact CD2-CZ2 3.79Å; F1597-W1622 HydrophobicContact CD2-CZ2 3.79Å; F1597-W1622 HydrophobicContact CD2-CZ3 4.05Å; F1597-W1622 AromaticContact CE2-CD2 3.87Å; F1597-W1622 HydrophobicContact CE2-CD2 3.87Å; F1597-W1622 AromaticContact CE2-CE2 3.65Å; F1597-W1622 HydrophobicContact CE2-CE3 4.48Å; F1597-W1622 HydrophobicContact CE2-CG 4.13Å; F1597-W1622 HydrophobicContact CE2-CZ2 4.11Å; F1597-W1622 AromaticContact CE2-NE1 3.73Å; F1597-T1640 HydrophobicContact CZ-CG2 4.1Å; F1597-I1644 HydrophobicContact CD2-CD1 4.15Å; F1597-I1644 HydrophobicContact CD2-CG1 3.98Å; F1597-I1644 HydrophobicContact CD2-CG2 4.36Å; F1597-I1644 HydrophobicContact CE2-CD1 3.5Å; F1597-I1644 HydrophobicContact CE2-CG1 3.71Å; F1597-I1644 HydrophobicContact CZ-CD1 3.99Å; F1597-I1644 HydrophobicContact CZ-CG1 4.06Å
1598N93.2Very high93.3Very high49 Ų4960.7 Ų60.726%0.26232%0.319SS..  trans-148.8130.3171.7-178.4-16.7000108.3I1600 P1601 Y1613 W1622N1598-I1600 PolarHBondContact ND2-O 2.7Å; N1598-I1600 VanDerWaalsContact ND2-O 3.13Å; N1598-I1600 PolarHBondContact O-N 2.88Å; N1598-I1600 PolarHBondContact OD1-N 3.13Å; N1598-I1600 PolarHBondContact OD1-O 3.43Å; N1598-P1601 HydrophobicContact CB-CB 4.32Å; N1598-P1601 WeakPolarHBondContact O-CD 3.22Å; N1598-Y1613 PolarHBondContact ND2-OH 2.78Å; N1598-Y1613 PolarHBondContact OD1-OH 2.99Å; N1598-W1622 VanDerWaalsContact O-CZ2 3.24Å; N1598-W1622 WeakPolarHBondContact O-CZ2 3.36Å
1599P94.1Very high92.9Very high15 Ų1569 Ų6910%0.09736%0.356CS..SBendtrans-50.8-26.3174.7-28.934.4000115.4F1597 S1620 A1637 C1715F1597-P1599 HydrophobicContact CE1-CG 4.3Å; F1597-P1599 HydrophobicContact CZ-CG 4.33Å; P1599-S1620 PolarHBondContact O-OG 3.47Å; P1599-A1637 HydrophobicContact CG-CB 3.38Å; P1599-C1715 HydrophobicContact CB-CB 4.07Å; P1599-C1715 WeakPolarHBondContact O-CB 3.34Å
1600I94.5Very high92.6Very high3 Ų371 Ų712%0.01536%0.364CS..SBendtrans-136.398.2165.5-64.6-63.9000108.3N1598 F1602 Y1613 D1618 A1717N1598-I1600 PolarHBondContact ND2-O 2.7Å; N1598-I1600 VanDerWaalsContact ND2-O 3.13Å; N1598-I1600 PolarHBondContact O-N 2.88Å; N1598-I1600 PolarHBondContact OD1-N 3.13Å; N1598-I1600 PolarHBondContact OD1-O 3.43Å; I1600-F1602 HydrophobicContact CD1-CE1 4.18Å; I1600-F1602 HydrophobicContact CD1-CZ 4.14Å; I1600-F1602 HydrophobicContact CG2-CD1 3.92Å; I1600-F1602 HydrophobicContact CG2-CD2 4.12Å; I1600-F1602 HydrophobicContact CG2-CE1 3.83Å; I1600-F1602 HydrophobicContact CG2-CE2 4.05Å; I1600-F1602 HydrophobicContact CG2-CG 4.06Å; I1600-F1602 HydrophobicContact CG2-CZ 3.91Å; I1600-F1602 WeakPolarHBondContact CG2-O 3.43Å; I1600-F1602 PolarHBondContact O-N 3.21Å; I1600-F1602 VanDerWaalsContact O-N 3.08Å; I1600-Y1613 WeakPolarHBondContact O-CE2 3.44Å; I1600-D1618 HydrophobicContact CD1-CB 4.38Å; I1600-D1618 WeakPolarHBondContact CD1-O 3.46Å; I1600-A1717 HydrophobicContact CD1-CB 4.47Å; I1600-A1717 VanDerWaalsContact CG1-CA 3.47Å; I1600-A1717 HydrophobicContact CG1-CB 3.95Å
1601P93.9Very high92.5Very high41 Ų4171.8 Ų71.827%0.26637%0.37SS..  trans-80.822.7-176.334.5-36.1000113.5F1573 L1594 N1598 W1622F1573-P1601 HydrophobicContact CD2-CG 4.42Å; F1573-P1601 HydrophobicContact CE2-CG 4Å; F1573-P1601 HydrophobicContact CZ-CG 4.18Å; L1594-P1601 HydrophobicContact CD1-CB 3.91Å; L1594-P1601 HydrophobicContact CD1-CG 4.13Å; N1598-P1601 HydrophobicContact CB-CB 4.32Å; N1598-P1601 WeakPolarHBondContact O-CD 3.22Å; P1601-W1622 HydrophobicContact CB-CZ2 4.37Å; P1601-W1622 HydrophobicContact CG-CH2 4.49Å; P1601-W1622 HydrophobicContact CG-CZ2 3.96Å
1602F93.1Very high92.3Very high34 Ų3473.4 Ų73.415%0.14937%0.366CS..  trans-148.5172.8-173.260.9-88.8000112.2M1576 I1600 Y1613 D1618M1576-F1602 HydrophobicContact CB-CD1 3.92Å; M1576-F1602 HydrophobicContact CB-CE1 3.38Å; M1576-F1602 HydrophobicContact CB-CZ 3.9Å; M1576-F1602 HydrophobicContact CE-CB 4.07Å; M1576-F1602 HydrophobicContact CE-CD1 3.69Å; M1576-F1602 HydrophobicContact CE-CE1 4.4Å; M1576-F1602 HydrophobicContact CE-CG 4.06Å; M1576-F1602 HydrophobicContact CG-CD1 4.48Å; M1576-F1602 HydrophobicContact CG-CE1 4.31Å; M1576-F1602 HydrophobicContact SD-CB 4.35Å; M1576-F1602 HydrophobicContact SD-CD1 3.78Å; M1576-F1602 HydrophobicContact SD-CD2 4.39Å; M1576-F1602 HydrophobicContact SD-CE1 4.12Å; M1576-F1602 HydrophobicContact SD-CG 3.93Å; I1600-F1602 HydrophobicContact CD1-CE1 4.18Å; I1600-F1602 HydrophobicContact CD1-CZ 4.14Å; I1600-F1602 HydrophobicContact CG2-CD1 3.92Å; I1600-F1602 HydrophobicContact CG2-CD2 4.12Å; I1600-F1602 HydrophobicContact CG2-CE1 3.83Å; I1600-F1602 HydrophobicContact CG2-CE2 4.05Å; I1600-F1602 HydrophobicContact CG2-CG 4.06Å; I1600-F1602 HydrophobicContact CG2-CZ 3.91Å; I1600-F1602 WeakPolarHBondContact CG2-O 3.43Å; I1600-F1602 PolarHBondContact O-N 3.21Å; I1600-F1602 VanDerWaalsContact O-N 3.08Å; F1602-Y1613 WeakPolarHBondContact O-CD2 3.49Å; F1602-D1618 HydrophobicContact CE2-CB 3.88Å; F1602-D1618 HydrophobicContact CZ-CB 3.88Å
1603M92.7Very high92.1Very high110 Ų11078.8 Ų78.854%0.54239%0.387SS..  trans-144.7155.4174.558.4-164.3-77.100108.5C1611 Y1613M1603-C1611 HydrophobicContact CE-CB 3.47Å; M1603-C1611 VanDerWaalsContact CE-CB 3.47Å; M1603-Y1613 HydrophobicContact CB-CD2 4.41Å
1604F90.3Very high91.9Very high44 Ų4480.2 Ų80.219%0.19340%0.399CS..EExtended strand (participates in β ladder)trans-111.5143.2172.167.2-87.8000110.2C1611 Y1612 R1616F1604-C1611 CarbonylContact O-C 3.57Å; F1604-C1611 WeakPolarHBondContact O-CA 3.31Å; F1604-Y1612 HydrophobicContact CD2-CD2 4.01Å; F1604-Y1612 AromaticContact CE2-CD2 3.46Å; F1604-Y1612 HydrophobicContact CE2-CD2 3.46Å; F1604-Y1612 VanDerWaalsContact CE2-CD2 3.46Å; F1604-Y1612 HydrophobicContact CE2-CE2 4.38Å; F1604-Y1612 AromaticContact CE2-CG 3.83Å; F1604-Y1612 HydrophobicContact CE2-CG 3.83Å; F1604-Y1612 AromaticContact CZ-CD2 3.97Å; F1604-Y1612 HydrophobicContact CZ-CD2 3.97Å; F1604-Y1612 AromaticContact CZ-CG 3.83Å; F1604-Y1612 HydrophobicContact CZ-CG 3.83Å; F1604-Y1612 PolarHBondContact N-O 3.06Å; F1604-Y1612 VanDerWaalsContact N-O 3.1Å; F1604-Y1612 PolarHBondContact O-N 2.91Å; F1604-R1616 HydrophobicContact CE1-CB 3.63Å; F1604-R1616 HydrophobicContact CE1-CG 4.49Å; F1604-R1616 HydrophobicContact CZ-CB 3.93Å
1605C90.5Very high91.5Very high78 Ų7884.5 Ų84.553%0.52742%0.417SS..EExtended strand (participates in β ladder)trans-118.2135.6174.3-59.30000109.1N1610 C1611C1605-N1610 WeakPolarHBondContact CA-O 3.4Å; C1605-C1611 HydrophobicContact CB-CB 4.06Å; C1605-C1611 WeakPolarHBondContact CB-SG 3.21Å; C1605-C1611 WeakPolarHBondContact SG-CB 3.39Å; C1605-C1611 CovalentContact SG-SG 2.04Å; C1605-C1611 PolarHBondContact SG-SG 3.38Å
1606E87.2Confident91Very high97 Ų9783.3 Ų83.345%0.45341%0.408SS..  trans-86165.7172.6-63.9-166.3175.300110.6Q1608 E1609 N1610 Y1612E1606-Q1608 PolarHBondContact O-N 3.33Å; E1606-E1609 PolarHBondContact O-N 3.13Å; E1606-N1610 PolarHBondContact N-O 2.72Å; E1606-Y1612 HydrophobicContact CG-CD2 4.4Å; E1606-Y1612 HydrophobicContact CG-CE2 4.03Å
1607K86.9Confident90.9Very high176 Ų17682.1 Ų82.177%0.76540%0.402SS*.THydrogen-bonded Turntrans-65.23.2-179.9-64.3-174.6177.4-177.90114.7
1608Q87.3Confident90.7Very high141 Ų14180.5 Ų80.566%0.65940%0.395SS*.THydrogen-bonded Turntrans-109.322.5-177.9-60.2176.7-2.900111.4E1606 N1610E1606-Q1608 PolarHBondContact O-N 3.33Å; Q1608-N1610 PolarHBondContact O-N 3.14Å
1609E85.7Confident90.7Very high185 Ų18580.2 Ų80.286%0.86439%0.39SS*.SBendtrans62-9.1-177.9-54.6-173.2154.500115.7E1606 C1611E1606-E1609 PolarHBondContact O-N 3.13Å; E1609-C1611 PolarHBondContact O-N 2.81Å
1610N90.4Very high90.7Very high80 Ų8079.5 Ų79.543%0.42839%0.386SS..  trans-64.4123.5168.8-67.1-51.5000111.3C1605 E1606 Q1608 Y1612C1605-N1610 WeakPolarHBondContact CA-O 3.4Å; E1606-N1610 PolarHBondContact N-O 2.72Å; Q1608-N1610 PolarHBondContact O-N 3.14Å; N1610-Y1612 HydrophobicContact CB-CE2 3.92Å
1611C92.8Very high90.7Very high58 Ų5879.5 Ų79.539%0.39239%0.385SS..EExtended strand (participates in β ladder)trans-116.5141.2175.8-61.10000112.2M1603 F1604 C1605 E1609M1603-C1611 HydrophobicContact CE-CB 3.47Å; M1603-C1611 VanDerWaalsContact CE-CB 3.47Å; F1604-C1611 CarbonylContact O-C 3.57Å; F1604-C1611 WeakPolarHBondContact O-CA 3.31Å; C1605-C1611 HydrophobicContact CB-CB 4.06Å; C1605-C1611 WeakPolarHBondContact CB-SG 3.21Å; C1605-C1611 WeakPolarHBondContact SG-CB 3.39Å; C1605-C1611 CovalentContact SG-SG 2.04Å; C1605-C1611 PolarHBondContact SG-SG 3.38Å; E1609-C1611 PolarHBondContact O-N 2.81Å
1612Y91.2Very high90.7Very high67 Ų6777.5 Ų77.526%0.26337%0.373SS..EExtended strand (participates in β ladder)trans-123.9114.5-172.5-60.4-81.9000110.1F1604 E1606 N1610F1604-Y1612 HydrophobicContact CD2-CD2 4.01Å; F1604-Y1612 AromaticContact CE2-CD2 3.46Å; F1604-Y1612 HydrophobicContact CE2-CD2 3.46Å; F1604-Y1612 VanDerWaalsContact CE2-CD2 3.46Å; F1604-Y1612 HydrophobicContact CE2-CE2 4.38Å; F1604-Y1612 AromaticContact CE2-CG 3.83Å; F1604-Y1612 HydrophobicContact CE2-CG 3.83Å; F1604-Y1612 AromaticContact CZ-CD2 3.97Å; F1604-Y1612 HydrophobicContact CZ-CD2 3.97Å; F1604-Y1612 AromaticContact CZ-CG 3.83Å; F1604-Y1612 HydrophobicContact CZ-CG 3.83Å; F1604-Y1612 PolarHBondContact N-O 3.06Å; F1604-Y1612 VanDerWaalsContact N-O 3.1Å; F1604-Y1612 PolarHBondContact O-N 2.91Å; E1606-Y1612 HydrophobicContact CG-CD2 4.4Å; E1606-Y1612 HydrophobicContact CG-CE2 4.03Å; N1610-Y1612 HydrophobicContact CB-CE2 3.92Å
1613Y93.1Very high90.8Very high114 Ų11475.9 Ų75.945%0.44737%0.366SS..SBendtrans-106124.6173.5169.5-99.7000109.4N1598 I1600 F1602 M1603 Q1615N1598-Y1613 PolarHBondContact ND2-OH 2.78Å; N1598-Y1613 PolarHBondContact OD1-OH 2.99Å; I1600-Y1613 WeakPolarHBondContact O-CE2 3.44Å; F1602-Y1613 WeakPolarHBondContact O-CD2 3.49Å; M1603-Y1613 HydrophobicContact CB-CD2 4.41Å; Y1613-Q1615 WeakPolarHBondContact O-CG 3.41Å; Y1613-Q1615 PolarHBondContact O-N 2.67Å
1614A91.8Very high90.9Very high32 Ų3270.8 Ų70.826%0.26434%0.34SS..SBendtrans52.618.2177.900000116.8A1717A1614-A1717 HydrophobicContact CB-CB 4.29Å
1615Q88.9Confident91Very high143 Ų14368.9 Ų68.967%0.66833%0.333SS*.  trans-94.8-8.2-177.3-76.4170.25400114.6Y1613Y1613-Q1615 WeakPolarHBondContact O-CG 3.41Å; Y1613-Q1615 PolarHBondContact O-N 2.67Å
1616R86.9Confident90.8Very high98 Ų9871.2 Ų71.237%0.3734%0.336SS..SBendtrans-113165.2174179.7175.5177159.2-2.8109.9S1579 D1580 F1604 D1618 A1717S1579-R1616 PolarHBondContact OG-NH1 3.38Å; D1580-R1616 IonicContact OD2-CZ 3.53Å; D1580-R1616 IonicContact OD2-NH2 3.46Å; D1580-R1616 PolarHBondContact OD2-NH2 2.88Å; F1604-R1616 HydrophobicContact CE1-CB 3.63Å; F1604-R1616 HydrophobicContact CE1-CG 4.49Å; F1604-R1616 HydrophobicContact CZ-CB 3.93Å; R1616-D1618 WeakPolarHBondContact CB-OD2 3.38Å; R1616-D1618 PolarHBondContact O-N 3.32Å; R1616-A1717 WeakPolarHBondContact O-CB 3.46Å
1617N89.3Confident90.5Very high119 Ų11971.7 Ų71.764%0.63634%0.338SS*.SBendtrans-70.234.1174.6-74.3-29.8000114.4
1618D91.8Very high89.8Confident6 Ų667.2 Ų67.23%0.03232%0.32CS..  trans-66.6157.6174.3-57.6-50.2000110.8G1578 S1579 I1600 F1602 R1616 A1717G1578-D1618 WeakPolarHBondContact CA-OD1 3.46Å; S1579-D1618 PolarHBondContact N-OD1 2.6Å; I1600-D1618 HydrophobicContact CD1-CB 4.38Å; I1600-D1618 WeakPolarHBondContact CD1-O 3.46Å; F1602-D1618 HydrophobicContact CE2-CB 3.88Å; F1602-D1618 HydrophobicContact CZ-CB 3.88Å; R1616-D1618 WeakPolarHBondContact CB-OD2 3.38Å; R1616-D1618 PolarHBondContact O-N 3.32Å; D1618-A1717 PolarHBondContact O-N 3.02Å
1619R92.8Very high89.2Confident44 Ų4461 Ų6117%0.16629%0.291CS..EExtended strand (participates in β ladder)trans-135.3154.2-175-51.2-165.5-167.5-164.78112.1M1576 T1577 Y1621 Y1688 E1714 C1715M1576-R1619 WeakPolarHBondContact CA-O 3.26Å; T1577-R1619 PolarHBondContact N-O 2.99Å; T1577-R1619 PolarHBondContact O-N 3.16Å; R1619-Y1621 HydrophobicContact CB-CE2 4.25Å; R1619-Y1688 VanDerWaalsContact CZ-CD1 3.42Å; R1619-Y1688 VanDerWaalsContact NH2-CD1 3.3Å; R1619-Y1688 VanDerWaalsContact NH2-CG 3.28Å; R1619-E1714 HydrophobicContact CB-CG 4.5Å; R1619-E1714 VanDerWaalsContact CD-OE1 3.28Å; R1619-E1714 WeakPolarHBondContact CD-OE1 3.47Å; R1619-E1714 IonicContact CZ-OE1 3.44Å; R1619-E1714 IonicContact NE-OE1 3.26Å; R1619-E1714 IonicContact NH1-OE1 3.64Å; R1619-E1714 PolarHBondContact NH1-OE1 2.84Å; R1619-E1714 IonicContact NH1-OE2 2.66Å; R1619-C1715 CarbonylContact C-O 2.76Å; R1619-C1715 VanDerWaalsContact CA-O 3.29Å; R1619-C1715 WeakPolarHBondContact CA-O 3.08Å; R1619-C1715 WeakPolarHBondContact CB-O 3.27Å
1620S93.9Very high88.8Confident0 Ų058.9 Ų58.90%028%0.284CS..EExtended strand (participates in β ladder)trans-129154.8168.874.30000111S1575 P1599 W1622 C1715S1575-S1620 CarbonylContact O-C 3.56Å; P1599-S1620 PolarHBondContact O-OG 3.47Å; S1620-W1622 PolarHBondContact OG-NE1 3.06Å; S1620-C1715 PolarHBondContact N-O 2.75Å; S1620-C1715 PolarHBondContact O-N 3.4Å; S1620-C1715 WeakPolarHBondContact OG-CB 3.43Å
1621Y94.4Very high88.3Confident2 Ų258.9 Ų58.91%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-130.4133.3-174.8-64.5-81000109.4L1574 S1575 R1619 Y1688 F1712 I1713 E1714L1574-Y1621 WeakPolarHBondContact CB-O 3.39Å; L1574-Y1621 PolarHBondContact N-O 3.38Å; S1575-Y1621 PolarHBondContact N-O 2.66Å; S1575-Y1621 PolarHBondContact O-N 2.84Å; S1575-Y1621 WeakPolarHBondContact OG-CB 3.39Å; S1575-Y1621 WeakPolarHBondContact OG-CD2 3.13Å; R1619-Y1621 HydrophobicContact CB-CE2 4.25Å; Y1621-Y1688 WeakPolarHBondContact OH-CB 3.4Å; Y1621-Y1688 PolarHBondContact OH-N 2.89Å; Y1621-F1712 AromaticContact CD1-CD2 3.49Å; Y1621-F1712 HydrophobicContact CD1-CD2 3.49Å; Y1621-F1712 VanDerWaalsContact CD1-CD2 3.49Å; Y1621-F1712 AromaticContact CD1-CE2 3.42Å; Y1621-F1712 HydrophobicContact CD1-CE2 3.42Å; Y1621-F1712 VanDerWaalsContact CD1-CE2 3.42Å; Y1621-F1712 HydrophobicContact CE1-CD2 4.22Å; Y1621-F1712 AromaticContact CE1-CE2 3.68Å; Y1621-F1712 HydrophobicContact CE1-CE2 3.68Å; Y1621-F1712 HydrophobicContact CG-CD2 4.33Å; Y1621-F1712 HydrophobicContact CG-CE2 4.46Å; Y1621-I1713 WeakPolarHBondContact CA-O 3.15Å; Y1621-E1714 HydrophobicContact CD1-CB 3.82Å; Y1621-E1714 HydrophobicContact CD1-CG 4.01Å; Y1621-E1714 HydrophobicContact CE1-CB 3.5Å; Y1621-E1714 HydrophobicContact CE1-CG 3.37Å; Y1621-E1714 WeakPolarHBondContact CE1-OE2 3.07Å; Y1621-E1714 VanDerWaalsContact CZ-OE2 3.3Å; Y1621-E1714 PolarHBondContact OH-OE2 3.25Å
1622W94.7Very high87.7Confident0 Ų062.6 Ų62.60%029%0.288CS..EExtended strand (participates in β ladder)trans-131.3141.1-174.4-5879000108.9S1572 F1573 L1594 F1597 N1598 P1601 S1620 S1624 I1644 F1712 I1713S1572-W1622 CarbonylContact O-C 3.59Å; S1572-W1622 VanDerWaalsContact O-CA 3.24Å; S1572-W1622 WeakPolarHBondContact O-CA 3.25Å; F1573-W1622 HydrophobicContact CB-CE3 3.89Å; F1573-W1622 HydrophobicContact CB-CH2 4.12Å; F1573-W1622 HydrophobicContact CB-CZ3 3.66Å; F1573-W1622 HydrophobicContact CD2-CD2 4.18Å; F1573-W1622 AromaticContact CD2-CE2 3.97Å; F1573-W1622 HydrophobicContact CD2-CE3 4.36Å; F1573-W1622 HydrophobicContact CD2-CH2 4.18Å; F1573-W1622 AromaticContact CD2-CZ2 3.97Å; F1573-W1622 HydrophobicContact CD2-CZ2 3.97Å; F1573-W1622 HydrophobicContact CD2-CZ3 4.35Å; F1573-W1622 HydrophobicContact CG-CH2 4.36Å; F1573-W1622 HydrophobicContact CG-CZ3 4.35Å; L1594-W1622 HydrophobicContact CB-CH2 4.36Å; L1594-W1622 HydrophobicContact CB-CZ3 4.4Å; L1594-W1622 HydrophobicContact CD1-CH2 3.84Å; L1594-W1622 HydrophobicContact CD1-CZ3 4.4Å; F1597-W1622 AromaticContact CD2-CD2 3.84Å; F1597-W1622 HydrophobicContact CD2-CD2 3.84Å; F1597-W1622 AromaticContact CD2-CE2 3.71Å; F1597-W1622 AromaticContact CD2-CE3 4Å; F1597-W1622 HydrophobicContact CD2-CE3 4Å; F1597-W1622 AromaticContact CD2-CH2 3.94Å; F1597-W1622 HydrophobicContact CD2-CH2 3.94Å; F1597-W1622 AromaticContact CD2-CZ2 3.79Å; F1597-W1622 HydrophobicContact CD2-CZ2 3.79Å; F1597-W1622 HydrophobicContact CD2-CZ3 4.05Å; F1597-W1622 AromaticContact CE2-CD2 3.87Å; F1597-W1622 HydrophobicContact CE2-CD2 3.87Å; F1597-W1622 AromaticContact CE2-CE2 3.65Å; F1597-W1622 HydrophobicContact CE2-CE3 4.48Å; F1597-W1622 HydrophobicContact CE2-CG 4.13Å; F1597-W1622 HydrophobicContact CE2-CZ2 4.11Å; F1597-W1622 AromaticContact CE2-NE1 3.73Å; N1598-W1622 VanDerWaalsContact O-CZ2 3.24Å; N1598-W1622 WeakPolarHBondContact O-CZ2 3.36Å; P1601-W1622 HydrophobicContact CB-CZ2 4.37Å; P1601-W1622 HydrophobicContact CG-CH2 4.49Å; P1601-W1622 HydrophobicContact CG-CZ2 3.96Å; S1620-W1622 PolarHBondContact OG-NE1 3.06Å; W1622-S1624 PolarHBondContact O-N 3.4Å; W1622-I1644 HydrophobicContact CB-CD1 3.67Å; W1622-I1644 HydrophobicContact CB-CG2 4.23Å; W1622-I1644 HydrophobicContact CE3-CG2 4.14Å; W1622-I1644 HydrophobicContact CG-CD1 3.91Å; W1622-F1712 CarbonylContact O-C 3.48Å; W1622-F1712 WeakPolarHBondContact O-CA 3.36Å; W1622-F1712 WeakPolarHBondContact O-CB 3.02Å; W1622-I1713 HydrophobicContact CB-CG2 4.25Å; W1622-I1713 PolarHBondContact N-O 3.43Å; W1622-I1713 VanDerWaalsContact N-O 3.08Å; W1622-I1713 PolarHBondContact O-N 3.3Å
1623L94.9Very high87.5Confident0 Ų064 Ų640%030%0.299CS..EExtended strand (participates in β ladder)trans-60.3134.2171.1-68.1177.6000109.1H1551 S1572 L1574 L1587 S1645 L1704 M1711H1551-L1623 HydrophobicContact CB-CD1 3.84Å; S1572-L1623 PolarHBondContact O-N 3.11Å; L1574-L1623 HydrophobicContact CD2-CD2 4.21Å; L1587-L1623 HydrophobicContact CD1-CD1 4.07Å; L1587-L1623 HydrophobicContact CD1-CD2 4.32Å; L1587-L1623 HydrophobicContact CD2-CD1 3.83Å; L1587-L1623 HydrophobicContact CD2-CG 4.19Å; L1623-S1645 VanDerWaalsContact O-CB 3.22Å; L1623-S1645 WeakPolarHBondContact O-CB 3.3Å; L1623-S1645 PolarHBondContact O-N 2.91Å; L1623-L1704 HydrophobicContact CD1-CD2 4.04Å; L1623-M1711 WeakPolarHBondContact CA-O 3.41Å; L1623-M1711 HydrophobicContact CD2-CE 4.15Å; L1623-M1711 HydrophobicContact CD2-CG 3.9Å; L1623-M1711 HydrophobicContact CD2-SD 4.39Å
1624S93.2Very high87.2Confident2 Ų261.1 Ų61.11%0.01430%0.295CS..BIsolated β-bridgetrans-87174.6-176.458.70000112.8W1622 Y1643 H1710 M1711W1622-S1624 PolarHBondContact O-N 3.4Å; S1624-Y1643 CarbonylContact C-O 3.52Å; S1624-Y1643 WeakPolarHBondContact CA-O 3.34Å; S1624-H1710 PolarHBondContact OG-O 2.99Å; S1624-M1711 PolarHBondContact N-O 3.03Å; S1624-M1711 PolarHBondContact OG-O 3.44Å
1625T92.7Very high87.2Confident5 Ų560.4 Ų60.43%0.03129%0.287CS..  trans-97.7-171.7168.171.70000111.4Q1553 T1554 A1555 E1627 R1642 Y1643 I1644Q1553-T1625 WeakPolarHBondContact O-CA 3.41Å; T1554-T1625 VanDerWaalsContact C-CG2 3.41Å; A1555-T1625 HydrophobicContact CB-CG2 4.38Å; T1625-E1627 VanDerWaalsContact C-N 3.33Å; T1625-E1627 PolarHBondContact OG1-N 3.28Å; T1625-E1627 PolarHBondContact OG1-O 3.39Å; T1625-R1642 VanDerWaalsContact CG2-O 3.23Å; T1625-R1642 WeakPolarHBondContact CG2-O 3.33Å; T1625-R1642 PolarHBondContact OG1-O 3.07Å; T1625-Y1643 PolarHBondContact N-O 2.04Å; T1625-Y1643 VanDerWaalsContact N-O 3.09Å; T1625-I1644 WeakPolarHBondContact CG2-O 3.28Å
1626E86.2Confident87.3Confident127 Ų12755.9 Ų55.959%0.59327%0.27SS*.SBendtrans-75.1-20.8169.2179.3140.9-132.100113.3R1708E1626-R1708 VanDerWaalsContact CD-CZ 3.5Å; E1626-R1708 IonicContact OE1-CZ 2.8Å; E1626-R1708 IonicContact OE1-NH1 2.76Å; E1626-R1708 PolarHBondContact OE1-NH1 3.46Å; E1626-R1708 IonicContact OE1-NH2 3.48Å; E1626-R1708 PolarHBondContact OE1-NH2 2.71Å; E1626-R1708 IonicContact OE2-CZ 2.78Å; E1626-R1708 IonicContact OE2-NH1 2.63Å; E1626-R1708 IonicContact OE2-NH2 3.25Å; E1626-R1708 PolarHBondContact OE2-NH2 3.33Å
1627E80.7Confident87.2Confident107 Ų10752.7 Ų52.750%0.527%0.265SS..  trans-76.6130.4167.5-66-164.8129.900108.7T1625 R1642 Y1643T1625-E1627 VanDerWaalsContact C-N 3.33Å; T1625-E1627 PolarHBondContact OG1-N 3.28Å; T1625-E1627 PolarHBondContact OG1-O 3.39Å; E1627-R1642 WeakPolarHBondContact OE2-CB 3.44Å; E1627-R1642 WeakPolarHBondContact OE2-CG 3.18Å; E1627-Y1643 HydrophobicContact CB-CD1 3.69Å; E1627-Y1643 HydrophobicContact CB-CE1 3.74Å; E1627-Y1643 VanDerWaalsContact O-CD1 3.25Å; E1627-Y1643 WeakPolarHBondContact O-CD1 3.03Å
1628E73.3Confident86.9Confident82 Ų8253.1 Ų53.138%0.38327%0.267SS..  trans-119.9127.2173.5-60.1-179.9-168.400108.4H1710 F1723E1628-H1710 IonicContact OE1-CD2 2.6Å; E1628-H1710 IonicContact OE2-CD2 2.66Å; E1628-H1710 PolarHBondContact OE2-CD2 2.84Å; E1628-H1710 IonicContact OE2-CG 2.98Å; E1628-F1723 HydrophobicContact CB-CD2 4.12Å; E1628-F1723 HydrophobicContact CB-CE2 3.69Å; E1628-F1723 HydrophobicContact CG-CD2 4.42Å; E1628-F1723 HydrophobicContact CG-CE2 3.68Å; E1628-F1723 HydrophobicContact CG-CZ 4.06Å
1629P75.7Confident86.7Confident9 Ų956.8 Ų56.86%0.05828%0.284CS..PPolyproline II helixtrans-64.5151.2161.830.6-32.1000108.2M1631 V1635 Y1643 I1713 F1723P1629-M1631 PolarHBondContact O-N 2.84Å; P1629-V1635 HydrophobicContact CB-CG1 3.84Å; P1629-V1635 HydrophobicContact CG-CG2 4.42Å; P1629-Y1643 HydrophobicContact CB-CE1 4.37Å; P1629-Y1643 HydrophobicContact CB-CE2 3.97Å; P1629-Y1643 HydrophobicContact CG-CD2 4.18Å; P1629-Y1643 HydrophobicContact CG-CE1 4.46Å; P1629-Y1643 HydrophobicContact CG-CE2 4.11Å; P1629-Y1643 HydrophobicContact CG-CG 4.42Å; P1629-I1713 HydrophobicContact CG-CD1 4.17Å; P1629-F1723 HydrophobicContact CG-CD2 4.19Å
1630M75.5Confident86.4Confident142 Ų14254.7 Ų54.770%0.728%0.276SS*.PPolyproline II helixtrans-50129.5176.8-77177.360.500110.6W1632 N1633M1630-W1632 PolarHBondContact O-N 2.96Å; M1630-N1633 HydrophobicContact CB-CB 4.23Å; M1630-N1633 WeakPolarHBondContact O-CB 3.08Å; M1630-N1633 PolarHBondContact O-N 3.01Å
1631M80Confident86.1Confident79 Ų7960.1 Ų60.139%0.38930%0.302SS..THydrogen-bonded Turntrans-51.2138.6174.6-161.3-163.9-53.600109.7P1629 N1633 F1723 E1725P1629-M1631 PolarHBondContact O-N 2.84Å; M1631-N1633 VanDerWaalsContact C-N 3.26Å; M1631-N1633 PolarHBondContact O-N 3.31Å; M1631-F1723 HydrophobicContact CG-CB 4.31Å; M1631-F1723 WeakPolarHBondContact CG-O 3.1Å; M1631-E1725 HydrophobicContact SD-CB 4.22Å
1632W80.2Confident85.9Confident137 Ų13764.2 Ų64.252%0.51932%0.317SS..THydrogen-bonded Turntrans67.95-172.9-50102.6000117.3M1630 P1634 F1723 F1724 E1725M1630-W1632 PolarHBondContact O-N 2.96Å; W1632-P1634 WeakPolarHBondContact O-CD 3.33Å; W1632-F1723 PolarHBondContact N-O 3.41Å; W1632-F1723 VanDerWaalsContact N-O 3.09Å; W1632-F1724 HydrophobicContact CD2-CD1 4.44Å; W1632-F1724 AromaticContact CE3-CD1 3.63Å; W1632-F1724 HydrophobicContact CE3-CD1 3.63Å; W1632-F1724 HydrophobicContact CE3-CE1 4.27Å; W1632-F1724 HydrophobicContact CZ3-CB 4.45Å; W1632-F1724 AromaticContact CZ3-CD1 3.75Å; W1632-F1724 HydrophobicContact CZ3-CD1 3.75Å; W1632-E1725 HydrophobicContact CH2-CB 4.26Å; W1632-E1725 HydrophobicContact CZ2-CB 3.44Å; W1632-E1725 VanDerWaalsContact CZ2-CB 3.44Å
1633N87.6Confident85.8Confident95 Ų9565.3 Ų65.351%0.50832%0.321SS..  trans-108.890.7164.9-78.6-19.1000110.7M1630 M1631 V1635M1630-N1633 HydrophobicContact CB-CB 4.23Å; M1630-N1633 WeakPolarHBondContact O-CB 3.08Å; M1630-N1633 PolarHBondContact O-N 3.01Å; M1631-N1633 VanDerWaalsContact C-N 3.26Å; M1631-N1633 PolarHBondContact O-N 3.31Å; N1633-V1635 PolarHBondContact O-N 3.12Å
1634P87.2Confident85.7Confident54 Ų5465.3 Ų65.335%0.35132%0.321SS..PPolyproline II helixtrans-64.6132.1174.2-20.133.2000111.7W1632 L1720 C1721 F1724W1632-P1634 WeakPolarHBondContact O-CD 3.33Å; P1634-L1720 HydrophobicContact CB-CB 3.97Å; P1634-C1721 CarbonylContact C-O 3.28Å; P1634-C1721 VanDerWaalsContact CA-O 3.27Å; P1634-C1721 WeakPolarHBondContact CA-O 3.26Å; P1634-F1724 HydrophobicContact CG-CE1 4.17Å; P1634-F1724 HydrophobicContact CG-CZ 3.97Å
1635V92.5Very high85.9Confident18 Ų1865.2 Ų65.211%0.10932%0.321CS..EExtended strand (participates in β ladder)trans-93.3152.3174.2-68.30000111.1P1629 N1633 T1640 Y1643 L1720 C1721P1629-V1635 HydrophobicContact CB-CG1 3.84Å; P1629-V1635 HydrophobicContact CG-CG2 4.42Å; N1633-V1635 PolarHBondContact O-N 3.12Å; V1635-T1640 HydrophobicContact CG2-CG2 4.45Å; V1635-Y1643 HydrophobicContact CB-CE2 4.36Å; V1635-Y1643 HydrophobicContact CG1-CE2 4.01Å; V1635-Y1643 HydrophobicContact CG2-CD2 3.8Å; V1635-Y1643 HydrophobicContact CG2-CE2 3.78Å; V1635-L1720 WeakPolarHBondContact O-CA 3.15Å; V1635-C1721 VanDerWaalsContact CG2-O 3.32Å; V1635-C1721 WeakPolarHBondContact CG2-O 3.4Å; V1635-C1721 PolarHBondContact N-O 2.76Å; V1635-C1721 PolarHBondContact O-N 3.43Å
1636P91Very high86.1Confident48 Ų4866.5 Ų66.531%0.31233%0.325SS..EExtended strand (participates in β ladder)trans-73.2154.3174.831.9-36.1000112N1638 E1639 T1640P1636-N1638 VanDerWaalsContact C-N 3.26Å; P1636-N1638 VanDerWaalsContact CB-OD1 3.29Å; P1636-N1638 WeakPolarHBondContact CB-OD1 3.43Å; P1636-N1638 VanDerWaalsContact CG-OD1 3.3Å; P1636-N1638 WeakPolarHBondContact CG-OD1 3.18Å; P1636-N1638 PolarHBondContact O-N 2.69Å; P1636-N1638 VanDerWaalsContact O-N 3.13Å; P1636-E1639 HydrophobicContact CG-CB 4.29Å; P1636-E1639 HydrophobicContact CG-CG 4.27Å; P1636-E1639 PolarHBondContact O-N 2.97Å; P1636-T1640 PolarHBondContact O-N 3.37Å; P1636-T1640 VanDerWaalsContact O-N 3.1Å; P1636-T1640 PolarHBondContact O-OG1 3.26Å
1637A82.8Confident86.6Confident30 Ų3060.5 Ų60.525%0.24830%0.297CS..Hα-helixtrans-49.1-41.2-174.700000114.9P1599 E1639 T1640 G1719P1599-A1637 HydrophobicContact CG-CB 3.38Å; A1637-E1639 VanDerWaalsContact C-N 3.33Å; A1637-E1639 PolarHBondContact O-N 2.85Å; A1637-T1640 WeakPolarHBondContact CA-OG1 3.11Å; A1637-T1640 WeakPolarHBondContact O-CB 3.26Å; A1637-T1640 PolarHBondContact O-N 3.46Å; A1637-T1640 VanDerWaalsContact O-N 3.11Å; A1637-G1719 PolarHBondContact N-O 3.19Å
1638N84.1Confident87.4Confident129 Ų12955.4 Ų55.469%0.6927%0.273SS*.Hα-helixtrans-65.7-31.4179.663.9-44.2000113.3P1636P1636-N1638 VanDerWaalsContact C-N 3.26Å; P1636-N1638 VanDerWaalsContact CB-OD1 3.29Å; P1636-N1638 WeakPolarHBondContact CB-OD1 3.43Å; P1636-N1638 VanDerWaalsContact CG-OD1 3.3Å; P1636-N1638 WeakPolarHBondContact CG-OD1 3.18Å; P1636-N1638 PolarHBondContact O-N 2.69Å; P1636-N1638 VanDerWaalsContact O-N 3.13Å
1639E87.1Confident88.6Confident83 Ų8351.5 Ų51.539%0.38826%0.255SS..Hα-helixtrans-86.5-14.2172.8-73.4-161.7-120.800113P1636 A1637 Q1641 R1642P1636-E1639 HydrophobicContact CG-CB 4.29Å; P1636-E1639 HydrophobicContact CG-CG 4.27Å; P1636-E1639 PolarHBondContact O-N 2.97Å; A1637-E1639 VanDerWaalsContact C-N 3.33Å; A1637-E1639 PolarHBondContact O-N 2.85Å; E1639-Q1641 PolarHBondContact O-N 2.8Å; E1639-R1642 IonicContact OE2-CZ 3.48Å; E1639-R1642 IonicContact OE2-NH1 2.59Å; E1639-R1642 PolarHBondContact OE2-NH1 3.17Å; E1639-R1642 IonicContact OE2-NH2 3.97Å; E1639-R1642 PolarHBondContact OE2-NH2 3.24Å
1640T87.8Confident89.6Confident0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-70-21.5-173.1-48.90000112.3F1597 V1635 P1636 A1637 R1642 Y1643 I1644 I1713 C1721F1597-T1640 HydrophobicContact CZ-CG2 4.1Å; V1635-T1640 HydrophobicContact CG2-CG2 4.45Å; P1636-T1640 PolarHBondContact O-N 3.37Å; P1636-T1640 VanDerWaalsContact O-N 3.1Å; P1636-T1640 PolarHBondContact O-OG1 3.26Å; A1637-T1640 WeakPolarHBondContact CA-OG1 3.11Å; A1637-T1640 WeakPolarHBondContact O-CB 3.26Å; A1637-T1640 PolarHBondContact O-N 3.46Å; A1637-T1640 VanDerWaalsContact O-N 3.11Å; T1640-R1642 PolarHBondContact O-N 2.72Å; T1640-Y1643 WeakPolarHBondContact O-CA 3.28Å; T1640-Y1643 WeakPolarHBondContact O-CB 3.24Å; T1640-Y1643 PolarHBondContact O-N 2.91Å; T1640-I1644 HydrophobicContact CG2-CD1 3.78Å; T1640-I1644 HydrophobicContact CG2-CG1 3.93Å; T1640-I1644 PolarHBondContact O-N 2.9Å; T1640-I1713 HydrophobicContact CG2-CD1 4.24Å; T1640-C1721 HydrophobicContact CG2-CB 3.53Å
1641Q86.2Confident90.5Very high114 Ų11446.3 Ų46.353%0.53323%0.228SC..THydrogen-bonded Turntrans-54.3-30.3-173.6-163.2-178.98.500114.8Y1571 E1639 Y1643Y1571-Q1641 HydrophobicContact CE1-CG 4.1Å; Y1571-Q1641 PolarHBondContact OH-NE2 2.68Å; E1639-Q1641 PolarHBondContact O-N 2.8Å; Q1641-Y1643 VanDerWaalsContact C-N 3.33Å
1642R90.1Very high91.1Very high87 Ų8742.6 Ų42.633%0.32821%0.21SC..THydrogen-bonded Turntrans-73-23.8175.469-170173.7-116.6-5.6113.8T1625 E1627 E1639 T1640T1625-R1642 VanDerWaalsContact CG2-O 3.23Å; T1625-R1642 WeakPolarHBondContact CG2-O 3.33Å; T1625-R1642 PolarHBondContact OG1-O 3.07Å; E1627-R1642 WeakPolarHBondContact OE2-CB 3.44Å; E1627-R1642 WeakPolarHBondContact OE2-CG 3.18Å; E1639-R1642 IonicContact OE2-CZ 3.48Å; E1639-R1642 IonicContact OE2-NH1 2.59Å; E1639-R1642 PolarHBondContact OE2-NH1 3.17Å; E1639-R1642 IonicContact OE2-NH2 3.97Å; E1639-R1642 PolarHBondContact OE2-NH2 3.24Å; T1640-R1642 PolarHBondContact O-N 2.72Å
1643Y92.6Very high91.4Very high24 Ų2437.7 Ų37.79%0.09420%0.197CC..THydrogen-bonded Turntrans-95.5-7.4-179.7-50.9-56.2000114S1624 T1625 E1627 P1629 V1635 T1640 Q1641S1624-Y1643 CarbonylContact C-O 3.52Å; S1624-Y1643 WeakPolarHBondContact CA-O 3.34Å; T1625-Y1643 PolarHBondContact N-O 2.04Å; T1625-Y1643 VanDerWaalsContact N-O 3.09Å; E1627-Y1643 HydrophobicContact CB-CD1 3.69Å; E1627-Y1643 HydrophobicContact CB-CE1 3.74Å; E1627-Y1643 VanDerWaalsContact O-CD1 3.25Å; E1627-Y1643 WeakPolarHBondContact O-CD1 3.03Å; P1629-Y1643 HydrophobicContact CB-CE1 4.37Å; P1629-Y1643 HydrophobicContact CB-CE2 3.97Å; P1629-Y1643 HydrophobicContact CG-CD2 4.18Å; P1629-Y1643 HydrophobicContact CG-CE1 4.46Å; P1629-Y1643 HydrophobicContact CG-CE2 4.11Å; P1629-Y1643 HydrophobicContact CG-CG 4.42Å; V1635-Y1643 HydrophobicContact CB-CE2 4.36Å; V1635-Y1643 HydrophobicContact CG1-CE2 4.01Å; V1635-Y1643 HydrophobicContact CG2-CD2 3.8Å; V1635-Y1643 HydrophobicContact CG2-CE2 3.78Å; T1640-Y1643 WeakPolarHBondContact O-CA 3.28Å; T1640-Y1643 WeakPolarHBondContact O-CB 3.24Å; T1640-Y1643 PolarHBondContact O-N 2.91Å; Q1641-Y1643 VanDerWaalsContact C-N 3.33Å
1644I94.6Very high91.5Very high0 Ų033.8 Ų33.80%018%0.177CC..BIsolated β-bridgetrans-95.2126.7176.6-53.2-65.8000110.4Y1571 F1597 W1622 T1625 T1640 I1713Y1571-I1644 HydrophobicContact CD1-CB 4.23Å; Y1571-I1644 HydrophobicContact CD1-CG2 3.73Å; Y1571-I1644 HydrophobicContact CG-CG2 4.26Å; F1597-I1644 HydrophobicContact CD2-CD1 4.15Å; F1597-I1644 HydrophobicContact CD2-CG1 3.98Å; F1597-I1644 HydrophobicContact CD2-CG2 4.36Å; F1597-I1644 HydrophobicContact CE2-CD1 3.5Å; F1597-I1644 HydrophobicContact CE2-CG1 3.71Å; F1597-I1644 HydrophobicContact CZ-CD1 3.99Å; F1597-I1644 HydrophobicContact CZ-CG1 4.06Å; W1622-I1644 HydrophobicContact CB-CD1 3.67Å; W1622-I1644 HydrophobicContact CB-CG2 4.23Å; W1622-I1644 HydrophobicContact CE3-CG2 4.14Å; W1622-I1644 HydrophobicContact CG-CD1 3.91Å; T1625-I1644 WeakPolarHBondContact CG2-O 3.28Å; T1640-I1644 HydrophobicContact CG2-CD1 3.78Å; T1640-I1644 HydrophobicContact CG2-CG1 3.93Å; T1640-I1644 PolarHBondContact O-N 2.9Å; I1644-I1713 HydrophobicContact CD1-CG2 3.6Å
1645S96Very high91.6Very high0 Ų036.7 Ų36.70%018%0.184CC..PPolyproline II helixtrans-62.2139.7170.8171.50000111.1Q1553 T1554 S1572 L1623Q1553-S1645 WeakPolarHBondContact CA-OG 3.03Å; Q1553-S1645 PolarHBondContact N-OG 3.42Å; T1554-S1645 CarbonylContact O-C 3.56Å; T1554-S1645 WeakPolarHBondContact O-CA 3.43Å; S1572-S1645 WeakPolarHBondContact CB-O 3.37Å; S1572-S1645 PolarHBondContact N-O 3.18Å; S1572-S1645 VanDerWaalsContact OG-CB 3.31Å; S1572-S1645 WeakPolarHBondContact OG-CB 3.28Å; S1572-S1645 PolarHBondContact OG-O 3.08Å; S1572-S1645 VanDerWaalsContact OG-O 3.1Å; S1572-S1645 PolarHBondContact OG-OG 2.83Å; L1623-S1645 VanDerWaalsContact O-CB 3.22Å; L1623-S1645 WeakPolarHBondContact O-CB 3.3Å; L1623-S1645 PolarHBondContact O-N 2.91Å
1646R96.9Very high91.6Very high32 Ų3236.6 Ų36.612%0.12118%0.183CC..EExtended strand (participates in β ladder)trans-83.7162.3163.1-62-68.6-69.2168.7-0.5111.4S1552 T1554 A1555 I1557 D1569 G1570 Y1571 S1572S1552-R1646 PolarHBondContact N-O 2.03Å; S1552-R1646 PolarHBondContact OG-O 3.28Å; S1552-R1646 VanDerWaalsContact OG-O 3.09Å; T1554-R1646 PolarHBondContact O-N 3.09Å; A1555-R1646 WeakPolarHBondContact O-CG 3.4Å; I1557-R1646 HydrophobicContact CG1-CB 4.15Å; I1557-R1646 HydrophobicContact CG1-CG 4.14Å; D1569-R1646 IonicContact OD2-CZ 3.66Å; D1569-R1646 IonicContact OD2-NH2 3.66Å; D1569-R1646 PolarHBondContact OD2-NH2 3.01Å; G1570-R1646 VanDerWaalsContact C-CZ 3.45Å; G1570-R1646 CarbonylContact O-C 3.58Å; G1570-R1646 VanDerWaalsContact O-CA 3.25Å; G1570-R1646 WeakPolarHBondContact O-CA 3.16Å; G1570-R1646 WeakPolarHBondContact O-CD 3.5Å; G1570-R1646 PolarHBondContact O-NE 2.82Å; G1570-R1646 VanDerWaalsContact O-NE 3.14Å; G1570-R1646 PolarHBondContact O-NH1 2.9Å; Y1571-R1646 VanDerWaalsContact CE1-NH1 3.32Å; S1572-R1646 PolarHBondContact OG-O 2.94Å; S1572-R1646 VanDerWaalsContact OG-O 3.1Å
1647C97.6Very high91.8Very high0 Ų038.6 Ų38.60%018%0.184CC..EExtended strand (participates in β ladder)trans-142163.8176.657.50000110.7T1549 V1550 H1551 D1569 G1570 Y1571 C1593T1549-C1647 HydrophobicContact CG2-CB 3.91Å; V1550-C1647 CarbonylContact O-C 3.3Å; V1550-C1647 WeakPolarHBondContact O-CA 3.44Å; V1550-C1647 WeakPolarHBondContact O-CB 3.16Å; H1551-C1647 WeakPolarHBondContact ND1-CB 3.46Å; D1569-C1647 VanDerWaalsContact CA-O 3.26Å; D1569-C1647 WeakPolarHBondContact CA-O 3.42Å; D1569-C1647 WeakPolarHBondContact CB-O 3.31Å; G1570-C1647 PolarHBondContact N-O 2.03Å; G1570-C1647 PolarHBondContact O-N 2.83Å; G1570-C1647 PolarHBondContact O-SG 2.86Å; G1570-C1647 VanDerWaalsContact O-SG 3.37Å; Y1571-C1647 VanDerWaalsContact C-SG 3.5Å; C1593-C1647 WeakPolarHBondContact CA-SG 3.07Å; C1593-C1647 HydrophobicContact CB-CB 3.94Å; C1593-C1647 WeakPolarHBondContact CB-SG 3.18Å; C1593-C1647 WeakPolarHBondContact SG-CB 3.39Å; C1593-C1647 CovalentContact SG-SG 2.04Å; C1593-C1647 PolarHBondContact SG-SG 2.93Å
1648A97.7Very high92.5Very high0 Ų037.5 Ų37.50%018%0.175CC..EExtended strand (participates in β ladder)trans-136.7140.2170.300000109.8T1549 V1550 I1557 P1558 K1566 W1568 D1569T1549-A1648 WeakPolarHBondContact CA-O 3.16Å; V1550-A1648 PolarHBondContact N-O 2.81Å; V1550-A1648 PolarHBondContact O-N 3.29Å; I1557-A1648 HydrophobicContact CG2-CB 4.49Å; P1558-A1648 HydrophobicContact CG-CB 3.98Å; P1558-A1648 WeakPolarHBondContact O-CB 3.45Å; K1566-A1648 HydrophobicContact CD-CB 4.23Å; K1566-A1648 HydrophobicContact CG-CB 4.31Å; W1568-A1648 WeakPolarHBondContact O-CA 3.34Å; D1569-A1648 HydrophobicContact CB-CB 4.26Å
1649V97.7Very high93.2Very high0 Ų034.5 Ų34.50%016%0.156CC..EExtended strand (participates in β ladder)trans-100.1130.7174.7-175.20000109.2L1567 W1568 P1590 C1593L1567-V1649 PolarHBondContact N-O 3.42Å; W1568-V1649 HydrophobicContact CD2-CB 3.92Å; W1568-V1649 HydrophobicContact CD2-CG2 4.02Å; W1568-V1649 VanDerWaalsContact CE2-CG2 3.42Å; W1568-V1649 HydrophobicContact CE3-CB 4.11Å; W1568-V1649 HydrophobicContact CE3-CG1 4.39Å; W1568-V1649 HydrophobicContact CH2-CB 4.16Å; W1568-V1649 HydrophobicContact CH2-CG1 3.86Å; W1568-V1649 HydrophobicContact CH2-CG2 4.2Å; W1568-V1649 HydrophobicContact CZ2-CB 3.97Å; W1568-V1649 HydrophobicContact CZ2-CG1 4.09Å; W1568-V1649 HydrophobicContact CZ2-CG2 3.56Å; W1568-V1649 HydrophobicContact CZ3-CB 4.21Å; W1568-V1649 HydrophobicContact CZ3-CG1 4.01Å; W1568-V1649 PolarHBondContact O-N 3.04Å; P1590-V1649 HydrophobicContact CB-CG1 4.12Å; P1590-V1649 HydrophobicContact CB-CG2 4.45Å; P1590-V1649 HydrophobicContact CG-CG1 4.11Å; C1593-V1649 HydrophobicContact CB-CG2 3.5Å
1650C95.8Very high93.6Very high0 Ų032.6 Ų32.60%015%0.147CC..EExtended strand (participates in β ladder)trans-125.2140.7-167.9-530000110.6L1547 F1548 C1560 R1565L1547-C1650 WeakPolarHBondContact CA-O 3.29Å; F1548-C1650 HydrophobicContact CD1-CB 3.95Å; F1548-C1650 WeakPolarHBondContact CD1-O 3.41Å; F1548-C1650 HydrophobicContact CD2-CB 4.36Å; F1548-C1650 HydrophobicContact CE1-CB 3.38Å; F1548-C1650 HydrophobicContact CE2-CB 3.88Å; F1548-C1650 HydrophobicContact CG-CB 4.41Å; F1548-C1650 HydrophobicContact CZ-CB 3.36Å; F1548-C1650 PolarHBondContact N-O 3.1Å; F1548-C1650 PolarHBondContact O-N 2.85Å; C1560-C1650 VanDerWaalsContact CA-SG 3.51Å; C1560-C1650 HydrophobicContact CB-CB 3.86Å; C1560-C1650 WeakPolarHBondContact CB-SG 3.25Å; C1560-C1650 WeakPolarHBondContact SG-CB 3.43Å; C1560-C1650 CovalentContact SG-SG 2.03Å; C1560-C1650 PolarHBondContact SG-SG 3.28Å; R1565-C1650 CarbonylContact O-C 3.53Å; R1565-C1650 VanDerWaalsContact O-CA 3.28Å; R1565-C1650 WeakPolarHBondContact O-CA 3.21Å
1651E95Very high93.9Very high43 Ų4334 Ų3420%0.20116%0.157CC..EExtended strand (participates in β ladder)trans-95.4122.6173.3-177.1-171.8175.900109.3N1543 L1547 T1564 R1565 L1567N1543-E1651 PolarHBondContact ND2-OE1 3.32Å; L1547-E1651 HydrophobicContact CD2-CB 4.28Å; L1547-E1651 HydrophobicContact CD2-CG 4.48Å; T1564-E1651 CarbonylContact C-O 3.6Å; T1564-E1651 VanDerWaalsContact CA-O 3.24Å; T1564-E1651 WeakPolarHBondContact CA-O 3Å; T1564-E1651 VanDerWaalsContact CB-O 3.28Å; T1564-E1651 WeakPolarHBondContact CB-O 3.29Å; R1565-E1651 HydrophobicContact CB-CB 4.33Å; R1565-E1651 PolarHBondContact N-O 2.85Å; R1565-E1651 IonicContact NH1-OE2 2.67Å; R1565-E1651 PolarHBondContact NH1-OE2 2.89Å; R1565-E1651 PolarHBondContact O-N 2.92Å; L1567-E1651 HydrophobicContact CD1-CB 4.29Å; L1567-E1651 HydrophobicContact CD2-CB 4.15Å; L1567-E1651 HydrophobicContact CG-CB 4.22Å
1652A91.7Very high94.2Very high0 Ų033.3 Ų33.30%015%0.154CC..EExtended strand (participates in β ladder)trans-113.9158.3177.100000112.4H1546 F1548 T1564 L1656 M1768H1546-A1652 PolarHBondContact N-O 2.84Å; H1546-A1652 PolarHBondContact O-N 2.67Å; F1548-A1652 HydrophobicContact CD1-CB 3.99Å; F1548-A1652 HydrophobicContact CE1-CB 3.73Å; T1564-A1652 HydrophobicContact CG2-CB 4Å; A1652-L1656 HydrophobicContact CB-CD1 3.61Å; A1652-M1768 HydrophobicContact CB-SD 3.69Å
1653S87.8Confident94.2Very high35 Ų3531.1 Ų31.125%0.24515%0.15CC..SBendtrans-84.8-12.9179.758.20000114.8N1543 T1544N1543-S1653 WeakPolarHBondContact OD1-CA 3.37Å; N1543-S1653 WeakPolarHBondContact OD1-CB 3.39Å; T1544-S1653 PolarHBondContact OG1-O 2.92Å
1654S89.2Confident94.1Very high13 Ų1334 Ų349%0.09117%0.167CC..SBendtrans-148.6171175.974.80000110.7M1768 R1769S1654-M1768 VanDerWaalsContact OG-CG 3.24Å; S1654-M1768 WeakPolarHBondContact OG-CG 3.36Å; S1654-R1769 WeakPolarHBondContact CB-O 2.92Å; S1654-R1769 PolarHBondContact OG-N 3.3Å; S1654-R1769 VanDerWaalsContact OG-N 3.14Å; S1654-R1769 PolarHBondContact OG-O 3.09Å
1655K89Confident94.1Very high114 Ų11439.1 Ų39.150%0.49619%0.189SC..  trans-68.3138.3176.4-69.3-170.1178-176.40111.1H1546 Y1657 W1673H1546-K1655 PolarHBondContact CD2-N 3.01Å; K1655-Y1657 HydrophobicContact CB-CE2 3.93Å; K1655-W1673 WeakPolarHBondContact O-CZ3 3.16Å
1656L92.9Very high94Very high17 Ų1743.5 Ų43.59%0.08921%0.211CC..EExtended strand (participates in β ladder)trans-91.5149.1168.8-69.168.8000109.9F1548 A1652 L1676 W1677 P1700 V1766 C1767 M1768F1548-L1656 HydrophobicContact CB-CD2 4.05Å; F1548-L1656 HydrophobicContact CD1-CD1 3.77Å; F1548-L1656 HydrophobicContact CD1-CD2 3.79Å; F1548-L1656 HydrophobicContact CD1-CG 4.48Å; F1548-L1656 HydrophobicContact CD2-CD2 3.43Å; F1548-L1656 VanDerWaalsContact CD2-CD2 3.43Å; F1548-L1656 HydrophobicContact CE1-CD1 4.12Å; F1548-L1656 HydrophobicContact CE1-CD2 4.04Å; F1548-L1656 HydrophobicContact CE2-CD2 3.68Å; F1548-L1656 HydrophobicContact CG-CD1 4.17Å; F1548-L1656 HydrophobicContact CG-CD2 3.47Å; F1548-L1656 VanDerWaalsContact CG-CD2 3.47Å; F1548-L1656 HydrophobicContact CG-CG 4.48Å; F1548-L1656 HydrophobicContact CZ-CD2 3.97Å; A1652-L1656 HydrophobicContact CB-CD1 3.61Å; L1656-L1676 HydrophobicContact CD2-CD1 3.52Å; L1656-L1676 HydrophobicContact CG-CD1 3.87Å; L1656-W1677 HydrophobicContact CD2-CH2 4.29Å; L1656-W1677 HydrophobicContact CD2-CZ3 4.28Å; L1656-P1700 HydrophobicContact CB-CG 3.65Å; L1656-P1700 HydrophobicContact CD2-CG 4.1Å; L1656-V1766 HydrophobicContact CB-CG1 4.22Å; L1656-V1766 HydrophobicContact CD2-CG1 4Å; L1656-V1766 HydrophobicContact CG-CG1 4.49Å; L1656-C1767 VanDerWaalsContact CA-O 3.31Å; L1656-C1767 WeakPolarHBondContact CA-O 3.02Å; L1656-M1768 HydrophobicContact CD1-CG 4.21Å; L1656-M1768 HydrophobicContact CD1-SD 4.17Å; L1656-M1768 HydrophobicContact CG-CB 4.27Å; L1656-M1768 HydrophobicContact CG-CG 4.41Å
1657Y95.9Very high94Very high89 Ų8943.1 Ų43.135%0.34921%0.213SC..EExtended strand (participates in β ladder)trans-138.6148.2167.1-67.6-80.9000111.2K1655 W1673 A1698 V1766 C1767K1655-Y1657 HydrophobicContact CB-CE2 3.93Å; Y1657-W1673 AromaticContact CD2-CH2 3.59Å; Y1657-W1673 HydrophobicContact CD2-CH2 3.59Å; Y1657-W1673 AromaticContact CD2-CZ3 3.74Å; Y1657-W1673 HydrophobicContact CD2-CZ3 3.74Å; Y1657-W1673 AromaticContact CE2-CH2 3.94Å; Y1657-W1673 HydrophobicContact CE2-CH2 3.94Å; Y1657-W1673 HydrophobicContact CE2-CZ3 4.45Å; Y1657-A1698 CarbonylContact C-O 3.4Å; Y1657-A1698 VanDerWaalsContact CA-O 3.27Å; Y1657-A1698 WeakPolarHBondContact CA-O 3.42Å; Y1657-A1698 HydrophobicContact CD1-CB 4.12Å; Y1657-A1698 WeakPolarHBondContact CD1-O 3.22Å; Y1657-V1766 WeakPolarHBondContact O-CA 3.23Å; Y1657-C1767 PolarHBondContact N-O 3.11Å; Y1657-C1767 PolarHBondContact O-N 3.26Å
1658A97.5Very high93.9Very high7 Ų748.7 Ų48.76%0.05824%0.238CC..EExtended strand (participates in β ladder)trans-85.4138.5165.400000110.7A1698 S1699 S1702 C1703 V1766A1658-A1698 PolarHBondContact N-O 3.04Å; A1658-S1699 WeakPolarHBondContact CB-O 3.31Å; A1658-S1702 WeakPolarHBondContact CB-OG 3.31Å; A1658-C1703 HydrophobicContact CB-CB 4.02Å; A1658-V1766 HydrophobicContact CB-CG2 4.34Å
1659F97.7Very high93.8Very high67 Ų6749.7 Ų49.729%0.29424%0.244SC..EExtended strand (participates in β ladder)trans-117.5137.1170-68.4-95.1000108.5P1667 P1670 C1764 A1765 C1767F1659-P1667 HydrophobicContact CB-CG 4.35Å; F1659-P1667 VanDerWaalsContact O-CG 3.24Å; F1659-P1667 WeakPolarHBondContact O-CG 3.45Å; F1659-P1670 HydrophobicContact CD1-CG 4.38Å; F1659-P1670 HydrophobicContact CE1-CG 3.64Å; F1659-P1670 HydrophobicContact CE2-CG 4.07Å; F1659-P1670 HydrophobicContact CZ-CG 3.46Å; F1659-P1670 VanDerWaalsContact CZ-CG 3.46Å; F1659-C1764 CarbonylContact O-C 3.54Å; F1659-C1764 WeakPolarHBondContact O-CA 3.41Å; F1659-C1764 WeakPolarHBondContact O-CB 3.18Å; F1659-A1765 PolarHBondContact N-O 3.47Å; F1659-A1765 PolarHBondContact O-N 3.24Å; F1659-C1767 HydrophobicContact CD2-CB 3.94Å; F1659-C1767 VanDerWaalsContact CD2-SG 3.53Å; F1659-C1767 HydrophobicContact CE2-CB 3.88Å
1660H96.7Very high93.7Very high43 Ų4352 Ų5220%0.19926%0.259CS..EExtended strand (participates in β ladder)trans-118.1136-176.5-65.1-87000110.1S1681 L1697 S1702 L1732 C1764H1660-S1681 WeakPolarHBondContact ND1-CB 3.41Å; H1660-S1681 PolarHBondContact ND1-OG 2.98Å; H1660-L1697 PolarHBondContact CD2-O 3.13Å; H1660-L1697 PolarHBondContact NE2-O 3.46Å; H1660-S1702 PolarHBondContact CE1-OG 3.35Å; H1660-S1702 VanDerWaalsContact CE1-OG 3.28Å; H1660-S1702 PolarHBondContact NE2-OG 3.36Å; H1660-L1732 HydrophobicContact CB-CD1 3.9Å; H1660-C1764 WeakPolarHBondContact ND1-CB 3.31Å
1661S93.6Very high93.5Very high30 Ų3059.9 Ų59.921%0.2130%0.301CS..  trans-96.1-13.2-177.465.30000114.7T1663 K1665 K1763S1661-T1663 WeakPolarHBondContact CB-OG1 3.46Å; S1661-T1663 PolarHBondContact O-N 3.49Å; S1661-T1663 PolarHBondContact O-OG1 2.71Å; S1661-T1663 PolarHBondContact OG-N 3.13Å; S1661-T1663 PolarHBondContact OG-O 2.96Å; S1661-T1663 VanDerWaalsContact OG-O 3.09Å; S1661-T1663 PolarHBondContact OG-OG1 3.01Å; S1661-K1665 WeakPolarHBondContact CB-O 3.17Å; S1661-K1665 PolarHBondContact OG-O 3.43Å; S1661-K1763 PolarHBondContact N-O 2.78Å; S1661-K1763 PolarHBondContact OG-O 3.07Å; S1661-K1763 VanDerWaalsContact OG-O 3.12Å
1662Q91.6Very high93.1Very high99 Ų9960 Ų6046%0.46331%0.314SS..SBendtrans47.723.6-167.8-68.1-179.3-120.300114.2L1732 V1734 M1735Q1662-L1732 HydrophobicContact CG-CD1 4.46Å; Q1662-V1734 CarbonylContact O-C 3.5Å; Q1662-V1734 WeakPolarHBondContact O-CA 3.14Å; Q1662-M1735 HydrophobicContact CB-CG 4.46Å; Q1662-M1735 PolarHBondContact O-N 2.69Å
1663T91.1Very high93.2Very high40 Ų4062.9 Ų62.925%0.24533%0.325CS..SBendtrans-140174.5-179.855.80000110S1661 K1665 G1762 K1763S1661-T1663 WeakPolarHBondContact CB-OG1 3.46Å; S1661-T1663 PolarHBondContact O-N 3.49Å; S1661-T1663 PolarHBondContact O-OG1 2.71Å; S1661-T1663 PolarHBondContact OG-N 3.13Å; S1661-T1663 PolarHBondContact OG-O 2.96Å; S1661-T1663 VanDerWaalsContact OG-O 3.09Å; S1661-T1663 PolarHBondContact OG-OG1 3.01Å; T1663-K1665 PolarHBondContact O-N 2.85Å; T1663-G1762 WeakPolarHBondContact O-CA 3.31Å; T1663-K1763 PolarHBondContact O-N 2.85Å
1664L91Very high93.4Very high84 Ų8463 Ų6344%0.4433%0.325SS..SBendtrans-74.2-11.3174.9-69.1177000114V1734 Q1758 K1763L1664-V1734 HydrophobicContact CD2-CG2 3.67Å; L1664-V1734 HydrophobicContact CG-CG1 4.34Å; L1664-V1734 HydrophobicContact CG-CG2 3.82Å; L1664-Q1758 WeakPolarHBondContact CD2-O 3.24Å; L1664-K1763 VanDerWaalsContact O-CG 3.26Å; L1664-K1763 WeakPolarHBondContact O-CG 3.19Å
1665K93Very high93.6Very high108 Ų10866.2 Ų66.247%0.4735%0.345SS..SBendtrans-80.7128177.3-172.1172.5176.6178.90109.1Y259 S1661 T1663Y259-K1665 VanDerWaalsContact CD1-CE 3.49Å; S1661-K1665 WeakPolarHBondContact CB-O 3.17Å; S1661-K1665 PolarHBondContact OG-O 3.43Å; T1663-K1665 PolarHBondContact O-N 2.85Å
1666I95.3Very high93.8Very high92 Ų9262.4 Ų62.447%0.47233%0.329SS..PPolyproline II helixtrans-64.4129.4173-63.8163.6000107.9P1678 K1763 A1765I1666-P1678 HydrophobicContact CD1-CB 3.78Å; I1666-P1678 HydrophobicContact CD1-CG 4.47Å; I1666-P1678 HydrophobicContact CG1-CB 4.26Å; I1666-P1678 HydrophobicContact CG2-CB 3.96Å; I1666-K1763 HydrophobicContact CG1-CB 4.09Å; I1666-K1763 HydrophobicContact CG1-CG 4.36Å; I1666-A1765 HydrophobicContact CG2-CB 4.12Å
1667P95.8Very high93.8Very high24 Ų2463 Ų6316%0.15633%0.331CS..PPolyproline II helixtrans-67.3141.5177.625.5-28.6000110.4F1659 A1765F1659-P1667 HydrophobicContact CB-CG 4.35Å; F1659-P1667 VanDerWaalsContact O-CG 3.24Å; F1659-P1667 WeakPolarHBondContact O-CG 3.45Å; P1667-A1765 HydrophobicContact CG-CB 4.09Å; P1667-A1765 WeakPolarHBondContact O-CB 3.31Å
1668K95.8Very high93.8Very high118 Ų11862 Ų6251%0.51334%0.335SS..PPolyproline II helixtrans-71.6143.3167.6-69-175.9-178.5168.40108.8S258 Y259S258-K1668 PolarHBondContact OG-NZ 3.42Å; Y259-K1668 WeakPolarHBondContact OH-CD 3.28Å; Y259-K1668 WeakPolarHBondContact OH-CE 3.24Å; Y259-K1668 PolarHBondContact OH-NZ 3.24Å
1669C95.8Very high93.6Very high20 Ų2062 Ų6214%0.13534%0.336CS..PPolyproline II helixtrans-65153.7166.7-65.40000110.6W1673 T1675 C1767C1669-W1673 HydrophobicContact CB-CB 4.01Å; C1669-T1675 VanDerWaalsContact SG-CA 3.57Å; C1669-T1675 PolarHBondContact SG-OG1 2.63Å; C1669-C1767 WeakPolarHBondContact CA-SG 3.33Å; C1669-C1767 HydrophobicContact CB-CB 3.72Å; C1669-C1767 WeakPolarHBondContact CB-SG 3.41Å; C1669-C1767 WeakPolarHBondContact SG-CB 3.49Å; C1669-C1767 CovalentContact SG-SG 2.03Å; C1669-C1767 PolarHBondContact SG-SG 3.4Å
1670P94.8Very high93.5Very high49 Ų4959.3 Ų59.332%0.31833%0.325SS..PPolyproline II helixtrans-62.9158.6174-18.330.9000112.2F1659 G1672 W1673F1659-P1670 HydrophobicContact CD1-CG 4.38Å; F1659-P1670 HydrophobicContact CE1-CG 3.64Å; F1659-P1670 HydrophobicContact CE2-CG 4.07Å; F1659-P1670 HydrophobicContact CZ-CG 3.46Å; F1659-P1670 VanDerWaalsContact CZ-CG 3.46Å; P1670-G1672 PolarHBondContact O-N 3.46Å; P1670-W1673 HydrophobicContact CB-CG 4.41Å; P1670-W1673 VanDerWaalsContact O-CB 3.31Å; P1670-W1673 WeakPolarHBondContact O-CB 3.46Å; P1670-W1673 PolarHBondContact O-N 3.07Å; P1670-W1673 VanDerWaalsContact O-N 3.09Å
1671D91.5Very high93.5Very high166 Ų16657.2 Ų57.289%0.88832%0.316SS*.THydrogen-bonded Turntrans-60.6134.3179.8-60.2-59.9000111.9
1672G88.1Confident93.5Very high45 Ų4555.8 Ų55.846%0.46431%0.306SS..THydrogen-bonded Turntrans80.916.8-171.200000115.1P1670 T1770P1670-G1672 PolarHBondContact O-N 3.46Å; G1672-T1770 PolarHBondContact O-N 3.47Å; G1672-T1770 PolarHBondContact O-OG1 3.21Å
1673W92.9Very high93.7Very high61 Ų6155.1 Ų55.123%0.23130%0.302CS..EExtended strand (participates in β ladder)trans-123.7141.4173.5-60.265.9000111.5K1655 Y1657 C1669 P1670 C1767 M1768 R1769K1655-W1673 WeakPolarHBondContact O-CZ3 3.16Å; Y1657-W1673 AromaticContact CD2-CH2 3.59Å; Y1657-W1673 HydrophobicContact CD2-CH2 3.59Å; Y1657-W1673 AromaticContact CD2-CZ3 3.74Å; Y1657-W1673 HydrophobicContact CD2-CZ3 3.74Å; Y1657-W1673 AromaticContact CE2-CH2 3.94Å; Y1657-W1673 HydrophobicContact CE2-CH2 3.94Å; Y1657-W1673 HydrophobicContact CE2-CZ3 4.45Å; C1669-W1673 HydrophobicContact CB-CB 4.01Å; P1670-W1673 HydrophobicContact CB-CG 4.41Å; P1670-W1673 VanDerWaalsContact O-CB 3.31Å; P1670-W1673 WeakPolarHBondContact O-CB 3.46Å; P1670-W1673 PolarHBondContact O-N 3.07Å; P1670-W1673 VanDerWaalsContact O-N 3.09Å; W1673-C1767 HydrophobicContact CB-CB 4.26Å; W1673-C1767 HydrophobicContact CE3-CB 4.05Å; W1673-M1768 CarbonylContact C-O 3.39Å; W1673-M1768 VanDerWaalsContact CA-O 3.26Å; W1673-M1768 WeakPolarHBondContact CA-O 3.44Å; W1673-R1769 HydrophobicContact CD2-CB 3.79Å; W1673-R1769 HydrophobicContact CD2-CG 4.21Å; W1673-R1769 HydrophobicContact CE3-CB 3.85Å; W1673-R1769 HydrophobicContact CG-CB 4.46Å; W1673-R1769 HydrophobicContact CH2-CB 3.85Å; W1673-R1769 HydrophobicContact CZ2-CB 3.84Å; W1673-R1769 HydrophobicContact CZ2-CG 4.1Å; W1673-R1769 HydrophobicContact CZ3-CB 3.86Å
1674S91.7Very high93.8Very high36 Ų3655.9 Ų55.925%0.25230%0.303SS..EExtended strand (participates in β ladder)trans-94138.7171.555.80000111.2C1767 M1768S1674-C1767 CarbonylContact O-C 3.6Å; S1674-C1767 VanDerWaalsContact O-CA 3.31Å; S1674-C1767 WeakPolarHBondContact O-CA 2.93Å; S1674-M1768 PolarHBondContact N-O 3.47Å; S1674-M1768 PolarHBondContact O-N 3.23Å; S1674-M1768 PolarHBondContact OG-O 2.82Å
1675T93.5Very high93.8Very high81 Ų8151.9 Ų51.950%0.49728%0.282SS..EExtended strand (participates in β ladder)trans-72.4127.3168.5-460000109.6C1669 A1765C1669-T1675 VanDerWaalsContact SG-CA 3.57Å; C1669-T1675 PolarHBondContact SG-OG1 2.63Å; T1675-A1765 HydrophobicContact CG2-CB 4.26Å
1676L93Very high93.8Very high34 Ų3447.8 Ų47.818%0.17827%0.266CS..EExtended strand (participates in β ladder)trans-94.4-47.3173.1-60.2-172.6000111.8P1561 L1656 V1766 M1768P1561-L1676 HydrophobicContact CB-CB 4.25Å; P1561-L1676 HydrophobicContact CB-CD1 4.35Å; P1561-L1676 HydrophobicContact CB-CD2 3.99Å; P1561-L1676 HydrophobicContact CB-CG 4.43Å; P1561-L1676 HydrophobicContact CG-CB 4.2Å; P1561-L1676 HydrophobicContact CG-CD1 4.32Å; L1656-L1676 HydrophobicContact CD2-CD1 3.52Å; L1656-L1676 HydrophobicContact CG-CD1 3.87Å; L1676-V1766 PolarHBondContact N-O 2.65Å; L1676-M1768 HydrophobicContact CD1-CB 3.85Å; L1676-M1768 HydrophobicContact CD1-SD 4.31Å; L1676-M1768 HydrophobicContact CD2-CB 4.18Å; L1676-M1768 HydrophobicContact CD2-CE 4.35Å; L1676-M1768 HydrophobicContact CG-CB 3.98Å
1677W93.4Very high93.5Very high30 Ų3043.5 Ų43.511%0.11424%0.244CC..EExtended strand (participates in β ladder)trans-152.7146169.96595.1000112.6F1548 V1550 P1561 L1656 P1700 C1703 A1765 V1766F1548-W1677 AromaticContact CD2-CH2 3.99Å; F1548-W1677 HydrophobicContact CD2-CH2 3.99Å; F1548-W1677 HydrophobicContact CD2-CZ3 4.25Å; F1548-W1677 HydrophobicContact CE2-CH2 4.03Å; F1548-W1677 AromaticContact CE2-CZ3 3.82Å; F1548-W1677 HydrophobicContact CE2-CZ3 3.82Å; V1550-W1677 HydrophobicContact CG2-CH2 4.14Å; V1550-W1677 HydrophobicContact CG2-CZ3 4.14Å; P1561-W1677 HydrophobicContact CG-CE3 4.12Å; P1561-W1677 HydrophobicContact CG-CZ3 4.06Å; L1656-W1677 HydrophobicContact CD2-CH2 4.29Å; L1656-W1677 HydrophobicContact CD2-CZ3 4.28Å; W1677-P1700 HydrophobicContact CH2-CB 3.94Å; W1677-P1700 HydrophobicContact CZ2-CB 3.83Å; W1677-C1703 PolarHBondContact NE1-O 2.57Å; W1677-A1765 WeakPolarHBondContact O-CA 3.26Å; W1677-V1766 HydrophobicContact CD2-CB 3.89Å; W1677-V1766 HydrophobicContact CD2-CG1 4.48Å; W1677-V1766 HydrophobicContact CD2-CG2 4.08Å; W1677-V1766 VanDerWaalsContact CE2-CG2 3.44Å; W1677-V1766 HydrophobicContact CE3-CB 4.15Å; W1677-V1766 HydrophobicContact CE3-CG1 4.31Å; W1677-V1766 HydrophobicContact CG-CB 4.45Å; W1677-V1766 HydrophobicContact CH2-CB 4.18Å; W1677-V1766 HydrophobicContact CH2-CG1 3.8Å; W1677-V1766 HydrophobicContact CH2-CG2 4.27Å; W1677-V1766 HydrophobicContact CZ2-CB 3.94Å; W1677-V1766 HydrophobicContact CZ2-CG1 3.99Å; W1677-V1766 HydrophobicContact CZ2-CG2 3.58Å; W1677-V1766 HydrophobicContact CZ3-CB 4.26Å; W1677-V1766 HydrophobicContact CZ3-CG1 3.95Å; W1677-V1766 PolarHBondContact O-N 2.78Å
1678P95.4Very high93.1Very high67 Ų6746.5 Ų46.544%0.43525%0.253SS..EExtended strand (participates in β ladder)trans-81.2161.3162.435.9-34.3000110.9I1666 C1764I1666-P1678 HydrophobicContact CD1-CB 3.78Å; I1666-P1678 HydrophobicContact CD1-CG 4.47Å; I1666-P1678 HydrophobicContact CG1-CB 4.26Å; I1666-P1678 HydrophobicContact CG2-CB 3.96Å; P1678-C1764 CarbonylContact C-O 3.59Å; P1678-C1764 WeakPolarHBondContact CA-O 3.17Å
1679G94.7Very high92.7Very high8 Ų843.4 Ų43.48%0.08226%0.255CS..EExtended strand (participates in β ladder)trans-163.7-167.4177.700000114.4L1704 K1763 C1764G1679-L1704 CarbonylContact C-O 3.06Å; G1679-L1704 VanDerWaalsContact CA-O 3.22Å; G1679-L1704 WeakPolarHBondContact CA-O 3.13Å; G1679-K1763 WeakPolarHBondContact O-CA 3.5Å; G1679-C1764 PolarHBondContact N-O 2.85Å; G1679-C1764 PolarHBondContact O-N 2.74Å; G1679-C1764 PolarHBondContact O-SG 2.91Å
1680S95Very high92.2Very high10 Ų1046.1 Ų46.17%0.0728%0.279CS..EExtended strand (participates in β ladder)trans-111.2140.6173.3-64.40000110.8F1682 L1704 C1764S1680-F1682 PolarHBondContact O-N 3.27Å; S1680-L1704 PolarHBondContact N-O 3.14Å; S1680-L1704 PolarHBondContact O-N 3Å; S1680-C1764 VanDerWaalsContact C-SG 3.56Å
1681S96.2Very high91.9Very high0 Ų047 Ų470%028%0.279CS..EExtended strand (participates in β ladder)trans-76.589.9-169.2-56.20000112.6H1660 S1702 W1731 L1732 G1762 K1763H1660-S1681 WeakPolarHBondContact ND1-CB 3.41Å; H1660-S1681 PolarHBondContact ND1-OG 2.98Å; S1681-S1702 CarbonylContact C-O 3.56Å; S1681-W1731 CarbonylContact O-C 3.47Å; S1681-W1731 WeakPolarHBondContact O-CA 3.45Å; S1681-W1731 WeakPolarHBondContact O-CB 3.36Å; S1681-L1732 PolarHBondContact O-N 3.25Å; S1681-G1762 WeakPolarHBondContact CB-O 3.47Å; S1681-G1762 PolarHBondContact N-O 3.37Å; S1681-G1762 PolarHBondContact OG-O 3.31Å; S1681-K1763 PolarHBondContact OG-O 2.79Å
1682F95.1Very high91.7Very high0 Ų040.3 Ų40.30%025%0.249CC..EExtended strand (participates in β ladder)trans-80.6135.2173.6175.3-128.1000110.5L1587 S1680 M1684 N1685 Q1695 S1702 L1704 M1711 F1730 W1731L1587-F1682 HydrophobicContact CD1-CD1 4.03Å; L1587-F1682 HydrophobicContact CD1-CE1 3.85Å; S1680-F1682 PolarHBondContact O-N 3.27Å; F1682-M1684 VanDerWaalsContact CE2-C 3.43Å; F1682-M1684 WeakPolarHBondContact CE2-O 3.39Å; F1682-N1685 HydrophobicContact CE2-CB 4.3Å; F1682-N1685 HydrophobicContact CZ-CB 4.06Å; F1682-Q1695 HydrophobicContact CD1-CG 3.52Å; F1682-Q1695 HydrophobicContact CE1-CG 3.36Å; F1682-Q1695 HydrophobicContact CZ-CG 4.34Å; F1682-S1702 PolarHBondContact N-O 3.01Å; F1682-S1702 WeakPolarHBondContact O-CA 3.42Å; F1682-S1702 VanDerWaalsContact O-CB 3.31Å; F1682-S1702 WeakPolarHBondContact O-CB 3.03Å; F1682-L1704 HydrophobicContact CB-CD1 3.95Å; F1682-L1704 HydrophobicContact CB-CG 4.2Å; F1682-L1704 HydrophobicContact CD1-CD1 3.87Å; F1682-L1704 HydrophobicContact CD1-CG 4.35Å; F1682-L1704 HydrophobicContact CG-CD1 3.93Å; F1682-M1711 HydrophobicContact CD1-CE 4.43Å; F1682-M1711 HydrophobicContact CD1-SD 4.19Å; F1682-M1711 HydrophobicContact CD2-CE 3.94Å; F1682-M1711 HydrophobicContact CD2-SD 3.55Å; F1682-M1711 VanDerWaalsContact CD2-SD 3.55Å; F1682-M1711 HydrophobicContact CE1-CE 3.83Å; F1682-M1711 HydrophobicContact CE1-SD 4.19Å; F1682-M1711 HydrophobicContact CE2-CE 3.26Å; F1682-M1711 HydrophobicContact CE2-SD 3.56Å; F1682-M1711 VanDerWaalsContact CE2-SD 3.56Å; F1682-M1711 HydrophobicContact CG-SD 3.92Å; F1682-M1711 HydrophobicContact CZ-CE 3.22Å; F1682-M1711 HydrophobicContact CZ-SD 3.92Å; F1682-F1730 WeakPolarHBondContact CD2-O 3.42Å; F1682-W1731 HydrophobicContact CB-CE3 3.91Å; F1682-W1731 HydrophobicContact CB-CH2 4.26Å; F1682-W1731 HydrophobicContact CB-CZ3 3.74Å
1683F94.4Very high91.6Very high85 Ų8539 Ų3937%0.37324%0.235SC..EExtended strand (participates in β ladder)trans-117.6-52.2-177.8177.2-122.9000113.3G1694 Q1695 L1697 F1730 L1732F1683-G1694 CarbonylContact O-C 3.2Å; F1683-G1694 WeakPolarHBondContact O-CA 3.45Å; F1683-Q1695 PolarHBondContact O-N 3.23Å; F1683-L1697 HydrophobicContact CB-CD2 4.46Å; F1683-L1697 HydrophobicContact CD2-CD1 4.15Å; F1683-L1697 HydrophobicContact CD2-CD2 3.8Å; F1683-L1697 HydrophobicContact CD2-CG 3.93Å; F1683-L1697 HydrophobicContact CE2-CD1 4.32Å; F1683-L1697 HydrophobicContact CE2-CG 4.31Å; F1683-F1730 PolarHBondContact N-O 3Å; F1683-L1732 HydrophobicContact CB-CD2 4.39Å
1684M93.7Very high91.4Very high55 Ų5538.1 Ų38.127%0.27125%0.246SC..EExtended strand (participates in β ladder)trans-158.6160.9-179.464.3176.2-71.700112.8F1682 T1686 G1693 F1730F1682-M1684 VanDerWaalsContact CE2-C 3.43Å; F1682-M1684 WeakPolarHBondContact CE2-O 3.39Å; M1684-T1686 HydrophobicContact CE-CG2 3.95Å; M1684-G1693 VanDerWaalsContact CA-O 3.27Å; M1684-G1693 WeakPolarHBondContact CA-O 3.24Å; M1684-G1693 VanDerWaalsContact CB-O 3.24Å; M1684-G1693 WeakPolarHBondContact CB-O 3.06Å; M1684-F1730 HydrophobicContact CE-CD2 4.47Å; M1684-F1730 HydrophobicContact CE-CE2 4.47Å; M1684-F1730 HydrophobicContact CG-CB 3.55Å; M1684-F1730 HydrophobicContact CG-CD2 3.71Å; M1684-F1730 HydrophobicContact CG-CG 3.73Å; M1684-F1730 PolarHBondContact N-O 2.95Å; M1684-F1730 WeakPolarHBondContact O-CB 3.23Å; M1684-F1730 WeakPolarHBondContact O-CD2 3.37Å; M1684-F1730 PolarHBondContact O-N 2.64Å; M1684-F1730 HydrophobicContact SD-CD2 4.46Å; M1684-F1730 HydrophobicContact SD-CG 4.45Å
1685N91.8Very high91.5Very high1 Ų136.8 Ų36.81%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-129.2154.117372.8-67.3000111.9L1574 F1682 G1692 G1693 M1711 F1712 K1728L1574-N1685 WeakPolarHBondContact CD2-ND2 3.48Å; F1682-N1685 HydrophobicContact CE2-CB 4.3Å; F1682-N1685 HydrophobicContact CZ-CB 4.06Å; N1685-G1692 WeakPolarHBondContact O-CA 3.2Å; N1685-G1693 PolarHBondContact N-O 3.28Å; N1685-G1693 PolarHBondContact O-N 2.59Å; N1685-G1693 PolarHBondContact OD1-O 2.78Å; N1685-M1711 HydrophobicContact CB-CE 4.13Å; N1685-F1712 HydrophobicContact CB-CD1 3.88Å; N1685-F1712 HydrophobicContact CB-CE1 3.69Å; N1685-K1728 WeakPolarHBondContact CA-O 3.4Å
1686T92.4Very high91.6Very high21 Ų2139.5 Ų39.513%0.12924%0.242CC..EExtended strand (participates in β ladder)trans-134.6133.5170.959.50000110.7M1684 Q1691 F1712 H1727 K1728 F1730M1684-T1686 HydrophobicContact CE-CG2 3.95Å; T1686-Q1691 CarbonylContact C-O 3.39Å; T1686-Q1691 WeakPolarHBondContact CA-O 3.19Å; T1686-F1712 WeakPolarHBondContact O-CZ 3.25Å; T1686-H1727 WeakPolarHBondContact O-CA 3.4Å; T1686-K1728 PolarHBondContact N-O 3.26Å; T1686-K1728 PolarHBondContact O-N 3.4Å; T1686-F1730 HydrophobicContact CG2-CE2 4.04Å
1687G88.1Confident91.7Very high2 Ų241 Ų412%0.02125%0.25CS..  trans-112.6-136.2173.600000111.9G1689 A1690 Q1691G1687-G1689 PolarHBondContact O-N 3.09Å; G1687-A1690 WeakPolarHBondContact O-CA 3.37Å; G1687-A1690 PolarHBondContact O-N 2.67Å; G1687-A1690 VanDerWaalsContact O-N 3.13Å; G1687-Q1691 PolarHBondContact N-O 2.72Å
1688Y88.8Confident91.8Very high87 Ų8742 Ų4234%0.34126%0.264SS..G310 helixtrans-54.7133.5-173.9177.2-120.5000113R1619 Y1621 A1690 Q1691 E1726R1619-Y1688 VanDerWaalsContact CZ-CD1 3.42Å; R1619-Y1688 VanDerWaalsContact NH2-CD1 3.3Å; R1619-Y1688 VanDerWaalsContact NH2-CG 3.28Å; Y1621-Y1688 WeakPolarHBondContact OH-CB 3.4Å; Y1621-Y1688 PolarHBondContact OH-N 2.89Å; Y1688-A1690 PolarHBondContact O-N 3.48Å; Y1688-Q1691 WeakPolarHBondContact O-CB 3.05Å; Y1688-Q1691 PolarHBondContact O-N 2.66Å; Y1688-E1726 WeakPolarHBondContact CA-OE2 3.19Å; Y1688-E1726 WeakPolarHBondContact CD2-OE2 3.18Å
1689G86.1Confident91.9Very high54 Ų5439.4 Ų39.456%0.55725%0.248SC*.G310 helixtrans62.122.9178.700000113.7G1687 Q1691 E1726G1687-G1689 PolarHBondContact O-N 3.09Å; G1689-Q1691 PolarHBondContact O-N 2.84Å; G1689-E1726 PolarHBondContact N-OE2 2.86Å
1690A86.8Confident91.9Very high76 Ų7639.6 Ų39.663%0.62825%0.248SC*.G310 helixtrans58.714.8-169.900000115.2G1687 Y1688G1687-A1690 WeakPolarHBondContact O-CA 3.37Å; G1687-A1690 PolarHBondContact O-N 2.67Å; G1687-A1690 VanDerWaalsContact O-N 3.13Å; Y1688-A1690 PolarHBondContact O-N 3.48Å
1691Q88.4Confident91.9Very high68 Ų6839.2 Ų39.232%0.31825%0.246SC..  trans-68.8145172.5-69-67-41.300110.7T1577 D1580 A1582 T1686 G1687 Y1688 G1689T1577-Q1691 HydrophobicContact CG2-CB 4.38Å; T1577-Q1691 HydrophobicContact CG2-CG 4.37Å; D1580-Q1691 VanDerWaalsContact O-CD 3.23Å; D1580-Q1691 WeakPolarHBondContact O-CG 3.36Å; A1582-Q1691 HydrophobicContact CB-CB 3.95Å; T1686-Q1691 CarbonylContact C-O 3.39Å; T1686-Q1691 WeakPolarHBondContact CA-O 3.19Å; G1687-Q1691 PolarHBondContact N-O 2.72Å; Y1688-Q1691 WeakPolarHBondContact O-CB 3.05Å; Y1688-Q1691 PolarHBondContact O-N 2.66Å; G1689-Q1691 PolarHBondContact O-N 2.84Å
1692G86.2Confident91.9Very high25 Ų2539.2 Ų39.226%0.25825%0.246SC..EExtended strand (participates in β ladder)trans162.1-150.5-175.300000111.5V1584 N1685V1584-G1692 WeakPolarHBondContact CG2-O 3.48Å; N1685-G1692 WeakPolarHBondContact O-CA 3.2Å
1693G87.1Confident92Very high18 Ų1839.3 Ų39.319%0.18625%0.246CC..EExtended strand (participates in β ladder)trans169.7-179.1-178.300000114M1684 N1685M1684-G1693 VanDerWaalsContact CA-O 3.27Å; M1684-G1693 WeakPolarHBondContact CA-O 3.24Å; M1684-G1693 VanDerWaalsContact CB-O 3.24Å; M1684-G1693 WeakPolarHBondContact CB-O 3.06Å; N1685-G1693 PolarHBondContact N-O 3.28Å; N1685-G1693 PolarHBondContact O-N 2.59Å; N1685-G1693 PolarHBondContact OD1-O 2.78Å
1694G88.1Confident92Very high43 Ų4335.4 Ų35.444%0.44323%0.229SC..EExtended strand (participates in β ladder)trans-110.4164.1-170.100000115.2F1683F1683-G1694 CarbonylContact O-C 3.2Å; F1683-G1694 WeakPolarHBondContact O-CA 3.45Å
1695Q93.6Very high91.9Very high7 Ų735.5 Ų35.53%0.03323%0.234CC..  trans-96.2147.3166.5-59.1-59.5-57.300109.2N1585 L1587 F1682 F1683 L1697N1585-Q1695 PolarHBondContact O-NE2 2.95Å; L1587-Q1695 HydrophobicContact CD1-CG 4.33Å; F1682-Q1695 HydrophobicContact CD1-CG 3.52Å; F1682-Q1695 HydrophobicContact CE1-CG 3.36Å; F1682-Q1695 HydrophobicContact CZ-CG 4.34Å; F1683-Q1695 PolarHBondContact O-N 3.23Å; Q1695-L1697 PolarHBondContact O-N 3.29Å
1696Q94.7Very high91.6Very high139 Ų13938.9 Ų38.965%0.6525%0.25SC*.  trans-70.4124.7170.2-59.1-172.38.500108.6A1698 S1699Q1696-A1698 PolarHBondContact O-N 3.3Å; Q1696-S1699 VanDerWaalsContact O-CB 3.27Å; Q1696-S1699 WeakPolarHBondContact O-CB 3.48Å; Q1696-S1699 PolarHBondContact O-N 3.4Å
1697L96.3Very high91.5Very high66 Ų6638.9 Ų38.935%0.34625%0.248SC..THydrogen-bonded Turntrans-64.6-11.5-179.1-69.4177.7000114.3H1660 F1683 Q1695 L1732H1660-L1697 PolarHBondContact CD2-O 3.13Å; H1660-L1697 PolarHBondContact NE2-O 3.46Å; F1683-L1697 HydrophobicContact CB-CD2 4.46Å; F1683-L1697 HydrophobicContact CD2-CD1 4.15Å; F1683-L1697 HydrophobicContact CD2-CD2 3.8Å; F1683-L1697 HydrophobicContact CD2-CG 3.93Å; F1683-L1697 HydrophobicContact CE2-CD1 4.32Å; F1683-L1697 HydrophobicContact CE2-CG 4.31Å; Q1695-L1697 PolarHBondContact O-N 3.29Å; L1697-L1732 HydrophobicContact CD1-CD1 4.23Å; L1697-L1732 HydrophobicContact CD1-CD2 4.2Å; L1697-L1732 HydrophobicContact CD2-CD1 3.95Å; L1697-L1732 HydrophobicContact CD2-CD2 4.33Å; L1697-L1732 HydrophobicContact CD2-CG 4.23Å
1698A96Very high91.3Very high49 Ų4940.5 Ų40.541%0.40525%0.253SS..THydrogen-bonded Turntrans-90-15.5170.500000112.8Y1657 A1658 Q1696Y1657-A1698 CarbonylContact C-O 3.4Å; Y1657-A1698 VanDerWaalsContact CA-O 3.27Å; Y1657-A1698 WeakPolarHBondContact CA-O 3.42Å; Y1657-A1698 HydrophobicContact CD1-CB 4.12Å; Y1657-A1698 WeakPolarHBondContact CD1-O 3.22Å; A1658-A1698 PolarHBondContact N-O 3.04Å; Q1696-A1698 PolarHBondContact O-N 3.3Å
1699S95.7Very high90.9Very high13 Ų1338.7 Ų38.79%0.09125%0.253CS..SBendtrans-80.6142.7-178.8174.60000111.3D1586 A1588 A1658 Q1696 G1701 S1702D1586-S1699 VanDerWaalsContact CG-OG 3.24Å; D1586-S1699 WeakPolarHBondContact OD1-CB 3.36Å; D1586-S1699 PolarHBondContact OD1-OG 3.33Å; D1586-S1699 WeakPolarHBondContact OD2-CB 3.12Å; D1586-S1699 PolarHBondContact OD2-OG 2.87Å; A1588-S1699 WeakPolarHBondContact CB-OG 3Å; A1658-S1699 WeakPolarHBondContact CB-O 3.31Å; Q1696-S1699 VanDerWaalsContact O-CB 3.27Å; Q1696-S1699 WeakPolarHBondContact O-CB 3.48Å; Q1696-S1699 PolarHBondContact O-N 3.4Å; S1699-G1701 PolarHBondContact O-N 3.07Å; S1699-G1701 PolarHBondContact OG-N 2.81Å; S1699-G1701 VanDerWaalsContact OG-N 3.13Å; S1699-S1702 PolarHBondContact O-N 3.28Å; S1699-S1702 PolarHBondContact O-OG 3.34Å
1700P95.9Very high90.8Very high12 Ų1238.4 Ų38.48%0.07824%0.237CC..G310 helixtrans-48-25.1166.4-27.134.1000114.9A1588 L1656 W1677 S1702 C1703 V1766A1588-P1700 HydrophobicContact CB-CB 3.81Å; A1588-P1700 HydrophobicContact CB-CG 3.96Å; L1656-P1700 HydrophobicContact CB-CG 3.65Å; L1656-P1700 HydrophobicContact CD2-CG 4.1Å; W1677-P1700 HydrophobicContact CH2-CB 3.94Å; W1677-P1700 HydrophobicContact CZ2-CB 3.83Å; P1700-S1702 VanDerWaalsContact C-N 3.3Å; P1700-S1702 PolarHBondContact O-N 2.9Å; P1700-C1703 PolarHBondContact O-N 2.99Å; P1700-V1766 HydrophobicContact CB-CG1 3.87Å; P1700-V1766 HydrophobicContact CB-CG2 4.03Å; P1700-V1766 HydrophobicContact CG-CG1 3.86Å
1701G94.9Very high91Very high3 Ų334.8 Ų34.83%0.03121%0.208CC..G310 helixtrans-65.6-23.8178.400000115.3S1699 C1703S1699-G1701 PolarHBondContact O-N 3.07Å; S1699-G1701 PolarHBondContact OG-N 2.81Å; S1699-G1701 VanDerWaalsContact OG-N 3.13Å; G1701-C1703 PolarHBondContact O-N 3.02Å
1702S96.9Very high91.2Very high0 Ų031.6 Ų31.60%019%0.193CC..G310 helixtrans-76.4-8.6171.466.10000113.2A1658 H1660 S1681 F1682 S1699 P1700A1658-S1702 WeakPolarHBondContact CB-OG 3.31Å; H1660-S1702 PolarHBondContact CE1-OG 3.35Å; H1660-S1702 VanDerWaalsContact CE1-OG 3.28Å; H1660-S1702 PolarHBondContact NE2-OG 3.36Å; S1681-S1702 CarbonylContact C-O 3.56Å; F1682-S1702 PolarHBondContact N-O 3.01Å; F1682-S1702 WeakPolarHBondContact O-CA 3.42Å; F1682-S1702 VanDerWaalsContact O-CB 3.31Å; F1682-S1702 WeakPolarHBondContact O-CB 3.03Å; S1699-S1702 PolarHBondContact O-N 3.28Å; S1699-S1702 PolarHBondContact O-OG 3.34Å; P1700-S1702 VanDerWaalsContact C-N 3.3Å; P1700-S1702 PolarHBondContact O-N 2.9Å
1703C96.9Very high91.5Very high1 Ų130.4 Ų30.41%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-116.574.1-174.1-165.90000112A1658 W1677 P1700 G1701 C1764 V1766A1658-C1703 HydrophobicContact CB-CB 4.02Å; W1677-C1703 PolarHBondContact NE1-O 2.57Å; P1700-C1703 PolarHBondContact O-N 2.99Å; G1701-C1703 PolarHBondContact O-N 3.02Å; C1703-C1764 WeakPolarHBondContact CA-SG 3.26Å; C1703-C1764 HydrophobicContact CB-CB 3.9Å; C1703-C1764 WeakPolarHBondContact CB-SG 3.12Å; C1703-C1764 WeakPolarHBondContact SG-CB 3.26Å; C1703-C1764 CovalentContact SG-SG 2.04Å; C1703-C1764 PolarHBondContact SG-SG 3.12Å; C1703-V1766 HydrophobicContact CB-CG2 3.57Å
1704L94.3Very high91.8Very high4 Ų429.7 Ų29.72%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-69.5132.8178-75.8177.7000111.1L1587 L1623 G1679 S1680 F1682 Q1706 M1711 W1731L1587-L1704 HydrophobicContact CD1-CD2 4.25Å; L1623-L1704 HydrophobicContact CD1-CD2 4.04Å; G1679-L1704 CarbonylContact C-O 3.06Å; G1679-L1704 VanDerWaalsContact CA-O 3.22Å; G1679-L1704 WeakPolarHBondContact CA-O 3.13Å; S1680-L1704 PolarHBondContact N-O 3.14Å; S1680-L1704 PolarHBondContact O-N 3Å; F1682-L1704 HydrophobicContact CB-CD1 3.95Å; F1682-L1704 HydrophobicContact CB-CG 4.2Å; F1682-L1704 HydrophobicContact CD1-CD1 3.87Å; F1682-L1704 HydrophobicContact CD1-CG 4.35Å; F1682-L1704 HydrophobicContact CG-CD1 3.93Å; L1704-Q1706 PolarHBondContact O-N 3.19Å; L1704-M1711 HydrophobicContact CD1-CG 3.93Å; L1704-M1711 HydrophobicContact CD1-SD 3.43Å; L1704-M1711 WeakPolarHBondContact CD1-SD 3.15Å; L1704-W1731 HydrophobicContact CB-CH2 4.48Å; L1704-W1731 HydrophobicContact CB-CZ3 4.45Å; L1704-W1731 HydrophobicContact CD1-CH2 4.02Å
1705P90.2Very high92.1Very high56 Ų5627.6 Ų27.636%0.36415%0.151SC..SBendtrans-57.1-31.8-179.1-27.535.3000114.4
1706Q86.1Confident92Very high72 Ų7228.6 Ų28.634%0.33616%0.158SC..SBendtrans-127.5130.7-178.1-61.6-177.3-3.200111.7Q1553 L1704Q1553-Q1706 PolarHBondContact NE2-O 2.9Å; Q1553-Q1706 PolarHBondContact OE1-O 3.29Å; L1704-Q1706 PolarHBondContact O-N 3.19Å
1707F90.5Very high91.9Very high22 Ų2222.9 Ų22.910%0.09613%0.134CC..  trans-68.6133.1165.1171-90.2000110.2W1731 S1757 Q1758 V1761F1707-W1731 AromaticContact CD2-CD2 3.7Å; F1707-W1731 HydrophobicContact CD2-CD2 3.7Å; F1707-W1731 AromaticContact CD2-CE2 3.59Å; F1707-W1731 AromaticContact CD2-CE3 3.94Å; F1707-W1731 HydrophobicContact CD2-CE3 3.94Å; F1707-W1731 HydrophobicContact CD2-CG 4.27Å; F1707-W1731 HydrophobicContact CD2-CH2 4.07Å; F1707-W1731 AromaticContact CD2-CZ2 3.8Å; F1707-W1731 HydrophobicContact CD2-CZ2 3.8Å; F1707-W1731 HydrophobicContact CD2-CZ3 4.13Å; F1707-W1731 AromaticContact CE2-CD1 3.81Å; F1707-W1731 AromaticContact CE2-CD2 3.87Å; F1707-W1731 HydrophobicContact CE2-CD2 3.87Å; F1707-W1731 AromaticContact CE2-CE2 3.57Å; F1707-W1731 HydrophobicContact CE2-CG 4.04Å; F1707-W1731 HydrophobicContact CE2-CZ2 4.08Å; F1707-W1731 AromaticContact CE2-NE1 3.51Å; F1707-S1757 WeakPolarHBondContact CE1-OG 3.29Å; F1707-Q1758 HydrophobicContact CB-CG 4.05Å; F1707-Q1758 HydrophobicContact CD1-CG 3.57Å; F1707-Q1758 HydrophobicContact CE1-CG 4.4Å; F1707-Q1758 HydrophobicContact CG-CG 4.01Å; F1707-V1761 HydrophobicContact CD2-CB 4.3Å; F1707-V1761 HydrophobicContact CD2-CG1 4.18Å; F1707-V1761 HydrophobicContact CD2-CG2 3.86Å; F1707-V1761 HydrophobicContact CE2-CG2 3.73Å
1708R84.5Confident91.7Very high36 Ų3627.2 Ų27.214%0.13615%0.15CC..  trans-135136.3174.4-65.6-71.8171.9-172.8-5.7109.5E1626 M1711 W1731E1626-R1708 VanDerWaalsContact CD-CZ 3.5Å; E1626-R1708 IonicContact OE1-CZ 2.8Å; E1626-R1708 IonicContact OE1-NH1 2.76Å; E1626-R1708 PolarHBondContact OE1-NH1 3.46Å; E1626-R1708 IonicContact OE1-NH2 3.48Å; E1626-R1708 PolarHBondContact OE1-NH2 2.71Å; E1626-R1708 IonicContact OE2-CZ 2.78Å; E1626-R1708 IonicContact OE2-NH1 2.63Å; E1626-R1708 IonicContact OE2-NH2 3.25Å; E1626-R1708 PolarHBondContact OE2-NH2 3.33Å; R1708-M1711 HydrophobicContact CB-CB 4.22Å; R1708-W1731 WeakPolarHBondContact O-CZ2 3.24Å
1709S79.8Confident91.5Very high48 Ų4826 Ų2634%0.33614%0.142SC..SBendtrans-70.6-44.4174.543.50000111.5N1729S1709-N1729 PolarHBondContact O-ND2 3.29Å
1710H84.3Confident91.3Very high48 Ų4828.5 Ų28.522%0.22215%0.154CC..SBendtrans-104.9104.7166-58.4-70.9000107.9S1624 E1628 F1723S1624-H1710 PolarHBondContact OG-O 2.99Å; E1628-H1710 IonicContact OE1-CD2 2.6Å; E1628-H1710 IonicContact OE2-CD2 2.66Å; E1628-H1710 PolarHBondContact OE2-CD2 2.84Å; E1628-H1710 IonicContact OE2-CG 2.98Å; H1710-F1723 HydrophobicContact CB-CD1 3.91Å; H1710-F1723 HydrophobicContact CB-CE1 3.59Å; H1710-F1723 HydrophobicContact CB-CZ 4.1Å
1711M89.8Confident91.2Very high1 Ų128 Ų281%0.00515%0.15CC..  trans-104-18.8-169.6179.8-162.874.300113.1L1574 L1623 S1624 F1682 N1685 L1704 R1708 N1729 W1731L1574-M1711 HydrophobicContact CD2-CE 4.25Å; L1623-M1711 WeakPolarHBondContact CA-O 3.41Å; L1623-M1711 HydrophobicContact CD2-CE 4.15Å; L1623-M1711 HydrophobicContact CD2-CG 3.9Å; L1623-M1711 HydrophobicContact CD2-SD 4.39Å; S1624-M1711 PolarHBondContact N-O 3.03Å; S1624-M1711 PolarHBondContact OG-O 3.44Å; F1682-M1711 HydrophobicContact CD1-CE 4.43Å; F1682-M1711 HydrophobicContact CD1-SD 4.19Å; F1682-M1711 HydrophobicContact CD2-CE 3.94Å; F1682-M1711 HydrophobicContact CD2-SD 3.55Å; F1682-M1711 VanDerWaalsContact CD2-SD 3.55Å; F1682-M1711 HydrophobicContact CE1-CE 3.83Å; F1682-M1711 HydrophobicContact CE1-SD 4.19Å; F1682-M1711 HydrophobicContact CE2-CE 3.26Å; F1682-M1711 HydrophobicContact CE2-SD 3.56Å; F1682-M1711 VanDerWaalsContact CE2-SD 3.56Å; F1682-M1711 HydrophobicContact CG-SD 3.92Å; F1682-M1711 HydrophobicContact CZ-CE 3.22Å; F1682-M1711 HydrophobicContact CZ-SD 3.92Å; N1685-M1711 HydrophobicContact CB-CE 4.13Å; L1704-M1711 HydrophobicContact CD1-CG 3.93Å; L1704-M1711 HydrophobicContact CD1-SD 3.43Å; L1704-M1711 WeakPolarHBondContact CD1-SD 3.15Å; R1708-M1711 HydrophobicContact CB-CB 4.22Å; M1711-N1729 VanDerWaalsContact CE-OD1 3.3Å; M1711-N1729 WeakPolarHBondContact CE-OD1 2.83Å; M1711-N1729 PolarHBondContact N-ND2 3.46Å; M1711-W1731 HydrophobicContact CB-CZ2 4.49Å; M1711-W1731 HydrophobicContact CG-CZ2 4.31Å; M1711-W1731 HydrophobicContact SD-CH2 4.02Å; M1711-W1731 HydrophobicContact SD-CZ2 3.74Å
1712F92.5Very high91.1Very high1 Ų127.8 Ų27.80%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-139.4141.6-178.972.9-96.4000111L1574 Y1621 W1622 N1685 T1686 F1723 H1727 N1729L1574-F1712 HydrophobicContact CD2-CB 3.54Å; L1574-F1712 HydrophobicContact CD2-CD1 4.16Å; L1574-F1712 HydrophobicContact CD2-CG 3.93Å; Y1621-F1712 AromaticContact CD1-CD2 3.49Å; Y1621-F1712 HydrophobicContact CD1-CD2 3.49Å; Y1621-F1712 VanDerWaalsContact CD1-CD2 3.49Å; Y1621-F1712 AromaticContact CD1-CE2 3.42Å; Y1621-F1712 HydrophobicContact CD1-CE2 3.42Å; Y1621-F1712 VanDerWaalsContact CD1-CE2 3.42Å; Y1621-F1712 HydrophobicContact CE1-CD2 4.22Å; Y1621-F1712 AromaticContact CE1-CE2 3.68Å; Y1621-F1712 HydrophobicContact CE1-CE2 3.68Å; Y1621-F1712 HydrophobicContact CG-CD2 4.33Å; Y1621-F1712 HydrophobicContact CG-CE2 4.46Å; W1622-F1712 CarbonylContact O-C 3.48Å; W1622-F1712 WeakPolarHBondContact O-CA 3.36Å; W1622-F1712 WeakPolarHBondContact O-CB 3.02Å; N1685-F1712 HydrophobicContact CB-CD1 3.88Å; N1685-F1712 HydrophobicContact CB-CE1 3.69Å; T1686-F1712 WeakPolarHBondContact O-CZ 3.25Å; F1712-F1723 WeakPolarHBondContact O-CD1 3.1Å; F1712-F1723 WeakPolarHBondContact O-CE1 3.25Å; F1712-H1727 HydrophobicContact CE1-CB 4.25Å; F1712-H1727 HydrophobicContact CE2-CB 4.04Å; F1712-H1727 AromaticContact CE2-CD2 3.69Å; F1712-H1727 AromaticContact CE2-CE1 3.99Å; F1712-H1727 AromaticContact CE2-CG 3.6Å; F1712-H1727 AromaticContact CE2-ND1 3.84Å; F1712-H1727 AromaticContact CE2-NE2 3.92Å; F1712-H1727 HydrophobicContact CZ-CB 3.57Å; F1712-H1727 AromaticContact CZ-CD2 3.86Å; F1712-H1727 AromaticContact CZ-CG 3.65Å; F1712-N1729 WeakPolarHBondContact CD1-OD1 3.3Å; F1712-N1729 WeakPolarHBondContact CE1-OD1 3.46Å
1713I92.5Very high90.8Very high0 Ų028 Ų280%015%0.15CC..EExtended strand (participates in β ladder)trans-100.2144.5172.2-167.2172.1000109.5Y1621 W1622 P1629 T1640 I1644 C1721 G1722 F1723Y1621-I1713 WeakPolarHBondContact CA-O 3.15Å; W1622-I1713 HydrophobicContact CB-CG2 4.25Å; W1622-I1713 PolarHBondContact N-O 3.43Å; W1622-I1713 VanDerWaalsContact N-O 3.08Å; W1622-I1713 PolarHBondContact O-N 3.3Å; P1629-I1713 HydrophobicContact CG-CD1 4.17Å; T1640-I1713 HydrophobicContact CG2-CD1 4.24Å; I1644-I1713 HydrophobicContact CD1-CG2 3.6Å; I1713-C1721 HydrophobicContact CD1-CB 4.19Å; I1713-C1721 HydrophobicContact CG1-CB 4.45Å; I1713-G1722 WeakPolarHBondContact CG1-O 3.33Å; I1713-F1723 HydrophobicContact CB-CE1 4.28Å; I1713-F1723 HydrophobicContact CB-CZ 4.23Å
1714E93.8Very high90.4Very high2 Ų229.7 Ų29.71%0.00916%0.157CC..EExtended strand (participates in β ladder)trans-98.8130.3177.3-179.8-18011600110.5R1619 Y1621 C1721 G1722 F1724 H1727R1619-E1714 HydrophobicContact CB-CG 4.5Å; R1619-E1714 VanDerWaalsContact CD-OE1 3.28Å; R1619-E1714 WeakPolarHBondContact CD-OE1 3.47Å; R1619-E1714 IonicContact CZ-OE1 3.44Å; R1619-E1714 IonicContact NE-OE1 3.26Å; R1619-E1714 IonicContact NH1-OE1 3.64Å; R1619-E1714 PolarHBondContact NH1-OE1 2.84Å; R1619-E1714 IonicContact NH1-OE2 2.66Å; Y1621-E1714 HydrophobicContact CD1-CB 3.82Å; Y1621-E1714 HydrophobicContact CD1-CG 4.01Å; Y1621-E1714 HydrophobicContact CE1-CB 3.5Å; Y1621-E1714 HydrophobicContact CE1-CG 3.37Å; Y1621-E1714 WeakPolarHBondContact CE1-OE2 3.07Å; Y1621-E1714 VanDerWaalsContact CZ-OE2 3.3Å; Y1621-E1714 PolarHBondContact OH-OE2 3.25Å; E1714-C1721 CarbonylContact O-C 3.28Å; E1714-C1721 WeakPolarHBondContact O-CA 3.49Å; E1714-G1722 PolarHBondContact N-O 3.33Å; E1714-G1722 VanDerWaalsContact N-O 3.08Å; E1714-G1722 PolarHBondContact O-N 3.3Å; E1714-F1724 HydrophobicContact CB-CD2 4.14Å; E1714-F1724 HydrophobicContact CB-CE2 4.17Å; E1714-F1724 HydrophobicContact CG-CD2 4.44Å; E1714-F1724 HydrophobicContact CG-CE2 4.3Å; E1714-F1724 WeakPolarHBondContact OE1-CD2 3.33Å; E1714-F1724 WeakPolarHBondContact OE1-CE2 3.32Å; E1714-H1727 WeakPolarHBondContact CB-CE1 3.2Å; E1714-H1727 IonicContact OE2-CD2 3.32Å; E1714-H1727 IonicContact OE2-CE1 3.48Å; E1714-H1727 IonicContact OE2-NE2 2.62Å; E1714-H1727 PolarHBondContact OE2-NE2 3.05Å
1715C94Very high90.1Very high0 Ų035.3 Ų35.30%018%0.183CC..EExtended strand (participates in β ladder)trans-110144.8171.3-72.20000111P1599 R1619 S1620 C1721P1599-C1715 HydrophobicContact CB-CB 4.07Å; P1599-C1715 WeakPolarHBondContact O-CB 3.34Å; R1619-C1715 CarbonylContact C-O 2.76Å; R1619-C1715 VanDerWaalsContact CA-O 3.29Å; R1619-C1715 WeakPolarHBondContact CA-O 3.08Å; R1619-C1715 WeakPolarHBondContact CB-O 3.27Å; S1620-C1715 PolarHBondContact N-O 2.75Å; S1620-C1715 PolarHBondContact O-N 3.4Å; S1620-C1715 WeakPolarHBondContact OG-CB 3.43Å; C1715-C1721 VanDerWaalsContact CA-SG 3.56Å; C1715-C1721 HydrophobicContact CB-CB 4.07Å; C1715-C1721 WeakPolarHBondContact CB-SG 3.41Å; C1715-C1721 WeakPolarHBondContact SG-CB 3.39Å; C1715-C1721 CovalentContact SG-SG 2.04Å; C1715-C1721 PolarHBondContact SG-SG 3.15Å
1716T93.2Very high89.9Confident28 Ų2836.9 Ų36.917%0.17219%0.186CC..EExtended strand (participates in β ladder)trans-117.3158-178.463.30000111.3K1718 G1719 L1720T1716-K1718 PolarHBondContact O-N 3.38Å; T1716-G1719 PolarHBondContact O-N 3.38Å; T1716-L1720 PolarHBondContact N-O 2.88Å; T1716-L1720 PolarHBondContact OG1-O 3.43Å
1717A91.3Very high90.1Very high19 Ų1933.9 Ų33.916%0.15717%0.172CC..THydrogen-bonded Turntrans-53.9-15.6174.100000115.9I1600 A1614 R1616 D1618 G1719I1600-A1717 HydrophobicContact CD1-CB 4.47Å; I1600-A1717 VanDerWaalsContact CG1-CA 3.47Å; I1600-A1717 HydrophobicContact CG1-CB 3.95Å; A1614-A1717 HydrophobicContact CB-CB 4.29Å; R1616-A1717 WeakPolarHBondContact O-CB 3.46Å; D1618-A1717 PolarHBondContact O-N 3.02Å; A1717-G1719 PolarHBondContact O-N 3.12Å
1718K91.7Very high90.1Very high157 Ų15737.7 Ų37.768%0.68319%0.188SC*.THydrogen-bonded Turntrans-78.93.7173.5-61.8-179.3-177.8176.50113.8T1716 L1720T1716-K1718 PolarHBondContact O-N 3.38Å; K1718-L1720 HydrophobicContact CB-CD1 4.34Å; K1718-L1720 HydrophobicContact CB-CG 4.34Å; K1718-L1720 PolarHBondContact O-N 3.32Å
1719G91.8Very high90.4Very high22 Ų2237.3 Ų37.323%0.22719%0.189CC..SBendtrans70.919.1-174.400000113.7A1637 T1716 A1717A1637-G1719 PolarHBondContact N-O 3.19Å; T1716-G1719 PolarHBondContact O-N 3.38Å; A1717-G1719 PolarHBondContact O-N 3.12Å
1720L92.7Very high91Very high67 Ų6739.3 Ų39.335%0.35119%0.191SC..EExtended strand (participates in β ladder)trans-109.3133.4179.7-65176.1000110.1P1634 V1635 T1716 K1718P1634-L1720 HydrophobicContact CB-CB 3.97Å; V1635-L1720 WeakPolarHBondContact O-CA 3.15Å; T1716-L1720 PolarHBondContact N-O 2.88Å; T1716-L1720 PolarHBondContact OG1-O 3.43Å; K1718-L1720 HydrophobicContact CB-CD1 4.34Å; K1718-L1720 HydrophobicContact CB-CG 4.34Å; K1718-L1720 PolarHBondContact O-N 3.32Å
1721C94Very high91.4Very high0 Ų038.9 Ų38.90%019%0.188CC..EExtended strand (participates in β ladder)trans-127.9139.5-178.9-54.30000112P1634 V1635 T1640 I1713 E1714 C1715P1634-C1721 CarbonylContact C-O 3.28Å; P1634-C1721 VanDerWaalsContact CA-O 3.27Å; P1634-C1721 WeakPolarHBondContact CA-O 3.26Å; V1635-C1721 VanDerWaalsContact CG2-O 3.32Å; V1635-C1721 WeakPolarHBondContact CG2-O 3.4Å; V1635-C1721 PolarHBondContact N-O 2.76Å; V1635-C1721 PolarHBondContact O-N 3.43Å; T1640-C1721 HydrophobicContact CG2-CB 3.53Å; I1713-C1721 HydrophobicContact CD1-CB 4.19Å; I1713-C1721 HydrophobicContact CG1-CB 4.45Å; E1714-C1721 CarbonylContact O-C 3.28Å; E1714-C1721 WeakPolarHBondContact O-CA 3.49Å; C1715-C1721 VanDerWaalsContact CA-SG 3.56Å; C1715-C1721 HydrophobicContact CB-CB 4.07Å; C1715-C1721 WeakPolarHBondContact CB-SG 3.41Å; C1715-C1721 WeakPolarHBondContact SG-CB 3.39Å; C1715-C1721 CovalentContact SG-SG 2.04Å; C1715-C1721 PolarHBondContact SG-SG 3.15Å
1722G92.5Very high91.6Very high0 Ų040.2 Ų40.20%020%0.195CC..EExtended strand (participates in β ladder)trans-170.2174.9-178.200000114.7I1713 E1714I1713-G1722 WeakPolarHBondContact CG1-O 3.33Å; E1714-G1722 PolarHBondContact N-O 3.33Å; E1714-G1722 VanDerWaalsContact N-O 3.08Å; E1714-G1722 PolarHBondContact O-N 3.3Å
1723F90.4Very high91.5Very high4 Ų444.5 Ų44.52%0.01821%0.211CC..  trans-97.1136.9171.9-69.2-74.4000110.7E1628 P1629 M1631 W1632 H1710 F1712 I1713E1628-F1723 HydrophobicContact CB-CD2 4.12Å; E1628-F1723 HydrophobicContact CB-CE2 3.69Å; E1628-F1723 HydrophobicContact CG-CD2 4.42Å; E1628-F1723 HydrophobicContact CG-CE2 3.68Å; E1628-F1723 HydrophobicContact CG-CZ 4.06Å; P1629-F1723 HydrophobicContact CG-CD2 4.19Å; M1631-F1723 HydrophobicContact CG-CB 4.31Å; M1631-F1723 WeakPolarHBondContact CG-O 3.1Å; W1632-F1723 PolarHBondContact N-O 3.41Å; W1632-F1723 VanDerWaalsContact N-O 3.09Å; H1710-F1723 HydrophobicContact CB-CD1 3.91Å; H1710-F1723 HydrophobicContact CB-CE1 3.59Å; H1710-F1723 HydrophobicContact CB-CZ 4.1Å; F1712-F1723 WeakPolarHBondContact O-CD1 3.1Å; F1712-F1723 WeakPolarHBondContact O-CE1 3.25Å; I1713-F1723 HydrophobicContact CB-CE1 4.28Å; I1713-F1723 HydrophobicContact CB-CZ 4.23Å
1724F89.4Confident91.3Very high36 Ų3645.6 Ų45.616%0.15822%0.218CC..  trans-129.4150.2-178.5-58.5-70.9000110.2W1632 P1634 E1714 E1726 H1727W1632-F1724 HydrophobicContact CD2-CD1 4.44Å; W1632-F1724 AromaticContact CE3-CD1 3.63Å; W1632-F1724 HydrophobicContact CE3-CD1 3.63Å; W1632-F1724 HydrophobicContact CE3-CE1 4.27Å; W1632-F1724 HydrophobicContact CZ3-CB 4.45Å; W1632-F1724 AromaticContact CZ3-CD1 3.75Å; W1632-F1724 HydrophobicContact CZ3-CD1 3.75Å; P1634-F1724 HydrophobicContact CG-CE1 4.17Å; P1634-F1724 HydrophobicContact CG-CZ 3.97Å; E1714-F1724 HydrophobicContact CB-CD2 4.14Å; E1714-F1724 HydrophobicContact CB-CE2 4.17Å; E1714-F1724 HydrophobicContact CG-CD2 4.44Å; E1714-F1724 HydrophobicContact CG-CE2 4.3Å; E1714-F1724 WeakPolarHBondContact OE1-CD2 3.33Å; E1714-F1724 WeakPolarHBondContact OE1-CE2 3.32Å; F1724-E1726 PolarHBondContact O-N 2.81Å; F1724-E1726 VanDerWaalsContact O-N 3.15Å; F1724-H1727 AromaticContact CD2-CE1 3.61Å; F1724-H1727 AromaticContact CD2-NE2 3.67Å; F1724-H1727 PolarHBondContact N-CE1 2.92Å; F1724-H1727 PolarHBondContact N-ND1 3.24Å; F1724-H1727 VanDerWaalsContact O-CB 3.26Å; F1724-H1727 WeakPolarHBondContact O-CB 3.43Å; F1724-H1727 PolarHBondContact O-N 3.18Å
1725E86.5Confident90.8Very high123 Ų12347.3 Ų47.358%0.57523%0.226SC*.THydrogen-bonded Turntrans-64.5-22.9-174.6-170.7175-179.900113.5M1631 W1632 H1727 K1728M1631-E1725 HydrophobicContact SD-CB 4.22Å; W1632-E1725 HydrophobicContact CH2-CB 4.26Å; W1632-E1725 HydrophobicContact CZ2-CB 3.44Å; W1632-E1725 VanDerWaalsContact CZ2-CB 3.44Å; E1725-H1727 PolarHBondContact O-N 3.15Å; E1725-K1728 PolarHBondContact O-NZ 2.77Å
1726E86.4Confident90Very high89 Ų8950 Ų5042%0.41624%0.244SC..THydrogen-bonded Turntrans-60.4-23.6173.1-67.4177.6-135.100113Y1688 G1689 F1724 K1728Y1688-E1726 WeakPolarHBondContact CA-OE2 3.19Å; Y1688-E1726 WeakPolarHBondContact CD2-OE2 3.18Å; G1689-E1726 PolarHBondContact N-OE2 2.86Å; F1724-E1726 PolarHBondContact O-N 2.81Å; F1724-E1726 VanDerWaalsContact O-N 3.15Å; E1726-K1728 PolarHBondContact O-N 3.18Å
1727H89.9Confident89Confident9 Ų952.6 Ų52.64%0.04226%0.263CS..  trans-68.4115.7-175.2-61.5171000112.1T1686 F1712 E1714 F1724 E1725T1686-H1727 WeakPolarHBondContact O-CA 3.4Å; F1712-H1727 HydrophobicContact CE1-CB 4.25Å; F1712-H1727 HydrophobicContact CE2-CB 4.04Å; F1712-H1727 AromaticContact CE2-CD2 3.69Å; F1712-H1727 AromaticContact CE2-CE1 3.99Å; F1712-H1727 AromaticContact CE2-CG 3.6Å; F1712-H1727 AromaticContact CE2-ND1 3.84Å; F1712-H1727 AromaticContact CE2-NE2 3.92Å; F1712-H1727 HydrophobicContact CZ-CB 3.57Å; F1712-H1727 AromaticContact CZ-CD2 3.86Å; F1712-H1727 AromaticContact CZ-CG 3.65Å; E1714-H1727 WeakPolarHBondContact CB-CE1 3.2Å; E1714-H1727 IonicContact OE2-CD2 3.32Å; E1714-H1727 IonicContact OE2-CE1 3.48Å; E1714-H1727 IonicContact OE2-NE2 2.62Å; E1714-H1727 PolarHBondContact OE2-NE2 3.05Å; F1724-H1727 AromaticContact CD2-CE1 3.61Å; F1724-H1727 AromaticContact CD2-NE2 3.67Å; F1724-H1727 PolarHBondContact N-CE1 2.92Å; F1724-H1727 PolarHBondContact N-ND1 3.24Å; F1724-H1727 VanDerWaalsContact O-CB 3.26Å; F1724-H1727 WeakPolarHBondContact O-CB 3.43Å; F1724-H1727 PolarHBondContact O-N 3.18Å; E1725-H1727 PolarHBondContact O-N 3.15Å
1728K90.8Very high88Confident101 Ų10156.5 Ų56.544%0.43929%0.289SS..EExtended strand (participates in β ladder)trans-121.1141175.7-49.7-57.6171.3-154.50111.4N1685 T1686 E1725 E1726 F1730N1685-K1728 WeakPolarHBondContact CA-O 3.4Å; T1686-K1728 PolarHBondContact N-O 3.26Å; T1686-K1728 PolarHBondContact O-N 3.4Å; E1725-K1728 PolarHBondContact O-NZ 2.77Å; E1726-K1728 PolarHBondContact O-N 3.18Å; K1728-F1730 HydrophobicContact CB-CD2 4.45Å; K1728-F1730 HydrophobicContact CB-CE2 3.7Å; K1728-F1730 HydrophobicContact CB-CZ 4.07Å
1729N90.6Very high87Confident28 Ų2850.1 Ų50.115%0.1526%0.262CS..EExtended strand (participates in β ladder)trans-122.1123179.7-63.3-55000109S1709 M1711 F1712S1709-N1729 PolarHBondContact O-ND2 3.29Å; M1711-N1729 VanDerWaalsContact CE-OD1 3.3Å; M1711-N1729 WeakPolarHBondContact CE-OD1 2.83Å; M1711-N1729 PolarHBondContact N-ND2 3.46Å; F1712-N1729 WeakPolarHBondContact CD1-OD1 3.3Å; F1712-N1729 WeakPolarHBondContact CE1-OD1 3.46Å
1730F93Very high86Confident90 Ų9053.1 Ų53.140%0.39527%0.273SS..EExtended strand (participates in β ladder)trans-109.4131.7-174.6-59.4-102.4000109.9F1682 F1683 M1684 T1686 K1728F1682-F1730 WeakPolarHBondContact CD2-O 3.42Å; F1683-F1730 PolarHBondContact N-O 3Å; M1684-F1730 HydrophobicContact CE-CD2 4.47Å; M1684-F1730 HydrophobicContact CE-CE2 4.47Å; M1684-F1730 HydrophobicContact CG-CB 3.55Å; M1684-F1730 HydrophobicContact CG-CD2 3.71Å; M1684-F1730 HydrophobicContact CG-CG 3.73Å; M1684-F1730 PolarHBondContact N-O 2.95Å; M1684-F1730 WeakPolarHBondContact O-CB 3.23Å; M1684-F1730 WeakPolarHBondContact O-CD2 3.37Å; M1684-F1730 PolarHBondContact O-N 2.64Å; M1684-F1730 HydrophobicContact SD-CD2 4.46Å; M1684-F1730 HydrophobicContact SD-CG 4.45Å; T1686-F1730 HydrophobicContact CG2-CE2 4.04Å; K1728-F1730 HydrophobicContact CB-CD2 4.45Å; K1728-F1730 HydrophobicContact CB-CE2 3.7Å; K1728-F1730 HydrophobicContact CB-CZ 4.07Å
1731W93.5Very high84.8Confident39 Ų3958.4 Ų58.415%0.14830%0.296CS..EExtended strand (participates in β ladder)trans-131.6150.5-172.7-56.480.6000109.2S1681 F1682 L1704 F1707 R1708 M1711 R1733 V1761S1681-W1731 CarbonylContact O-C 3.47Å; S1681-W1731 WeakPolarHBondContact O-CA 3.45Å; S1681-W1731 WeakPolarHBondContact O-CB 3.36Å; F1682-W1731 HydrophobicContact CB-CE3 3.91Å; F1682-W1731 HydrophobicContact CB-CH2 4.26Å; F1682-W1731 HydrophobicContact CB-CZ3 3.74Å; L1704-W1731 HydrophobicContact CB-CH2 4.48Å; L1704-W1731 HydrophobicContact CB-CZ3 4.45Å; L1704-W1731 HydrophobicContact CD1-CH2 4.02Å; F1707-W1731 AromaticContact CD2-CD2 3.7Å; F1707-W1731 HydrophobicContact CD2-CD2 3.7Å; F1707-W1731 AromaticContact CD2-CE2 3.59Å; F1707-W1731 AromaticContact CD2-CE3 3.94Å; F1707-W1731 HydrophobicContact CD2-CE3 3.94Å; F1707-W1731 HydrophobicContact CD2-CG 4.27Å; F1707-W1731 HydrophobicContact CD2-CH2 4.07Å; F1707-W1731 AromaticContact CD2-CZ2 3.8Å; F1707-W1731 HydrophobicContact CD2-CZ2 3.8Å; F1707-W1731 HydrophobicContact CD2-CZ3 4.13Å; F1707-W1731 AromaticContact CE2-CD1 3.81Å; F1707-W1731 AromaticContact CE2-CD2 3.87Å; F1707-W1731 HydrophobicContact CE2-CD2 3.87Å; F1707-W1731 AromaticContact CE2-CE2 3.57Å; F1707-W1731 HydrophobicContact CE2-CG 4.04Å; F1707-W1731 HydrophobicContact CE2-CZ2 4.08Å; F1707-W1731 AromaticContact CE2-NE1 3.51Å; R1708-W1731 WeakPolarHBondContact O-CZ2 3.24Å; M1711-W1731 HydrophobicContact CB-CZ2 4.49Å; M1711-W1731 HydrophobicContact CG-CZ2 4.31Å; M1711-W1731 HydrophobicContact SD-CH2 4.02Å; M1711-W1731 HydrophobicContact SD-CZ2 3.74Å; W1731-R1733 PolarHBondContact O-N 3.11Å; W1731-V1761 HydrophobicContact CB-CG1 3.91Å; W1731-V1761 HydrophobicContact CB-CG2 3.88Å; W1731-V1761 HydrophobicContact CD2-CG1 4.31Å; W1731-V1761 HydrophobicContact CE3-CG1 3.97Å; W1731-V1761 HydrophobicContact CG-CG1 4.32Å; W1731-V1761 HydrophobicContact CG-CG2 4.2Å
1732L93.5Very high83.7Confident30 Ų3064 Ų6416%0.15732%0.322CS..PPolyproline II helixtrans-66.3130.6173-58.7-177.1000109.8H1660 Q1662 S1681 F1683 L1697 G1762H1660-L1732 HydrophobicContact CB-CD1 3.9Å; Q1662-L1732 HydrophobicContact CG-CD1 4.46Å; S1681-L1732 PolarHBondContact O-N 3.25Å; F1683-L1732 HydrophobicContact CB-CD2 4.39Å; L1697-L1732 HydrophobicContact CD1-CD1 4.23Å; L1697-L1732 HydrophobicContact CD1-CD2 4.2Å; L1697-L1732 HydrophobicContact CD2-CD1 3.95Å; L1697-L1732 HydrophobicContact CD2-CD2 4.33Å; L1697-L1732 HydrophobicContact CD2-CG 4.23Å; L1732-G1762 PolarHBondContact O-N 3.44Å
1733R89.7Confident83.1Confident91 Ų9169.2 Ų69.234%0.34335%0.347SS..BIsolated β-bridgetrans-75.5147.5-178.5-169.1-178.6169.4164.6-1.9111.2W1731 M1735 M1748 T1750 S1760W1731-R1733 PolarHBondContact O-N 3.11Å; R1733-M1735 PolarHBondContact O-N 2.7Å; R1733-M1748 PolarHBondContact NH1-O 3.49Å; R1733-M1748 PolarHBondContact NH2-O 3.23Å; R1733-M1748 VanDerWaalsContact NH2-O 3.11Å; R1733-T1750 PolarHBondContact NH2-OG1 3.45Å; R1733-T1750 VanDerWaalsContact NH2-OG1 3.13Å; R1733-S1760 CarbonylContact C-O 3.51Å; R1733-S1760 WeakPolarHBondContact CA-O 3.16Å
1734V88.6Confident82.6Confident23 Ų2378.8 Ų78.814%0.13939%0.39CS..PPolyproline II helixtrans-66.6117.5161.8171.40000109.4Q1662 L1664 P1736 S1760Q1662-V1734 CarbonylContact O-C 3.5Å; Q1662-V1734 WeakPolarHBondContact O-CA 3.14Å; L1664-V1734 HydrophobicContact CD2-CG2 3.67Å; L1664-V1734 HydrophobicContact CG-CG1 4.34Å; L1664-V1734 HydrophobicContact CG-CG2 3.82Å; V1734-P1736 WeakPolarHBondContact O-CD 3.28Å; V1734-S1760 PolarHBondContact N-O 2.84Å
1735M84.1Confident82Confident37 Ų3778.8 Ų78.818%0.18240%0.399CS..PPolyproline II helixtrans-77122.1164.4-62.7-62.1-81.100107.9Q1662 R1733 M1739Q1662-M1735 HydrophobicContact CB-CG 4.46Å; Q1662-M1735 PolarHBondContact O-N 2.69Å; R1733-M1735 PolarHBondContact O-N 2.7Å; M1735-M1739 HydrophobicContact CE-CE 3.61Å; M1735-M1739 HydrophobicContact SD-CE 4.03Å
1736P76.4Confident81.4Confident56 Ų5680.6 Ų80.636%0.36441%0.41SS..PPolyproline II helixtrans-69.7138.2171.129.4-34.5000109.8V1734 S1738 M1739V1734-P1736 WeakPolarHBondContact O-CD 3.28Å; P1736-S1738 PolarHBondContact O-N 2.71Å; P1736-M1739 HydrophobicContact CG-CE 3.84Å; P1736-M1739 HydrophobicContact CG-CG 4.33Å; P1736-M1739 PolarHBondContact O-N 3.1Å
1737S73Confident80.8Confident84 Ų8479.4 Ų79.459%0.58741%0.408SS*.G310 helixtrans-61.7-17.6-174.6-59.80000115.3M1739 D1740S1737-M1739 PolarHBondContact O-N 3.13Å; S1737-D1740 WeakPolarHBondContact CA-OD2 3.45Å; S1737-D1740 WeakPolarHBondContact CB-OD2 3.44Å; S1737-D1740 WeakPolarHBondContact O-CB 3.36Å; S1737-D1740 PolarHBondContact O-N 3.5Å; S1737-D1740 PolarHBondContact OG-OD2 3.1Å
1738S69.6Low79.8Confident100 Ų10085 Ų8570%0.69944%0.436SS*.G310 helixtrans-64.6-4.3167.163.80000114P1736P1736-S1738 PolarHBondContact O-N 2.71Å
1739M70.2Confident79Confident23 Ų2384 Ų8411%0.11346%0.455CS..G310 helixtrans-1118.7169.3-65.9-159.8-62.800113M1735 P1736 S1737 E1741 H1742 M1743 V1747M1735-M1739 HydrophobicContact CE-CE 3.61Å; M1735-M1739 HydrophobicContact SD-CE 4.03Å; P1736-M1739 HydrophobicContact CG-CE 3.84Å; P1736-M1739 HydrophobicContact CG-CG 4.33Å; P1736-M1739 PolarHBondContact O-N 3.1Å; S1737-M1739 PolarHBondContact O-N 3.13Å; M1739-E1741 VanDerWaalsContact C-N 3.32Å; M1739-E1741 PolarHBondContact O-N 3.05Å; M1739-H1742 CarbonylContact O-C 3.56Å; M1739-H1742 PolarHBondContact O-N 3.4Å; M1739-M1743 VanDerWaalsContact O-CA 3.25Å; M1739-M1743 WeakPolarHBondContact O-CA 3.44Å; M1739-M1743 WeakPolarHBondContact O-CG 3.17Å; M1739-M1743 PolarHBondContact O-N 2.9Å; M1739-V1747 HydrophobicContact CE-CB 4.44Å; M1739-V1747 HydrophobicContact CE-CG1 4.06Å; M1739-V1747 HydrophobicContact CE-CG2 3.97Å; M1739-V1747 HydrophobicContact SD-CG2 4.16Å
1740D71Confident78.3Confident86 Ų8686.1 Ų86.146%0.4647%0.469SS..SBendtrans-67.8-36.1175.9-65.8-25.8000110.7S1737 H1742S1737-D1740 WeakPolarHBondContact CA-OD2 3.45Å; S1737-D1740 WeakPolarHBondContact CB-OD2 3.44Å; S1737-D1740 WeakPolarHBondContact O-CB 3.36Å; S1737-D1740 PolarHBondContact O-N 3.5Å; S1737-D1740 PolarHBondContact OG-OD2 3.1Å; D1740-H1742 VanDerWaalsContact C-N 3.3Å
1741E67.8Low77.8Confident178 Ų17889 Ų8983%0.83249%0.493SS*.THydrogen-bonded Turntrans-75.5-14.8166.7-62.3-169.5156.400113.7M1739M1739-E1741 VanDerWaalsContact C-N 3.32Å; M1739-E1741 PolarHBondContact O-N 3.05Å
1742H72Confident76.9Confident116 Ų11690.4 Ų90.454%0.53750%0.503SS..THydrogen-bonded Turntrans-135.338.6-167.3-65-8.5000112.5M1739 D1740 F1744 G1745M1739-H1742 CarbonylContact O-C 3.56Å; M1739-H1742 PolarHBondContact O-N 3.4Å; D1740-H1742 VanDerWaalsContact C-N 3.3Å; H1742-F1744 PolarHBondContact O-N 2.82Å; H1742-G1745 WeakPolarHBondContact O-CA 3.38Å; H1742-G1745 PolarHBondContact O-N 2.69Å
1743M79.2Confident76.1Confident110 Ų11097.3 Ų97.354%0.54253%0.531SS..THydrogen-bonded Turntrans-60.9-24.3-174.5-69.1-175.9-78.900113.3M1739M1739-M1743 VanDerWaalsContact O-CA 3.25Å; M1739-M1743 WeakPolarHBondContact O-CA 3.44Å; M1739-M1743 WeakPolarHBondContact O-CG 3.17Å; M1739-M1743 PolarHBondContact O-N 2.9Å
1744F80.5Confident75Confident206 Ų20697.5 Ų97.590%0.90454%0.543SS*.THydrogen-bonded Turntrans-95.98.1177-52.9-77000113.2H1742H1742-F1744 PolarHBondContact O-N 2.82Å
1745G76Confident73.6Confident35 Ų35108.1 Ų108.136%0.36158%0.58SS.*SBendtrans-77.4172.6175.700000113.5H1742 V1747H1742-G1745 WeakPolarHBondContact O-CA 3.38Å; H1742-G1745 PolarHBondContact O-N 2.69Å; G1745-V1747 PolarHBondContact O-N 2.89Å
1746M73.9Confident72.7Confident162 Ų162110.8 Ų110.880%0.79860%0.595SS**  trans-70.9104.1-179.7-176.7-179.3-7400111.4M1748M1746-M1748 HydrophobicContact CG-CE 4.34Å; M1746-M1748 PolarHBondContact O-N 3.38Å; M1746-M1748 HydrophobicContact SD-CE 3.94Å
1747V72.9Confident72.5Confident63 Ų63108.9 Ų108.938%0.38258%0.583SS.*  trans-70.7112.9176.7-173.50000110.5M1739 G1745 G1749M1739-V1747 HydrophobicContact CE-CB 4.44Å; M1739-V1747 HydrophobicContact CE-CG1 4.06Å; M1739-V1747 HydrophobicContact CE-CG2 3.97Å; M1739-V1747 HydrophobicContact SD-CG2 4.16Å; G1745-V1747 PolarHBondContact O-N 2.89Å; V1747-G1749 PolarHBondContact O-N 3.32Å
1748M69.6Low72.7Confident128 Ų128110 Ų11063%0.63158%0.579SS**  trans-61.4129.8177.5-76.4-70.7141.600112.2R1733 M1746 T1750R1733-M1748 PolarHBondContact NH1-O 3.49Å; R1733-M1748 PolarHBondContact NH2-O 3.23Å; R1733-M1748 VanDerWaalsContact NH2-O 3.11Å; M1746-M1748 HydrophobicContact CG-CE 4.34Å; M1746-M1748 PolarHBondContact O-N 3.38Å; M1746-M1748 HydrophobicContact SD-CE 3.94Å; M1748-T1750 PolarHBondContact O-N 3.15Å
1749G74Confident73.3Confident80 Ų80109.6 Ų109.683%0.82557%0.569SS**  trans-73.7114.5174.400000111.1V1747V1747-G1749 PolarHBondContact O-N 3.32Å
1750T76.3Confident74.1Confident72 Ų72109.7 Ų109.744%0.44257%0.572SS.*  trans-119.9121.7-173.850.30000111.1R1733 M1748 I1752R1733-T1750 PolarHBondContact NH2-OG1 3.45Å; R1733-T1750 VanDerWaalsContact NH2-OG1 3.13Å; M1748-T1750 PolarHBondContact O-N 3.15Å; T1750-I1752 WeakPolarHBondContact O-CD1 3Å; T1750-I1752 PolarHBondContact O-N 2.81Å; T1750-I1752 WeakPolarHBondContact OG1-CD1 3.2Å
1751V81.3Confident75Confident150 Ų150106 Ų10691%0.90955%0.553SS**  trans-83.498.2173.2-178.50000109.3
1752I75.5Confident76.2Confident69 Ų6997.5 Ų97.535%0.35451%0.513SS..  trans-87.6123.3179.8-57.5116.7000110T1750 N1756T1750-I1752 WeakPolarHBondContact O-CD1 3Å; T1750-I1752 PolarHBondContact O-N 2.81Å; T1750-I1752 WeakPolarHBondContact OG1-CD1 3.2Å; I1752-N1756 VanDerWaalsContact CG2-C 3.49Å; I1752-N1756 HydrophobicContact CG2-CB 3.94Å; I1752-N1756 WeakPolarHBondContact CG2-O 3.25Å
1753K76.9Confident77.4Confident174 Ų17493.6 Ų93.676%0.75750%0.495SS*.  trans-75.8148.2174.2-66.6-177.61791790110.4R1755 N1756 S1757K1753-R1755 VanDerWaalsContact C-N 3.27Å; K1753-R1755 PolarHBondContact O-N 2.71Å; K1753-N1756 PolarHBondContact O-N 3.36Å; K1753-S1757 PolarHBondContact O-N 3.33Å
1754V65.3Low78.2Confident96 Ų9688.4 Ų88.458%0.58247%0.469SS*.G310 helixtrans-46.8-41.2-168.5-176.80000114.3N1756 S1757V1754-N1756 PolarHBondContact O-N 2.99Å; V1754-N1756 VanDerWaalsContact O-N 3.14Å; V1754-S1757 WeakPolarHBondContact O-CB 3.14Å; V1754-S1757 PolarHBondContact O-N 2.85Å; V1754-S1757 PolarHBondContact O-OG 2.77Å
1755R60.7Low79Confident245 Ų24578.6 Ų78.693%0.92543%0.426SS*.G310 helixtrans-56.1-29.3178.2-84.3-170.7172.8-174.2-2.5115.1K1753K1753-R1755 VanDerWaalsContact C-N 3.27Å; K1753-R1755 PolarHBondContact O-N 2.71Å
1756N64.1Low80Confident94 Ų9476.9 Ų76.950%0.50341%0.409SS..G310 helixtrans-108.68.1-178.3-63.469.3000111.8I1752 K1753 V1754 Q1758 D1759I1752-N1756 VanDerWaalsContact CG2-C 3.49Å; I1752-N1756 HydrophobicContact CG2-CB 3.94Å; I1752-N1756 WeakPolarHBondContact CG2-O 3.25Å; K1753-N1756 PolarHBondContact O-N 3.36Å; V1754-N1756 PolarHBondContact O-N 2.99Å; V1754-N1756 VanDerWaalsContact O-N 3.14Å; N1756-Q1758 PolarHBondContact O-N 3.21Å; N1756-D1759 WeakPolarHBondContact O-CB 3.35Å; N1756-D1759 PolarHBondContact O-N 3.03Å
1757S72.1Confident81Confident15 Ų1569.2 Ų69.211%0.10537%0.371CS..G310 helixtrans-66.1-37.3-174.858.50000112.7F1707 K1753 V1754 D1759 S1760 V1761F1707-S1757 WeakPolarHBondContact CE1-OG 3.29Å; K1753-S1757 PolarHBondContact O-N 3.33Å; V1754-S1757 WeakPolarHBondContact O-CB 3.14Å; V1754-S1757 PolarHBondContact O-N 2.85Å; V1754-S1757 PolarHBondContact O-OG 2.77Å; S1757-D1759 PolarHBondContact O-N 3.12Å; S1757-S1760 PolarHBondContact O-N 2.81Å; S1757-S1760 PolarHBondContact O-OG 3.35Å; S1757-V1761 PolarHBondContact O-N 3.1Å
1758Q77Confident82Confident107 Ų10766.4 Ų66.450%0.535%0.353SS..G310 helixtrans-62.3-26.3175.5-69.7-171.1-9.400113.4L1664 F1707 N1756 S1760 K1763L1664-Q1758 WeakPolarHBondContact CD2-O 3.24Å; F1707-Q1758 HydrophobicContact CB-CG 4.05Å; F1707-Q1758 HydrophobicContact CD1-CG 3.57Å; F1707-Q1758 HydrophobicContact CE1-CG 4.4Å; F1707-Q1758 HydrophobicContact CG-CG 4.01Å; N1756-Q1758 PolarHBondContact O-N 3.21Å; Q1758-S1760 PolarHBondContact O-N 3.48Å; Q1758-K1763 PolarHBondContact O-NZ 3.38Å
1759D82.4Confident82.9Confident92 Ų9267.4 Ų67.449%0.49235%0.35SS..G310 helixtrans-76.1-12.4176.9-50.6-39.5000112.3N1756 S1757N1756-D1759 WeakPolarHBondContact O-CB 3.35Å; N1756-D1759 PolarHBondContact O-N 3.03Å; S1757-D1759 PolarHBondContact O-N 3.12Å
1760S87.1Confident83.2Confident26 Ų2666.8 Ų66.818%0.18233%0.33CS..G310 helixtrans-105.4-5.9178.671.80000114.4R1733 V1734 S1757 Q1758R1733-S1760 CarbonylContact C-O 3.51Å; R1733-S1760 WeakPolarHBondContact CA-O 3.16Å; V1734-S1760 PolarHBondContact N-O 2.84Å; S1757-S1760 PolarHBondContact O-N 2.81Å; S1757-S1760 PolarHBondContact O-OG 3.35Å; Q1758-S1760 PolarHBondContact O-N 3.48Å
1761V91.2Very high82.4Confident8 Ų869.3 Ų69.35%0.04834%0.337CS..BIsolated β-bridgetrans-107.2119.4-175.4171.20000111.3F1707 W1731 S1757 K1763F1707-V1761 HydrophobicContact CD2-CB 4.3Å; F1707-V1761 HydrophobicContact CD2-CG1 4.18Å; F1707-V1761 HydrophobicContact CD2-CG2 3.86Å; F1707-V1761 HydrophobicContact CE2-CG2 3.73Å; W1731-V1761 HydrophobicContact CB-CG1 3.91Å; W1731-V1761 HydrophobicContact CB-CG2 3.88Å; W1731-V1761 HydrophobicContact CD2-CG1 4.31Å; W1731-V1761 HydrophobicContact CE3-CG1 3.97Å; W1731-V1761 HydrophobicContact CG-CG1 4.32Å; W1731-V1761 HydrophobicContact CG-CG2 4.2Å; S1757-V1761 PolarHBondContact O-N 3.1Å; V1761-K1763 PolarHBondContact O-NZ 2.99Å
1762G92.9Very high80.7Confident0 Ų066.8 Ų66.80%032%0.324CS..  trans-63.1142-178.300000112.1T1663 S1681 L1732T1663-G1762 WeakPolarHBondContact O-CA 3.31Å; S1681-G1762 WeakPolarHBondContact CB-O 3.47Å; S1681-G1762 PolarHBondContact N-O 3.37Å; S1681-G1762 PolarHBondContact OG-O 3.31Å; L1732-G1762 PolarHBondContact O-N 3.44Å
1763K95.8Very high79Confident34 Ų3470.6 Ų70.615%0.14834%0.344CS..EExtended strand (participates in β ladder)trans-85.8161.8-179.2-53.1-48.5175.3-141.70112S1661 T1663 L1664 I1666 G1679 S1681 Q1758 V1761S1661-K1763 PolarHBondContact N-O 2.78Å; S1661-K1763 PolarHBondContact OG-O 3.07Å; S1661-K1763 VanDerWaalsContact OG-O 3.12Å; T1663-K1763 PolarHBondContact O-N 2.85Å; L1664-K1763 VanDerWaalsContact O-CG 3.26Å; L1664-K1763 WeakPolarHBondContact O-CG 3.19Å; I1666-K1763 HydrophobicContact CG1-CB 4.09Å; I1666-K1763 HydrophobicContact CG1-CG 4.36Å; G1679-K1763 WeakPolarHBondContact O-CA 3.5Å; S1681-K1763 PolarHBondContact OG-O 2.79Å; Q1758-K1763 PolarHBondContact O-NZ 3.38Å; V1761-K1763 PolarHBondContact O-NZ 2.99Å
1764C97.3Very high77.2Confident0 Ų067.7 Ų67.70%035%0.346CS..EExtended strand (participates in β ladder)trans-140.3166.4177.760.70000110.9F1659 H1660 P1678 G1679 S1680 C1703F1659-C1764 CarbonylContact O-C 3.54Å; F1659-C1764 WeakPolarHBondContact O-CA 3.41Å; F1659-C1764 WeakPolarHBondContact O-CB 3.18Å; H1660-C1764 WeakPolarHBondContact ND1-CB 3.31Å; P1678-C1764 CarbonylContact C-O 3.59Å; P1678-C1764 WeakPolarHBondContact CA-O 3.17Å; G1679-C1764 PolarHBondContact N-O 2.85Å; G1679-C1764 PolarHBondContact O-N 2.74Å; G1679-C1764 PolarHBondContact O-SG 2.91Å; S1680-C1764 VanDerWaalsContact C-SG 3.56Å; C1703-C1764 WeakPolarHBondContact CA-SG 3.26Å; C1703-C1764 HydrophobicContact CB-CB 3.9Å; C1703-C1764 WeakPolarHBondContact CB-SG 3.12Å; C1703-C1764 WeakPolarHBondContact SG-CB 3.26Å; C1703-C1764 CovalentContact SG-SG 2.04Å; C1703-C1764 PolarHBondContact SG-SG 3.12Å
1765A97.3Very high75.7Confident0 Ų068.7 Ų68.70%035%0.352CS..EExtended strand (participates in β ladder)trans-139.7136.1170.800000109.1F1659 I1666 P1667 T1675 W1677F1659-A1765 PolarHBondContact N-O 3.47Å; F1659-A1765 PolarHBondContact O-N 3.24Å; I1666-A1765 HydrophobicContact CG2-CB 4.12Å; P1667-A1765 HydrophobicContact CG-CB 4.09Å; P1667-A1765 WeakPolarHBondContact O-CB 3.31Å; T1675-A1765 HydrophobicContact CG2-CB 4.26Å; W1677-A1765 WeakPolarHBondContact O-CA 3.26Å
1766V96.7Very high74.5Confident0 Ų064.2 Ų64.20%035%0.346CS..EExtended strand (participates in β ladder)trans-92.1128.2169.71800000109L1656 Y1657 A1658 L1676 W1677 P1700 C1703L1656-V1766 HydrophobicContact CB-CG1 4.22Å; L1656-V1766 HydrophobicContact CD2-CG1 4Å; L1656-V1766 HydrophobicContact CG-CG1 4.49Å; Y1657-V1766 WeakPolarHBondContact O-CA 3.23Å; A1658-V1766 HydrophobicContact CB-CG2 4.34Å; L1676-V1766 PolarHBondContact N-O 2.65Å; W1677-V1766 HydrophobicContact CD2-CB 3.89Å; W1677-V1766 HydrophobicContact CD2-CG1 4.48Å; W1677-V1766 HydrophobicContact CD2-CG2 4.08Å; W1677-V1766 VanDerWaalsContact CE2-CG2 3.44Å; W1677-V1766 HydrophobicContact CE3-CB 4.15Å; W1677-V1766 HydrophobicContact CE3-CG1 4.31Å; W1677-V1766 HydrophobicContact CG-CB 4.45Å; W1677-V1766 HydrophobicContact CH2-CB 4.18Å; W1677-V1766 HydrophobicContact CH2-CG1 3.8Å; W1677-V1766 HydrophobicContact CH2-CG2 4.27Å; W1677-V1766 HydrophobicContact CZ2-CB 3.94Å; W1677-V1766 HydrophobicContact CZ2-CG1 3.99Å; W1677-V1766 HydrophobicContact CZ2-CG2 3.58Å; W1677-V1766 HydrophobicContact CZ3-CB 4.26Å; W1677-V1766 HydrophobicContact CZ3-CG1 3.95Å; W1677-V1766 PolarHBondContact O-N 2.78Å; P1700-V1766 HydrophobicContact CB-CG1 3.87Å; P1700-V1766 HydrophobicContact CB-CG2 4.03Å; P1700-V1766 HydrophobicContact CG-CG1 3.86Å; C1703-V1766 HydrophobicContact CB-CG2 3.57Å
1767C95.4Very high73.3Confident0 Ų069 Ų690%036%0.363CS..EExtended strand (participates in β ladder)trans-123.1140.8-171.5-55.10000110.2L1656 Y1657 F1659 C1669 W1673 S1674L1656-C1767 VanDerWaalsContact CA-O 3.31Å; L1656-C1767 WeakPolarHBondContact CA-O 3.02Å; Y1657-C1767 PolarHBondContact N-O 3.11Å; Y1657-C1767 PolarHBondContact O-N 3.26Å; F1659-C1767 HydrophobicContact CD2-CB 3.94Å; F1659-C1767 VanDerWaalsContact CD2-SG 3.53Å; F1659-C1767 HydrophobicContact CE2-CB 3.88Å; C1669-C1767 WeakPolarHBondContact CA-SG 3.33Å; C1669-C1767 HydrophobicContact CB-CB 3.72Å; C1669-C1767 WeakPolarHBondContact CB-SG 3.41Å; C1669-C1767 WeakPolarHBondContact SG-CB 3.49Å; C1669-C1767 CovalentContact SG-SG 2.03Å; C1669-C1767 PolarHBondContact SG-SG 3.4Å; W1673-C1767 HydrophobicContact CB-CB 4.26Å; W1673-C1767 HydrophobicContact CE3-CB 4.05Å; S1674-C1767 CarbonylContact O-C 3.6Å; S1674-C1767 VanDerWaalsContact O-CA 3.31Å; S1674-C1767 WeakPolarHBondContact O-CA 2.93Å
1768M93.1Very high71.5Confident4 Ų478.8 Ų78.82%0.0240%0.399CS..EExtended strand (participates in β ladder)trans-120.9138.3174.4-174175.475.800109.8S1563 T1564 A1652 S1654 L1656 W1673 S1674 L1676 T1770S1563-M1768 WeakPolarHBondContact OG-CE 3.36Å; T1564-M1768 HydrophobicContact CG2-CE 4.34Å; T1564-M1768 HydrophobicContact CG2-SD 4.06Å; A1652-M1768 HydrophobicContact CB-SD 3.69Å; S1654-M1768 VanDerWaalsContact OG-CG 3.24Å; S1654-M1768 WeakPolarHBondContact OG-CG 3.36Å; L1656-M1768 HydrophobicContact CD1-CG 4.21Å; L1656-M1768 HydrophobicContact CD1-SD 4.17Å; L1656-M1768 HydrophobicContact CG-CB 4.27Å; L1656-M1768 HydrophobicContact CG-CG 4.41Å; W1673-M1768 CarbonylContact C-O 3.39Å; W1673-M1768 VanDerWaalsContact CA-O 3.26Å; W1673-M1768 WeakPolarHBondContact CA-O 3.44Å; S1674-M1768 PolarHBondContact N-O 3.47Å; S1674-M1768 PolarHBondContact O-N 3.23Å; S1674-M1768 PolarHBondContact OG-O 2.82Å; L1676-M1768 HydrophobicContact CD1-CB 3.85Å; L1676-M1768 HydrophobicContact CD1-SD 4.31Å; L1676-M1768 HydrophobicContact CD2-CB 4.18Å; L1676-M1768 HydrophobicContact CD2-CE 4.35Å; L1676-M1768 HydrophobicContact CG-CB 3.98Å; M1768-T1770 PolarHBondContact O-N 2.6Å
1769R88.7Confident69.3Low149 Ų14982.1 Ų82.156%0.56242%0.419SS*.EExtended strand (participates in β ladder)trans-74.4118-178.2-167.7176.6-178175.91.2109.9S1654 W1673S1654-R1769 WeakPolarHBondContact CB-O 2.92Å; S1654-R1769 PolarHBondContact OG-N 3.3Å; S1654-R1769 VanDerWaalsContact OG-N 3.14Å; S1654-R1769 PolarHBondContact OG-O 3.09Å; W1673-R1769 HydrophobicContact CD2-CB 3.79Å; W1673-R1769 HydrophobicContact CD2-CG 4.21Å; W1673-R1769 HydrophobicContact CE3-CB 3.85Å; W1673-R1769 HydrophobicContact CG-CB 4.46Å; W1673-R1769 HydrophobicContact CH2-CB 3.85Å; W1673-R1769 HydrophobicContact CZ2-CB 3.84Å; W1673-R1769 HydrophobicContact CZ2-CG 4.1Å; W1673-R1769 HydrophobicContact CZ3-CB 3.86Å
1770T79.9Confident66.9Low67 Ų6789.2 Ų89.241%0.41146%0.457SS..PPolyproline II helixtrans-78.8123.916850.10000108.6G1672 M1768G1672-T1770 PolarHBondContact O-N 3.47Å; G1672-T1770 PolarHBondContact O-OG1 3.21Å; M1768-T1770 PolarHBondContact O-N 2.6Å
1771Q59.7Low65.9Low125 Ų12592.4 Ų92.458%0.58447%0.471SS*.PPolyproline II helixtrans-63.8142167.5-61.7-171.920.300109L1773Q1771-L1773 PolarHBondContact O-N 3.49Å
1772P46.4Very low64.5Low98 Ų9896.8 Ų96.864%0.63649%0.493SS*.PPolyproline II helixtrans-65.5126.1174.627.7-33.3000109.6S1774P1772-S1774 VanDerWaalsContact C-N 3.29Å; P1772-S1774 PolarHBondContact O-N 3.29Å
1773L40.1Very low63Low148 Ų148102.2 Ų102.278%0.77552%0.52SS*.  trans-67.585.8173.2-81165.2000110.2Q1771 T1775Q1771-L1773 PolarHBondContact O-N 3.49Å; L1773-T1775 WeakPolarHBondContact O-CB 3.3Å; L1773-T1775 WeakPolarHBondContact O-CG2 2.98Å; L1773-T1775 PolarHBondContact O-N 2.6Å; L1773-T1775 PolarHBondContact O-OG1 3.32Å
1774S37.5Very low61Low113 Ų113106.2 Ų106.279%0.7954%0.542SS*.SBendtrans44.836.2160.962.10000116.8P1772P1772-S1774 VanDerWaalsContact C-N 3.29Å; P1772-S1774 PolarHBondContact O-N 3.29Å
1775T35.6Very low58.8Low117 Ų117112.8 Ų112.872%0.71858%0.576SS**  trans-12740.4-171.335.30000112.7L1773L1773-T1775 WeakPolarHBondContact O-CB 3.3Å; L1773-T1775 WeakPolarHBondContact O-CG2 2.98Å; L1773-T1775 PolarHBondContact O-N 2.6Å; L1773-T1775 PolarHBondContact O-OG1 3.32Å
1776L34.3Very low56.2Low151 Ų151120.3 Ų120.379%0.79162%0.615SS**SBendtrans-13817.6170.3-104.4167.9000113.1
1777F39.3Very low53.3Low195 Ų195128.9 Ų128.986%0.85566%0.658SS**SBendtrans-12217.1177.2-89.5-74.4000113.5
1778Y33.3Very low50.1Low221 Ų221138.8 Ų138.887%0.86771%0.709SS**SBendtrans-146.478.4169.2-84.7-75.5000109.2
1779L30.7Very low46.5Very low177 Ų177150.1 Ų150.193%0.92777%0.767SS**  trans178.374.6161.5-103164.5000109.2
1780N32.2Very low42.6Very low240 Ų240150.2 Ų150.2100%1.28379%0.785SS**  trans-162.30165-129.918.1000107.9

Retrieved 1,780 of 1,780 residues in 184.5 ms (Link to these results)