A0A077Z512_TRITR Loading...

Collagen alpha (Iv) chain

AlphaFold DB , UniProt , Accession A0A077Z512, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,784 aa.

>A0A077Z512_TRITR|A0A077Z512
MPISDWRTSFGGGEGKTTWRINVANQFFLKWSAAPRDSVTGLLCLSTCQYDPLLFQSPLCRDCSKRDCFCVGEKGNLGPPGPQGLPGMKGLPGFPGPEGLPGPKGEKGEPGPAGPMGHKGDRGKIGVPGFPGINGLPGIQGPQGPAGPPGLDGCNGTDGLPGLPGPSGPMGPPGFPGLPGMKGQKGEPALAFPGMKGEKGDPGTDGLPGLAGSPGFDGLPGQRGDRGEPGPVGPRGYPGEPGPPGNPGIGSIGPKGEPGDPGLPGPPGPPGSVNEFRDTKGAAVGPPGQPGMKGEKGEPGQAGERGFPGVPGRYGQPGPPGMKGEKGLPGPVGPRGKEGRAGMPGPIGFKGDRGVDGYPGLNGAPGAKGDRGIAGRDGEKGFQGPPGPPGGGLIGDGPPGERGPPGRPGPMGPPGADGIPGPPGQPGPQGPRGGQGLPGLPGREGLPGQKGEKGDAGIPGMPGERGSAGFPGQPGPKGEPGARGVPGSSIPGAPGKDGWPGLNGAVGKKGEPGPPGPRGIPGDSIHGVPGPVGPMGPKGDKGYDGQDGTPGWPGAPGPKGDKGGSCDYCRPGEKGEKGERGYDGAPGPQGQQGLPGIMGPAGPQGDDGLPGPPGRTGEVGPPGLVGRAGEKGQKGESFRGQAIQGPPGPPGLKGEPGLSGLPGEKGYAGLPGQPGLPGPAGERGLKGEMGIPGIPGRPGKDGAPGFPGQKGEAGFGIPGTPGMPGSKGDAGFPGLPGVQGPPGTPGLCPITGALPGPPGADGPPGPRGMKGEPGFPGIKGEQGAPGLLGLIGMKGNAGAPGLPGLPGSPGLMGEKGARGAPGAPGLMGPSGKDGLPGLPGGIGEKGEPGVSIPGLPGPPGFAGMKGERGFDGQPGLPGPPGRMGVPGIRGEKGEPGLVGLPGTPGAPGMKGDAGPAGSPGFDGPPGLPGPVGAPGLAGMKGEAGLPGMPGATGLKGEPGIPGLPGAKGAPGLTGPPGDTGSPGYAGLDGIKGEPGLPGAPGLPGQKGQRGRDGQPGFPGDKGEPGLVGMPGVPGINGAPGMKGERGFPGLPGEKGEPGRSAADGAKGEKGQPGLPGLRGLPGPPGMAGLQGPPGPKGETGVGYPGLPGRKGEPGAPGSPGLPGLQGLKGSLGPPGFPGAKGAAGLDGLPGVPGQKGLDGFPGQKGEPGFPGIVGPPGLPGEKGNMGVPGIRGDKGADGLPGRPGAPGMDGLPGLKGEIGFPGLPGAAGQPGLKGEPGFPGVPGAKGERGLPGSDGAPGLMGAKGEAGIPGMPGQRGLDGLPGQKGEPGLPGIAGPPGIGIKGDRGEPGFPGLPGKGLPGFPGPKGDRGLDGAPGVPGMKGSDGFPGAPGMKGEAGFPGSPGERGLDGIPGPKGEAGIPGLPGAQGEAGLPGMEGPPGMPGLPGMKGNVGLPGFPGLKGEPGFPGSPGAPGAAGMKGEPGFPGLRGIDGAKGDKGEMGPMGPPGPKSIVEPGPMGPPGTRGPPGLPGIPGPPGMDGLPGFPGQKGEPGLTGSDGLPGSPGFPGQKGELGFPGAAGLAGSPGQPGPPGTPGMPGPPGPGYRDGFVIVKHSQSTEIPTCGPGQHKLWDGFSLLYIEGNEKSHNQDLGSAGSCLTRFSTMPFLFCDVNNVCNYASRNDKSYWLSTTESIPMMPVADREIEQHVSRCVVCEASANVIAVHSQSSIVPDCPRGWSGLWDGYSFAMHTAAGAEGGGQPLSSPGSCLQHFRSTPFIECNGARGTCHYFTNKYSFWLTTIDEQQQFIIPQSETLKAGNLIRRLSRCQVCIRSV
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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
1M29.1Very low32.4Very low231 Ų231152.3 Ų152.3100%1.13881%0.809SS**  01510-60.5175.3177.300107.9
2P42.3Very low32.3Very low116 Ų116147.3 Ų147.375%0.75382%0.822SS**  cis-92.6168.2-24.31.622.3000110.3
3I35.2Very low32.5Very low156 Ų156141.8 Ų141.880%0.882%0.819SS**  cis74.6133.342.9-54.6164.5000110.1
4S33.8Very low32.8Very low104 Ų104144.9 Ų144.973%0.72782%0.822SS**  cis-153.3165.114.338.80000114
5D34.4Very low33Very low138 Ų138140.3 Ų140.374%0.73882%0.82SS**  trans-65172.5155.5-41.3-102.7000112.9
6W31Very low33Very low222 Ų222142.6 Ų142.684%0.84182%0.817SS**  179178.7107.6-104.481000113.4
7R27.4Very low33.1Very low202 Ų202141.9 Ų141.976%0.76282%0.815SS**  trans-94.7173.2-164.7-64.5172.8165.7176.8-5.1115.2
8T31.4Very low32.9Very low125 Ų125139.6 Ų139.677%0.76780%0.804SS**  trans72.9114.1145.132.60000120.7
9S27.8Very low32.7Very low99 Ų99143.3 Ų143.369%0.69280%0.804SS**  20.9109.3129.9178.10000118.8
10F32.4Very low32.6Very low207 Ų207147.1 Ų147.191%0.90881%0.805SS**  -174.9151.7119-109.6-75.3000111.1
11G31.2Very low32.5Very low75 Ų75147 Ų14777%0.77380%0.802SS**  trans60.388.5153.500000119.4
12G31.8Very low32.6Very low93 Ų93142.8 Ų142.896%0.95978%0.784SS**  trans-91.9116.3159.100000111.2
13G34.5Very low32.2Very low76 Ų76143.7 Ų143.778%0.78479%0.787SS**  trans-125.2146.7173.500000111.4
14E37Very low32.4Very low184 Ų184140.3 Ų140.386%0.8678%0.783SS**  trans-76.2149.1-172.7-64.5-171.792.200114.3
15G35.3Very low32.5Very low77 Ų77142.5 Ų142.579%0.79479%0.786SS**  trans-167.3102.4171.900000113.6
16K33.8Very low32.7Very low177 Ų177142.9 Ų142.977%0.7778%0.784SS**  trans-79162.1169.2-62.3150.9-175156.20108.1
17T33.7Very low32.9Very low130 Ų130139.7 Ų139.780%0.79878%0.776SS**  cis-165.8163.740-42.40000111.3
18T30.7Very low33.1Very low100 Ų100137.6 Ų137.661%0.61377%0.773SS**  trans-87166.1177.846.20000115.1
19W29.5Very low33.2Very low211 Ų211137.7 Ų137.780%0.79977%0.768SS**  162.3142.9112.7-85.4116.8000117.1
20R29.6Very low33.3Very low219 Ų219140.4 Ų140.483%0.82677%0.767SS**  trans70.3139.3161.6-64.5170.8-176.2-170.80117.5
21I30.7Very low33.2Very low144 Ų144141.4 Ų141.474%0.73877%0.765SS**  cis83.4129.522.3-54.7164.7000113.2
22N31.4Very low33.1Very low143 Ų143142.4 Ų142.477%0.76576%0.76SS**  cis-116.5-146.85.6-150.82.7000110.9
23V34.6Very low33.1Very low135 Ų135142.7 Ų142.782%0.81875%0.753SS**  cis-140.3172.911.9-176.70000108.7
24A38.3Very low32.9Very low86 Ų86143.4 Ų143.471%0.71175%0.752SS**  trans-123.4158.1-172.100000116.5
25N36.7Very low33.1Very low149 Ų149139.9 Ų139.980%0.79775%0.745SS**  trans-156169.2137.4-132.6-19.6000114.8
26Q37.8Very low32.8Very low146 Ų146146.7 Ų146.768%0.68275%0.747SS**  trans-70.3167.5-163-63.2159.6-9.900115.5
27F34.5Very low32.9Very low155 Ų155144.5 Ų144.568%0.6874%0.744SS**  -161.6138.353.1-107.8-96.3000116.7
28F33.3Very low32.7Very low158 Ų158143.3 Ų143.369%0.69374%0.741SS**  trans69.4120.6136.9-88.1-147.2000126.6
29L32.6Very low32.9Very low128 Ų128144.5 Ų144.567%0.6775%0.747SS**  69.2145.4124.4-65.9-164.1000122.3
30K29.8Very low33Very low156 Ų156140.9 Ų140.968%0.67875%0.749SS**  cis-169.2124.6-13.9-159.6-178.4-170.9-179.90112.9
31W29.7Very low33.1Very low228 Ų228133.9 Ų133.986%0.86474%0.744SS**  trans58.5161.8139.8-69.742.1000121.1
32S30.6Very low33.3Very low96 Ų96134.5 Ų134.567%0.67175%0.749SS**  cis-163167.7-21.6-97.80000111.5
33A30.5Very low33.3Very low98 Ų98134.9 Ų134.981%0.8175%0.75SS**  trans-87.8174.5-178.500000115.3
34A31.4Very low33Very low91 Ų91133.4 Ų133.475%0.75274%0.744SS**  trans-88.1157.4158.800000110.5
35P40Very low32.8Very low110 Ų110137.1 Ų137.171%0.71475%0.751SS**  -159.5168.99642.3-24.1000117.7
36R30.5Very low32.4Very low220 Ų220134.7 Ų134.783%0.8375%0.746SS**  trans59.5160.6139.8-76.8178.8-164.2-177.23.3120.4
37D34.3Very low32.3Very low132 Ų132132.5 Ų132.571%0.70674%0.743SS**  cis-151.6163.72.1-105.8-33.5000111.5
38S29.5Very low32.2Very low105 Ų105130.3 Ų130.373%0.73475%0.746SS**  trans25.9164.7141.9-126.30000123.6
39V35.7Very low32.3Very low124 Ų124129.2 Ų129.275%0.75274%0.742SS**  cis-136.9-123.612.8-157.10000113
40T32Very low32.3Very low136 Ų136132.8 Ų132.883%0.83475%0.749SS**  trans-156.4154.7-162.757.60000116.7
41G32Very low32.6Very low71 Ų71130 Ų13073%0.73274%0.741SS**  trans119.7146.5154.800000116
42L34.5Very low33.2Very low158 Ų158124.5 Ų124.583%0.82774%0.735SS**  cis-159.4157.6-4-150.881.4000111.4
43L31Very low33.6Very low150 Ų150126.4 Ų126.479%0.78574%0.737SS**  trans3.2150154.3-68.9167.3000121.4
44C28.3Very low33.9Very low105 Ų105128.6 Ų128.671%0.70973%0.734SS**  cis-172.7179-7.6-162.50000111.1
45L34Very low34.1Very low164 Ų164131.3 Ų131.386%0.85973%0.729SS**  trans74.3151.3173.2-55.8167.2000117.8
46S29.3Very low33.5Very low97 Ų97134.1 Ų134.168%0.67873%0.733SS**  cis-169.8140.1-32.9-171.50000111.9
47T33.9Very low33.3Very low100 Ų100128.7 Ų128.761%0.61373%0.729SS**  trans77.4116.8168.472.40000122.1
48C33.9Very low33.7Very low110 Ų110127.6 Ų127.674%0.74373%0.729SS**  trans58.9138.9131.3-64.80000121.3
49Q34.8Very low33.8Very low134 Ų134130.2 Ų130.263%0.62673%0.734SS**  cis-157.3145.4-5-159.7131.3-6.300108.3D51Q49-D51 PolarHBondContact NE2-OD2 3.44Å
50Y32.8Very low33.3Very low204 Ų204129.6 Ų129.680%0.873%0.734SS**  -163.6150.888.8-110-85.8000113.3
51D36.4Very low33.1Very low96 Ų96132.5 Ų132.551%0.51373%0.729SS.*  trans-73.9178.1178.2-61-87.6000114.4Q49Q49-D51 PolarHBondContact NE2-OD2 3.44Å
52P42.8Very low32.9Very low114 Ų114133.3 Ų133.374%0.7472%0.717SS**  cis-123.9151.1-211.914.7000115.9
53L38.7Very low33.1Very low136 Ų136131.9 Ų131.971%0.71272%0.718SS**  61.2142.285.3-46-171.9000114.9
54L37.1Very low33.4Very low144 Ų144129.3 Ų129.375%0.75471%0.713SS**  cis-165.1167.3-1.7-139.974.2000106.2
55F35.3Very low33.7Very low148 Ų148133.1 Ų133.165%0.64972%0.718SS**  cis-155.9163.6-13.4-144.5-133.4000104.9
56Q26.3Very low33.8Very low168 Ų168135.4 Ų135.479%0.78572%0.715SS**  cis79.4154.624.9-64.9175.5-14.200116.3
57S25.9Very low34.2Very low107 Ų107136.6 Ų136.675%0.74871%0.714SS**  trans-128.4-132-160.150.10000115
58P44.7Very low34.5Very low109 Ų109136.8 Ų136.871%0.70872%0.718SS**  trans-123.4-174.2-13839.8-19.9000117.9
59L31Very low34.5Very low160 Ų160139.8 Ų139.884%0.83872%0.719SS**  trans84.5156.6153.7-102.1156.2000121.2
60C25.4Very low35Very low111 Ų111139 Ų13975%0.7573%0.727SS**  trans70.4169.9165.9-690000119.6
61R27.7Very low35.1Very low196 Ų196136.4 Ų136.474%0.7473%0.732SS**  cis-170.3140.5-46.4-162.6-174.1179.1154.85.1108.9
62D28Very low35.1Very low88 Ų88135.2 Ų135.247%0.47174%0.742SS.*  trans63.9145.3163.6-65.2-31.1000121.3R1653D62-R1653 IonicContact OD1-CZ 2.64Å; D62-R1653 IonicContact OD1-NH1 3.25Å; D62-R1653 PolarHBondContact OD1-NH1 2.95Å; D62-R1653 IonicContact OD1-NH2 2.98Å; D62-R1653 PolarHBondContact OD1-NH2 3.09Å; D62-R1653 IonicContact OD2-NH1 2.65Å; D62-R1653 PolarHBondContact OD2-NH1 2.78Å
63C37.7Very low34.8Very low128 Ų128139.4 Ų139.487%0.86575%0.751SS**  trans-132127.2172.8-69.50000109.7
64S36.7Very low34.5Very low96 Ų96141.9 Ų141.967%0.67176%0.756SS**  trans170.6160.1156.962.10000109.7
65K36.1Very low34.7Very low185 Ų185138.4 Ų138.480%0.80476%0.756SS**SBendcis-125.3144.7-14.3-87.899.5-164.1155.30106.2
66R35.5Very low34.7Very low212 Ų212138.8 Ų138.880%0.877%0.765SS**SBendcis-130-160.1-1-44.9-178-174.71801.3108.6
67D37.8Very low35.4Very low122 Ų122139 Ų13965%0.65277%0.77SS**  cis-144.8174.4-3.4-136-27.1000110.3
68C40.5Very low36.4Very low105 Ų105136.4 Ų136.471%0.70976%0.76SS**  trans-104.7145.5-161.8-55.80000115.4
69F34.2Very low36.6Very low173 Ų173136.9 Ų136.976%0.75976%0.764SS**  -173.2168.7104.2-119.1-93.7000112.9V528F69-V528 HydrophobicContact CZ-CG1 3.99Å
70C45.1Very low37.5Very low117 Ų117135.4 Ų135.479%0.79176%0.763SS**  trans-128.6130.5-172.6-560000114.1
71V33.2Very low38.6Very low150 Ų150133 Ų13391%0.90976%0.757SS**  trans-152138145.1-1720000104.5
72G37.9Very low39.6Very low70 Ų70129.7 Ų129.772%0.72276%0.761SS**  cis126.9906.600000109.4
73E35.1Very low40.5Very low202 Ų202134.6 Ų134.694%0.94478%0.781SS**  trans-139.9162.6176.7-142.6174.7-135.600113.1
74K33.8Very low40.7Very low188 Ų188131.3 Ų131.382%0.81777%0.769SS**  trans-102.398.5-148.1-177.3-179.2177.6-178.40112
75G41.3Very low41Very low72 Ų72134.6 Ų134.674%0.74278%0.778SS**PPolyproline II helixtrans-60.8135.4167.900000111.6
76N35.2Very low41.7Very low156 Ų156131.4 Ų131.483%0.83478%0.776SS**PPolyproline II helixtrans-67156.5178-71.4-43.4000111.7G78N76-G78 PolarHBondContact O-N 3.47Å
77L40.2Very low42Very low172 Ų172124.6 Ų124.690%0.90177%0.773SS**PPolyproline II helixtrans-54.7124.7172-11473000109.9
78G47.7Very low42.1Very low52 Ų52127.7 Ų127.754%0.53679%0.785SS.*PPolyproline II helixtrans-64.9159.6160.300000110.3N76N76-G78 PolarHBondContact O-N 3.47Å
79P47.4Very low42.2Very low120 Ų120132.5 Ų132.578%0.77979%0.794SS**PPolyproline II helixtrans-56.3146.616927-34.6000109.5G81P79-G81 PolarHBondContact O-N 3.21Å; P79-G81 VanDerWaalsContact O-N 3.16Å
80P50.9Low42.5Very low128 Ų128127.2 Ų127.283%0.83179%0.788SS**PPolyproline II helixtrans-51.6125.8173.9-25.834.6000110
81G49.1Very low42.2Very low61 Ų61129.8 Ų129.863%0.62979%0.793SS**PPolyproline II helixtrans-57.4146.8175.200000110P79 Q83P79-G81 PolarHBondContact O-N 3.21Å; P79-G81 VanDerWaalsContact O-N 3.16Å; G81-Q83 PolarHBondContact O-N 2.96Å
82P48.3Very low42.8Very low127 Ų127128.2 Ų128.283%0.82579%0.786SS**PPolyproline II helixtrans-53.3135.517624.4-34000109.1G84P82-G84 PolarHBondContact O-N 2.99Å
83Q45.9Very low42.7Very low190 Ų190128.1 Ų128.189%0.88879%0.785SS**PPolyproline II helixtrans-49.8118.6-176.1-178.1176.5-100109.4G81 L85G81-Q83 PolarHBondContact O-N 2.96Å; Q83-L85 PolarHBondContact O-N 3.24Å
84G42.5Very low42.7Very low59 Ų59126.8 Ų126.861%0.60878%0.776SS**PPolyproline II helixtrans-54.2136.9-177.200000110.3P82P82-G84 PolarHBondContact O-N 2.99Å
85L44.2Very low43.2Very low165 Ų165123.7 Ų123.786%0.86478%0.775SS**  trans-45.7131.1176.2-72.8170.9000109.2Q83 G87Q83-L85 PolarHBondContact O-N 3.24Å; L85-G87 PolarHBondContact O-N 3.13Å
86P50.6Low43.3Very low118 Ų118123.2 Ų123.277%0.76677%0.77SS**  trans-48.1120.6176.7-28.835.3000109.5M88P86-M88 PolarHBondContact O-N 3.17Å
87G42.2Very low43.5Very low70 Ų70122 Ų12272%0.72277%0.771SS**  trans-51.2130.8-17000000110.4L85 K89L85-G87 PolarHBondContact O-N 3.13Å; G87-K89 PolarHBondContact O-N 3.14Å
88M39Very low43.3Very low186 Ų186122.5 Ų122.592%0.91677%0.769SS**  trans-45.5119.9-175.1-72.1179.169.200109.6P86 G90P86-M88 PolarHBondContact O-N 3.17Å; M88-G90 PolarHBondContact O-N 2.97Å
89K42.7Very low42.8Very low207 Ų207123.1 Ų123.190%0.978%0.775SS**  trans-47.7116.1-179.7-174.8179.8-177.6-178.70107.5G87 L91G87-K89 PolarHBondContact O-N 3.14Å; K89-L91 PolarHBondContact O-N 2.98Å
90G39.6Very low42.3Very low61 Ų61125.3 Ų125.363%0.62978%0.779SS**  trans-49.8136.8-165.400000111.2M88 P92M88-G90 PolarHBondContact O-N 2.97Å; G90-P92 VanDerWaalsContact O-N 3.12Å
91L39Very low41.8Very low172 Ų172124.7 Ų124.790%0.90178%0.775SS**  trans-44122.4178.5-81.3162.6000108.8K89 G93K89-L91 PolarHBondContact O-N 2.98Å; L91-G93 PolarHBondContact O-N 3.44Å; L91-G93 VanDerWaalsContact O-N 3.16Å
92P45.3Very low41.4Very low117 Ų117124.8 Ų124.876%0.7678%0.776SS**  trans-50.6127.4171.8-25.834.7000108.2G90 F94G90-P92 VanDerWaalsContact O-N 3.12Å; P92-F94 PolarHBondContact O-N 3.26Å
93G36.9Very low41Very low67 Ų67124.9 Ų124.969%0.69178%0.777SS**  trans-53.4137.2178.700000109.3L91 P95L91-G93 PolarHBondContact O-N 3.44Å; L91-G93 VanDerWaalsContact O-N 3.16Å; G93-P95 VanDerWaalsContact O-N 3.14Å
94F34.7Very low40.6Very low175 Ų175125 Ų12577%0.76877%0.774SS**  trans-43.5124179.2-80.5-87000109.6P92 G96P92-F94 PolarHBondContact O-N 3.26Å; F94-G96 PolarHBondContact O-N 3.34Å; F94-G96 VanDerWaalsContact O-N 3.12Å
95P44.3Very low40.6Very low122 Ų122125.7 Ų125.779%0.79278%0.782SS**PPolyproline II helixtrans-51.2124.9174.5-2735000108.8G93G93-P95 VanDerWaalsContact O-N 3.14Å
96G42.8Very low40.2Very low62 Ų62126.3 Ų126.364%0.63978%0.78SS**PPolyproline II helixtrans-55.5137.7174.800000108.7F94 E98F94-G96 PolarHBondContact O-N 3.34Å; F94-G96 VanDerWaalsContact O-N 3.12Å; G96-E98 PolarHBondContact O-N 3.01Å; G96-E98 VanDerWaalsContact O-N 3.14Å
97P40.1Very low39.5Very low131 Ų131130.8 Ų130.885%0.85179%0.788SS**PPolyproline II helixtrans-53.1125.9-176.622-33.3000109.2G99P97-G99 PolarHBondContact O-N 2.76Å
98E36.1Very low39.4Very low183 Ų183130.1 Ų130.186%0.85578%0.781SS**  trans-55.8113-166.7-169.2170.5-147.800109.9G96 L100G96-E98 PolarHBondContact O-N 3.01Å; G96-E98 VanDerWaalsContact O-N 3.14Å; E98-L100 PolarHBondContact O-N 3.28Å; E98-L100 VanDerWaalsContact O-N 3.11Å
99G36.8Very low38.8Very low64 Ų64129.9 Ų129.966%0.6678%0.778SS**  trans-60.8119-171.600000109.8P97 P101P97-G99 PolarHBondContact O-N 2.76Å; G99-P101 VanDerWaalsContact O-N 3.07Å
100L36.6Very low38.9Very low167 Ų167122.3 Ų122.387%0.87475%0.75SS**  trans-37.3115.3-176.1-76173.4000110.5E98 G102E98-L100 PolarHBondContact O-N 3.28Å; E98-L100 VanDerWaalsContact O-N 3.11Å; L100-G102 PolarHBondContact O-N 3.27Å
101P42Very low38.9Very low115 Ų115121.4 Ų121.475%0.74774%0.74SS**  trans-52.3106.9-168.7-32.736.6000112.1G99G99-P101 VanDerWaalsContact O-N 3.07Å
102G39.4Very low38.7Very low63 Ų63117.8 Ų117.865%0.64973%0.727SS**  trans-56.6127.8-177.400000109.4L100 K104L100-G102 PolarHBondContact O-N 3.27Å; G102-K104 PolarHBondContact O-N 2.85Å; G102-K104 VanDerWaalsContact O-N 3.13Å
103P40Very low38.3Very low129 Ų129117.1 Ų117.184%0.83873%0.731SS**  trans-56.1125.2-17722.3-32.7000109G105P103-G105 PolarHBondContact O-N 3.21Å
104K37.3Very low38.4Very low191 Ų191116.5 Ų116.583%0.8373%0.725SS**  trans-52.5109.9-172-179.2-167.4174.4-161.30109.5G102 E106G102-K104 PolarHBondContact O-N 2.85Å; G102-K104 VanDerWaalsContact O-N 3.13Å; K104-E106 PolarHBondContact O-N 3.12Å
105G43.5Very low38.3Very low74 Ų74114.4 Ų114.476%0.76373%0.729SS**  trans-63.4100.7-17200000112.8P103P103-G105 PolarHBondContact O-N 3.21Å
106E36.2Very low38Very low179 Ų179117.3 Ų117.384%0.83673%0.734SS**  trans-74.7126168.7-62.1-168.2145.100109.6K104K104-E106 PolarHBondContact O-N 3.12Å
107K36.2Very low37.7Very low211 Ų211117.2 Ų117.292%0.91773%0.733SS**  trans-131.695177.2-174.3-178.4-1791800108.3
108G39.2Very low37.5Very low57 Ų57120 Ų12059%0.58874%0.735SS**  cis135.4172.8-2.300000111.1P110G108-P110 WeakPolarHBondContact O-CD 3.3Å
109E26.1Very low37.3Very low180 Ų180121.1 Ų121.184%0.84174%0.737SS**  trans-102.392.5167.3-71.5-164.8167.500109.8A1244E109-A1244 HydrophobicContact CB-CB 4.27Å
110P44.3Very low37.4Very low48 Ų48121 Ų12131%0.31274%0.736SS.*PPolyproline II helixtrans-68.2133.6-173.425.5-36000112.8G108 A1244 K1245G108-P110 WeakPolarHBondContact O-CD 3.3Å; P110-A1244 HydrophobicContact CG-CB 4.35Å; P110-A1244 CarbonylContact O-C 2.91Å; P110-A1244 WeakPolarHBondContact O-CA 3.43Å; P110-A1244 VanDerWaalsContact O-CB 3.23Å; P110-A1244 WeakPolarHBondContact O-CB 3.31Å; P110-K1245 HydrophobicContact CB-CB 3.92Å; P110-K1245 HydrophobicContact CB-CD 4.12Å; P110-K1245 HydrophobicContact CB-CG 3.9Å; P110-K1245 HydrophobicContact CG-CB 4.09Å; P110-K1245 HydrophobicContact CG-CG 4.3Å; P110-K1245 WeakPolarHBondContact CG-O 3.5Å; P110-K1245 PolarHBondContact O-N 2.74Å
111G40.8Very low37.2Very low42 Ų42120.1 Ų120.143%0.43373%0.732SS.*PPolyproline II helixtrans-68.3162.5-176.900000115.5K1245G111-K1245 WeakPolarHBondContact O-CB 3.27Å; G111-K1245 WeakPolarHBondContact O-CD 3.27Å
112P33.7Very low37.2Very low97 Ų97125.4 Ų125.463%0.6374%0.736SS**PPolyproline II helixtrans-59.4164.5-179.926.9-35.8000112.9G114P112-G114 PolarHBondContact O-N 2.88Å
113A38.6Very low37.3Very low102 Ų102125.2 Ų125.284%0.84374%0.735SS**  trans-62.7104.118000000111.3
114G38.8Very low37Very low55 Ų55128.3 Ų128.357%0.56774%0.735SS**  trans-61.5161.6167.600000111.5P112P112-G114 PolarHBondContact O-N 2.88Å
115P31.7Very low37.1Very low130 Ų130125.7 Ų125.784%0.84473%0.729SS**  trans-55.5143.7179.225.3-34.7000110.6G117P115-G117 PolarHBondContact O-N 3.15Å
116M38.4Very low36.9Very low184 Ų184125 Ų12591%0.90672%0.722SS**  trans-57.795.7-177.5176.9169.754.200110.6H118M116-H118 PolarHBondContact O-N 3.37Å
117G36.8Very low36.9Very low59 Ų59122.7 Ų122.761%0.60872%0.72SS**  trans-57136.8175.700000109.8P115 K119P115-G117 PolarHBondContact O-N 3.15Å; G117-K119 PolarHBondContact O-N 3.16Å; G117-K119 VanDerWaalsContact O-N 3.14Å
118H34.5Very low37.1Very low191 Ų191117.8 Ų117.888%0.88471%0.709SS**  trans-50.1125.5177.4-68.2-90.6000109.3M116 G120M116-H118 PolarHBondContact O-N 3.37Å; H118-G120 PolarHBondContact O-N 3.27Å
119K33.6Very low37Very low206 Ų206118.2 Ų118.290%0.89671%0.714SS**  trans-53.2101.2179.8177.6-177.1179.3178.80108.4G117 D121G117-K119 PolarHBondContact O-N 3.16Å; G117-K119 VanDerWaalsContact O-N 3.14Å; K119-D121 PolarHBondContact O-N 2.78Å
120G38.5Very low37.3Very low62 Ų62119.1 Ų119.164%0.63972%0.716SS**  trans-53.4134.3-17100000110.6H118 R122H118-G120 PolarHBondContact O-N 3.27Å; G120-R122 PolarHBondContact O-N 3.47Å; G120-R122 VanDerWaalsContact O-N 3.16Å
121D32.5Very low37.4Very low148 Ų148122.5 Ų122.579%0.79174%0.737SS**  trans-49.8126.3178.8-79.7-56.2000109.2K119 G123K119-D121 PolarHBondContact O-N 2.78Å; D121-G123 PolarHBondContact O-N 3.04Å
122R40.4Very low37.3Very low225 Ų225123.5 Ų123.585%0.84975%0.748SS**  trans-57.2106.4-179.2-177.2-177.9-169.8165.94.8107G120 K124G120-R122 PolarHBondContact O-N 3.47Å; G120-R122 VanDerWaalsContact O-N 3.16Å; R122-K124 PolarHBondContact O-N 2.99Å
123G41.8Very low37.4Very low60 Ų60126.6 Ų126.662%0.61976%0.757SS**  trans-46.2129.4-175.100000109.5D121 I125D121-G123 PolarHBondContact O-N 3.04Å; G123-I125 PolarHBondContact O-N 3.47Å
124K35.2Very low37.2Very low193 Ų193128.9 Ų128.984%0.83976%0.755SS**  trans-44122.3-179.1-66.1179.5-177.8176.80107.3R122 G126R122-K124 PolarHBondContact O-N 2.99Å; K124-G126 PolarHBondContact O-N 3.39Å
125I39Very low37.3Very low137 Ų137129.4 Ų129.470%0.70376%0.761SS**  trans-49.8114.2-176.9-67.9173.5000106.4G123 V127G123-I125 PolarHBondContact O-N 3.47Å; I125-V127 PolarHBondContact O-N 3.45Å
126G39Very low37.6Very low60 Ų60130.9 Ų130.962%0.61976%0.761SS**  trans-53134.1-179.400000107.7K124 P128K124-G126 PolarHBondContact O-N 3.39Å; G126-P128 WeakPolarHBondContact O-CD 3.44Å
127V35.1Very low37.9Very low130 Ų130127.6 Ų127.679%0.78875%0.753SS**  trans-45.1117.2-179-179.10000106.9I125 G129I125-V127 PolarHBondContact O-N 3.45Å; V127-G129 PolarHBondContact O-N 2.8Å
128P42Very low38.3Very low107 Ų107128.3 Ų128.370%0.69576%0.76SS**  trans-51.7119.5-174.2-29.735.8000108.3G126 F130G126-P128 WeakPolarHBondContact O-CD 3.44Å; P128-F130 PolarHBondContact O-N 3.29Å
129G37.2Very low38.8Very low67 Ų67127 Ų12769%0.69176%0.758SS**  trans-51.8131-173.500000108.7V127 P131V127-G129 PolarHBondContact O-N 2.8Å; G129-P131 WeakPolarHBondContact O-CD 3.48Å
130F31.5Very low39.3Very low199 Ų199126 Ų12687%0.87376%0.757SS**  trans-44.6121.5178.3-76.4-87000108.1P128 G132P128-F130 PolarHBondContact O-N 3.29Å; F130-G132 PolarHBondContact O-N 2.72Å; F130-G132 VanDerWaalsContact O-N 3.08Å
131P45.8Very low40.1Very low118 Ų118125.7 Ų125.777%0.76675%0.754SS**  trans-50.4124.8177.1-27.935.2000108.1G129 I133G129-P131 WeakPolarHBondContact O-CD 3.48Å; P131-I133 PolarHBondContact O-N 2.82Å
132G39.7Very low40.6Very low63 Ų63124.7 Ų124.765%0.64976%0.755SS**  trans-51127.9-176.500000108.8F130 N134F130-G132 PolarHBondContact O-N 2.72Å; F130-G132 VanDerWaalsContact O-N 3.08Å; G132-N134 PolarHBondContact O-N 3.44Å
133I35.6Very low40.9Very low162 Ų162123.2 Ų123.283%0.83176%0.758SS**  trans-55.5110.6-174.9-55.1171.8000106.9P131 G135P131-I133 PolarHBondContact O-N 2.82Å; I133-G135 PolarHBondContact O-N 3.3Å; I133-G135 VanDerWaalsContact O-N 3.08Å
134N33.5Very low41.6Very low150 Ų150123 Ų12380%0.80276%0.755SS**  trans-53.9122.3175.8-79.4-22.1000107G132 L136G132-N134 PolarHBondContact O-N 3.44Å; N134-L136 PolarHBondContact O-N 3.32Å; N134-L136 VanDerWaalsContact O-N 3.17Å
135G41.8Very low42.3Very low67 Ų67120 Ų12069%0.69176%0.755SS**  trans-51.3126.9-176.300000109.6I133 P137I133-G135 PolarHBondContact O-N 3.3Å; I133-G135 VanDerWaalsContact O-N 3.08Å; G135-P137 WeakPolarHBondContact O-CD 3.28Å
136L37.3Very low43.1Very low161 Ų161118.1 Ų118.184%0.84376%0.761SS**  trans-44.5117.9179.8-80164000108.7N134 G138N134-L136 PolarHBondContact O-N 3.32Å; N134-L136 VanDerWaalsContact O-N 3.17Å; L136-G138 PolarHBondContact O-N 3.1Å; L136-G138 VanDerWaalsContact O-N 3.15Å
137P45.8Very low43.9Very low115 Ų115118.1 Ų118.175%0.74776%0.76SS**  trans-52127.3173.6-26.435000108G135 I139G135-P137 WeakPolarHBondContact O-CD 3.28Å; P137-I139 PolarHBondContact O-N 3.19Å; P137-I139 VanDerWaalsContact O-N 3.11Å
138G44.8Very low44.4Very low73 Ų73117.8 Ų117.875%0.75376%0.761SS**  trans-50.1123.6-173.100000109.7L136 Q140L136-G138 PolarHBondContact O-N 3.1Å; L136-G138 VanDerWaalsContact O-N 3.15Å; G138-Q140 PolarHBondContact O-N 3.4Å
139I44Very low44.8Very low165 Ų165118.3 Ų118.385%0.84676%0.764SS**  trans-51.4114.9-174.2-52.9172.3000107.1P137 G141P137-I139 PolarHBondContact O-N 3.19Å; P137-I139 VanDerWaalsContact O-N 3.11Å; I139-G141 PolarHBondContact O-N 3.19Å
140Q44.9Very low45.2Very low185 Ų185118.1 Ų118.186%0.86476%0.763SS**PPolyproline II helixtrans-57120.3178.6-174173.410.600106.9G138G138-Q140 PolarHBondContact O-N 3.4Å
141G54.7Low45.6Very low55 Ų55117.1 Ų117.157%0.56777%0.765SS**PPolyproline II helixtrans-51.4136.5-174.300000109.6I139 Q143I139-G141 PolarHBondContact O-N 3.19Å; G141-Q143 PolarHBondContact O-N 3.23Å
142P42.8Very low45.5Very low127 Ų127119.2 Ų119.283%0.82577%0.77SS**PPolyproline II helixtrans-52.9130.1-175.322.9-33.6000108.8G144P142-G144 PolarHBondContact O-N 3.23Å; P142-G144 VanDerWaalsContact O-N 3.12Å
143Q48.1Very low46.1Very low194 Ų194119.3 Ų119.391%0.90777%0.772SS**PPolyproline II helixtrans-50.6124.6177.7-173.4174.118.200108G141G141-Q143 PolarHBondContact O-N 3.23Å
144G56.2Low46.3Very low55 Ų55113.5 Ų113.557%0.56775%0.745SS**PPolyproline II helixtrans-51.8141.4-177.200000109.9P142 A146P142-G144 PolarHBondContact O-N 3.23Å; P142-G144 VanDerWaalsContact O-N 3.12Å; G144-A146 PolarHBondContact O-N 3.38Å
145P48.8Very low47.2Very low129 Ų129113.4 Ų113.484%0.83874%0.744SS**PPolyproline II helixtrans-53131.8-176.223.4-33.9000109.2G147P145-G147 PolarHBondContact O-N 3.45Å
146A56.1Low47.3Very low99 Ų99113 Ų11382%0.81874%0.74SS**PPolyproline II helixtrans-52.4132.7176.300000108.9G144G144-A146 PolarHBondContact O-N 3.38Å
147G56.9Low47.4Very low59 Ų59111.2 Ų111.261%0.60874%0.736SS**PPolyproline II helixtrans-54144.2175.600000110P145P145-G147 PolarHBondContact O-N 3.45Å
148P44.7Very low47.3Very low123 Ų123113.2 Ų113.280%0.79974%0.741SS**PPolyproline II helixtrans-55.8139.6178.525-34000109.6
149P50.5Low47.2Very low118 Ų118112.9 Ų112.977%0.76674%0.737SS**PPolyproline II helixtrans-53.6142.8176.2-26.434.7000111.7
150G46.8Very low46.8Very low64 Ų64113.5 Ų113.566%0.6674%0.741SS**PPolyproline II helixtrans-57.4138.2170.700000110.9D152G150-D152 PolarHBondContact O-N 3.07Å
151L38.7Very low46.7Very low177 Ų177110.5 Ų110.593%0.92774%0.738SS**  trans-88.788.1177.9-71.6173.5000109.9G153L151-G153 PolarHBondContact O-N 3.13Å; L151-G153 VanDerWaalsContact O-N 3.13Å
152D44.2Very low46.1Very low162 Ų162111.9 Ų111.987%0.86675%0.752SS**  trans-77.495.7-178.2-71.5-13000112.8G150G150-D152 PolarHBondContact O-N 3.07Å
153G52.5Low46.4Very low66 Ų66113.7 Ų113.768%0.6875%0.753SS**  86.7135.912800000121.5L151L151-G153 PolarHBondContact O-N 3.13Å; L151-G153 VanDerWaalsContact O-N 3.13Å
154C38.8Very low46.6Very low39 Ų39110.1 Ų110.126%0.26475%0.747SS.*  trans-125.1138.2139.2-79.70000107.2A916 G917C154-A916 WeakPolarHBondContact O-CA 3.32Å; C154-G917 PolarHBondContact O-N 3.41Å
155N53.1Low46.7Very low149 Ų149110.6 Ų110.680%0.79775%0.753SS**  cis79.3130.945.5-164.932.4000112
156G44.2Very low46.8Very low59 Ų59110.6 Ų110.661%0.60875%0.753SS**  cis-128.2-154.40.200000113.4
157T38.1Very low46.5Very low122 Ų122111.6 Ų111.675%0.74875%0.753SS**  cis-145.1160.524.357.20000114.1
158D45.1Very low46.5Very low158 Ų158111.6 Ų111.685%0.84575%0.753SS**  trans60.7132.4158.9-40.3-42.4000120.3
159G41.5Very low46.7Very low66 Ų66112 Ų11268%0.6876%0.756SS**  cis168.6147.1-8.800000113.2
160L35.9Very low46.5Very low177 Ų177114.4 Ų114.493%0.92776%0.759SS**  trans71.3154.5178.1-49.8170.7000117.7
161P43.2Very low46.9Very low123 Ų123113.7 Ų113.780%0.79975%0.751SS**  cis-111.8177.2-5038.1-27.1000111.8
162G42Very low47.2Very low83 Ų83111.1 Ų111.186%0.85675%0.745SS**PPolyproline II helixtrans-61.3134.6-162.800000117.8
163L48.3Very low47.4Very low165 Ų165108.7 Ų108.786%0.86474%0.738SS**PPolyproline II helixtrans-80.5146.5169.1-74.4163.6000111.6
164P52.3Low47.2Very low119 Ų119108.9 Ų108.977%0.77374%0.74SS**PPolyproline II helixtrans-58.8142.9168.2-21.933.6000111.5
165G58.7Low47.2Very low66 Ų66116.5 Ų116.568%0.6877%0.769SS**PPolyproline II helixtrans-58.6144.3178.900000112.2
166P50.4Low46.9Very low129 Ų129115.5 Ų115.584%0.83877%0.77SS**PPolyproline II helixtrans-59.9142.7179.426.3-34.4000110.3G168P166-G168 PolarHBondContact O-N 2.99Å
167S49.8Very low47Very low119 Ų119115.7 Ų115.783%0.83277%0.772SS**PPolyproline II helixtrans-56.8127.7165.5-66.80000108.2
168G58.3Low47.1Very low59 Ų59117.8 Ų117.861%0.60878%0.778SS**PPolyproline II helixtrans-54.8151.3179.800000111.1P166 M170P166-G168 PolarHBondContact O-N 2.99Å; G168-M170 PolarHBondContact O-N 3.04Å; G168-M170 VanDerWaalsContact O-N 3.13Å
169P47.6Very low47Very low131 Ų131116.3 Ų116.385%0.85178%0.777SS**PPolyproline II helixtrans-53125.9-17923.4-33.9000109G171P169-G171 PolarHBondContact O-N 3.39Å
170M47.3Very low47.2Very low170 Ų170115.5 Ų115.584%0.83777%0.769SS**  trans-55.2112.6174.4-179.717266.300107.1G168G168-M170 PolarHBondContact O-N 3.04Å; G168-M170 VanDerWaalsContact O-N 3.13Å
171G53.9Low47.1Very low48 Ų48116 Ų11650%0.49577%0.769SS.*  trans-53.2144.1-177.100000109.9P169 P173P169-G171 PolarHBondContact O-N 3.39Å; G171-P173 VanDerWaalsContact O-N 3.12Å
172P46.3Very low46.6Very low123 Ų123116.5 Ų116.580%0.79976%0.758SS**  trans-50.4125.4-17821.8-33.4000108.4G174P172-G174 PolarHBondContact O-N 2.7Å
173P48.9Very low46.7Very low112 Ų112115.8 Ų115.873%0.72775%0.751SS**  trans-49.6112.9-174.6-3135.9000109.8G171 F175G171-P173 VanDerWaalsContact O-N 3.12Å; P173-F175 PolarHBondContact O-N 2.64Å; P173-F175 VanDerWaalsContact O-N 3.16Å
174G47Very low46.4Very low69 Ų69117.5 Ų117.571%0.71176%0.755SS**  trans-55.1125.6-172.400000109.1P172 P176P172-G174 PolarHBondContact O-N 2.7Å; G174-P176 VanDerWaalsContact O-N 3.15Å
175F39.1Very low45.2Very low200 Ų200121.5 Ų121.588%0.87776%0.76SS**  trans-40.5123.1-176.8-77.7-84.7000109.9P173 G177P173-F175 PolarHBondContact O-N 2.64Å; P173-F175 VanDerWaalsContact O-N 3.16Å; F175-G177 PolarHBondContact O-N 3.44Å
176P47Very low44Very low127 Ų127121.9 Ų121.983%0.82577%0.765SS**  trans-51.7106.8177.1-2936.1000109.3G174 L178G174-P176 VanDerWaalsContact O-N 3.15Å; P176-L178 PolarHBondContact O-N 3.44Å
177G45.2Very low43.1Very low63 Ų63124.7 Ų124.765%0.64977%0.766SS**  trans-59129.5-166.300000110.3F175 P179F175-G177 PolarHBondContact O-N 3.44Å; G177-P179 WeakPolarHBondContact O-CD 3.32Å
178L40.4Very low42.7Very low166 Ų166124.3 Ų124.387%0.86976%0.761SS**  trans-42.8117.2177.5-73.7168.7000109.4P176 G180P176-L178 PolarHBondContact O-N 3.44Å; L178-G180 PolarHBondContact O-N 3.3Å
179P44.6Very low41.5Very low127 Ų127126.1 Ų126.183%0.82577%0.77SS**  trans-56.8104-178.3-29.136.8000110.4G177 M181G177-P179 WeakPolarHBondContact O-CD 3.32Å; P179-M181 PolarHBondContact O-N 3.08Å
180G45Very low40.7Very low49 Ų49127.9 Ų127.951%0.50577%0.772SS.*  trans-60.6132.8-163.600000112.4L178 K182L178-G180 PolarHBondContact O-N 3.3Å; G180-K182 PolarHBondContact O-N 3.44Å
181M32.8Very low40.1Very low188 Ų188123 Ų12393%0.92676%0.758SS**  trans-61.398.2174.8-66.2-178.673.700110.1P179P179-M181 PolarHBondContact O-N 3.08Å
182K34.4Very low39.3Very low133 Ų133130 Ų13058%0.57878%0.775SS**PPolyproline II helixtrans-71.1132.3170.9-165.4171.2-176.3-176.80109.4G180 L1080G180-K182 PolarHBondContact O-N 3.44Å; K182-L1080 HydrophobicContact CB-CD1 4.4Å; K182-L1080 HydrophobicContact CB-CD2 3.78Å; K182-L1080 HydrophobicContact CD-CD2 4.15Å; K182-L1080 HydrophobicContact CG-CD2 3.97Å
183G42.5Very low39Very low69 Ų69128.3 Ų128.371%0.71177%0.765SS**PPolyproline II helixtrans-59.6155.1-177.200000114.6
184Q42.2Very low38.6Very low200 Ų200124.3 Ų124.394%0.93574%0.743SS**PPolyproline II helixtrans-70.1148.8179.6-58.9169.3-7.700112.5
185K28.4Very low38Very low203 Ų203123.8 Ų123.888%0.88372%0.723SS**  178.4135119.5-174.9171.5-175.8179.50110.6
186G31.9Very low37.8Very low75 Ų75123 Ų12377%0.77372%0.719SS**  trans114.5110159.900000116.3
187E33.4Very low37.4Very low188 Ų188120 Ų12088%0.87971%0.712SS**  trans-73.7170.1148-79.6-176.8123.500110.9
188P40.6Very low37.1Very low111 Ų111126.9 Ų126.972%0.72173%0.727SS**  cis-136.3177.8-24.533-14.2000114.3
189A32.7Very low37.3Very low96 Ų96127.7 Ų127.779%0.79372%0.724SS**  trans56.9128.3144.200000122.3
190L31Very low36.9Very low169 Ų169125 Ų12589%0.88572%0.72SS**  trans-143.1135.3139.9-124.4161000109.1
191A34.9Very low36.4Very low67 Ų67128.8 Ų128.855%0.55473%0.728SS**  trans-36.4162.9-171.100000118.9
192F36.5Very low36.8Very low194 Ų194125.9 Ų125.985%0.85172%0.723SS**  cis-147.4158.238-80.6-93.8000116.5
193P39.7Very low37.1Very low89 Ų89122.6 Ų122.658%0.57873%0.727SS**  trans-81.6168.316437-35.8000111.9
194G41Very low37.1Very low27 Ų27125 Ų12528%0.27873%0.728SS.*  cis129.2170.84.800000113.5E452G194-E452 VanDerWaalsContact C-CD 3.48Å; G194-E452 PolarHBondContact N-OE2 3.09Å; G194-E452 VanDerWaalsContact O-CB 3.25Å; G194-E452 WeakPolarHBondContact O-CB 3.43Å; G194-E452 VanDerWaalsContact O-CD 3.26Å; G194-E452 WeakPolarHBondContact O-CG 3.29Å
195M34Very low36.8Very low59 Ų59123.8 Ų123.829%0.29173%0.728SS.*  trans112.5154.8168.6-64.9-174.580.600117.5G454 D455M195-G454 WeakPolarHBondContact CE-O 3.32Å; M195-G454 WeakPolarHBondContact SD-CA 3.17Å; M195-G454 PolarHBondContact SD-N 2.62Å; M195-D455 PolarHBondContact SD-N 3.02Å
196K35.1Very low37.6Very low182 Ų182116.9 Ų116.979%0.79171%0.714SS**  cis-167.8143-20.2160173169.9-171.60109.9
197G38.2Very low37.9Very low66 Ų66121.6 Ų121.668%0.6872%0.721SS**  trans92.2156.6167.400000114.1
198E40.6Very low38.5Very low206 Ų206118.6 Ų118.696%0.96372%0.718SS**  cis-118.7-155.44.4-65.6-161.8101.700113.4
199K43.8Very low38Very low183 Ų183116.7 Ų116.780%0.79672%0.718SS**  trans-123.5139.8-153174.4-167.7169.9-162.40112.2
200G35.5Very low37.8Very low72 Ų72120.4 Ų120.474%0.74272%0.724SS**  trans-145.390.1172.200000112.4
201D36.2Very low38.5Very low127 Ų127116.8 Ų116.868%0.67972%0.719SS**  trans26112159.4-53-25.8000121.7G203D201-G203 PolarHBondContact O-N 3.43Å
202P40.2Very low38.4Very low128 Ų128117.4 Ų117.483%0.83173%0.731SS**  trans-68.4105.1130.60.318.8000108.5T204P202-T204 PolarHBondContact O-N 3.32Å
203G41.5Very low38.6Very low63 Ų63113.6 Ų113.665%0.64973%0.729SS**  trans-79.3105.617800000112.6D201D201-G203 PolarHBondContact O-N 3.43Å
204T42Very low39.1Very low119 Ų119114.9 Ų114.973%0.7374%0.737SS**  trans42.7109.1158.853.70000117.8P202P202-T204 PolarHBondContact O-N 3.32Å
205D36.6Very low39.1Very low175 Ų175116.9 Ų116.994%0.93676%0.757SS**  -43.3117.592.5-63.9-11.4000114.2
206G45Very low39.8Very low58 Ų58123.8 Ų123.860%0.59879%0.786SS**  trans-171.993.4-176.600000115.9
207L38.1Very low39.8Very low175 Ų175122.9 Ų122.992%0.91679%0.79SS**  -168.8147.3107.8-94.8169.3000109.5
208P45.7Very low39.9Very low124 Ų124123.5 Ų123.581%0.80580%0.796SS**  trans-114.1165.4-165.240.9-32.8000115.7
209G30.1Very low40.1Very low71 Ų71121.7 Ų121.773%0.73279%0.792SS**  trans134.3136.916700000112.7
210L27.1Very low40.1Very low174 Ų174118.5 Ų118.591%0.91179%0.79SS**  cis-118153.1-2.6-97.272.5000111.1
211A47Very low40.3Very low94 Ų94118.4 Ų118.478%0.77779%0.79SS**  trans-91.5147.2149.500000109.5
212G32.9Very low40Very low79 Ų79121.5 Ų121.581%0.81480%0.8SS**  trans-101.619-173.800000116
213S40.7Very low39.9Very low115 Ų115126.3 Ų126.380%0.80480%0.801SS**  trans67.2172-178.5-45.30000114.8
214P50.2Low39.7Very low116 Ų116126.4 Ų126.475%0.75380%0.802SS**  cis-125131.8-8.126.7-6.1000115
215G40.5Very low39.3Very low68 Ų68128 Ų12870%0.70181%0.806SS**  trans76.8166.4164.700000116.2
216F48.3Very low39.6Very low204 Ų204131.8 Ų131.890%0.89581%0.808SS**  cis-132.41421.7-86.6-98.3000111.8
217D35.3Very low39.5Very low164 Ų164132.1 Ų132.188%0.87781%0.811SS**  trans-69.1148.3170.4-50.5-87.1000111.3
218G40.8Very low39.3Very low79 Ų79131.7 Ų131.781%0.81480%0.804SS**  trans177.323.7-174.700000119.6
219L45.2Very low39.8Very low167 Ų167130.4 Ų130.487%0.87480%0.796SS**  trans-99.7154.6159.1-79.5175000109.1
220P42.7Very low40.2Very low116 Ų116127.8 Ų127.875%0.75377%0.769SS**  cis-132.8132.4-2.934.5-15.6000115.2
221G39.9Very low41Very low71 Ų71122.6 Ų122.673%0.73275%0.746SS**  trans67.5154.3139.400000121.4
222Q30.7Very low41.5Very low192 Ų192124.1 Ų124.190%0.89775%0.745SS**  trans-157.8151.2137-119.1163.498.300110.4G224Q222-G224 PolarHBondContact O-N 3.17Å
223R37.3Very low41.9Very low228 Ų228121.1 Ų121.186%0.8671%0.714SS**  trans-70.6110.3156.4167.8-171-84.3-179.5-7.8105.9
224G38.7Very low41.9Very low65 Ų65121.6 Ų121.667%0.6772%0.715SS**  trans-104.2145.9167.300000110.2Q222Q222-G224 PolarHBondContact O-N 3.17Å
225D33.6Very low42.2Very low152 Ų152127.6 Ų127.681%0.81372%0.722SS**  trans-82.8-175.2-165.6-64.1-69.7000115
226R41.1Very low42.1Very low256 Ų256127.1 Ų127.197%0.96672%0.717SS**  trans-85120.2-171.5174-171174.6-177.3-1112.7
227G43.8Very low41.5Very low64 Ų64128.3 Ų128.366%0.6672%0.717SS**  trans126.2149.9165.800000112.8
228E34.6Very low42.1Very low167 Ų167126 Ų12678%0.7871%0.711SS**  cis-140.4174.2-0.2-68.4-158.1114.200110.9G1391 M1392E228-G1391 CarbonylContact C-O 3.24Å; E228-G1391 CarbonylContact O-C 3.42Å; E228-M1392 PolarHBondContact O-N 3.46Å
229P56.1Low42.3Very low96 Ų96125.7 Ų125.762%0.62371%0.709SS**  trans-119.6156-162.741.1-30000119G1391 M1392P229-G1391 CarbonylContact C-O 3.58Å; P229-G1391 WeakPolarHBondContact CA-O 3.36Å; P229-G1391 CarbonylContact O-C 3.59Å; P229-G1391 PolarHBondContact O-N 3.2Å; P229-M1392 CarbonylContact C-O 3.38Å
230G38.6Very low41.6Very low17 Ų17126.8 Ų126.818%0.17571%0.709CS.*BIsolated β-bridgetrans112.2169.9166.700000114.8G1391 M1392 E1393G230-G1391 CarbonylContact O-C 3.54Å; G230-G1391 WeakPolarHBondContact O-CA 3.38Å; G230-G1391 PolarHBondContact O-N 3.26Å; G230-M1392 PolarHBondContact N-O 3.34Å; G230-M1392 CarbonylContact O-C 3.25Å; G230-M1392 WeakPolarHBondContact O-CA 3.49Å; G230-M1392 PolarHBondContact O-N 2.96Å; G230-E1393 WeakPolarHBondContact O-CA 3.5Å; G230-E1393 PolarHBondContact O-N 2.65Å; G230-E1393 VanDerWaalsContact O-N 3.11Å
231P42.4Very low41.7Very low65 Ų65127.4 Ų127.442%0.42271%0.713SS.*  cis-88.6-142.1-7.639.2-35.2000110.9P1390 E1393 G1394P231-P1390 HydrophobicContact CB-CB 4.23Å; P231-E1393 HydrophobicContact CG-CG 4.42Å; P231-E1393 WeakPolarHBondContact O-CG 3.14Å; P231-G1394 PolarHBondContact O-N 2.91Å
232V57.9Low42Very low125 Ų125126.8 Ų126.876%0.75871%0.707SS**BIsolated β-bridgetrans-135.6134.4-177.5175.90000113.5G1394V232-G1394 WeakPolarHBondContact CA-O 3.48Å
233G42.6Very low42.4Very low16 Ų16123.5 Ų123.517%0.16570%0.702CS.*  trans-91157.9176.400000115.3G1394G233-G1394 PolarHBondContact N-O 3.39Å
234P39.7Very low42.6Very low126 Ų126118.8 Ų118.882%0.81870%0.701SS**  trans-88.2176.9-154.434.5-38.3000117.6
235R56.4Low42.6Very low241 Ų241118.9 Ų118.991%0.90970%0.702SS**  trans-122.2142.6-167.2173.8-172.9178.9-167.71.1113.3
236G39.2Very low42.5Very low58 Ų58119.4 Ų119.460%0.59871%0.705SS**  trans-178.615516300000110.5
237Y33.9Very low42.5Very low229 Ų229113.4 Ų113.490%0.89870%0.699SS**  cis-137163.8-11.3-89.2-86.7000109.3
238P48.2Very low42.2Very low116 Ų116113.5 Ų113.575%0.75370%0.7SS**PPolyproline II helixtrans-74144.1-175.2-15.231.1000114.1
239G44.9Very low42.2Very low73 Ų73112.3 Ų112.375%0.75370%0.698SS**PPolyproline II helixtrans-86167.2164.700000112.7
240E32Very low41.3Very low189 Ų189109.5 Ų109.588%0.88369%0.686SS**PPolyproline II helixtrans-64148-169.7-62.4-174.4113.500114.5G242E240-G242 PolarHBondContact O-N 2.91Å
241P44.2Very low41.7Very low129 Ų129112.8 Ų112.884%0.83871%0.706SS**PPolyproline II helixtrans-65.2119.4175-19.432.5000112.4
242G47Very low41.5Very low58 Ų58112.6 Ų112.660%0.59870%0.701SS**PPolyproline II helixtrans-63.2154.216600000111.9E240E240-G242 PolarHBondContact O-N 2.91Å
243P37.9Very low40.7Very low124 Ų124108.5 Ų108.581%0.80568%0.684SS**PPolyproline II helixtrans-59.1138-179.224.5-34000111.2G245P243-G245 PolarHBondContact O-N 3.26Å
244P40.8Very low41Very low128 Ų128112.3 Ų112.383%0.83171%0.706SS**PPolyproline II helixtrans-55.8120.2-176.6-28.235.7000113.2
245G39.8Very low40.9Very low67 Ų67115.1 Ų115.169%0.69171%0.705SS**PPolyproline II helixtrans-72.1134.4175.400000111.8P243 P247P243-G245 PolarHBondContact O-N 3.26Å; G245-P247 VanDerWaalsContact O-CD 3.26Å; G245-P247 WeakPolarHBondContact O-CD 3.44Å
246N31.8Very low40.1Very low163 Ų163106.8 Ų106.887%0.87270%0.695SS**PPolyproline II helixtrans-56.2118.1-178.1-71.1-24.7000112.6
247P39.7Very low40Very low130 Ų130112.7 Ų112.784%0.84471%0.707SS**PPolyproline II helixtrans-65.6141.3166.3-17.532.7000110.3G245G245-P247 VanDerWaalsContact O-CD 3.26Å; G245-P247 WeakPolarHBondContact O-CD 3.44Å
248G37.7Very low40.6Very low67 Ų67108.1 Ų108.169%0.69171%0.705SS**  trans-100.5-170.6-170.700000115.7
249I34.7Very low40.1Very low141 Ų141105.2 Ų105.272%0.72370%0.696SS**  trans69.986.1159.7-53.1166.7000114.6K1128I249-K1128 HydrophobicContact CG2-CD 4.15Å
250G38.9Very low39.8Very low37 Ų37109 Ų10938%0.38170%0.699SS.*  trans-68.5169.314800000111.3K1128G250-K1128 WeakPolarHBondContact O-CD 3.26Å; G250-K1128 WeakPolarHBondContact O-CE 3.46Å; G250-K1128 VanDerWaalsContact O-CG 3.25Å; G250-K1128 WeakPolarHBondContact O-CG 3.35Å; G250-K1128 PolarHBondContact O-NZ 3.2Å
251S45.7Very low40.5Very low86 Ų86106.1 Ų106.160%0.60170%0.697SS**  cis-153.4143.22.2-57.90000111.5K1128S251-K1128 PolarHBondContact O-N 2.81Å
252I39.3Very low40.3Very low61 Ų61102.8 Ų102.831%0.31369%0.686SS.*  trans-137.8163.1143.9-4579.8000105.2L1124 Q1125 G1126 L1127I252-L1124 HydrophobicContact CB-CD2 3.86Å; I252-L1124 HydrophobicContact CG2-CD2 4.33Å; I252-L1124 WeakPolarHBondContact O-CD2 3.23Å; I252-Q1125 HydrophobicContact CD1-CB 4.45Å; I252-Q1125 HydrophobicContact CD1-CG 3.51Å; I252-Q1125 HydrophobicContact CG1-CG 4.1Å; I252-G1126 VanDerWaalsContact CG1-C 3.46Å; I252-G1126 WeakPolarHBondContact CG1-O 3.33Å; I252-L1127 HydrophobicContact CD1-CD2 3.91Å; I252-L1127 HydrophobicContact CD1-CG 4.07Å
253G40Very low39.7Very low39 Ų39107.9 Ų107.940%0.40270%0.699SS.*  trans-130.6-173.7169.200000112.7L1124G253-L1124 PolarHBondContact O-N 3.34Å
254P50.1Low40.4Very low97 Ų97108 Ų10863%0.6370%0.699SS**  cis-123.1140-24.634.2-20.9000110.9
255K37.8Very low40.6Very low184 Ų184104.5 Ų104.580%0.869%0.686SS**  trans-122.7127.1159.6-166.6169-176.2176.20106.8
256G38.5Very low40.6Very low66 Ų66107.1 Ų107.168%0.6869%0.692SS**  trans-59.2155.7-154.200000115.2
257E36.5Very low41.7Very low182 Ų182105.3 Ų105.385%0.8569%0.689SS**  trans-46.6131.2153.1-63.8166.8147.100108.1G259E257-G259 VanDerWaalsContact C-N 3.27Å; E257-G259 PolarHBondContact O-N 2.93Å
258P46.8Very low41.7Very low133 Ų133102.4 Ų102.486%0.86468%0.682SS**  trans-59.5102.7155.9-13.428.6000105.1
259G38.7Very low42.2Very low55 Ų55105.1 Ų105.157%0.56769%0.688SS**  trans-56.7155-170.600000111.7E257E257-G259 VanDerWaalsContact C-N 3.27Å; E257-G259 PolarHBondContact O-N 2.93Å
260D37.2Very low42.8Very low153 Ų153103.9 Ų103.982%0.81869%0.689SS**  trans-41.7128.1174.8-71.4-55.5000110G262D260-G262 VanDerWaalsContact O-CA 3.29Å; D260-G262 WeakPolarHBondContact O-CA 3.49Å; D260-G262 PolarHBondContact O-N 2.93Å
261P47.7Very low42.7Very low129 Ų129106.3 Ų106.384%0.83871%0.714SS**  trans-53.4104.6170.8-25.734.8000107.9L263P261-L263 PolarHBondContact O-N 2.99Å
262G40.1Very low42.3Very low59 Ų59107.2 Ų107.261%0.60872%0.72SS**PPolyproline II helixtrans-54.9130-151.400000111.6D260 P264D260-G262 VanDerWaalsContact O-CA 3.29Å; D260-G262 WeakPolarHBondContact O-CA 3.49Å; D260-G262 PolarHBondContact O-N 2.93Å; G262-P264 VanDerWaalsContact O-CD 3.28Å; G262-P264 WeakPolarHBondContact O-CD 3.48Å
263L34.8Very low42.1Very low165 Ų165110.6 Ų110.686%0.86474%0.743SS**PPolyproline II helixtrans-46.1118.5169.3-74.7174.1000107.3P261 G265P261-L263 PolarHBondContact O-N 2.99Å; L263-G265 PolarHBondContact O-N 2.85Å
264P51.7Low42Very low125 Ų125115.3 Ų115.381%0.81276%0.759SS**PPolyproline II helixtrans-52.3118.5179.4-28.836.1000108.3G262G262-P264 VanDerWaalsContact O-CD 3.28Å; G262-P264 WeakPolarHBondContact O-CD 3.48Å
265G45.1Very low41.1Very low55 Ų55118.3 Ų118.357%0.56777%0.765SS**PPolyproline II helixtrans-53.7141.7-166.600000110.9L263 P267L263-G265 PolarHBondContact O-N 2.85Å; G265-P267 WeakPolarHBondContact O-CD 3.41Å; G265-P267 VanDerWaalsContact O-N 3.11Å
266P39.8Very low41.1Very low123 Ų123117.1 Ų117.180%0.79976%0.76SS**PPolyproline II helixtrans-52123-178.521.8-32.9000109.1G268P266-G268 PolarHBondContact O-N 2.83Å; P266-G268 VanDerWaalsContact O-N 3.13Å
267P54.9Low41Very low125 Ų125123.5 Ų123.581%0.81276%0.763SS**PPolyproline II helixtrans-54.5122-174.4-29.335.6000111.2G265 P269G265-P267 WeakPolarHBondContact O-CD 3.41Å; G265-P267 VanDerWaalsContact O-N 3.11Å; P267-P269 VanDerWaalsContact O-CD 3.27Å; P267-P269 WeakPolarHBondContact O-CD 3.2Å
268G39.5Very low41Very low68 Ų68120.2 Ų120.270%0.70175%0.752SS**PPolyproline II helixtrans-61.6116.5-175.300000111.7P266P266-G268 PolarHBondContact O-N 2.83Å; P266-G268 VanDerWaalsContact O-N 3.13Å
269P49.6Very low40.6Very low125 Ų125119.4 Ų119.481%0.81274%0.744SS**PPolyproline II helixtrans-67.7155.3172.729.6-33.5000110.7P267P267-P269 VanDerWaalsContact O-CD 3.27Å; P267-P269 WeakPolarHBondContact O-CD 3.2Å
270P45.9Very low40.3Very low115 Ų115126.3 Ų126.375%0.74776%0.759SS**  -113.9153.3-114.836.5-33000115.3S272P270-S272 PolarHBondContact O-N 2.9Å
271G36.4Very low40.3Very low88 Ų88122.8 Ų122.891%0.90776%0.759SS**  trans-79.8109.816300000110.7
272S38.7Very low39.9Very low105 Ų105121.3 Ų121.373%0.73476%0.758SS**  trans-87.8135.4-177.357.30000113.5P270P270-S272 PolarHBondContact O-N 2.9Å
273V34.3Very low40.1Very low132 Ų132123.1 Ų123.180%0.877%0.767SS**  trans-159.4142.5133.3-103.10000111.7
274N37.3Very low40.5Very low138 Ų138121.5 Ų121.574%0.73876%0.764SS**  trans64.285.1151.5-56.76.3000119.9
275E32.5Very low40.2Very low160 Ų160118.7 Ų118.775%0.74876%0.757SS**  44.3149.3110.3-61.8-167129.200124.3
276F37.7Very low40.4Very low158 Ų158121.9 Ų121.969%0.69377%0.768SS**  trans70.9105155.1-69.6-59.8000122.3
277R35.5Very low40.7Very low200 Ų200121.6 Ų121.676%0.75577%0.766SS**  57.6129.8118.9-88.1-173149146.12122.8
278D37.6Very low40Very low113 Ų113119.1 Ų119.160%0.60476%0.763SS**  trans72.6110130.7-58.4-26.2000122.4
279T36.9Very low39.8Very low116 Ų116124.8 Ų124.871%0.71277%0.771SS**  trans77.6118134.756.30000123.8
280K33.3Very low39.9Very low200 Ų200124.9 Ų124.987%0.8777%0.772SS**  65.3109.3128.3-63.6178.4177.91790121.8
281G37.7Very low39.8Very low80 Ų80122.7 Ų122.783%0.82577%0.771SS**  trans86.9168.4130.700000118.3
282A39.4Very low39.6Very low98 Ų98127.1 Ų127.181%0.8177%0.77SS**  cis-165.2166.4-11.600000111.9
283A43.4Very low39.7Very low96 Ų96132.3 Ų132.379%0.79378%0.779SS**  trans68.7152.7161.100000118.5
284V43.1Very low40.2Very low132 Ų132129 Ų12980%0.877%0.772SS**  cis-158.7139.3-18130.80000104.6
285G44.7Very low40.4Very low65 Ų65131.5 Ų131.567%0.6778%0.779SS**  81.8158.968.300000111.6
286P50.4Low40.6Very low122 Ų122133.8 Ų133.879%0.79279%0.786SS**  cis-134.9-134.816.830.2-2.7000113.8
287P45.9Very low40.5Very low117 Ų117129.5 Ų129.576%0.7679%0.787SS**  -113.7164.3-9637.8-21.9000114
288G40.8Very low41.2Very low74 Ų74129.1 Ų129.176%0.76379%0.794SS**  109161.654.700000109.1
289Q35.7Very low41.7Very low186 Ų186130 Ų13087%0.86981%0.806SS**  cis-157.4-172.9-5.3-71.9-170.1-4.300106.2
290P51.5Low41.5Very low127 Ų127128 Ų12883%0.82581%0.808SS**  cis-121.1-165.7-7.643.8-27.1000111.6
291G43.8Very low42Very low70 Ų70128 Ų12872%0.72281%0.811SS**  cis-168.8147.4100000112.7
292M32Very low42.2Very low180 Ų180129.5 Ų129.589%0.88782%0.816SS**  trans-71.6148.3-161.6-53.9164.87400117.4
293K39.8Very low42.1Very low214 Ų214128.5 Ų128.593%0.9382%0.815SS**  trans-162127.6130.1-172.1177.8-178.2-179.10109.7
294G44.6Very low41.8Very low62 Ų62131.4 Ų131.464%0.63981%0.813SS**  cis175.5135.4-7.900000109.5
295E41.8Very low41.6Very low191 Ų191136 Ų13689%0.89382%0.815SS**  trans-84.4142-167.4-60.1177.4126.600114.8
296K37.6Very low41.3Very low208 Ų208136.4 Ų136.490%0.90482%0.82SS**  trans-169.5140.3141.5-117.4178.6177.7-177.50109.3
297G35.4Very low41.1Very low68 Ų68140.3 Ų140.370%0.70183%0.825SS**  cis131.9102.2-1.800000111.3
298E49.3Very low41Very low192 Ų192141.1 Ų141.190%0.89783%0.83SS**  trans-70.3157.9159.3-60-172.1132.500109.3
299P47.9Very low40.9Very low133 Ų133140.9 Ų140.986%0.86483%0.827SS**  cis-131.7-170.212.342.8-26.9000114.1
300G33.7Very low41.4Very low74 Ų74139 Ų13976%0.76383%0.828SS**  trans156.3122158.900000114.6
301Q43.8Very low41.2Very low199 Ų199139 Ų13993%0.9383%0.829SS**  trans-115.8149.6169.7-87.5-166.5-6.700112.1
302A41Very low41Very low111 Ų111139.6 Ų139.692%0.91783%0.834SS**  trans72.6136.6160.600000119.8
303G37.7Very low41.4Very low78 Ų78142.4 Ų142.480%0.80484%0.835SS**  trans158.7124.6177.100000109.6
304E37.4Very low41.1Very low157 Ų157143.9 Ų143.973%0.73484%0.836SS**  trans-105.3161.5-164.4-57.7-169.4145.300116.6
305R38.9Very low40.9Very low227 Ų227144.4 Ų144.486%0.85784%0.841SS**  102.5123.7128.8-154.2174.4-66.4-163.50.3119
306G37.9Very low40.9Very low75 Ų75144.6 Ų144.677%0.77384%0.842SS**  trans157.494.1162.700000115.7
307F46Very low41.6Very low204 Ų204140.8 Ų140.890%0.89584%0.839SS**  trans-92.2149.5168.6-78.9-79.5000110.2
308P45.3Very low42Very low134 Ų134140.7 Ų140.787%0.8784%0.838SS**  -140.5172.567.237.7-19.6000114.9
309G37.7Very low42.2Very low68 Ų68137.6 Ų137.670%0.70183%0.834SS**  cis-165.5172.50.500000112
310V46.7Very low42.4Very low146 Ų146137.3 Ų137.389%0.88583%0.833SS**  trans-107.1-179.9-169.4-103.30000112.4
311P47.4Very low42.8Very low129 Ų129137.6 Ų137.684%0.83884%0.835SS**  cis-135.9169.9-1.530.6-8.6000117.7
312G38.7Very low42.7Very low81 Ų81137.3 Ų137.384%0.83584%0.836SS**  trans-177.9122.1156.700000111.3
313R40.4Very low42.5Very low239 Ų239141.7 Ų141.790%0.90284%0.835SS**  trans-115144.3-170-80.4-176.1169.1-172.1-2.3113.6
314Y35.2Very low42.8Very low246 Ų246141.5 Ų141.597%0.96583%0.832SS**  trans-163.1160.5131.6-103.7-69.7000110.9
315G39.8Very low42.9Very low72 Ų72143.3 Ų143.374%0.74284%0.841SS**  trans99.9116.3171.800000116.1
316Q42.3Very low42.8Very low195 Ų195142.5 Ų142.591%0.91184%0.844SS**  trans-112128.3170.2-81-176.1-29.400110.7
317P51.1Low43.1Very low128 Ų128142.4 Ų142.483%0.83184%0.843SS**PPolyproline II helixtrans-76.6150.9167.1-14.830.9000112.6
318G44.8Very low42.5Very low66 Ų66140.7 Ų140.768%0.6884%0.842SS**PPolyproline II helixtrans-77.1161.717200000113.7
319P51.9Low42.6Very low127 Ų127140.4 Ų140.483%0.82584%0.84SS**PPolyproline II helixtrans-73.9154.9-17529.9-35.4000113.7
320P52.1Low42.8Very low128 Ų128140.2 Ų140.283%0.83184%0.838SS**PPolyproline II helixtrans-72146.6-173.8-17.932.9000114.5
321G43.7Very low42.4Very low79 Ų79139.5 Ų139.581%0.81484%0.836SS**PPolyproline II helixtrans-72.1141.9177.800000113.9
322M40.5Very low42.1Very low193 Ų193140.3 Ų140.395%0.95184%0.839SS**PPolyproline II helixtrans-78.3147.3177.8-70-177.36800112.9
323K37.1Very low42.4Very low204 Ų204139 Ų13989%0.88783%0.825SS**PPolyproline II helixtrans-69.7121.9-177.7-178.7-178179.4-176.20111.3
324G43.5Very low42.3Very low73 Ų73134 Ų13475%0.75382%0.823SS**PPolyproline II helixtrans-75137.3178.200000113.6
325E39.8Very low42.5Very low195 Ų195133.7 Ų133.791%0.91182%0.821SS**PPolyproline II helixtrans-87.3158.3168.7-63.7-165.5119.800111.7G327E325-G327 PolarHBondContact O-N 3.48Å
326K37.4Very low42.9Very low211 Ų211133.3 Ų133.392%0.91782%0.816SS**PPolyproline II helixtrans-78.1119.8-176.3-70.4-178.4177179.70111.3
327G44Very low42.7Very low73 Ų73132.9 Ų132.975%0.75381%0.811SS**PPolyproline II helixtrans-66141.6169.300000112.7E325E325-G327 PolarHBondContact O-N 3.48Å
328L33.9Very low41.8Very low168 Ų168135.9 Ų135.988%0.8881%0.814SS**PPolyproline II helixtrans-72.3143.4170.9-73.5162000110.7G330L328-G330 PolarHBondContact O-N 2.73Å
329P45.7Very low41.7Very low127 Ų127136.2 Ų136.283%0.82582%0.818SS**PPolyproline II helixtrans-62.6121.9175-22.734000112.2
330G42.5Very low40.9Very low64 Ų64142.1 Ų142.166%0.6682%0.824SS**PPolyproline II helixtrans-72.3149.8170.200000112L328L328-G330 PolarHBondContact O-N 2.73Å
331P38.9Very low40.1Very low131 Ų131140.7 Ų140.785%0.85182%0.822SS**PPolyproline II helixtrans-68.1143.1-18028.8-34.9000111.9G333P331-G333 PolarHBondContact O-N 2.98Å
332V41.2Very low40.1Very low147 Ų147140.2 Ų140.289%0.89182%0.817SS**PPolyproline II helixtrans-61.7117.2179.3177.40000110.7
333G44.6Very low40Very low53 Ų53139.7 Ų139.755%0.54682%0.815SS.*PPolyproline II helixtrans-69149.9171.400000111.9P331 R335P331-G333 PolarHBondContact O-N 2.98Å; G333-R335 PolarHBondContact O-N 3.17Å
334P39Very low40.3Very low133 Ų133136.1 Ų136.186%0.86481%0.812SS**PPolyproline II helixtrans-62.8130.6-179.826.4-34000111G336P334-G336 PolarHBondContact O-N 3.3Å
335R39.4Very low40.3Very low241 Ų241135.6 Ų135.691%0.90981%0.807SS**  trans-52.1111.9179.5-179.4176179.1166.4-0.7110.7G333G333-R335 PolarHBondContact O-N 3.17Å
336G47.3Very low40.2Very low63 Ų63132.6 Ų132.665%0.64980%0.804SS**PPolyproline II helixtrans-59.2143.2175.400000111.4P334P334-G336 PolarHBondContact O-N 3.3Å
337K37.7Very low40.4Very low187 Ų187130 Ų13081%0.81380%0.799SS**PPolyproline II helixtrans-64.3148159.9-69.4-175.2176.7-177.10108.3G339K337-G339 PolarHBondContact O-N 3.22Å
338E33.6Very low40.1Very low190 Ų190129.8 Ų129.889%0.88880%0.797SS**PPolyproline II helixtrans-56.4126.3-164.8-68.1170.7158.200112.3R340E338-R340 PolarHBondContact O-N 3.05Å
339G42.4Very low40.1Very low73 Ų73131.9 Ų131.975%0.75380%0.8SS**PPolyproline II helixtrans-68.7129.4-17800000110.9K337 A341K337-G339 PolarHBondContact O-N 3.22Å; G339-A341 PolarHBondContact O-N 2.99Å
340R35Very low39.5Very low252 Ų252135.7 Ų135.795%0.95180%0.803SS**PPolyproline II helixtrans-53.1122.4164.6-163.8179.1-164.5168.14.6107.7E338 G342E338-R340 PolarHBondContact O-N 3.05Å; R340-G342 PolarHBondContact O-N 2.95Å
341A35.7Very low39.2Very low97 Ų97135.8 Ų135.880%0.80280%0.804SS**PPolyproline II helixtrans-53.1128.6-171.300000111.5G339G339-A341 PolarHBondContact O-N 2.99Å
342G42.3Very low38.7Very low69 Ų69137.3 Ų137.371%0.71181%0.805SS**PPolyproline II helixtrans-65.7143.8-175.500000112.2R340R340-G342 PolarHBondContact O-N 2.95Å
343M38.9Very low38.4Very low183 Ų183141.1 Ų141.190%0.90180%0.803SS**PPolyproline II helixtrans-62.6133.7168.5-68.6173.963.100109.2G345M343-G345 PolarHBondContact O-N 3.17Å
344P43.7Very low38Very low128 Ų128142.5 Ų142.583%0.83182%0.818SS**PPolyproline II helixtrans-55133.8172.1-26.335.4000111.2
345G42.4Very low38.3Very low62 Ų62141 Ų14164%0.63981%0.806SS**PPolyproline II helixtrans-67.6159-178.500000113M343M343-G345 PolarHBondContact O-N 3.17Å
346P37.9Very low38.1Very low132 Ų132136.7 Ų136.786%0.85780%0.801SS**PPolyproline II helixtrans-65.1138.4178.828.2-34.7000111.3G348P346-G348 PolarHBondContact O-N 3.14Å
347I41.8Very low37.6Very low156 Ų156137.3 Ų137.380%0.881%0.808SS**PPolyproline II helixtrans-67.3119.5170-67.8175.1000108
348G38.2Very low37.6Very low70 Ų70138.4 Ų138.472%0.72281%0.808SS**PPolyproline II helixtrans-76.1129.9-174.400000113.1P346 K350P346-G348 PolarHBondContact O-N 3.14Å; G348-K350 PolarHBondContact O-N 2.03Å
349F33.2Very low38Very low212 Ų212135.4 Ų135.493%0.9381%0.805SS**  trans-74113.1160.6-81.8-89.7000109.1G351F349-G351 PolarHBondContact O-N 3.28Å
350K34.5Very low37.7Very low207 Ų207135.1 Ų135.190%0.980%0.803SS**PPolyproline II helixtrans-68.7120.5169.3-177-177.4177.1-173.60108.2G348G348-K350 PolarHBondContact O-N 2.03Å
351G35.7Very low37.7Very low65 Ų65131.3 Ų131.367%0.6780%0.8SS**PPolyproline II helixtrans-89.1154.3-17400000114.6F349F349-G351 PolarHBondContact O-N 3.28Å
352D28.4Very low37.6Very low164 Ų164134.3 Ų134.388%0.87780%0.803SS**PPolyproline II helixtrans-94.5150.9149.4-67.7-55.9000107.2
353R35.6Very low37.3Very low226 Ų226134.8 Ų134.885%0.85381%0.807SS**  cis-153.6135.745.6-161.6-179.8-156.2163.74.9112.1V355R353-V355 HydrophobicContact CG-CG2 4.12Å
354G34.9Very low37.3Very low83 Ų83130.9 Ų130.986%0.85680%0.804SS**  trans-130.686165.900000109.6
355V45.2Very low37.4Very low102 Ų102131.1 Ų131.162%0.61881%0.806SS**  trans-124.9127.7171.7-1800000107R353R353-V355 HydrophobicContact CG-CG2 4.12Å
356D35.4Very low37.2Very low149 Ų149131.5 Ų131.580%0.79781%0.809SS**  trans178.9140.8135.8-88.6-24.3000109.3
357G37.3Very low37.3Very low77 Ų77130.3 Ų130.379%0.79481%0.811SS**  trans165.240.2-173.100000117.2
358Y37.2Very low37.2Very low209 Ų209131.5 Ų131.582%0.8281%0.81SS**  trans-61.5179.8167-68.9-87.2000112.6
359P42.8Very low37.3Very low127 Ų127130.4 Ų130.483%0.82580%0.798SS**  cis-132.3-173.1-5.722.52.5000114.1
360G35.9Very low37.5Very low68 Ų68124.8 Ų124.870%0.70178%0.778SS**  143.482.3127.800000119.5
361L34.7Very low37.8Very low171 Ų171125.8 Ų125.890%0.89578%0.776SS**  trans-159.5121.1130.7-113.1171.5000111.3
362N33.6Very low38.3Very low161 Ų161126 Ų12686%0.86178%0.778SS**  trans-87.9153.7162.8-57.7-27000107.6
363G36.5Very low38.4Very low78 Ų78126.4 Ų126.480%0.80478%0.779SS**  cis153.5147.8-0.500000109.4
364A39.3Very low38.6Very low101 Ų101120 Ų12084%0.83577%0.773SS**  trans-142.1145173.700000111.1
365P45.7Very low38.8Very low134 Ų134119.6 Ų119.687%0.8777%0.77SS**  trans-130.3175.6-15134.9-14.3000115.7
366G37.1Very low38.5Very low69 Ų69124.6 Ų124.671%0.71178%0.778SS**  trans107.698.8167.100000113.1
367A40.6Very low38.7Very low107 Ų107122.5 Ų122.588%0.88477%0.766SS**  84.2133.966.900000112.7
368K38.8Very low38.7Very low182 Ų182122 Ų12279%0.79176%0.761SS**  cis-153160-5.7179.5169.9172.9-177.60110.4K1465K368-K1465 PolarHBondContact O-NZ 3.37Å
369G40Very low38.5Very low46 Ų46121.9 Ų121.947%0.47477%0.768SS.*  trans-60.6160.5-175.100000116.4
370D37.9Very low38.3Very low95 Ų95123.2 Ų123.251%0.50876%0.761SS.*  -120.9124.8115.6-81.4-42000104.3K1465D370-K1465 HydrophobicContact CB-CD 4.4Å; D370-K1465 HydrophobicContact CB-CG 4.24Å; D370-K1465 WeakPolarHBondContact OD2-CB 3.35Å; D370-K1465 VanDerWaalsContact OD2-CG 3.32Å; D370-K1465 WeakPolarHBondContact OD2-CG 3.3Å
371R42Very low38.2Very low228 Ų228122.7 Ų122.786%0.8676%0.756SS**  cis77.5112.727.8-156.1-171.8-166.2-164.42.7111.2
372G46.5Very low38.1Very low68 Ų68125.3 Ų125.370%0.70176%0.76SS**  cis137.2101.6-4.300000111.1
373I30.5Very low38.3Very low174 Ų174125.6 Ų125.689%0.89276%0.756SS**  trans-143.3129.6-177.9-60-179.6000106.6
374A39.4Very low38.4Very low90 Ų90124.4 Ų124.474%0.74474%0.744SS**  cis-149.6152.5-16.800000109.4
375G38.9Very low38.4Very low76 Ų76125.6 Ų125.678%0.78474%0.743SS**  trans-97.3128.1162.300000110.1
376R38.4Very low38.6Very low206 Ų206125.4 Ų125.478%0.77774%0.742SS**  trans-157.5145.2158.8-67.9-155.387.8143.87.3108
377D40Very low38.6Very low105 Ų105125.2 Ų125.256%0.56174%0.74SS**  cis-139.3155.7-15.8-97.7-13.9000107.1
378G36.4Very low39.3Very low66 Ų66126.4 Ų126.468%0.6874%0.739SS**  trans-76.8177.3170.500000112.3K380G378-K380 PolarHBondContact O-N 2.97Å
379E34.1Very low39.4Very low208 Ų208124 Ų12497%0.97274%0.742SS**  trans-61.997.9170.2-68.5-168.2126.100110.1G381E379-G381 PolarHBondContact O-N 2.84Å
380K37.6Very low39.1Very low155 Ų155125.5 Ų125.567%0.67476%0.757SS**  trans-78.1110.9-172.9-166.9-179-179.7-168.50109.1G378G378-K380 PolarHBondContact O-N 2.97Å
381G35.3Very low38.8Very low57 Ų57125.3 Ų125.359%0.58878%0.777SS**  trans-57.2159.7-176.500000114.3E379 Q383E379-G381 PolarHBondContact O-N 2.84Å; G381-Q383 PolarHBondContact O-N 3.41Å
382F31.3Very low38.5Very low226 Ų226118.3 Ų118.399%0.99178%0.776SS**  trans-59.889-178.2-65.6-83000112.7
383Q37.7Very low37.8Very low166 Ų166123.3 Ų123.378%0.77679%0.786SS**PPolyproline II helixtrans-72.6128.7173.2-168.2166.57.800109.5G381G381-Q383 PolarHBondContact O-N 3.41Å
384G38.9Very low38.1Very low53 Ų53123.1 Ų123.155%0.54679%0.785SS.*PPolyproline II helixtrans-66.4169.3-173.800000114.9
385P38.7Very low37.9Very low127 Ų127122 Ų12283%0.82578%0.783SS**PPolyproline II helixtrans-62.7130.7-175.626.2-34.7000111.9
386P51.8Low37.7Very low130 Ų130126.8 Ų126.884%0.84479%0.79SS**PPolyproline II helixtrans-63.3135.9171.4-22.534.2000112.2
387G36.1Very low37.7Very low65 Ų65119.7 Ų119.767%0.6778%0.782SS**PPolyproline II helixtrans-87.9149172.400000112.6
388P56Low37.9Very low132 Ų132120.7 Ų120.786%0.85779%0.794SS**PPolyproline II helixtrans-83.5129.2-179.132.8-34000112.5
389P41.1Very low38.3Very low131 Ų131123.8 Ų123.885%0.85180%0.802SS**  -147.4166.6113.637.6-22.7000113.4
390G32.7Very low38.6Very low78 Ų78117.3 Ų117.380%0.80479%0.791SS**  cis161.8132.9-8.900000113
391G32.4Very low38.7Very low90 Ų90119.3 Ų119.393%0.92880%0.802SS**  trans95.8125.316600000117.3
392G34.5Very low38.9Very low81 Ų81127.9 Ų127.984%0.83582%0.817SS**  trans152.886.4172.700000114.8
393L32.8Very low39.6Very low174 Ų174119.5 Ų119.591%0.91180%0.795SS**  trans-59.9153.4170.4-56.4158.7000109.9
394I36Very low39.9Very low169 Ų169117.5 Ų117.587%0.86780%0.796SS**  cis-134.5153.324.6-62.7164.3000108.6
395G35.4Very low40Very low68 Ų68120.8 Ų120.870%0.70181%0.808SS**  trans-104.4165.5-170.800000116.5
396D34.7Very low40.2Very low175 Ų175118.1 Ų118.194%0.93680%0.804SS**  trans-143163.4151.6-110.3-40.6000108.6
397G38.9Very low39.7Very low58 Ų58123.6 Ų123.660%0.59881%0.808SS**PPolyproline II helixtrans-68.4159.7-162.500000117.2
398P43.7Very low40Very low126 Ų126126.5 Ų126.582%0.81882%0.815SS**PPolyproline II helixtrans-66.5134.3178.927.9-34.5000111.8G400P398-G400 PolarHBondContact O-N 3.32Å
399P44.1Very low39.6Very low130 Ų130123.3 Ų123.384%0.84481%0.806SS**PPolyproline II helixtrans-60.4134.1171.6-23.434.2000111.7
400G41.1Very low39.6Very low72 Ų72123.5 Ų123.574%0.74281%0.807SS**PPolyproline II helixtrans-62.7156.3177.900000113.3P398 R402P398-G400 PolarHBondContact O-N 3.32Å; G400-R402 PolarHBondContact O-N 3.24Å
401E38.7Very low40.1Very low197 Ų197128 Ų12892%0.92181%0.809SS**PPolyproline II helixtrans-57132.2-176.8-63.1-169.7142.200112.2G403E401-G403 PolarHBondContact O-N 3.48Å
402R40.3Very low40.9Very low237 Ų237126 Ų12689%0.89479%0.788SS**  trans-68.6103.1175.5177.1-179.7-74.5-173.3-4109G400G400-R402 PolarHBondContact O-N 3.24Å
403G46.8Very low41.2Very low51 Ų51125.7 Ų125.753%0.52677%0.771SS.*PPolyproline II helixtrans-51.9144.1173.800000112.3E401E401-G403 PolarHBondContact O-N 3.48Å
404P42.2Very low42Very low123 Ų123121.7 Ų121.780%0.79976%0.756SS**PPolyproline II helixtrans-62.5135.8-17625.3-34.1000110.9G406P404-G406 PolarHBondContact O-N 3.27Å
405P41.9Very low42.4Very low122 Ų122117.2 Ų117.279%0.79275%0.751SS**PPolyproline II helixtrans-55131.7178.9-27.535.4000112.5
406G42.7Very low42.6Very low72 Ų72117.8 Ų117.874%0.74275%0.749SS**PPolyproline II helixtrans-59.2136.6-179.400000112.1P404 P408P404-G406 PolarHBondContact O-N 3.27Å; G406-P408 WeakPolarHBondContact O-CD 2.92Å
407R41.3Very low43.1Very low245 Ų245117.6 Ų117.693%0.92575%0.748SS**PPolyproline II helixtrans-63.6127.7175.5-68.2-174178.4-159.51.2109.8
408P42.9Very low43.5Very low126 Ų126118.4 Ų118.482%0.81876%0.756SS**PPolyproline II helixtrans-56.8140.4168.8-25.135.3000111.3G406G406-P408 WeakPolarHBondContact O-CD 2.92Å
409G47.4Very low43.6Very low65 Ų65120.3 Ų120.367%0.6776%0.758SS**PPolyproline II helixtrans-69155.4-178.100000113.4
410P41.6Very low43.6Very low135 Ų135119.9 Ų119.988%0.87776%0.755SS**PPolyproline II helixtrans-70.3132.2178.429.4-34.2000111.6G412P410-G412 PolarHBondContact O-N 3.48Å
411M43Very low43.9Very low173 Ų173119.5 Ų119.585%0.85275%0.751SS**PPolyproline II helixtrans-76.2117.7176.9-174.6168.864.600111K1263M411-K1263 PolarHBondContact O-NZ 3.04Å; M411-K1263 VanDerWaalsContact O-NZ 3.11Å
412G49.2Very low44Very low46 Ų46116.1 Ų116.147%0.47475%0.746SS.*PPolyproline II helixtrans-62.2172.6-174.800000115.3P410 P414 K1263P410-G412 PolarHBondContact O-N 3.48Å; G412-P414 WeakPolarHBondContact O-CD 3.27Å; G412-K1263 VanDerWaalsContact C-NZ 3.28Å; G412-K1263 PolarHBondContact O-NZ 2.91Å
413P40.7Very low44.4Very low75 Ų75111.1 Ų111.149%0.48774%0.744SS.*PPolyproline II helixtrans-83.8116.9-177.631-33.1000114.3G415P413-G415 PolarHBondContact O-N 3.33Å
414P49.1Very low44.1Very low90 Ų90112.1 Ų112.158%0.58476%0.755SS**  trans-43.9129.9139.1-32.333.5000111.5G412G412-P414 WeakPolarHBondContact O-CD 3.27Å
415G45.2Very low44.4Very low75 Ų75115.8 Ų115.877%0.77376%0.761SS**  trans-86.3-179.7-17500000114.2P413P413-G415 PolarHBondContact O-N 3.33Å
416A39.5Very low44.2Very low80 Ų80116.1 Ų116.166%0.66176%0.764SS**  trans-115.9125.2175.700000110.5
417D44.6Very low43.9Very low172 Ų172115.9 Ų115.992%0.9276%0.761SS**PPolyproline II helixtrans-80.2147.9167.1-74-52.4000110.9
418G48.2Very low44.6Very low74 Ų74110.4 Ų110.476%0.76376%0.758SS**PPolyproline II helixtrans-83.6158.5-155.400000117.4
419I44.3Very low44.2Very low167 Ų167114 Ų11486%0.85676%0.764SS**PPolyproline II helixtrans-80.9134.2166.5-59.5176.1000108.9
420P45.7Very low43.7Very low121 Ų121114 Ų11479%0.78676%0.763SS**PPolyproline II helixtrans-58.3148.5178.3-27.136000114.7
421G47.3Very low44.4Very low63 Ų63113.4 Ų113.465%0.64976%0.759SS**PPolyproline II helixtrans-72.2159.7-177.300000114.9
422P40.5Very low44.4Very low126 Ų126115.8 Ų115.882%0.81876%0.759SS**PPolyproline II helixtrans-77.4132.5-173.930.6-34.9000113.2
423P48Very low43.9Very low132 Ų132116.2 Ų116.286%0.85776%0.763SS**PPolyproline II helixtrans-62.9139.4163.1-21.634.4000111.6
424G41.5Very low44Very low73 Ų73115.2 Ų115.275%0.75377%0.767SS**PPolyproline II helixtrans-83.1162.6-170.900000116
425Q47.8Very low43.7Very low199 Ų199120 Ų12093%0.9378%0.781SS**PPolyproline II helixtrans-88133.7176.3-66.7-177.8-5.700113
426P37.8Very low43.4Very low129 Ų129119.5 Ų119.584%0.83878%0.776SS**  trans-135.2153130.936.3-25.2000111
427G35.9Very low43.8Very low67 Ų67123.9 Ų123.969%0.69179%0.787SS**  cis-165.4170.6-6.300000109.1
428P56.3Low43.7Very low131 Ų131122 Ų12285%0.85179%0.785SS**  trans-92.4175.6-166.336.5-37.4000115.9
429Q35.7Very low43.2Very low202 Ų202121.6 Ų121.694%0.94478%0.78SS**  trans94.8139.1168.7-156.6167.440.100115.8
430G36.8Very low43.3Very low64 Ų64122.5 Ų122.566%0.6679%0.786SS**  cis-156179.52.600000115.1
431P54.8Low43Very low123 Ų123122.8 Ų122.880%0.79979%0.788SS**  trans-110.2163.6-165.739.8-33.5000116.5
432R43.2Very low42.7Very low223 Ų223123.7 Ų123.784%0.84280%0.797SS**  trans92.2136.9155-163.9175.5-176.7167.52.1118.3L987R432-L987 WeakPolarHBondContact O-CD2 3Å
433G39.5Very low42.7Very low55 Ų55128.2 Ų128.257%0.56780%0.798SS**  trans-174.455175.900000114.6
434G42.8Very low42Very low54 Ų54129.6 Ų129.656%0.55779%0.793SS**  trans-103153.8155.700000108
435Q42.7Very low41.8Very low190 Ų190129.4 Ų129.489%0.88879%0.79SS**  cis-149.8-176.636.2-105.1173.6-9.700110
436G39.2Very low41.9Very low65 Ų65128.2 Ų128.267%0.6779%0.79SS**  cis174.1-1473.500000113.9
437L47.5Very low41.9Very low172 Ų172128.2 Ų128.290%0.90179%0.79SS**  trans-74.2151.4-170.1-60.7136.4000113.3
438P41.4Very low42Very low133 Ų133128.6 Ų128.686%0.86479%0.793SS**  -140.9163.1101.438-25.6000113.8
439G38.5Very low41.4Very low64 Ų64132 Ų13266%0.6680%0.798SS**  cis-169.2170.70.200000112.6P441G439-P441 WeakPolarHBondContact O-CD 3.26Å
440L45.9Very low41.3Very low187 Ų187132.4 Ų132.498%0.97980%0.796SS**  trans-92.1121.4-174.4-73.5157.7000112.7
441P40.3Very low41.8Very low127 Ų127132.3 Ų132.383%0.82580%0.795SS**  trans-132.2140.4140.835-23.3000111.5G439G439-P441 WeakPolarHBondContact O-CD 3.26Å
442G39.9Very low41.2Very low82 Ų82132.8 Ų132.885%0.84579%0.787SS**  cis-142.8-1770.400000112.2
443R40.7Very low41Very low220 Ų220131.1 Ų131.183%0.8379%0.785SS**  trans-118.1150-172.5171.4177.5160.6175.1-3.6110.5
444E34.1Very low41.6Very low162 Ų162130.4 Ų130.476%0.75778%0.779SS**  trans69.6153.9179.5-77150.7-143.200115
445G37.9Very low42Very low68 Ų68133.3 Ų133.370%0.70178%0.781SS**  cis-123.8162.59.200000116.1
446L48.5Very low42.1Very low175 Ų175129.6 Ų129.692%0.91678%0.783SS**  trans-71.1139.2171.4-68.9161000110.7
447P37.9Very low42.2Very low129 Ų129129.4 Ų129.484%0.83878%0.781SS**  -145132.9122.833.2-17.3000114.9
448G37.9Very low42.1Very low74 Ų74128.8 Ų128.876%0.76378%0.777SS**  trans106.597.1155.800000117.4K450G448-K450 PolarHBondContact O-N 3.26Å; G448-K450 VanDerWaalsContact O-N 3.17Å
449Q44.3Very low42.2Very low202 Ų202126 Ų12694%0.94476%0.758SS**  trans-71.497.7154.1-71.9-178.3-000109.2
450K33.9Very low42.5Very low212 Ų212124.7 Ų124.792%0.92275%0.746SS**  trans-164134.6166.6-140170-174.9173.90114.5G448G448-K450 PolarHBondContact O-N 3.26Å; G448-K450 VanDerWaalsContact O-N 3.17Å
451G47.8Very low42.3Very low61 Ų61123.8 Ų123.863%0.62974%0.738SS**  trans10155.514700000118K453G451-K453 PolarHBondContact O-N 3.36Å
452E40.8Very low42.4Very low134 Ų134122.1 Ų122.163%0.62673%0.727SS**  trans-49.9121.4141.2-90.2-179.2153.700108.7G194G194-E452 VanDerWaalsContact C-CD 3.48Å; G194-E452 PolarHBondContact N-OE2 3.09Å; G194-E452 VanDerWaalsContact O-CB 3.25Å; G194-E452 WeakPolarHBondContact O-CB 3.43Å; G194-E452 VanDerWaalsContact O-CD 3.26Å; G194-E452 WeakPolarHBondContact O-CG 3.29Å
453K39.5Very low42.4Very low187 Ų187121.5 Ų121.581%0.81372%0.721SS**  trans-156.6137.9-168.1-175.6-172.3173.7-170.80113G451G451-K453 PolarHBondContact O-N 3.36Å
454G51.9Low42.1Very low41 Ų41120 Ų12042%0.42372%0.724SS.*  cis-144.1131.4-21.900000109.6M195 A456M195-G454 WeakPolarHBondContact CE-O 3.32Å; M195-G454 WeakPolarHBondContact SD-CA 3.17Å; M195-G454 PolarHBondContact SD-N 2.62Å; G454-A456 PolarHBondContact O-N 3.36Å
455D51.7Low42.3Very low114 Ų114124.1 Ų124.161%0.6173%0.732SS**  trans-62.2122.6168.7-70-43.9000106.7M195 G457M195-D455 PolarHBondContact SD-N 3.02Å; D455-G457 VanDerWaalsContact C-N 3.26Å; D455-G457 PolarHBondContact O-N 2.84Å
456A44.7Very low42.4Very low113 Ų113123.8 Ų123.893%0.93473%0.729SS**SBendtrans-82.264.2-149.800000114.3G454G454-A456 PolarHBondContact O-N 3.36Å
457G41.4Very low41.9Very low60 Ų60121.1 Ų121.162%0.61973%0.725SS**  trans101.6105.7165.800000114.3D455 P459D455-G457 VanDerWaalsContact C-N 3.26Å; D455-G457 PolarHBondContact O-N 2.84Å; G457-P459 WeakPolarHBondContact O-CD 3.45Å
458I46.2Very low41.9Very low160 Ų160119.2 Ų119.282%0.82172%0.72SS**  trans-80.8118.9156.2-60.1172.5000107.1G460I458-G460 PolarHBondContact O-N 3.35Å
459P43.3Very low41.9Very low73 Ų73118.9 Ų118.947%0.47472%0.717SS.*  trans-68.2102.8172.6-19.334.7000109.5G457 M1041 K1042G457-P459 WeakPolarHBondContact O-CD 3.45Å; P459-M1041 WeakPolarHBondContact CB-O 3.27Å; P459-K1042 VanDerWaalsContact C-N 3.26Å; P459-K1042 CarbonylContact O-C 3.6Å; P459-K1042 WeakPolarHBondContact O-CA 3.39Å; P459-K1042 PolarHBondContact O-N 3.03Å; P459-K1042 VanDerWaalsContact O-N 3.1Å
460G43.6Very low41.7Very low38 Ų38119.3 Ų119.339%0.39272%0.716SS.*BIsolated β-bridgetrans-62.4143.9-158.700000116.4I458 K1042I458-G460 PolarHBondContact O-N 3.35Å; G460-K1042 WeakPolarHBondContact O-CA 3.32Å; G460-K1042 PolarHBondContact O-N 2.87Å
461M41.2Very low41.9Very low168 Ų168115 Ų11583%0.82871%0.709SS**PPolyproline II helixtrans-49.5143175-68.6169.264.400112G463M461-G463 PolarHBondContact O-N 2.97Å
462P43Very low41.3Very low91 Ų91115.6 Ų115.659%0.59172%0.716SS**PPolyproline II helixtrans-54.4123.3165.7-22.334.2000109K1042P462-K1042 HydrophobicContact CG-CB 4.35Å; P462-K1042 HydrophobicContact CG-CD 3.88Å; P462-K1042 HydrophobicContact CG-CG 3.82Å
463G39.5Very low41.7Very low70 Ų70118.3 Ų118.372%0.72273%0.729SS**PPolyproline II helixtrans-62.2139.4-163.800000113.5M461 R465M461-G463 PolarHBondContact O-N 2.97Å; G463-R465 PolarHBondContact O-N 2.88Å
464E35.8Very low41.8Very low189 Ų189115.5 Ų115.588%0.88373%0.729SS**PPolyproline II helixtrans-55.1137.7147.2-68.4-166.1128.700108.2G466E464-G466 VanDerWaalsContact C-N 3.31Å; E464-G466 PolarHBondContact O-N 2.79Å
465R37.4Very low41Very low247 Ų247116.9 Ų116.993%0.93274%0.744SS**  trans-65.598.3166.1175.2-175-69.3169.8-2.7106.8G463 S467G463-R465 PolarHBondContact O-N 2.88Å; R465-S467 PolarHBondContact O-N 2.86Å
466G40.7Very low41Very low61 Ų61117.6 Ų117.663%0.62976%0.755SS**  trans-54.3125.5177.800000110.8E464 A468E464-G466 VanDerWaalsContact C-N 3.31Å; E464-G466 PolarHBondContact O-N 2.79Å; G466-A468 PolarHBondContact O-N 3.05Å; G466-A468 VanDerWaalsContact O-N 3.1Å
467S37.4Very low41.1Very low119 Ų119121.2 Ų121.283%0.83275%0.749SS**  trans-59.8109.315450.90000106.8R465 G469R465-S467 PolarHBondContact O-N 2.86Å; S467-G469 PolarHBondContact O-N 3.07Å
468A38Very low40.7Very low90 Ų90121.9 Ų121.974%0.74476%0.756SS**PPolyproline II helixtrans-55.8135.7-177.300000110.5G466 F470G466-A468 PolarHBondContact O-N 3.05Å; G466-A468 VanDerWaalsContact O-N 3.1Å; A468-F470 PolarHBondContact O-N 3.07Å
469G38.9Very low40.8Very low67 Ų67122.1 Ų122.169%0.69175%0.753SS**PPolyproline II helixtrans-61.3129.2178.300000110.7S467 P471S467-G469 PolarHBondContact O-N 3.07Å; G469-P471 WeakPolarHBondContact O-CD 3.31Å
470F38.2Very low40.6Very low211 Ų211124.9 Ų124.993%0.92577%0.771SS**PPolyproline II helixtrans-57.5118-178.6-70.9-95.6000112.1A468A468-F470 PolarHBondContact O-N 3.07Å
471P39.9Very low40Very low120 Ų120126.7 Ų126.778%0.77979%0.79SS**PPolyproline II helixtrans-80.9129.1158.7-0.921.5000108.6G469G469-P471 WeakPolarHBondContact O-CD 3.31Å
472G35.3Very low40.4Very low74 Ų74123.7 Ų123.776%0.76379%0.791SS**  trans42.1108.9159.300000120
473Q47.2Very low40Very low192 Ų192131.6 Ų131.690%0.89781%0.81SS**  trans-57.9156.7141.1-70-175.36.900109.5
474P43.6Very low40Very low128 Ų128131.1 Ų131.183%0.83180%0.804SS**  cis-142.4-179.529.541.5-22.4000117.1
475G33.3Very low40.6Very low70 Ų70129.2 Ų129.272%0.72281%0.805SS**  trans143.697161.800000115.4
476P51.6Low41.1Very low129 Ų129123.3 Ų123.384%0.83880%0.799SS**  trans-90.9137.9-178.833.4-33000115.1
477K46.7Very low41Very low189 Ų189123.5 Ų123.582%0.82280%0.801SS**  trans73.2125.1162.3-166.4169.1-173.9173.20119.3
478G34Very low41Very low73 Ų73123.4 Ų123.475%0.75380%0.8SS**  trans-171.872.3165.800000112.9
479E48.3Very low40.9Very low166 Ų166124.1 Ų124.178%0.77680%0.8SS**  trans-77.2128.5153-61.3168113.400106.1
480P38.3Very low41Very low131 Ų131128 Ų12885%0.85180%0.803SS**  -141.2-176.565.837.4-18.2000113.2
481G31.4Very low41.4Very low75 Ų75124 Ų12477%0.77380%0.799SS**  cis-179.6166.6-300000110.8
482A50.1Low41.3Very low105 Ų105122.2 Ų122.287%0.86880%0.802SS**  trans-92.4132.3-168.700000114.8
483R33.9Very low41.6Very low258 Ų258123.5 Ų123.597%0.97481%0.805SS**  trans-159.1146.8149.5-115.7-178.1167.1170-3.5110.6
484G39.5Very low41.6Very low59 Ų59120.7 Ų120.761%0.60880%0.803SS**  cis-174167.3-3.600000114.7
485V48.2Very low41.4Very low149 Ų149118 Ų11890%0.90380%0.799SS**  trans-101.8118.8169-175.80000108.1
486P48Very low41.9Very low123 Ų123123.4 Ų123.480%0.79980%0.803SS**  trans-97.8148.2177.4-4.125.1000113.6
487G39.6Very low41.2Very low66 Ų66122.7 Ų122.768%0.6879%0.792SS**  trans100.478.7176.800000113.4
488S36.9Very low40.7Very low116 Ų116117 Ų11781%0.81179%0.787SS**  69.5124.955.8-46.70000111.6
489S36.8Very low41Very low105 Ų105124 Ų12473%0.73479%0.791SS**  cis-147.9141.330.636.70000111.9
490I40.1Very low41Very low149 Ų149121.4 Ų121.476%0.76479%0.788SS**  71.5132.170.7-59.5158000113.1
491P45.8Very low41.1Very low128 Ų128118.9 Ų118.983%0.83179%0.786SS**  cis-142.1-172.6-26.341.1-21.3000115.2
492G38Very low41.5Very low81 Ų81122 Ų12284%0.83578%0.784SS**  trans148.2126153.100000119.1
493A41.7Very low40.6Very low101 Ų101124.9 Ų124.984%0.83579%0.785SS**  trans-167.9-178.2171.700000109.2
494P48.4Very low40.8Very low133 Ų133116.2 Ų116.286%0.86478%0.776SS**  cis-130.6-173.6-11.242.3-25.9000114.1
495G39.5Very low40.8Very low72 Ų72116.6 Ų116.674%0.74277%0.773SS**  trans-171.7147168.500000113
496K42.9Very low40.4Very low183 Ų183115.3 Ų115.380%0.79677%0.766SS**  trans-166.1163.1-159.2-95.9-100.8-173.3-174.40110.3
497D37.5Very low40.4Very low115 Ų115111.5 Ų111.562%0.61575%0.749SS**  cis-149167-3.1-150.2-23.7000108.1
498G36.2Very low40.2Very low69 Ų69115.7 Ų115.771%0.71175%0.748SS**  trans171.7134.6176.100000116.3
499W40.3Very low40.2Very low220 Ų220118.1 Ų118.183%0.83374%0.744SS**  trans-133.4-178.9-172.7-70.362.1000109.9
500P48.4Very low40.7Very low112 Ų112114.7 Ų114.773%0.72773%0.725SS**  cis-130.5-179.1-13.427.5-5000114.7
501G39.5Very low40.6Very low78 Ų78113.1 Ų113.180%0.80472%0.715SS**  trans-173.1114.4158.700000112.9
502L39.2Very low40.9Very low139 Ų139111 Ų11173%0.72870%0.701SS**  trans-106.7140-174.6-78.680.1000113
503N32.5Very low41.4Very low167 Ų167109.1 Ų109.189%0.89368%0.682SS**  170.5153.9102.1-95.2-48.4000114.6
504G37.4Very low41.3Very low76 Ų76108.1 Ų108.178%0.78467%0.666SS**  trans159.7129161.600000115.1
505A39.4Very low41.6Very low66 Ų66108 Ų10855%0.54567%0.666SS.*  trans-176.7146.5162.600000112
506V40.5Very low42.1Very low123 Ų123107.7 Ų107.775%0.74566%0.663SS**  trans-149.5115.2163.1178.50000110.1S1359 P1360 G1361V506-S1359 CarbonylContact C-O 3.5Å; V506-P1360 CarbonylContact O-C 3.55Å; V506-P1360 WeakPolarHBondContact O-CA 3.42Å; V506-P1360 WeakPolarHBondContact O-CB 3.34Å; V506-G1361 PolarHBondContact O-N 3.2Å
507G47.8Very low41.8Very low43 Ų43105.3 Ų105.344%0.44367%0.666SS.*PPolyproline II helixtrans-50160.9-162.200000121.2S1359 G1361G507-S1359 VanDerWaalsContact CA-O 3.29Å; G507-S1359 WeakPolarHBondContact CA-O 3.46Å; G507-S1359 PolarHBondContact N-O 3.46Å; G507-G1361 VanDerWaalsContact C-N 3.29Å; G507-G1361 PolarHBondContact O-N 2.62Å; G507-G1361 VanDerWaalsContact O-N 3.15Å
508K35.8Very low42Very low153 Ų153111 Ų11167%0.66568%0.679SS**PPolyproline II helixtrans-98.5141173.2-119170.8-162.2175.10111.6P1360 G1361K508-P1360 VanDerWaalsContact CD-O 3.25Å; K508-P1360 WeakPolarHBondContact CD-O 3.47Å; K508-P1360 VanDerWaalsContact CE-O 3.29Å; K508-P1360 WeakPolarHBondContact CE-O 3.3Å; K508-P1360 VanDerWaalsContact CG-O 3.31Å; K508-P1360 WeakPolarHBondContact CG-O 3.07Å; K508-G1361 WeakPolarHBondContact CE-O 3.35Å; K508-G1361 VanDerWaalsContact CG-O 3.28Å; K508-G1361 WeakPolarHBondContact CG-O 3.32Å
509K35.9Very low42.4Very low168 Ų168110.7 Ų110.773%0.7368%0.676SS**PPolyproline II helixtrans-72.9163.8176.9-176.8-179175.9-174.60112.5E1362K509-E1362 WeakPolarHBondContact CD-OE1 3.26Å
510G47.4Very low42.5Very low33 Ų33108.1 Ų108.134%0.3468%0.676SS.*  trans-158.5-168.9160.100000113.5
511E38.1Very low42.3Very low115 Ų115107.9 Ų107.954%0.53768%0.675SS.*PPolyproline II helixtrans-72156.2-150.5-57.192.8157.900117.6R1059E511-R1059 VanDerWaalsContact O-CD 3.31Å; E511-R1059 WeakPolarHBondContact O-CD 3.49Å; E511-R1059 PolarHBondContact O-NE 3.43Å; E511-R1059 IonicContact OE2-CZ 3.73Å; E511-R1059 IonicContact OE2-NE 3.89Å; E511-R1059 IonicContact OE2-NH2 3.79Å; E511-R1059 PolarHBondContact OE2-NH2 3.29Å
512P52.2Low42.3Very low84 Ų84107.7 Ų107.755%0.54567%0.673SS.*PPolyproline II helixtrans-75.7173174.1-10.129000114.4
513G48.6Very low42.2Very low42 Ų42106.4 Ų106.443%0.43367%0.667SS.*PPolyproline II helixtrans-103.1164166.700000113.1
514P40.5Very low42.5Very low79 Ų79104.2 Ų104.251%0.51367%0.665SS.*PPolyproline II helixtrans-84.5159.9-166.434.4-37.1000114.3E1056P514-E1056 VanDerWaalsContact CD-O 3.27Å; P514-E1056 WeakPolarHBondContact CD-O 3.28Å; P514-E1056 VanDerWaalsContact CG-O 3.29Å; P514-E1056 WeakPolarHBondContact CG-O 3.34Å
515P53.9Low42.6Very low130 Ų130107 Ų10784%0.84466%0.661SS**PPolyproline II helixtrans-76.3148.1-174.2-15.431.5000115.1
516G49.8Very low42.6Very low66 Ų66112.7 Ų112.768%0.6868%0.675SS**PPolyproline II helixtrans-78161.3169.200000113.9
517P37.9Very low42.6Very low134 Ų134110.7 Ų110.787%0.8768%0.68SS**PPolyproline II helixtrans-76.3151.4-170.830.8-36000114.5
518R41.3Very low42.2Very low235 Ų235113.6 Ų113.689%0.88769%0.688SS**PPolyproline II helixtrans-78.6126.2-177.9179.8177.7179173.50.9112.2
519G43.4Very low42.6Very low62 Ų62111.8 Ų111.864%0.63969%0.692SS**PPolyproline II helixtrans-65.8157.3171.800000114
520I43.4Very low42.7Very low165 Ų165107.1 Ų107.185%0.84669%0.692SS**PPolyproline II helixtrans-72.2136.6-173.7-58.5171.4000110.6G522I520-G522 PolarHBondContact O-N 3.15Å
521P44.5Very low42.7Very low107 Ų107111.4 Ų111.470%0.69571%0.714SS**PPolyproline II helixtrans-67.3125.1169.6-14.529.4000110.9
522G39.4Very low43.2Very low75 Ų75112.4 Ų112.477%0.77373%0.727SS**PPolyproline II helixtrans-103.8124.717100000111.1I520I520-G522 PolarHBondContact O-N 3.15Å
523D36.4Very low42.8Very low111 Ų111111.1 Ų111.159%0.59473%0.729SS**PPolyproline II helixtrans-74.1131.1170.2-73.4-24.5000110.5S1631D523-S1631 WeakPolarHBondContact OD2-CA 3.29Å; D523-S1631 WeakPolarHBondContact OD2-CB 3.1Å; D523-S1631 PolarHBondContact OD2-OG 2.94Å
524S39.7Very low42.6Very low121 Ų121115.3 Ų115.385%0.84675%0.749SS**  trans-159124.4142.6-88.10000112.3H526S524-H526 PolarHBondContact O-N 2.88Å; S524-H526 VanDerWaalsContact O-N 3.1Å
525I38.5Very low43Very low136 Ų136120.2 Ų120.270%0.69777%0.767SS**  trans-59.4103.7174.3-60.7158.9000109.4
526H38.8Very low42.6Very low185 Ų185116.6 Ų116.686%0.85675%0.754SS**  trans-179.182.2145.6-86.7-43.7000109S524 V528S524-H526 PolarHBondContact O-N 2.88Å; S524-H526 VanDerWaalsContact O-N 3.1Å; H526-V528 PolarHBondContact O-N 3.36Å
527G41.4Very low42.3Very low81 Ų81118.8 Ų118.884%0.83576%0.756SS**  trans-76.9115.3-172.900000114.1
528V39.9Very low43.1Very low103 Ų103122.5 Ų122.562%0.62476%0.758SS**  trans-125.5134.5141-175.30000106.4F69 H526 G530F69-V528 HydrophobicContact CZ-CG1 3.99Å; H526-V528 PolarHBondContact O-N 3.36Å; V528-G530 PolarHBondContact O-N 2.83Å
529P43.4Very low43.3Very low115 Ų115113.6 Ų113.675%0.74774%0.74SS**PPolyproline II helixtrans-55.8137.1178.2-25.334.7000111.2P531P529-P531 WeakPolarHBondContact O-CD 3.37Å; P529-P531 VanDerWaalsContact O-N 3.11Å
530G39.2Very low43Very low70 Ų70118.9 Ų118.972%0.72275%0.754SS**PPolyproline II helixtrans-53.7119.5167.300000108.3V528 V532V528-G530 PolarHBondContact O-N 2.83Å; G530-V532 PolarHBondContact O-N 3.26Å
531P46.2Very low43.2Very low123 Ų123120.9 Ų120.980%0.79976%0.756SS**PPolyproline II helixtrans-61.3141.6-170.122.9-32.9000110.2P529 G533P529-P531 WeakPolarHBondContact O-CD 3.37Å; P529-P531 VanDerWaalsContact O-N 3.11Å; P531-G533 PolarHBondContact O-N 3.18Å
532V48.5Very low42.9Very low137 Ų137118.2 Ų118.283%0.8375%0.748SS**  trans-52.9113.9-177.3176.80000109.4G530G530-V532 PolarHBondContact O-N 3.26Å
533G44.2Very low42.9Very low57 Ų57125.8 Ų125.859%0.58876%0.755SS**  trans-53.6130.6170.700000108.9P531 M535P531-G533 PolarHBondContact O-N 3.18Å; G533-M535 PolarHBondContact O-N 3.37Å
534P43.9Very low43.4Very low129 Ų129128.1 Ų128.184%0.83877%0.767SS**  trans-58.7135-16420.6-32.5000112G536P534-G536 PolarHBondContact O-N 2.03Å
535M48.8Very low43.6Very low182 Ų182125.6 Ų125.690%0.89776%0.761SS**  trans-59.8107.7-176.8178.3179.46500111.2G533G533-M535 PolarHBondContact O-N 3.37Å
536G45.4Very low44.1Very low55 Ų55128.2 Ų128.257%0.56777%0.77SS**  trans-62.7150.6170.900000112.2P534P534-G536 PolarHBondContact O-N 2.03Å
537P43.6Very low44.7Very low112 Ų112126.6 Ų126.673%0.72777%0.768SS**  trans-65.1139.7-178.626.9-34.3000111.9G539P537-G539 PolarHBondContact O-N 2.95Å
538K55.4Low45.1Very low211 Ų211126.1 Ų126.192%0.91776%0.763SS**  trans-73.494-176.9-175.8-167.5172.8-169.30112
539G44.6Very low45.9Very low49 Ų49127.2 Ų127.251%0.50577%0.77SS.*  trans-77.6-177.5154.400000112.2P537 K541P537-G539 PolarHBondContact O-N 2.95Å; G539-K541 PolarHBondContact O-N 2.84Å
540D37.4Very low46.5Very low173 Ų173127 Ų12793%0.92577%0.769SS**SBendtrans-70.468.8171.3-79.9-44.4000111.5G542D540-G542 PolarHBondContact O-N 2.85Å
541K47.3Very low47.4Very low206 Ų206125.7 Ų125.790%0.89676%0.755SS**SBendtrans25.556.8-165.9-154.4-174.6-177.5-173.10113.1G539G539-K541 PolarHBondContact O-N 2.84Å
542G39.4Very low47.9Very low51 Ų51131.1 Ų131.153%0.52676%0.76SS.*PPolyproline II helixtrans-60.1169.3176.900000111.7D540 D544D540-G542 PolarHBondContact O-N 2.85Å; G542-D544 PolarHBondContact O-N 2.96Å
543Y39.5Very low48.6Very low234 Ų234130.2 Ų130.292%0.91876%0.757SS**SBendtrans-47.6138.1162.4-64.4-89.2000109.3G545Y543-G545 PolarHBondContact O-N 2.88Å; Y543-G545 VanDerWaalsContact O-N 3.11Å
544D45.8Very low49.4Very low160 Ų160129 Ų12986%0.85674%0.744SS**PPolyproline II helixtrans-50.2123.9171.6-61.1-58.3000107.7G542 Q546G542-D544 PolarHBondContact O-N 2.96Å; D544-Q546 PolarHBondContact O-N 3.18Å
545G44.2Very low50.3Low69 Ų69126.5 Ų126.571%0.71173%0.734SS**PPolyproline II helixtrans-56.8126.5-172.400000109.1Y543 D547Y543-G545 PolarHBondContact O-N 2.88Å; Y543-G545 VanDerWaalsContact O-N 3.11Å; G545-D547 PolarHBondContact O-N 3.12Å; G545-D547 VanDerWaalsContact O-N 3.16Å
546Q48.8Very low51.1Low190 Ų190123.9 Ų123.989%0.88873%0.73SS**PPolyproline II helixtrans-46.3126.2178.8-72.3-178.1-21.900109.1D544 G548D544-Q546 PolarHBondContact O-N 3.18Å; Q546-G548 PolarHBondContact O-N 3.44Å
547D52.3Low51.9Low151 Ų151122.9 Ų122.981%0.80772%0.72SS**PPolyproline II helixtrans-46.4116.7-176.9-76.6-49.1000109.3G545 T549G545-D547 PolarHBondContact O-N 3.12Å; G545-D547 VanDerWaalsContact O-N 3.16Å; D547-T549 PolarHBondContact O-N 3.2Å
548G49Very low52.8Low71 Ų71123.4 Ų123.473%0.73272%0.724SS**PPolyproline II helixtrans-54.3116.3-175.800000108.5Q546 P550Q546-G548 PolarHBondContact O-N 3.44Å; G548-P550 WeakPolarHBondContact O-CD 3.03Å
549T56.1Low52.9Low127 Ų127122.7 Ų122.778%0.77972%0.721SS**  trans-44.3115.4-166.149.20000109.8D547 G551D547-T549 PolarHBondContact O-N 3.2Å; T549-G551 PolarHBondContact O-N 3.43Å; T549-G551 VanDerWaalsContact O-N 3.11Å
550P56.3Low53.5Low111 Ų111122.8 Ų122.872%0.72172%0.722SS**PPolyproline II helixtrans-50.7123.7-170.4-31.935.8000110.6G548 W552G548-P550 WeakPolarHBondContact O-CD 3.03Å; P550-W552 PolarHBondContact O-N 2.76Å; P550-W552 VanDerWaalsContact O-N 3.12Å
551G58.1Low54.5Low41 Ų41122 Ų12242%0.42372%0.717SS.*PPolyproline II helixtrans-51.6123.6-179.600000108.9T549 P553T549-G551 PolarHBondContact O-N 3.43Å; T549-G551 VanDerWaalsContact O-N 3.11Å; G551-P553 VanDerWaalsContact O-N 3.13Å
552W57.9Low54.9Low238 Ų238121.6 Ų121.690%0.90272%0.716SS**PPolyproline II helixtrans-50.4123.6-174.9-76.972.4000108.6P550 G554P550-W552 PolarHBondContact O-N 2.76Å; P550-W552 VanDerWaalsContact O-N 3.12Å; W552-G554 PolarHBondContact O-N 3.33Å
553P63.4Low55.5Low118 Ų118122 Ų12277%0.76672%0.72SS**PPolyproline II helixtrans-52.7121-178.3-28.535.2000109.6G551 A555G551-P553 VanDerWaalsContact O-N 3.13Å; P553-A555 PolarHBondContact O-N 2.8Å
554G59.9Low55.9Low31 Ų31112.9 Ų112.932%0.3270%0.697SS.*PPolyproline II helixtrans-51130.3177.600000108.9W552 P556W552-G554 PolarHBondContact O-N 3.33Å; G554-P556 VanDerWaalsContact O-N 3.15Å
555A63.6Low56Low77 Ų77111.7 Ų111.764%0.63670%0.701SS**PPolyproline II helixtrans-49.8124.2-171.100000109.4P553 G557P553-A555 PolarHBondContact O-N 2.8Å; A555-G557 PolarHBondContact O-N 2.8Å
556P65.5Low56.7Low126 Ų126110.2 Ų110.282%0.81868%0.679SS**  trans-54.8112.9-175.3-28.835.5000110.2G554G554-P556 VanDerWaalsContact O-N 3.15Å
557G61Low56.7Low34 Ų34107.3 Ų107.335%0.35167%0.67SS.*  trans-52.6139.6-177.900000110.1A555 K559A555-G557 PolarHBondContact O-N 2.8Å; G557-K559 PolarHBondContact O-N 3.28Å; G557-K559 VanDerWaalsContact O-N 3.08Å
558P64.2Low56.5Low123 Ų123108.9 Ų108.980%0.79967%0.666SS**  trans-52.7122.1-171.621-32.7000109.7G560P558-G560 PolarHBondContact O-N 2.81Å
559K57.4Low56.6Low197 Ų197109.8 Ų109.886%0.85766%0.66SS**  trans-63.8102-171.9-178.9-179.3-1791770109.1G557 D561G557-K559 PolarHBondContact O-N 3.28Å; G557-K559 VanDerWaalsContact O-N 3.08Å; K559-D561 PolarHBondContact O-N 2.83Å
560G57.4Low56.4Low51 Ų51115.1 Ų115.153%0.52667%0.666SS.*  trans-47.4135.6-177.400000112.1P558 K562P558-G560 PolarHBondContact O-N 2.81Å; G560-K562 PolarHBondContact O-N 2.79Å
561D57Low56.3Low156 Ų156115.7 Ų115.783%0.83467%0.669SS**  trans-56.8135.5-162.9-74.4-62.4000113.2K559 G563K559-D561 PolarHBondContact O-N 2.83Å; D561-G563 PolarHBondContact O-N 3.46Å
562K55.2Low56.1Low198 Ų198117.3 Ų117.386%0.86169%0.686SS**  trans-73.791.9-178.3-169.8-172.5-179.9-168.80109.2G560 G564G560-K562 PolarHBondContact O-N 2.79Å; K562-G564 PolarHBondContact O-N 2.86Å
563G53.1Low56Low60 Ų60115.1 Ų115.162%0.61969%0.686SS**  trans-46124.4172.700000111.3D561D561-G563 PolarHBondContact O-N 3.46Å
564G47.2Very low55.8Low41 Ų41119.1 Ų119.142%0.42369%0.691SS.*  trans-69.6153.8-176.100000112.5K562 C566K562-G564 PolarHBondContact O-N 2.86Å; G564-C566 PolarHBondContact O-N 3.34Å; G564-C566 PolarHBondContact O-SG 3Å
565S49.4Very low55.7Low136 Ų136119.8 Ų119.895%0.95170%0.698SS**SBendtrans-70.299177.6-57.90000111
566C57.4Low55.5Low37 Ų37125 Ų12525%0.2571%0.709CS.*  trans-161.5147176.457.40000112.7G564 Y568 P904 G905G564-C566 PolarHBondContact O-N 3.34Å; G564-C566 PolarHBondContact O-SG 3Å; C566-Y568 PolarHBondContact O-N 2.81Å; C566-P904 HydrophobicContact CB-CB 3.96Å; C566-G905 PolarHBondContact SG-O 3.39Å
567D49.6Very low55.2Low130 Ų130128.8 Ų128.870%0.69571%0.713SS**SBendtrans-79.5-8.2-165.9-59.9-72.6000116.6
568Y48.1Very low55.1Low183 Ų183128.9 Ų128.972%0.71871%0.714SS**SBendtrans-144.491.1175.3-62.8-90.2000113C566 P904C566-Y568 PolarHBondContact O-N 2.81Å; Y568-P904 HydrophobicContact CD2-CB 4.43Å; Y568-P904 HydrophobicContact CD2-CG 4.24Å; Y568-P904 HydrophobicContact CG-CG 4.47Å
569C49.9Very low54.9Low91 Ų91130.6 Ų130.662%0.61571%0.711SS**  trans-148160.1150.1-1010000109.6
570R52.7Low55.1Low239 Ų239130.3 Ų130.390%0.90271%0.705SS**PPolyproline II helixtrans-67.2150.6-178.9-89.7-179168.2173.8-4.5111.6G572R570-G572 PolarHBondContact O-N 3.28Å
571P55Low55.2Low122 Ų122129.2 Ų129.279%0.79269%0.694SS**PPolyproline II helixtrans-56133.2169.4-22.533.4000111
572G53.2Low55.5Low75 Ų75131.7 Ų131.777%0.77369%0.693SS**PPolyproline II helixtrans-63.1146.4171.400000111.2R570R570-G572 PolarHBondContact O-N 3.28Å
573E55.4Low55.7Low193 Ų193127.8 Ų127.890%0.90268%0.682SS**PPolyproline II helixtrans-65.8152-178.9-61.9-168.913200111.4G575E573-G575 PolarHBondContact O-N 3.28Å
574K59.3Low55.8Low201 Ų201127.5 Ų127.587%0.87468%0.678SS**  trans-68.2101.7-176.9-178.8-175.1176.8-177.10109.3E576K574-E576 PolarHBondContact O-N 3.06Å
575G58Low56.2Low45 Ų45130.1 Ų130.146%0.46470%0.696SS.*  trans-45.5136.5175.800000111.9E573E573-G575 PolarHBondContact O-N 3.28Å
576E59.9Low56.6Low186 Ų186129.5 Ų129.587%0.86969%0.689SS**  trans-57.4141.9-169.9-63.6-169123.600111.4K574 G578K574-E576 PolarHBondContact O-N 3.06Å; E576-G578 PolarHBondContact O-N 3.18Å
577K58.5Low56.3Low206 Ų206130.8 Ų130.890%0.89671%0.708SS**  trans-67.5103.8178.1-177.9-175.8176.3-176.40107.6E579K577-E579 PolarHBondContact O-N 2.9Å
578G59.1Low56.3Low36 Ų36130.6 Ų130.637%0.37171%0.714SS.*  trans-43.3137.617800000111.5E576 R580E576-G578 PolarHBondContact O-N 3.18Å; G578-R580 PolarHBondContact O-N 3.36Å
579E60.3Low56.4Low160 Ų160129.6 Ų129.675%0.74872%0.716SS**  trans-51.9140.4-166.8-62.9-169.9141.100111.5K577 G581K577-E579 PolarHBondContact O-N 2.9Å; E579-G581 PolarHBondContact O-N 3.41Å
580R60.8Low56.4Low190 Ų190127.5 Ų127.572%0.71771%0.71SS**  trans-63.6105.3171.4-176.5-153.3-74.3-130.82.2106.9G578 Y582 D583G578-R580 PolarHBondContact O-N 3.36Å; R580-Y582 PolarHBondContact O-N 2.92Å; R580-D583 WeakPolarHBondContact CD-OD1 3.03Å; R580-D583 IonicContact CZ-OD1 3.01Å; R580-D583 IonicContact CZ-OD2 2.98Å; R580-D583 IonicContact NH1-OD1 2.59Å; R580-D583 PolarHBondContact NH1-OD1 3.49Å; R580-D583 IonicContact NH1-OD2 3.99Å; R580-D583 PolarHBondContact NH1-OD2 3.02Å
581G60.8Low55.7Low29 Ų29125 Ų12530%0.29971%0.708SS.*PPolyproline II helixtrans-48.8129.6168.900000109E579 D583E579-G581 PolarHBondContact O-N 3.41Å; G581-D583 PolarHBondContact O-N 2.7Å
582Y62.7Low55.2Low208 Ų208126.2 Ų126.282%0.81670%0.703SS**PPolyproline II helixtrans-49.3128.1-167.1-72.7-92.8000111.5R580 G584R580-Y582 PolarHBondContact O-N 2.92Å; Y582-G584 PolarHBondContact O-N 2.92Å; Y582-G584 VanDerWaalsContact O-N 3.08Å
583D60.4Low54.6Low116 Ų116125.9 Ų125.962%0.6270%0.699SS**PPolyproline II helixtrans-54119.4175.7-64.5-40.2000107.6R580 G581 A585R580-D583 WeakPolarHBondContact CD-OD1 3.03Å; R580-D583 IonicContact CZ-OD1 3.01Å; R580-D583 IonicContact CZ-OD2 2.98Å; R580-D583 IonicContact NH1-OD1 2.59Å; R580-D583 PolarHBondContact NH1-OD1 3.49Å; R580-D583 IonicContact NH1-OD2 3.99Å; R580-D583 PolarHBondContact NH1-OD2 3.02Å; G581-D583 PolarHBondContact O-N 2.7Å; D583-A585 PolarHBondContact O-N 2.8Å
584G54.6Low54Low53 Ų53124.2 Ų124.255%0.54670%0.696SS.*PPolyproline II helixtrans-55.2133.7-171.400000111.3Y582 P586Y582-G584 PolarHBondContact O-N 2.92Å; Y582-G584 VanDerWaalsContact O-N 3.08Å; G584-P586 VanDerWaalsContact O-N 3.14Å
585A54.9Low53.8Low97 Ų97119 Ų11980%0.80268%0.682SS**PPolyproline II helixtrans-49.3121.7-173.600000110.5D583 G587D583-A585 PolarHBondContact O-N 2.8Å; A585-G587 PolarHBondContact O-N 2.72Å
586P57.5Low53Low123 Ų123120.6 Ų120.680%0.79970%0.699SS**PPolyproline II helixtrans-54.8125.9-176.8-28.235.1000110.7G584G584-P586 VanDerWaalsContact O-N 3.14Å
587G51.1Low52.2Low63 Ų63119.9 Ų119.965%0.64970%0.7SS**PPolyproline II helixtrans-52136.7173.500000109.5A585 Q589A585-G587 PolarHBondContact O-N 2.72Å; G587-Q589 PolarHBondContact O-N 3.3Å
588P50.8Low51.5Low126 Ų126118.7 Ų118.782%0.81870%0.699SS**PPolyproline II helixtrans-54.2127.3-167.920.9-33.2000110.4G590P588-G590 PolarHBondContact O-N 3.03Å
589Q50.2Low50.7Low163 Ų163120.2 Ų120.276%0.76272%0.715SS**  trans-51.8113.4-179.6179.1177.7-21.100108.8G587 Q591G587-Q589 PolarHBondContact O-N 3.3Å; Q589-Q591 PolarHBondContact O-N 2.99Å
590G49.6Very low49.9Very low47 Ų47119.3 Ų119.349%0.48572%0.723SS.*  trans-52.3131.5-177.900000109.7P588 Q592P588-G590 PolarHBondContact O-N 3.03Å; G590-Q592 PolarHBondContact O-N 2.85Å
591Q38Very low49Very low187 Ų187115.5 Ų115.587%0.87473%0.732SS**  trans-50.1108.6-167.1-72-175.5-2.400111Q589 G593Q589-Q591 PolarHBondContact O-N 2.99Å; Q591-G593 PolarHBondContact O-N 3.09Å
592Q43.4Very low48Very low147 Ų147117.4 Ų117.469%0.68775%0.752SS**  trans-62112.2162.8-1761721.100105.6G590 L594G590-Q592 PolarHBondContact O-N 2.85Å; Q592-L594 PolarHBondContact O-N 2.94Å; Q592-L594 VanDerWaalsContact O-N 3.15Å
593G42.1Very low47Very low67 Ų67113.3 Ų113.369%0.69175%0.751SS**  trans-48123.2-17100000110.5Q591 P595Q591-G593 PolarHBondContact O-N 3.09Å; G593-P595 WeakPolarHBondContact O-CD 3.39Å
594L41.9Very low46Very low158 Ų158116.7 Ų116.783%0.82776%0.763SS**  trans-43.9112.3-164.1-82.1165.6000111.2Q592 G596Q592-L594 PolarHBondContact O-N 2.94Å; Q592-L594 VanDerWaalsContact O-N 3.15Å; L594-G596 PolarHBondContact O-N 3.27Å
595P55.9Low45.5Very low91 Ų91117.3 Ų117.359%0.59177%0.77SS**  trans-57130.2176.6-25.434.9000109.5G593 I597G593-P595 WeakPolarHBondContact O-CD 3.39Å; P595-I597 PolarHBondContact O-N 3.31Å
596G39.7Very low44.9Very low79 Ų79119.6 Ų119.681%0.81477%0.768SS**  trans-57.5110.6-173.200000112.1L594L594-G596 PolarHBondContact O-N 3.27Å
597I44Very low44.2Very low172 Ų172120.1 Ų120.188%0.88276%0.764SS**  trans-77.8132.4174.7-43179.5000107.7P595P595-I597 PolarHBondContact O-N 3.31Å
598M43.7Very low44Very low180 Ų180117.7 Ų117.789%0.88774%0.739SS**  trans-115.2131.9-153.8-179.5178.765.800114.1
599G42.4Very low43.5Very low68 Ų68116.4 Ų116.470%0.70173%0.725SS**  trans88.1169.2171.100000115.1
600P43.3Very low43.7Very low141 Ų141113.4 Ų113.492%0.91672%0.719SS**  cis-98.5-175.27.339.1-34.7000114.3
601A41.7Very low43.6Very low111 Ų111112.6 Ų112.692%0.91771%0.711SS**  trans-133161.8-164.600000115.4
602G41Very low44.3Very low68 Ų68109.3 Ų109.370%0.70171%0.706SS**  trans-177155.3175.200000110.7
603P40.3Very low44.6Very low123 Ų123107.6 Ų107.680%0.79971%0.708SS**  -117160.6-97.938.4-36.2000116.3
604Q39.9Very low44.8Very low186 Ų186108.1 Ų108.187%0.86971%0.714SS**  trans27.2125.6142.8-174.3-179.5-2.900118.3
605G44.2Very low45.1Very low67 Ų67110.3 Ų110.369%0.69171%0.711SS**  cis-177.6-169.316.600000108.1
606D42.2Very low44.4Very low144 Ų144112.6 Ų112.677%0.7772%0.723SS**  cis-128.8119.110.1-66.7-45.2000111.7
607D42.3Very low44.7Very low135 Ų135112.2 Ų112.272%0.72272%0.719SS**  trans-89.7160.4157.2-91.815.4000109.2A713D607-A713 CarbonylContact C-O 3.44Å; D607-A713 VanDerWaalsContact CA-O 3.28Å; D607-A713 WeakPolarHBondContact CA-O 3.32Å; D607-A713 HydrophobicContact CB-CB 3.99Å; D607-A713 WeakPolarHBondContact CB-O 3.45Å
608G48.4Very low44.5Very low12 Ų12110.8 Ų110.812%0.12471%0.709CS.*  trans-145.6-158.5-17300000117.2P610 A713 G714G608-P610 WeakPolarHBondContact O-CD 3.49Å; G608-A713 PolarHBondContact N-O 2.87Å; G608-A713 CarbonylContact O-C 3.6Å; G608-A713 VanDerWaalsContact O-C 3.25Å; G608-A713 VanDerWaalsContact O-CA 3.28Å; G608-A713 WeakPolarHBondContact O-CA 3.22Å; G608-A713 WeakPolarHBondContact O-CB 3.13Å; G608-G714 VanDerWaalsContact C-C 3.49Å; G608-G714 CarbonylContact C-O 3.55Å; G608-G714 PolarHBondContact O-N 3.12Å
609L39.3Very low44.7Very low98 Ų98109.7 Ų109.751%0.51371%0.712SS.*  trans-51.4114.7-163.7-71165.1000115.2G714 F715L609-G714 PolarHBondContact N-O 3.34Å; L609-F715 HydrophobicContact CD1-CD1 3.63Å; L609-F715 HydrophobicContact CD1-CE1 4.2Å; L609-F715 HydrophobicContact CG-CD1 3.63Å; L609-F715 HydrophobicContact CG-CE1 3.95Å; L609-F715 HydrophobicContact CG-CG 4.37Å
610P53.7Low44.7Very low100 Ų100109.6 Ų109.665%0.64971%0.711SS**PPolyproline II helixtrans-86.2155.8-176.234.1-36.3000114.2G608G608-P610 WeakPolarHBondContact O-CD 3.49Å
611G47.7Very low44.7Very low30 Ų30108.8 Ų108.831%0.30971%0.706SS.*PPolyproline II helixtrans-92.8129.816400000111.9
612P53.2Low45.2Very low119 Ų119109.4 Ų109.477%0.77370%0.7SS**PPolyproline II helixtrans-84.8136.3-169.231.7-35.2000114.3
613P49.6Very low45.3Very low110 Ų110110 Ų11071%0.71471%0.706SS**PPolyproline II helixtrans-62.7129.7150.6-1832.3000110R615P613-R615 PolarHBondContact O-N 3.2Å
614G47.7Very low45.3Very low79 Ų79112 Ų11281%0.81471%0.709SS**PPolyproline II helixtrans-63.8124.7176.500000111.8
615R47.3Very low45.4Very low203 Ų203109.1 Ų109.177%0.76670%0.704SS**PPolyproline II helixtrans-46.4136-176-72.4173.9160-163.4-4.3114.7P613 E618P613-R615 PolarHBondContact O-N 3.2Å; R615-E618 IonicContact CZ-OE1 2.72Å; R615-E618 VanDerWaalsContact CZ-OE1 3.25Å; R615-E618 IonicContact NH1-OE1 2.75Å; R615-E618 PolarHBondContact NH1-OE1 3.46Å; R615-E618 IonicContact NH2-OE1 4Å
616T41.5Very low45.3Very low140 Ų140109.6 Ų109.686%0.85971%0.709SS**PPolyproline II helixtrans-63.5128.1144-41.20000108.4E618T616-E618 PolarHBondContact O-N 3.38Å
617G45Very low45.5Very low71 Ų71114.3 Ų114.373%0.73272%0.716SS**  trans-71.495.5-178.700000113.4
618E41Very low45.5Very low141 Ų141112.8 Ų112.866%0.65972%0.722SS**  trans26.4117.9150.8-68.8171-171.700119.6R615 T616R615-E618 IonicContact CZ-OE1 2.72Å; R615-E618 VanDerWaalsContact CZ-OE1 3.25Å; R615-E618 IonicContact NH1-OE1 2.75Å; R615-E618 PolarHBondContact NH1-OE1 3.46Å; R615-E618 IonicContact NH2-OE1 4Å; T616-E618 PolarHBondContact O-N 3.38Å
619V47.3Very low45.2Very low158 Ų158115.7 Ų115.796%0.95875%0.752SS**  trans-105.4121.2154.7174.20000108.8
620G41.3Very low45.2Very low65 Ų65120.5 Ų120.567%0.6777%0.772SS**  trans156164.1170.700000112.3
621P44.3Very low44.4Very low125 Ų125124.8 Ų124.881%0.81278%0.781SS**PPolyproline II helixcis-100.2166.3-4.538.3-32.1000113.1
622P52.9Low43.9Very low123 Ų123126.9 Ų126.980%0.79980%0.803SS**PPolyproline II helixtrans-76.6133.5177.430.5-34.7000113.4
623G42.1Very low43.3Very low81 Ų81129.6 Ų129.684%0.83581%0.805SS**PPolyproline II helixtrans-87.1139.6168.100000112.3
624L41.6Very low42.5Very low164 Ų164134.6 Ų134.686%0.85982%0.816SS**PPolyproline II helixtrans-90.5129.8-166.6-79155.7000115.1
625V40.9Very low41.8Very low126 Ų126134.6 Ų134.676%0.76482%0.815SS**  trans51.796.2147.7-168.90000118.4
626G43Very low41.2Very low77 Ų77134.3 Ų134.379%0.79482%0.822SS**PPolyproline II helixtrans-96127.4148.700000110.2
627R45.7Very low40.7Very low243 Ų243132.8 Ų132.892%0.91782%0.818SS**PPolyproline II helixtrans-50.4149.7-168.8-69.4176.6173173.3-3.4115.7
628A42.6Very low40.1Very low103 Ų103138 Ų13885%0.85182%0.82SS**PPolyproline II helixtrans-63.7136.3170.800000112.6
629G41.1Very low39.8Very low73 Ų73142.2 Ų142.275%0.75383%0.83SS**PPolyproline II helixtrans-100.4160.9160.400000110.6
630E40.7Very low39.2Very low200 Ų200138.5 Ų138.594%0.93582%0.824SS**PPolyproline II helixtrans-84.9162.5-156.7-66.7-173.6103.100117.3G632E630-G632 PolarHBondContact O-N 3.02Å
631K35.7Very low38.8Very low189 Ų189144 Ų14482%0.82283%0.832SS**  trans-46.8103.1-179-178.3-176.4-177.1178.70114.9
632G37.9Very low38.6Very low75 Ų75143 Ų14377%0.77383%0.834SS**PPolyproline II helixtrans-63.6131.7161.600000111.8E630E630-G632 PolarHBondContact O-N 3.02Å
633Q40.1Very low37.8Very low176 Ų176144.9 Ų144.982%0.82284%0.836SS**PPolyproline II helixtrans-89.7169.8178.4-64.7-174.1-100112.2
634K33.4Very low37.3Very low215 Ų215150.3 Ų150.394%0.93584%0.84SS**PPolyproline II helixtrans-62.2142.8174.7-77.1-176.4172.5-176.90111.6
635G33.4Very low37.5Very low78 Ų78145.5 Ų145.580%0.80483%0.83SS**  trans-128.5143.9157.600000109.2
636E33.6Very low37.9Very low197 Ų197146 Ų14692%0.92184%0.835SS**  trans-95.1168.1-171.7-63.6179.2117.400113.1
637S30.7Very low37.9Very low109 Ų109148.5 Ų148.576%0.76284%0.838SS**  trans-106.4104.3166.1165.40000109.7
638F33.1Very low38Very low179 Ų179139.8 Ų139.879%0.78582%0.824SS**  trans-164.9114.8134.6-127.8-110.3000114.5
639R35.2Very low37.8Very low231 Ų231139.1 Ų139.187%0.87281%0.811SS**  trans48.3106.5135.6-155-177.8-146.7-174.67.2120.5
640G34.4Very low38.6Very low79 Ų79142 Ų14281%0.81482%0.816SS**  trans-160.8153.4160.100000112
641Q33.4Very low38.9Very low180 Ų180135.1 Ų135.184%0.84180%0.799SS**  trans-97.1130.9178.6-67.8170.4-66.300111.7
642A39.1Very low39.1Very low104 Ų104135 Ų13586%0.8681%0.806SS**  trans-162.9156.3154.400000111
643I35.5Very low39.3Very low164 Ų164141 Ų14184%0.84181%0.811SS**  trans-109.8135-174.4-63.4157.6000110
644Q33.6Very low39.4Very low194 Ų194135.6 Ų135.691%0.90780%0.802SS**  trans179.6148.5132.4-104.2176.521.800115.1
645G44.4Very low40.1Very low64 Ų64134.9 Ų134.966%0.6680%0.802SS**  trans90.9100.9146.800000119.2
646P48.8Very low40.6Very low135 Ų135137.2 Ų137.288%0.87780%0.803SS**  trans-101.7120.8169.435.2-28.4000113.9
647P44.1Very low41Very low130 Ų130131.2 Ų131.284%0.84479%0.794SS**  trans-136.1139.6151.535.7-22.2000111.4
648G47.8Very low41.8Very low60 Ų60134.6 Ų134.662%0.61980%0.803SS**  cis-178.9170.2-2.200000107.2
649P38Very low42.1Very low89 Ų89132 Ų13258%0.57881%0.807SS**  trans-65.613518027.2-33.4000111.4G651P649-G651 PolarHBondContact O-N 3.26Å
650P58.4Low42.5Very low134 Ų134124.4 Ų124.487%0.8780%0.8SS**  trans-68.395.7175.2-23.735.7000112.7
651G46.4Very low42.7Very low55 Ų55128.9 Ų128.957%0.56780%0.804SS**  trans-67.1154.617000000113P649P649-G651 PolarHBondContact O-N 3.26Å
652L40.7Very low43.2Very low186 Ų186126.5 Ų126.597%0.97480%0.804SS**  trans-67.9146.5-178.6-68.6165.4000112.5
653K42Very low43.3Very low203 Ų203125.2 Ų125.288%0.88380%0.801SS**  trans-120.9121.7163.8-171178-178.7-176.20110
654G41.3Very low43.5Very low62 Ų62127 Ų12764%0.63981%0.806SS**  trans-85.1165.8171.700000113.1
655E47.6Very low43.9Very low200 Ų200127.8 Ų127.894%0.93581%0.807SS**  trans-73.6139.4173.4-58179.7120.200111
656P45.2Very low43.8Very low127 Ų127127.5 Ų127.583%0.82580%0.804SS**  -142.3162.1114.236.8-23.9000113.1
657G42Very low43.5Very low70 Ų70133 Ų13372%0.72281%0.809SS**  cis-173.3172.4-0.200000112
658L45.9Very low43.4Very low181 Ų181132 Ų13295%0.94881%0.812SS**  trans-85.4158.1-171.8-66.788000114.2
659S40.7Very low43.1Very low124 Ų124132.5 Ų132.587%0.86782%0.817SS**  trans-141.8151.914355.80000109.2
660G43.9Very low43.3Very low71 Ų71136.6 Ų136.673%0.73283%0.833SS**  trans-166.5173.9-172.600000113.6
661L37.9Very low42.9Very low173 Ų173136.4 Ų136.491%0.90683%0.832SS**  trans-150.6165.9-176.1-65.5174.5000109.3
662P44.5Very low42.8Very low130 Ų130137.2 Ų137.284%0.84484%0.84SS**  -118.6166.6-65.332.1-16.2000110.8
663G40.9Very low42.8Very low77 Ų77137.4 Ų137.479%0.79484%0.836SS**  trans-113.3169-173.500000115.6
664E40.2Very low43.3Very low202 Ų202134.3 Ų134.394%0.94484%0.836SS**  trans-106162.1163.6-71-153.5109.300112.2
665K41.2Very low43.3Very low210 Ų210134.9 Ų134.991%0.91384%0.842SS**  trans-85.3155.1177.6-58.3159.2-174.91690108.8
666G41.5Very low42.8Very low59 Ų59133.5 Ų133.561%0.60884%0.84SS**  cis115131.18.300000111.8
667Y43.7Very low43.1Very low250 Ų250133.8 Ų133.898%0.9884%0.843SS**  trans-150.5156.4160-85.5-66.3000109.4
668A41.7Very low43.2Very low109 Ų109133.9 Ų133.990%0.90184%0.843SS**  trans-146.5159-170.500000113.2
669G42.1Very low43Very low70 Ų70131.7 Ų131.772%0.72284%0.84SS**  trans137.9136.117600000111.4
670L42.1Very low43.1Very low175 Ų175130.8 Ų130.892%0.91684%0.84SS**  cis-144149.90.6-83.5163.3000110.4
671P49.9Very low43.3Very low130 Ų130131 Ų13184%0.84484%0.843SS**  trans-104155.5176.938.4-33.2000114.5
672G43.1Very low43.4Very low72 Ų72132.4 Ų132.474%0.74284%0.844SS**  trans145.9149.2165.700000113.2
673Q41.4Very low43.2Very low191 Ų191137.8 Ų137.889%0.89385%0.848SS**  cis-144.1152.6-15.1-76.2-174.7-16.900108.3
674P51.5Low43.4Very low137 Ų137137.1 Ų137.189%0.8984%0.841SS**  trans-82.4141.2-175.832-34.5000113.9
675G42.8Very low43.5Very low74 Ų74136 Ų13676%0.76384%0.84SS**  trans-124.3107.3-178.900000114.7
676L35.7Very low43.5Very low171 Ų171135.9 Ų135.990%0.89584%0.84SS**  trans17.9123.3156-58.4173.5000120.8
677P52.5Low43.8Very low134 Ų134135.9 Ų135.987%0.8784%0.84SS**  trans-87.1153.5173.335.3-34.9000114.8
678G43.8Very low43.8Very low71 Ų71133.3 Ų133.373%0.73284%0.837SS**  trans-118.5166.5173.300000113.6
679P42.4Very low44Very low135 Ų135136.7 Ų136.788%0.87784%0.836SS**PPolyproline II helixtrans-91.9166-156.936-37.5000116.5
680A41.6Very low44.2Very low106 Ų106136.3 Ų136.388%0.87683%0.832SS**PPolyproline II helixtrans-82.8155179.300000114.1
681G48Very low44.4Very low76 Ų76135.7 Ų135.778%0.78483%0.828SS**PPolyproline II helixtrans-101.6172.3174.300000114
682E41.7Very low44.8Very low202 Ų202134.7 Ų134.794%0.94482%0.822SS**PPolyproline II helixtrans-84.7170.3-163-64.1-169.4116.700116.8G684E682-G684 PolarHBondContact O-N 3.03Å
683R39.1Very low45Very low243 Ų243134.5 Ų134.592%0.91782%0.82SS**  trans-71.3104.5-174-179.2-174.4-65.1168.90.5112.6
684G46.1Very low45.4Very low63 Ų63133.2 Ų133.265%0.64982%0.817SS**  trans-62.6153.6162.900000113E682E682-G684 PolarHBondContact O-N 3.03Å
685L42.1Very low45.5Very low178 Ų178132.1 Ų132.193%0.93281%0.81SS**  trans-65.5151.4178.9-73.3165.8000112.1G687L685-G687 PolarHBondContact O-N 3.33Å
686K41Very low45.8Very low208 Ų208131.9 Ų131.990%0.90481%0.808SS**  trans-64.5100.5178.6-178.6-173.9177-173.90110.4
687G46.7Very low46.6Very low59 Ų59134.4 Ų134.461%0.60881%0.805SS**  trans-60151.9167.600000111.7L685L685-G687 PolarHBondContact O-N 3.33Å
688E44.6Very low46.9Very low196 Ų196133.9 Ų133.992%0.91680%0.802SS**  trans-63.8147.3176.6-62.3-174.1138.100111G690E688-G690 PolarHBondContact O-N 3.47Å
689M45.2Very low47.4Very low180 Ų180132.8 Ų132.889%0.88779%0.791SS**  trans-70104.6-176.8-179.7164.257.700109.8
690G47.1Very low48Very low62 Ų62132.3 Ų132.364%0.63978%0.775SS**PPolyproline II helixtrans-53139.117500000111.4E688E688-G690 PolarHBondContact O-N 3.47Å
691I46.8Very low48.9Very low162 Ų162134.8 Ų134.883%0.83177%0.773SS**PPolyproline II helixtrans-53126.9-178.4-57.3172.3000108.8G693I691-G693 PolarHBondContact O-N 2.67Å; I691-G693 VanDerWaalsContact O-N 3.16Å
692P58.3Low49.2Very low109 Ų109132.9 Ų132.971%0.70875%0.754SS**PPolyproline II helixtrans-52.6124.2177.2-28.335.6000111I694P692-I694 PolarHBondContact O-N 2.94Å
693G46.7Very low50Low68 Ų68126.5 Ų126.570%0.70174%0.736SS**PPolyproline II helixtrans-56.4127.9178.500000110I691 P695I691-G693 PolarHBondContact O-N 2.67Å; I691-G693 VanDerWaalsContact O-N 3.16Å; G693-P695 WeakPolarHBondContact O-CD 3.38Å; G693-P695 VanDerWaalsContact O-N 3.15Å
694I49.1Very low51.1Low163 Ų163120.8 Ų120.884%0.83673%0.73SS**PPolyproline II helixtrans-53.9123.1178.3-57.5173.4000107.5P692 G696P692-I694 PolarHBondContact O-N 2.94Å; I694-G696 PolarHBondContact O-N 3.14Å; I694-G696 VanDerWaalsContact O-N 3.17Å
695P54.7Low51.5Low115 Ų115119.7 Ų119.775%0.74772%0.718SS**PPolyproline II helixtrans-53.2126.3179-28.535.7000110.3G693 R697G693-P695 WeakPolarHBondContact O-CD 3.38Å; G693-P695 VanDerWaalsContact O-N 3.15Å; P695-R697 PolarHBondContact O-N 2.89Å
696G49.5Very low52.3Low69 Ų69120.4 Ų120.471%0.71172%0.715SS**PPolyproline II helixtrans-53.9133.3174.600000109.1I694I694-G696 PolarHBondContact O-N 3.14Å; I694-G696 VanDerWaalsContact O-N 3.17Å
697R52.5Low53.3Low223 Ų223116.3 Ų116.384%0.84271%0.709SS**PPolyproline II helixtrans-53.6130.8171.8-83.9180156.5-122.7-14.5108.1P695 G699P695-R697 PolarHBondContact O-N 2.89Å; R697-G699 PolarHBondContact O-N 3.23Å
698P57.4Low53.8Low123 Ų123115.9 Ų115.980%0.79970%0.704SS**PPolyproline II helixtrans-49.5140.7165.5-26.234.9000109.5
699G54.7Low54.4Low48 Ų48115.7 Ų115.750%0.49570%0.703SS.*PPolyproline II helixtrans-55.9152.6170.400000109.8R697 D701R697-G699 PolarHBondContact O-N 3.23Å; G699-D701 PolarHBondContact O-N 2.92Å
700K54.3Low54.9Low125 Ų125115.6 Ų115.654%0.54370%0.698SS.*PPolyproline II helixtrans-61.4126165.7-65.6171.5178.7173.80106.6G702 A1142 A1143K700-G702 PolarHBondContact O-N 3.47Å; K700-A1142 PolarHBondContact NZ-O 3.28Å; K700-A1143 PolarHBondContact NZ-O 3.22Å
701D61.3Low55.3Low158 Ų158114.6 Ų114.685%0.84569%0.688SS**PPolyproline II helixtrans-55.4133.2172.3-64.8-55.5000109.1G699 A703G699-D701 PolarHBondContact O-N 2.92Å; D701-A703 PolarHBondContact O-N 3.14Å
702G55.2Low55.6Low37 Ų37115.6 Ų115.638%0.38169%0.689SS.*PPolyproline II helixtrans-60.6138178.500000110K700K700-G702 PolarHBondContact O-N 3.47Å
703A57.8Low54.9Low68 Ų68112.2 Ų112.256%0.56267%0.671SS**PPolyproline II helixtrans-56.1127.4177.800000109.4D701 G705D701-A703 PolarHBondContact O-N 3.14Å; A703-G705 PolarHBondContact O-N 3.21Å
704P62.4Low55.1Low123 Ų123110.9 Ų110.980%0.79966%0.656SS**PPolyproline II helixtrans-60.7129.4-179.124.2-32.9000109.2F706P704-F706 PolarHBondContact O-N 3.33Å
705G55.3Low55Low39 Ų39110.9 Ų110.940%0.40265%0.651SS.*PPolyproline II helixtrans-57.4138.6-178.700000111.1A703A703-G705 PolarHBondContact O-N 3.21Å
706F58.9Low54.8Low194 Ų194107.3 Ų107.385%0.85164%0.635SS**PPolyproline II helixtrans-55.2129.2177.2-74.4-83000110.1P704 G708P704-F706 PolarHBondContact O-N 3.33Å; F706-G708 PolarHBondContact O-N 3.25Å
707P61.5Low54.6Low122 Ų122111.4 Ų111.479%0.79264%0.639SS**PPolyproline II helixtrans-55.6127.6170.9-24.134000109.6Q709P707-Q709 PolarHBondContact O-N 2.73Å
708G57.7Low54.7Low49 Ų49106.3 Ų106.351%0.50564%0.635SS.*PPolyproline II helixtrans-56.8136.7173.400000109.9F706 K710F706-G708 PolarHBondContact O-N 3.25Å; G708-K710 PolarHBondContact O-N 3.33Å
709Q56.4Low54.6Low192 Ų192103.4 Ų103.490%0.89763%0.627SS**PPolyproline II helixtrans-57.5126.5178.5-75.1-176-13.700109.5P707 G711P707-Q709 PolarHBondContact O-N 2.73Å; Q709-G711 PolarHBondContact O-N 3.11Å; Q709-G711 VanDerWaalsContact O-N 3.12Å
710K55.9Low54.7Low178 Ų178107 Ų10777%0.77464%0.64SS**  trans-67111.4176.5-177.4-169.8175.2-165.80108G708 E712G708-K710 PolarHBondContact O-N 3.33Å; K710-E712 PolarHBondContact O-N 2.81Å
711G55.1Low55Low42 Ų42106.9 Ų106.943%0.43365%0.652SS.*  trans-58.2133.4173.600000111.1Q709Q709-G711 PolarHBondContact O-N 3.11Å; Q709-G711 VanDerWaalsContact O-N 3.12Å
712E53.6Low54.8Low183 Ų183101.4 Ų101.486%0.85563%0.633SS**  trans-69.5160.8166.8-63.3-179.5141.600109.6K710 G714K710-E712 PolarHBondContact O-N 2.81Å; E712-G714 PolarHBondContact O-N 3.46Å
713A43Very low55Low38 Ų38107.6 Ų107.631%0.31465%0.654SS.*SBendtrans-77.690.7-175.300000110.3D607 G608D607-A713 CarbonylContact C-O 3.44Å; D607-A713 VanDerWaalsContact CA-O 3.28Å; D607-A713 WeakPolarHBondContact CA-O 3.32Å; D607-A713 HydrophobicContact CB-CB 3.99Å; D607-A713 WeakPolarHBondContact CB-O 3.45Å; G608-A713 PolarHBondContact N-O 2.87Å; G608-A713 CarbonylContact O-C 3.6Å; G608-A713 VanDerWaalsContact O-C 3.25Å; G608-A713 VanDerWaalsContact O-CA 3.28Å; G608-A713 WeakPolarHBondContact O-CA 3.22Å; G608-A713 WeakPolarHBondContact O-CB 3.13Å
714G50Low55.3Low39 Ų39110.3 Ų110.340%0.40267%0.665SS.*  trans-141.1145.5177.700000111.7G608 L609 E712 G716G608-G714 VanDerWaalsContact C-C 3.49Å; G608-G714 CarbonylContact C-O 3.55Å; G608-G714 PolarHBondContact O-N 3.12Å; L609-G714 PolarHBondContact N-O 3.34Å; E712-G714 PolarHBondContact O-N 3.46Å; G714-G716 PolarHBondContact O-N 3.02Å
715F48.1Very low55.1Low163 Ų163106.4 Ų106.472%0.71565%0.648SS**SBendtrans-67.590.4-170-91.9-86.7000114.1L609L609-F715 HydrophobicContact CD1-CD1 3.63Å; L609-F715 HydrophobicContact CD1-CE1 4.2Å; L609-F715 HydrophobicContact CG-CD1 3.63Å; L609-F715 HydrophobicContact CG-CE1 3.95Å; L609-F715 HydrophobicContact CG-CG 4.37Å
716G49.9Very low55.5Low41 Ų41108.5 Ų108.542%0.42366%0.657SS.*SBend125.838.2120.200000121.5G714G714-G716 PolarHBondContact O-N 3.02Å
717I45.6Very low55.7Low155 Ų155108.9 Ų108.980%0.79566%0.658SS**  trans-134.6129.8163.8-51.5179.3000110.3G719I717-G719 PolarHBondContact O-N 3.36Å
718P55.4Low55.5Low115 Ų115104.8 Ų104.875%0.74764%0.638SS**PPolyproline II helixtrans-61.6129.6172.2-2233.6000111.8T720P718-T720 PolarHBondContact O-N 3.27Å
719G54.1Low55.6Low62 Ų62106.5 Ų106.564%0.63964%0.635SS**PPolyproline II helixtrans-58.5133.8174.800000111.7I717I717-G719 PolarHBondContact O-N 3.36Å
720T56.5Low55.8Low124 Ų124102.1 Ų102.176%0.76163%0.632SS**PPolyproline II helixtrans-59.2136.5-17850.50000111.4P718 G722P718-T720 PolarHBondContact O-N 3.27Å; T720-G722 PolarHBondContact O-N 3.03Å
721P60.9Low55.7Low123 Ų12396.8 Ų96.880%0.79963%0.628SS**PPolyproline II helixtrans-53.2131.4173.9-26.234.6000111.6M723P721-M723 PolarHBondContact O-N 3.17Å
722G57.9Low55.4Low43 Ų43104.7 Ų104.744%0.44365%0.65SS.*PPolyproline II helixtrans-58.2135.417200000110.1T720T720-G722 PolarHBondContact O-N 3.03Å
723M58.2Low55.7Low166 Ų166101.6 Ų101.682%0.81865%0.646SS**PPolyproline II helixtrans-58.7132.6-177.2-62.5-175.179.600110P721 G725P721-M723 PolarHBondContact O-N 3.17Å; M723-G725 PolarHBondContact O-N 3.39Å
724P65.7Low55.9Low125 Ų125103 Ų10381%0.81266%0.664SS**PPolyproline II helixtrans-53.9131.2175.3-26.334.7000110.7S726P724-S726 PolarHBondContact O-N 3.28Å
725G57.9Low55.6Low42 Ų42109.2 Ų109.243%0.43369%0.687SS.*PPolyproline II helixtrans-54.9138175.400000110.5M723 K727M723-G725 PolarHBondContact O-N 3.39Å; G725-K727 PolarHBondContact O-N 3.29Å; G725-K727 VanDerWaalsContact O-N 3.08Å
726S63.1Low55.9Low83 Ų83107 Ų10758%0.5869%0.689SS**PPolyproline II helixtrans-54.4117.3-177.555.30000110.3P724 G728P724-S726 PolarHBondContact O-N 3.28Å; S726-G728 PolarHBondContact O-N 3.06Å; S726-G728 VanDerWaalsContact O-N 3.09Å
727K63.7Low55.8Low202 Ų202108.5 Ų108.588%0.87871%0.705SS**PPolyproline II helixtrans-54.1118.5174.1-178.6-179.2178.8-178.40108.2G725G725-K727 PolarHBondContact O-N 3.29Å; G725-K727 VanDerWaalsContact O-N 3.08Å
728G57.9Low55.7Low36 Ų36108 Ų10837%0.37171%0.709SS.*PPolyproline II helixtrans-55.6147.9-176.200000112.3S726 A730S726-G728 PolarHBondContact O-N 3.06Å; S726-G728 VanDerWaalsContact O-N 3.09Å; G728-A730 PolarHBondContact O-N 3.27Å
729D58.1Low55.3Low85 Ų85110.5 Ų110.546%0.45571%0.71SS.*  trans-45.8126.8-177.4-67.1-44.9000111.2G731D729-G731 PolarHBondContact O-N 2.85Å; D729-G731 VanDerWaalsContact O-N 3.15Å
730A61.7Low55.1Low99 Ų99110 Ų11082%0.81871%0.706SS**  trans-60.8121.5171.900000108.5G728 F732G728-A730 PolarHBondContact O-N 3.27Å; A730-F732 PolarHBondContact O-N 3.12Å
731G54.3Low54.7Low67 Ų67109.9 Ų109.969%0.69171%0.707SS**  trans-53.8135.5176.100000110.1D729D729-G731 PolarHBondContact O-N 2.85Å; D729-G731 VanDerWaalsContact O-N 3.15Å
732F47.4Very low54.3Low207 Ų207109.1 Ų109.191%0.90870%0.702SS**  trans-45.8126.8-179.1-76.9-87.3000110.2A730 G734A730-F732 PolarHBondContact O-N 3.12Å; F732-G734 PolarHBondContact O-N 3.12Å
733P60.4Low53.4Low119 Ų119110.6 Ų110.677%0.77372%0.717SS**PPolyproline II helixtrans-56.9132.4173.224.9-32.9000108L735P733-L735 PolarHBondContact O-N 3.1Å
734G47.9Very low52.6Low67 Ų67108.8 Ų108.869%0.69172%0.716SS**PPolyproline II helixtrans-53.8135.3177.200000109.6F732 P736F732-G734 PolarHBondContact O-N 3.12Å; G734-P736 WeakPolarHBondContact O-CD 3.05Å; G734-P736 VanDerWaalsContact O-N 3.14Å
735L42.8Very low51.4Low169 Ų169108.9 Ų108.989%0.88572%0.716SS**PPolyproline II helixtrans-47.4124.1175.7-80.6166.6000108.7P733 G737P733-L735 PolarHBondContact O-N 3.1Å; L735-G737 PolarHBondContact O-N 3.3Å; L735-G737 VanDerWaalsContact O-N 3.14Å
736P55.4Low50.3Low116 Ų116110.4 Ų110.475%0.75373%0.732SS**PPolyproline II helixtrans-51.6126174.5-27.335.1000109G734 V738G734-P736 WeakPolarHBondContact O-CD 3.05Å; G734-P736 VanDerWaalsContact O-N 3.14Å; P736-V738 PolarHBondContact O-N 3.28Å
737G47Very low48.9Very low73 Ų73114.3 Ų114.375%0.75375%0.746SS**PPolyproline II helixtrans-54.5125.9177.200000108.7L735 Q739L735-G737 PolarHBondContact O-N 3.3Å; L735-G737 VanDerWaalsContact O-N 3.14Å; G737-Q739 PolarHBondContact O-N 3.49Å
738V43.2Very low47.5Very low145 Ų145109.2 Ų109.288%0.87974%0.735SS**  trans-54114.6-177.2-179.80000107.9P736 G740P736-V738 PolarHBondContact O-N 3.28Å; V738-G740 PolarHBondContact O-N 3.44Å
739Q47.1Very low46.4Very low167 Ų167113.9 Ų113.978%0.7876%0.758SS**  trans-62.1111.8-178.7-173174.721.300107.8G737G737-Q739 PolarHBondContact O-N 3.49Å
740G49.7Very low45.3Very low52 Ų52117.1 Ų117.154%0.53677%0.774SS.*PPolyproline II helixtrans-55.2137.3172.800000109V738V738-G740 PolarHBondContact O-N 3.44Å
741P48.1Very low44.1Very low122 Ų122119.5 Ų119.579%0.79278%0.779SS**PPolyproline II helixtrans-55.3130-176.322.2-33000109.6G743P741-G743 PolarHBondContact O-N 2.63Å
742P52.3Low43.5Very low106 Ų106120.1 Ų120.169%0.68879%0.785SS**PPolyproline II helixtrans-53.8125.8-179.5-28.435.4000111.5T744P742-T744 PolarHBondContact O-N 3.49Å; P742-T744 VanDerWaalsContact O-N 3.09Å
743G39.2Very low43.1Very low75 Ų75114.9 Ų114.977%0.77378%0.78SS**  trans-64111.4176.600000110.2P741 P745P741-G743 PolarHBondContact O-N 2.63Å; G743-P745 VanDerWaalsContact O-CD 3.3Å; G743-P745 WeakPolarHBondContact O-CD 3.16Å
744T41.3Very low42Very low128 Ų128117.3 Ų117.379%0.78579%0.786SS**PPolyproline II helixtrans-68.2119-179.849.30000110.9P742 G746P742-T744 PolarHBondContact O-N 3.49Å; P742-T744 VanDerWaalsContact O-N 3.09Å; T744-G746 PolarHBondContact O-N 3Å
745P41.1Very low42.2Very low126 Ų126119.8 Ų119.882%0.81879%0.79SS**PPolyproline II helixtrans-62.5132.3167.7-18.933.7000109.4G743G743-P745 VanDerWaalsContact O-CD 3.3Å; G743-P745 WeakPolarHBondContact O-CD 3.16Å
746G34Very low42Very low75 Ų75114.9 Ų114.977%0.77378%0.78SS**PPolyproline II helixtrans-73.4161.5-157.300000116.9T744T744-G746 PolarHBondContact O-N 3Å
747L35Very low41.5Very low164 Ų164115.8 Ų115.886%0.85979%0.785SS**  trans-129.6127.6164.5-84169.2000110.5
748C33Very low41.7Very low96 Ų96118.8 Ų118.865%0.64979%0.792SS**  trans47.3102.4152.4-57.70000120.2
749P35.4Very low41.4Very low134 Ų134115.6 Ų115.687%0.8779%0.788SS**  trans-78126.5148.932.5-29.9000110.3
750I34.8Very low40.9Very low152 Ų152112 Ų11278%0.77979%0.787SS**  trans-143.586.617635.9171.9000113.3
751T37.2Very low40.3Very low150 Ų150117.3 Ų117.392%0.9280%0.803SS**  trans-150.4118.5157.349.40000107.7
752G40.9Very low40.2Very low80 Ų80114.8 Ų114.883%0.82580%0.799SS**  cis-168.8177.8-7.800000110.3
753A39.8Very low39.7Very low97 Ų97116.1 Ų116.180%0.80281%0.808SS**  trans-105.9157.1168.900000109
754L36.4Very low39.9Very low170 Ų170118.5 Ų118.589%0.8981%0.81SS**SBendcis-92.9168.122.5-71.4167.7000115.7
755P52.7Low40.5Very low119 Ų119115.9 Ų115.977%0.77381%0.808SS**  trans-123.4176.3-148.643.1-31.7000117.5
756G39.3Very low40.3Very low66 Ų66115.7 Ų115.768%0.6881%0.806SS**  trans-137.1171.4168.200000112.6
757P43.2Very low40.5Very low134 Ų134123.6 Ų123.687%0.8781%0.813SS**  trans-86.9167.3-148.2-14.832.5000118.4
758P52.9Low40.7Very low137 Ų137119 Ų11989%0.8981%0.805SS**  trans-110.6170-166.441.9-35.6000117
759G36.6Very low40.7Very low77 Ų77122.9 Ų122.979%0.79482%0.816SS**  trans136.4151.5163.900000113.8
760A37.2Very low40.6Very low91 Ų91126 Ų12675%0.75282%0.815SS**  cis-161.6151.1-1400000110.6
761D36.9Very low40.9Very low165 Ų165122 Ų12288%0.88281%0.812SS**  trans34.8150.7159.1-56.7-23.8000124.6
762G45.8Very low41Very low69 Ų69123.4 Ų123.471%0.71181%0.808SS**  trans-82-159.1178.300000115
763P41.7Very low40.9Very low134 Ų134125.2 Ų125.287%0.8781%0.805SS**  -148.6-135.775.641.8-18.7000114.1
764P43.7Very low40.7Very low125 Ų125124.1 Ų124.181%0.81280%0.803SS**  trans-116.8168.5-132.928.7-4.5000116.4
765G52Low40.7Very low72 Ų72125.1 Ų125.174%0.74280%0.801SS**  trans-116.2167.5177.400000114.9
766P38.6Very low40.2Very low122 Ų122124.7 Ų124.779%0.79280%0.797SS**  trans-138.6144.8162.337.6-22.2000116.3
767R36.8Very low40.2Very low242 Ų242125.3 Ų125.391%0.91380%0.804SS**  trans39.6118.2133.5-161.4-178.3-162.9171.34.2117.8
768G39.2Very low39.8Very low66 Ų66127 Ų12768%0.6880%0.804SS**  cis109.2143.120.900000111.7
769M34.1Very low38.9Very low178 Ų178130.6 Ų130.688%0.87781%0.806SS**  trans178139.4143.9-101.11757500115.6
770K33.6Very low38.9Very low199 Ų199130.2 Ų130.287%0.86580%0.802SS**  trans28.9131147.6-154.8179.2-176.8-173.30121.4
771G39.6Very low38.7Very low68 Ų68132.8 Ų132.870%0.70180%0.799SS**  trans-100.7175.816800000115.1
772E39.2Very low38.7Very low181 Ų181133.9 Ų133.985%0.84680%0.798SS**  trans-112.7153.5-176.7-63.9-170.5118.900113.6
773P40.5Very low38.4Very low118 Ų118134.5 Ų134.577%0.76681%0.805SS**PPolyproline II helixtrans-74.7164.1175.7-14.130.9000114
774G34.8Very low38.2Very low73 Ų73132.9 Ų132.975%0.75380%0.803SS**PPolyproline II helixtrans-74.4145.9175.100000113.8
775F36.1Very low38.2Very low192 Ų192133.3 Ų133.384%0.84281%0.806SS**PPolyproline II helixtrans-87.8126.9175.8-78.7-91.4000112.3
776P41.8Very low37.8Very low109 Ų109133.6 Ų133.671%0.70881%0.809SS**PPolyproline II helixtrans-65.9152.4158-15.931.2000111
777G40.3Very low37.8Very low80 Ų80136 Ų13683%0.82581%0.813SS**PPolyproline II helixtrans-74.5136.8176.900000113.1
778I34.4Very low37.8Very low170 Ų170133 Ų13387%0.87282%0.815SS**  trans-144162.9173.136.7172.4000110.8
779K33.5Very low38.1Very low211 Ų211133.3 Ų133.392%0.91782%0.818SS**  trans-136.6128.7-171.6175.4-169.1173.9-170.10110.4
780G38.1Very low38.6Very low69 Ų69133.1 Ų133.171%0.71182%0.82SS**  trans87.3156.6177.900000113.9
781E31.6Very low39.3Very low146 Ų146132 Ų13268%0.68282%0.821SS**  cis-143.3-160.7-2.9-70.4-160.3114.200111.6
782Q38.1Very low39.6Very low187 Ų187132 Ų13287%0.87482%0.822SS**  trans-73.8159.5-169.8-61.2170.3-90.700115.3
783G39.4Very low39.7Very low83 Ų83132.6 Ų132.686%0.85683%0.827SS**  trans171116.9159.500000115.8
784A36.4Very low39.6Very low99 Ų99137 Ų13782%0.81883%0.834SS**  trans-146.8168.7167.700000108.2
785P44.8Very low40.1Very low135 Ų135136.2 Ų136.288%0.87783%0.826SS**  cis-130.6-1722.243.1-27.3000114.1
786G42.9Very low40.1Very low78 Ų78135.4 Ų135.480%0.80483%0.83SS**  trans177.1118.6163.300000112.3
787L38.1Very low39.9Very low171 Ų171135 Ų13590%0.89584%0.835SS**  trans-154.2127.2-170.9-171.7154.5000111.9
788L38.3Very low39.9Very low179 Ų179135 Ų13594%0.93784%0.835SS**  trans-168145.3170.9-112.3168.4000112.3
789G45.6Very low40Very low73 Ų73131.6 Ų131.675%0.75383%0.833SS**  trans110.8101.716100000117.5
790L44Very low40.3Very low174 Ų174128 Ų12891%0.91183%0.831SS**  trans-160.6126.6172.9-124.5168.2000110.9
791I47.1Very low40.1Very low175 Ų175128.1 Ų128.190%0.89783%0.833SS**  trans-147.7139.1-178.6-66.6-175.7000111.6
792G46.5Very low40.4Very low69 Ų69129.2 Ų129.271%0.71184%0.842SS**  trans127.398.1155.900000116.9
793M41.8Very low40.4Very low193 Ų193126.2 Ų126.295%0.95184%0.839SS**  trans-147.8150.4176.2-72.2-178.967.800113.3
794K37.8Very low40.5Very low212 Ų212125.7 Ų125.792%0.92283%0.833SS**  trans-162.1135158.4-171.1175.5-178.5178.90110.3
795G45.3Very low40.2Very low56 Ų56128.8 Ų128.858%0.57784%0.836SS**  cis153122.8-12.100000113.3
796N36.6Very low39.6Very low175 Ų175128 Ų12894%0.93683%0.83SS**  trans164.3132.8155.2-89.4-8.3000108.6
797A37.3Very low39.2Very low99 Ų99128 Ų12882%0.81883%0.831SS**  cis-159.9153.7-25.800000106.6
798G40.6Very low39.1Very low80 Ų80125.2 Ų125.283%0.82583%0.826SS**  cis142.9101.7-3.700000111.6
799A36.9Very low39.3Very low100 Ų100122.8 Ų122.883%0.82682%0.82SS**  trans-144.6137.4167.200000109.8
800P39.5Very low38.5Very low134 Ų134122.7 Ų122.787%0.8782%0.819SS**  trans-100.5167-162.71.821.7000113.8
801G33.7Very low37.8Very low72 Ų72122.9 Ų122.974%0.74282%0.82SS**  trans-83.7178.5173.800000114.3
802L37.2Very low37.4Very low170 Ų170123.4 Ų123.489%0.8982%0.821SS**  trans-127.7155.9170.8-79.5172.6000111
803P39Very low36.8Very low123 Ų123122.8 Ų122.880%0.79982%0.815SS**  trans-82.3164.4-172.8-7.927.1000113.2
804G41.8Very low36.5Very low72 Ų72121.5 Ų121.574%0.74281%0.807SS**  trans-88.3135.9167.400000112.4
805L28.7Very low36.5Very low165 Ų165120 Ų12086%0.86480%0.8SS**  trans173.8163.1165.5-101.7166.9000107.7
806P34Very low36.4Very low117 Ų117120.5 Ų120.576%0.7681%0.805SS**  -101.5-175.2-5721.5-0.9000110.6
807G33.3Very low36.2Very low79 Ų79117.2 Ų117.281%0.81480%0.802SS**PPolyproline II helixtrans-68.9137.117900000114.2
808S35.6Very low36.4Very low113 Ų113124.4 Ų124.479%0.7981%0.808SS**PPolyproline II helixtrans-78.4149166.451.80000111.5
809P42.2Very low36.5Very low127 Ų127123.2 Ų123.283%0.82580%0.796SS**PPolyproline II helixtrans-69.7166.6-175.1-1933.2000114.4
810G29.4Very low37Very low71 Ų71123.2 Ų123.273%0.73280%0.796SS**  trans-92.8177.1168.400000113.9
811L30.4Very low36.8Very low179 Ų179123.1 Ų123.194%0.93780%0.795SS**  trans6291.1160.1-62.8174.7000119.2
812M37.7Very low37Very low186 Ų186123.4 Ų123.492%0.91680%0.798SS**  -136.7137.9119.4-134.1169.665.600105.8
813G34.8Very low37.4Very low56 Ų56120 Ų12058%0.57780%0.795SS**  cis90.9114.329.700000107.9
814E34.7Very low37.4Very low166 Ų166120.6 Ų120.678%0.77680%0.799SS**  cis-130.7-172.59.1-50.6-173.4122.600109.8
815K38.3Very low37.3Very low180 Ų180120.9 Ų120.978%0.78380%0.801SS**  cis-159.3164.221.6-150174-166.897.60111.2
816G43Very low37.8Very low66 Ų66121.6 Ų121.668%0.6881%0.805SS**  trans-61.3154.1-170.700000116.1
817A31.3Very low37.9Very low106 Ų106125.1 Ų125.188%0.87681%0.813SS**  cis88.4128.238.500000114.7
818R43Very low38.3Very low251 Ų251124.4 Ų124.495%0.94781%0.806SS**  trans168.6117.1134.8-175.9171.3-167.8166.12.7113.8
819G41.7Very low38.9Very low55 Ų55125 Ų12557%0.56781%0.808SS**  trans58.2120.2142.700000122
820A46.8Very low38.6Very low100 Ų100124.8 Ų124.883%0.82681%0.809SS**  trans-74.2147.5150.800000110.1
821P37.1Very low39.3Very low132 Ų132124.3 Ų124.386%0.85780%0.804SS**  -150.7163.2105.538.7-23000115.6
822G37.6Very low39.5Very low78 Ų78125.7 Ų125.780%0.80480%0.803SS**  trans117.9113.6154.500000117.5
823A44.7Very low39.6Very low99 Ų99122.5 Ų122.582%0.81879%0.789SS**  trans-91.7162147.900000107.9
824P40.4Very low40Very low135 Ų135123.2 Ų123.288%0.87780%0.797SS**  cis-139.5-176.92742.5-24.1000116.3
825G38.5Very low40Very low77 Ų77123.7 Ų123.779%0.79480%0.804SS**  trans172.7130.3166.400000112.8
826L39.7Very low40.7Very low180 Ų180121 Ų12194%0.94281%0.805SS**  trans-128.471.1-170.2-138.6179.6000113
827M35.4Very low40.6Very low191 Ų191121.4 Ų121.494%0.94181%0.808SS**  trans-171.8142.2165.1-147.5163.966.400108
828G42.1Very low41.2Very low64 Ų64124.8 Ų124.866%0.6681%0.811SS**  cis-161179.3-700000109.5
829P48.4Very low41Very low127 Ų127119 Ų11983%0.82581%0.806SS**  trans-98.5123.7-162.134.7-33.6000116.6
830S35.2Very low40.9Very low121 Ų121120.5 Ų120.585%0.84682%0.821SS**  trans177153.6148-83.10000110.2
831G45.5Very low40.7Very low62 Ų62118.9 Ų118.964%0.63981%0.814SS**  cis-157.5-160.42.900000110.9
832K34.2Very low40.7Very low208 Ų208121.1 Ų121.190%0.90482%0.817SS**  trans-128128.5-176.6-48.7172.8-169.4173.30110.6
833D39.1Very low40.6Very low118 Ų118120.5 Ų120.563%0.63181%0.811SS**  trans-123.4144.1168.3-56-63.4000107.7
834G44Very low40.3Very low72 Ų72123.6 Ų123.674%0.74281%0.808SS**  cis-177.5153.1-8.100000109.7
835L34.8Very low40Very low175 Ų175125.9 Ų125.992%0.91680%0.804SS**PPolyproline II helixtrans-95.8133.6173.5-86.4167.5000110.4
836P51.6Low40Very low125 Ų125125.7 Ų125.781%0.81280%0.802SS**PPolyproline II helixtrans-60.9147.1169.7-23.434.9000112.5
837G41.8Very low39.8Very low73 Ų73126.4 Ų126.475%0.75380%0.801SS**PPolyproline II helixtrans-93.8171.1-167.700000116.9
838L44.2Very low40.2Very low178 Ų178123.4 Ų123.493%0.93280%0.796SS**PPolyproline II helixtrans-60.1150.1167.4-65.9156.9000110.9
839P38.6Very low39.8Very low130 Ų130123.5 Ų123.584%0.84480%0.797SS**  -148.6167.593.739.3-23.6000115.7
840G39.6Very low39.1Very low85 Ų85123.6 Ų123.688%0.87680%0.795SS**  trans118.8120.8164.900000114.4
841G43.1Very low39.2Very low67 Ų67123.8 Ų123.869%0.69180%0.796SS**  trans-133.6-164.8173.700000111.7
842I35.9Very low38.7Very low179 Ų179128.1 Ų128.192%0.91880%0.803SS**  trans78132.4-169.3-49.2164.6000112.2
843G36Very low39.1Very low64 Ų64124.4 Ų124.466%0.6680%0.8SS**  cis135.8123.2-14.200000115.4
844E38.1Very low38.9Very low165 Ų165122.2 Ų122.277%0.77181%0.806SS**  trans-156.2160.2160.7-83.2-148.5117.500108.3
845K34.2Very low38.4Very low183 Ų183127 Ų12780%0.79681%0.813SS**  cis165.8137-20.7177.7179.8-176.9-176.10107.2
846G38.7Very low38.6Very low73 Ų73124.1 Ų124.175%0.75381%0.805SS**  cis-176.8179.1-5.300000111.7
847E35.4Very low38.6Very low194 Ų194121.5 Ų121.591%0.90780%0.801SS**  trans-96.6-165170.8-54.2172.4111.200109.7
848P42.8Very low38.6Very low128 Ų128124 Ų12483%0.83180%0.803SS**  cis-123.5-162.4-14.143.6-26.9000111.4
849G35.2Very low38.8Very low67 Ų67121.1 Ų121.169%0.69180%0.796SS**  cis150.3-179.2-11.800000114
850V32.3Very low38.7Very low129 Ų129118.5 Ų118.578%0.78279%0.792SS**  trans73.3116.7166.9-168.60000120.5
851S38.3Very low38.5Very low125 Ų125124.6 Ų124.687%0.87480%0.795SS**  trans-160.7154.9145.9-79.50000110.1
852I34.6Very low38.3Very low153 Ų153126.1 Ų126.179%0.78580%0.801SS**  trans-125.9134.1-164-71.4168.7000108.1
853P42.5Very low38.4Very low130 Ų130121.2 Ų121.284%0.84479%0.794SS**  -147.7172.180.539.1-19.7000116.8
854G35.2Very low38.3Very low72 Ų72127.4 Ų127.474%0.74281%0.808SS**  trans-136.9167.6174.900000113.4
855L32.8Very low38.1Very low173 Ų173129.6 Ų129.691%0.90682%0.815SS**  trans-142.5160.6171.2-89.5169.1000108.3
856P40.5Very low38.4Very low114 Ų114124.1 Ų124.174%0.7481%0.811SS**PPolyproline II helixtrans-100.1158.8-135.8-5.226000115.9
857G51.8Low38.2Very low70 Ų70130 Ų13072%0.72282%0.819SS**PPolyproline II helixtrans-78.1133.4167.700000112.8
858P41.8Very low38.2Very low124 Ų124132.1 Ų132.181%0.80582%0.818SS**PPolyproline II helixtrans-67.8158.9167.7-20.234.1000112.9
859P47.5Very low37.8Very low119 Ų119128.6 Ų128.677%0.77381%0.805SS**PPolyproline II helixtrans-92.7154.6-151.9-8.728.5000115.7
860G35.6Very low37.5Very low74 Ų74134.8 Ų134.876%0.76381%0.813SS**PPolyproline II helixtrans-76.5151.9157.800000111.6
861F35.3Very low37.8Very low214 Ų214136.6 Ų136.694%0.93982%0.818SS**PPolyproline II helixtrans-81146.2174.2-85.9-86.9000112.1
862A40Very low37.8Very low99 Ų99134 Ų13482%0.81881%0.811SS**PPolyproline II helixtrans-78.2150.8-159.100000114.4
863G37.7Very low38.3Very low75 Ų75135.8 Ų135.877%0.77382%0.816SS**PPolyproline II helixtrans-76.4158.2176.500000113.6
864M33.8Very low38.1Very low194 Ų194136 Ų13696%0.95682%0.818SS**PPolyproline II helixtrans-69.3139.5168.1-70.2-177.869.300110.7G866M864-G866 PolarHBondContact O-N 2.7Å
865K34.4Very low38.2Very low212 Ų212135.6 Ų135.692%0.92281%0.814SS**PPolyproline II helixtrans-57117.1178.9179.1-176.5177.6-175.10110.9
866G39.5Very low38.8Very low68 Ų68136 Ų13670%0.70182%0.816SS**PPolyproline II helixtrans-88.4157.1179.600000114.1M864M864-G866 PolarHBondContact O-N 2.7Å
867E35.9Very low38.8Very low197 Ų197136.4 Ų136.492%0.92182%0.818SS**  trans-99.3106.9168.2-65.5-160.8132.400111.3
868R34Very low38Very low238 Ų238135.9 Ų135.990%0.89881%0.813SS**  trans-9.6126.1137.5-177.4-161.6-48.6-176.85.1114.2
869G34.5Very low38.5Very low53 Ų53136.6 Ų136.655%0.54682%0.818SS.*  cis136148.3-4.500000112.6
870F30.2Very low38Very low197 Ų197137.1 Ų137.186%0.86482%0.821SS**  trans69.9154.7179.3-52.2-77.8000113.7
871D37.9Very low38Very low167 Ų167137 Ų13789%0.89382%0.82SS**  cis-105.8176.617.2-73.1-51.8000116.7
872G38.7Very low38.4Very low70 Ų70136 Ų13672%0.72281%0.81SS**  trans-101.8177.7-162.700000117.8
873Q43.9Very low38.1Very low192 Ų192140.1 Ų140.190%0.89782%0.815SS**  trans-64.7147.2177.4-58.5170.3-6.900111.9
874P38.2Very low38.1Very low134 Ų134140 Ų14087%0.8781%0.814SS**  -142.6158.997.537.4-24.4000113.7
875G37.5Very low38.4Very low64 Ų64137.7 Ų137.766%0.6681%0.81SS**  cis178.6162.1-4.100000110.9P877G875-P877 WeakPolarHBondContact O-CD 3.33Å
876L46.1Very low38.9Very low181 Ų181133.3 Ų133.395%0.94880%0.803SS**  trans-95.6115.7179.4-81.9164.3000112.4
877P39.5Very low38.9Very low122 Ų122133.9 Ų133.979%0.79281%0.809SS**  trans-131.4152.8135.122.1-3.2000110.6G875G875-P877 WeakPolarHBondContact O-CD 3.33Å
878G35.4Very low39.1Very low59 Ų59132.3 Ų132.361%0.60881%0.805SS**  cis125.3111.620.500000108P880G878-P880 WeakPolarHBondContact O-CD 3.49Å
879P51.9Low39.1Very low140 Ų140132.2 Ų132.291%0.90981%0.805SS**  trans-95.6118.9-162.833.9-34.3000115.9
880P37.4Very low39.1Very low129 Ų129132.6 Ų132.684%0.83881%0.809SS**  trans-128.7167.6145.538.8-28.7000110.8G878G878-P880 WeakPolarHBondContact O-CD 3.49Å
881G35.9Very low39.1Very low73 Ų73131.3 Ų131.375%0.75381%0.806SS**  cis176.8161.2-3.100000107.7
882R44.7Very low38.8Very low192 Ų192133 Ų13373%0.72581%0.805SS**  trans-107.3161.8-171.9-142.2-179.3-174.8-154.61.7114.7
883M33.4Very low38.9Very low186 Ų186133.4 Ų133.492%0.91681%0.809SS**  trans84.9148.4-178.3-54.2-166.7-66.300115.3
884G37.6Very low38.3Very low73 Ų73133.1 Ų133.175%0.75381%0.808SS**  cis-145.1-16710.100000116.1
885V40.7Very low38.6Very low145 Ų145132.5 Ų132.588%0.87980%0.804SS**  trans-140.7162.3-178.2-112.20000107.4
886P43.7Very low38.7Very low120 Ų120132.4 Ų132.478%0.77980%0.802SS**  cis-130.6175.3239.7-23000115.3
887G39.3Very low38Very low79 Ų79131.2 Ų131.281%0.81480%0.796SS**  trans-163110.116500000110.4
888I40.6Very low37.9Very low164 Ų164132.4 Ų132.484%0.84180%0.801SS**  trans-122.3161.3-173.448.9170.4000111.8
889R34.7Very low38.1Very low236 Ų236132.6 Ų132.689%0.89180%0.802SS**  trans90.4131.9177.3-161.8-178-167.5167.63.9114.6
890G34.3Very low37.8Very low62 Ų62134.2 Ų134.264%0.63980%0.803SS**  cis162.8168.2-8.600000113.1
891E30.2Very low37.9Very low170 Ų170134.4 Ų134.479%0.79480%0.804SS**  trans67.4147171-65.3168.6-134.700115.3
892K31.1Very low38Very low203 Ų203134.4 Ų134.488%0.88380%0.804SS**  cis-166.7139.7-6.1154.9-176177.5-178.20108.3
893G41Very low37.8Very low77 Ų77130.6 Ų130.679%0.79480%0.802SS**  trans169.476.9176.400000118.3
894E30.7Very low38.2Very low187 Ų187124.9 Ų124.987%0.87478%0.779SS**  trans-80.6172.1152-68.6-179.3125.500109.4
895P45Very low38.9Very low121 Ų121122.9 Ų122.979%0.78676%0.758SS**  cis-133.3-173.616.641.5-21.9000114.5L897P895-L897 HydrophobicContact CB-CD1 4.36Å
896G39.7Very low39Very low61 Ų61119.6 Ų119.663%0.62975%0.746SS**  cis-159157.11.900000112.3
897L31.5Very low39Very low156 Ų156118.3 Ų118.382%0.81774%0.738SS**  73.9128.184.7-65.2166.9000111.9P895P895-L897 HydrophobicContact CB-CD1 4.36Å
898V37.7Very low39.4Very low148 Ų148118.2 Ų118.290%0.89774%0.737SS**  cis-140.1147.218.4179.80000108.9
899G38Very low39.1Very low62 Ų62119 Ų11964%0.63974%0.739SS**  cis173.1151-6.100000111.3
900L46.6Very low39.1Very low175 Ų175117 Ų11792%0.91674%0.737SS**  trans-114.6126.4174.3-78.7166.2000109.6
901P38.9Very low39.3Very low133 Ų133117.1 Ų117.186%0.86474%0.738SS**  trans-144.7156.8130.137.1-23.7000112.8
902G39.2Very low39.7Very low73 Ų73116.8 Ų116.875%0.75374%0.742SS**  trans160.645172.800000119
903T39.4Very low40Very low112 Ų112111.4 Ų111.469%0.68774%0.735SS**  trans-85162.9145.453.80000108.5
904P43.2Very low39.9Very low65 Ų65109.9 Ų109.942%0.42272%0.72SS.*  cis-99.1-112.3-25.323-1000108.1C566 Y568C566-P904 HydrophobicContact CB-CB 3.96Å; Y568-P904 HydrophobicContact CD2-CB 4.43Å; Y568-P904 HydrophobicContact CD2-CG 4.24Å; Y568-P904 HydrophobicContact CG-CG 4.47Å
905G51.9Low40.3Very low32 Ų32106.7 Ų106.733%0.3372%0.715SS.*  trans-179.7-178.8-173.300000114.4C566C566-G905 PolarHBondContact SG-O 3.39Å
906A42.3Very low40.1Very low76 Ų76104.7 Ų104.763%0.62871%0.709SS**  trans-143162.5-170.900000112.8
907P44.2Very low39.9Very low93 Ų93104.1 Ų104.160%0.60470%0.703SS**  trans-66.3155.4172-16.931.9000112.3
908G46.4Very low40.1Very low76 Ų76102 Ų10278%0.78470%0.702SS**  trans-91.1160.5-175.500000114.7
909M35Very low40.2Very low182 Ų182100.7 Ų100.790%0.89770%0.696SS**  trans-131.6132.3158.3-76.2-169.770.900109.9
910K34.1Very low40Very low192 Ų192101.2 Ų101.284%0.83570%0.701SS**  trans42.8118.6153.7-152.5177.8-176.3-1710118.6
911G39.8Very low39.4Very low65 Ų65102 Ų10267%0.6770%0.697SS**  trans-91.6164.9171.400000113.9
912D38.4Very low39.4Very low164 Ų164102.7 Ų102.788%0.87769%0.694SS**  trans-135.7170162.8-84.8-57.4000108.7
913A37.2Very low39.2Very low90 Ų90102.8 Ų102.874%0.74470%0.695SS**  trans-89.5136.1-154.600000116.8
914G38.9Very low39.4Very low45 Ų45103 Ų10346%0.46470%0.698SS.*  trans78.3122.9134.900000120.1
915P40Very low39.4Very low119 Ų119105.4 Ų105.477%0.77371%0.714SS**PPolyproline II helixtrans-70.8133.7145.332-30.5000109.2
916A40.4Very low38.7Very low79 Ų79107.8 Ų107.865%0.65374%0.738SS**PPolyproline II helixtrans-65.2144.2173.400000111C154C154-A916 WeakPolarHBondContact O-CA 3.32Å
917G34.9Very low38.3Very low50 Ų50111.9 Ų111.952%0.51575%0.749SS.*PPolyproline II helixtrans-62.4138.5179.100000112.5C154C154-G917 PolarHBondContact O-N 3.41Å
918S35.8Very low38.1Very low112 Ų112113.1 Ų113.178%0.78376%0.757SS**PPolyproline II helixtrans-60.5128.916951.10000109.9G920S918-G920 PolarHBondContact O-N 3.41Å
919P40.4Very low37.7Very low119 Ų119112.7 Ų112.777%0.77375%0.752SS**PPolyproline II helixtrans-54.2137.6-177-29.135.8000113.5
920G33.8Very low38.2Very low73 Ų73110.3 Ų110.375%0.75375%0.751SS**PPolyproline II helixtrans-75.8151.3174.600000112.4S918S918-G920 PolarHBondContact O-N 3.41Å
921F33.5Very low38.3Very low191 Ų191108 Ų10884%0.83875%0.752SS**  trans-130123161.1-85.6-80.1000109.6
922D38.5Very low38.1Very low149 Ų149107 Ų10780%0.79774%0.742SS**  trans9.3111.8163.8-52.3-31.6000118.6P924D922-P924 VanDerWaalsContact O-CD 3.32Å; D922-P924 WeakPolarHBondContact O-CD 3.27Å
923G36.1Very low38.4Very low74 Ų74103.5 Ų103.576%0.76374%0.735SS**  trans-77.7115.5154.800000110.2
924P42.2Very low38.5Very low118 Ų118105.3 Ų105.377%0.76674%0.74SS**PPolyproline II helixtrans-66.7148.6171.628-33.6000110.6D922D922-P924 VanDerWaalsContact O-CD 3.32Å; D922-P924 WeakPolarHBondContact O-CD 3.27Å
925P44.1Very low38.2Very low114 Ų114107.1 Ų107.174%0.7476%0.758SS**PPolyproline II helixtrans-79.1154.2-151.8-18.233.8000115.1L927P925-L927 PolarHBondContact O-N 2.97Å
926G36.8Very low38.1Very low82 Ų82110.2 Ų110.285%0.84577%0.767SS**PPolyproline II helixtrans-60.9124.4165.200000111.1
927L33.2Very low37.9Very low162 Ų162111.5 Ų111.585%0.84878%0.778SS**PPolyproline II helixtrans-95.1153.1174.3-73.8172000111P925P925-L927 PolarHBondContact O-N 2.97Å
928P40.2Very low37.9Very low119 Ų119112.5 Ų112.577%0.77379%0.789SS**PPolyproline II helixtrans-80.6163.8-146-18.834.7000115.8
929G37.8Very low37.7Very low67 Ų67116.9 Ų116.969%0.69180%0.799SS**PPolyproline II helixtrans-61141.8-179.900000113.7
930P46Very low37.4Very low133 Ų133121.4 Ų121.486%0.86481%0.807SS**PPolyproline II helixtrans-72.4137.2-177.429.1-34.7000112.6
931V35.5Very low37.6Very low144 Ų144121.5 Ų121.587%0.87381%0.808SS**PPolyproline II helixtrans-74.8152.3171.6175.90000110.2
932G36.3Very low37.9Very low43 Ų43122 Ų12244%0.44381%0.812SS.*PPolyproline II helixtrans-61.4153.2-177.600000115.1
933A45.2Very low37.8Very low90 Ų90119.8 Ų119.874%0.74482%0.815SS**PPolyproline II helixtrans-72.6157.3-175.800000114.3
934P38.7Very low37.8Very low129 Ų129119.4 Ų119.484%0.83881%0.811SS**  trans-136.1150.8135.737-25.8000114.1
935G33.7Very low37.7Very low83 Ų83122.1 Ų122.186%0.85682%0.818SS**  trans99.8104.4156.300000117.4
936L37Very low37.4Very low183 Ų183122.5 Ų122.596%0.95882%0.821SS**  trans-102.7118.4164.3-100.8173.3000110.6
937A35.3Very low37.3Very low106 Ų106122 Ų12288%0.87682%0.815SS**  trans169.7134.8143.500000109.2
938G35.3Very low37.1Very low72 Ų72123.2 Ų123.274%0.74282%0.819SS**  cis166.4150-6.300000109.9
939M32.9Very low37Very low204 Ų204123.1 Ų123.1100%1.00582%0.818SS**  trans-135.2152.6174.9-67.8-167.377.200111.6
940K34.3Very low36.8Very low213 Ų213123.6 Ų123.693%0.92682%0.823SS**  trans-128.1135.3-175171.9-171.4174.6-175.30109.2
941G37.1Very low36.1Very low75 Ų75121.5 Ų121.577%0.77382%0.817SS**  trans162.695.2170.200000114.6
942E39.3Very low36Very low201 Ų201121.6 Ų121.694%0.93982%0.819SS**  trans-86.3168.6157.4-56.5169118.600108
943A36.4Very low35.7Very low104 Ų104123 Ų12386%0.8683%0.833SS**  cis-152.7-176.913.400000108.5
944G36.2Very low35Very low65 Ų65127.5 Ų127.567%0.6784%0.843SS**  cis152.3167.2-6.200000112.6
945L41.4Very low34.8Very low175 Ų175131.3 Ų131.392%0.91685%0.847SS**  trans69167.5168.7-60.8173.1000116.3
946P36.5Very low35Very low123 Ų123130.3 Ų130.380%0.79984%0.836SS**  cis-135.6169.18.542.7-25.9000118.7
947G34.1Very low34.7Very low71 Ų71130.8 Ų130.873%0.73283%0.834SS**  trans89.9155152.600000118.2
948M29.5Very low34.8Very low188 Ų188132 Ų13293%0.92683%0.833SS**  cis-150.7168.7-12.4-98-158.38500110.6
949P38.3Very low34.9Very low116 Ų116131.8 Ų131.875%0.75383%0.831SS**  trans-128.7173.6-142.943.7-31.6000118.2
950G34.3Very low34.9Very low77 Ų77130 Ų13079%0.79482%0.823SS**  trans111.3148.9152.100000116.3
951A31.7Very low35.1Very low90 Ų90125.6 Ų125.674%0.74482%0.817SS**  cis-161159.4-11.300000111.9
952T32.4Very low35.2Very low146 Ų146125.5 Ų125.590%0.89682%0.815SS**  trans31.3133.715152.90000121.2
953G30.8Very low35.2Very low73 Ų73124.1 Ų124.175%0.75381%0.813SS**  cis-162-167.84.700000110.2
954L30.4Very low35.3Very low183 Ų183125.1 Ų125.196%0.95881%0.811SS**  cis-125.9149.117.8-73163.3000112.9
955K33.3Very low35.7Very low210 Ų210125.6 Ų125.691%0.91382%0.816SS**  trans-101.6144166.2169.3-172.3178.7-1780106.9
956G38.3Very low35.3Very low61 Ų61122.2 Ų122.263%0.62981%0.813SS**  cis159.3145.33.100000107.2
957E30.9Very low35.2Very low193 Ų193126.5 Ų126.590%0.90282%0.82SS**PPolyproline II helixtrans-61137.7-168-65.2-176.4123.900113.4G959E957-G959 PolarHBondContact O-N 2.85Å
958P38.1Very low35.3Very low132 Ų132126.3 Ų126.386%0.85782%0.818SS**PPolyproline II helixtrans-60.4129174.5-24.635.2000112.5
959G37.1Very low35.4Very low68 Ų68122 Ų12270%0.70181%0.811SS**PPolyproline II helixtrans-70.8158.4-172.600000115.4E957E957-G959 PolarHBondContact O-N 2.85Å
960I32.3Very low35.5Very low165 Ų165122.2 Ų122.285%0.84681%0.813SS**PPolyproline II helixtrans-57.7126.4175.2-57166.7000109.9G962I960-G962 PolarHBondContact O-N 2.9Å
961P39Very low35.6Very low122 Ų122121.9 Ų121.979%0.79281%0.81SS**PPolyproline II helixtrans-60.2128.3172.5-24.935.3000111.9
962G39.8Very low35.7Very low72 Ų72126.1 Ų126.174%0.74282%0.819SS**PPolyproline II helixtrans-67.3147.3-175.400000114.2I960I960-G962 PolarHBondContact O-N 2.9Å
963L37.8Very low35.8Very low172 Ų172125.2 Ų125.290%0.90181%0.813SS**PPolyproline II helixtrans-62.8138.1169.5-74162000110.4G965L963-G965 PolarHBondContact O-N 3.22Å
964P39.2Very low36.3Very low125 Ų125124.1 Ų124.181%0.81280%0.802SS**PPolyproline II helixtrans-59.6129.3175-24.434.6000112
965G43.8Very low36.7Very low75 Ų75121.2 Ų121.277%0.77379%0.794SS**PPolyproline II helixtrans-68139.9179.600000112.8L963 K967L963-G965 PolarHBondContact O-N 3.22Å; G965-K967 PolarHBondContact O-N 3.45Å
966A33.5Very low37.3Very low104 Ų104117.2 Ų117.286%0.8679%0.79SS**PPolyproline II helixtrans-66.6126.4172.300000110.4G968A966-G968 PolarHBondContact O-N 3.46Å
967K33.7Very low37.2Very low214 Ų214117.5 Ų117.593%0.9379%0.792SS**PPolyproline II helixtrans-69.5127168.5-166.5174.3-178.1-178.90107.9G965G965-K967 PolarHBondContact O-N 3.45Å
968G37.7Very low37.3Very low67 Ų67116 Ų11669%0.69179%0.791SS**PPolyproline II helixtrans-64.1149.4-16100000115.3A966A966-G968 PolarHBondContact O-N 3.46Å
969A31.5Very low37.3Very low96 Ų96116.8 Ų116.879%0.79379%0.793SS**PPolyproline II helixtrans-64.6136.9157.300000109.1
970P40.9Very low37.2Very low122 Ų122116.5 Ų116.579%0.79279%0.79SS**PPolyproline II helixtrans-54.8148.9164.2-23.734.9000110.6L972P970-L972 PolarHBondContact O-N 2.85Å
971G35.5Very low37.3Very low70 Ų70114 Ų11472%0.72279%0.788SS**PPolyproline II helixtrans-59.9126.1-170.100000113.2T973G971-T973 PolarHBondContact O-N 2.83Å
972L33.3Very low37.3Very low178 Ų178114.1 Ų114.193%0.93279%0.788SS**  trans-70.779.8154.9-77.2172.9000108.5P970 G974P970-L972 PolarHBondContact O-N 2.85Å; L972-G974 PolarHBondContact O-N 3.39Å
973T36Very low37Very low127 Ų127113.3 Ų113.378%0.77978%0.78SS**  trans-44.3136145.9-56.10000107.5G971G971-T973 PolarHBondContact O-N 2.83Å
974G40.6Very low36.7Very low50 Ų50116 Ų11652%0.51578%0.779SS.*PPolyproline II helixtrans-55158.4-171.800000113.2L972L972-G974 PolarHBondContact O-N 3.39Å
975P39Very low36.5Very low122 Ų122114 Ų11479%0.79277%0.774SS**PPolyproline II helixtrans-51.4136.817524.1-34.2000109.4G977P975-G977 PolarHBondContact O-N 2.86Å
976P45.2Very low36.4Very low126 Ų126113 Ų11382%0.81876%0.763SS**PPolyproline II helixtrans-50.7128.1171.7-26.134.7000109.4
977G36.2Very low36.3Very low67 Ų67114.4 Ų114.469%0.69176%0.756SS**PPolyproline II helixtrans-59.1146.9172.800000110P975 T979P975-G977 PolarHBondContact O-N 2.86Å; G977-T979 PolarHBondContact O-N 3.26Å
978D33.6Very low36.4Very low163 Ų163111.4 Ų111.487%0.87275%0.75SS**PPolyproline II helixtrans-49.2133.2-177-66.5-62.4000111.4G980D978-G980 PolarHBondContact O-N 3.01Å
979T36.7Very low36.5Very low148 Ų148112 Ų11291%0.90876%0.756SS**  trans-65.9100.4174.5-64.20000108G977G977-T979 PolarHBondContact O-N 3.26Å
980G36.4Very low36.5Very low62 Ų62115.3 Ų115.364%0.63976%0.759SS**PPolyproline II helixtrans-61.5141-168.800000113.4D978D978-G980 PolarHBondContact O-N 3.01Å
981S34.2Very low36.2Very low113 Ų113119.7 Ų119.779%0.7977%0.765SS**PPolyproline II helixtrans-55.7137.3160.352.10000109.9
982P38.4Very low36.3Very low123 Ų123119.9 Ų119.980%0.79977%0.767SS**PPolyproline II helixtrans-55.6159.1-172.9-29.436.2000116.7
983G34.8Very low36.8Very low55 Ų55120.7 Ų120.757%0.56777%0.766SS**  trans-71.9-164.417600000114.1
984Y30.2Very low37Very low228 Ų228120.9 Ų120.989%0.89477%0.77SS**  cis-162.7168.817.8-66.3-92.6000108.9
985A34.6Very low36.6Very low85 Ų85121.9 Ų121.970%0.70278%0.78SS**  cis-174165.4-29.100000108.2
986G41.9Very low36.9Very low53 Ų53124.9 Ų124.955%0.54679%0.788SS.*  trans-178.3142.4174.600000113.4
987L31.4Very low36.4Very low133 Ų133124.9 Ų124.970%0.69679%0.788SS**  trans-121.9148.7-170.9-81.1168.6000113.9R432R432-L987 WeakPolarHBondContact O-CD2 3Å
988D37.1Very low36.4Very low152 Ų152125.3 Ų125.381%0.81379%0.793SS**  trans48.4134.8151.3-62.5-30.5000123
989G38.4Very low36.4Very low79 Ų79122.4 Ų122.481%0.81479%0.791SS**  trans-166.278.4175.700000111
990I33.3Very low36.6Very low166 Ų166120.6 Ų120.685%0.85178%0.782SS**  trans-64.3150.3-171.139.4169.1000115.9
991K33.6Very low36.6Very low213 Ų213121.6 Ų121.693%0.92679%0.793SS**  trans76.7114156.9-168.8179.6-179.1179.20117.6
992G36.9Very low36.4Very low74 Ų74123.6 Ų123.676%0.76379%0.794SS**  trans-179.446176.500000118.1
993E45.1Very low37Very low195 Ų195122.9 Ų122.991%0.91179%0.789SS**  trans-80.3138.1144.7-64.9-174.9147.400106.6
994P40.5Very low37Very low132 Ų132124.1 Ų124.186%0.85780%0.802SS**  cis-132.6179.227.142.2-26.9000115.5
995G32.1Very low37.6Very low71 Ų71122.5 Ų122.573%0.73280%0.803SS**  trans164.893162.400000116.3
996L45.4Very low37.5Very low184 Ų184128.6 Ų128.696%0.96381%0.813SS**  trans-97.5117.2168.8-80.1167.2000111.3
997P34.6Very low37.4Very low126 Ų126129.2 Ų129.282%0.81882%0.82SS**  trans-133.8146.9143.131.3-16.2000112.2
998G36.4Very low37.8Very low77 Ų77132.8 Ų132.879%0.79483%0.833SS**  cis-146.3-174.77.500000114.4
999A32.1Very low37.8Very low101 Ų101136.2 Ų136.284%0.83583%0.834SS**  trans-82.3172.1-167.500000113.8
1000P41.5Very low37.9Very low110 Ų110135.8 Ų135.871%0.71483%0.83SS**  trans-89.2157.4-155.435.3-37.2000115.9
1001G35.9Very low38.4Very low84 Ų84137.8 Ų137.887%0.86683%0.827SS**  trans-92.987.716000000112.1
1002L30.7Very low38.5Very low154 Ų154134.1 Ų134.181%0.80682%0.817SS**  trans-86.7163.7164.6-88.4172.3000110.6
1003P49.8Very low38.5Very low108 Ų108134.2 Ų134.270%0.70182%0.819SS**  -104.1156.8-119.937.4-39000115.9
1004G35.5Very low38.1Very low81 Ų81133.4 Ų133.484%0.83582%0.815SS**  trans-100.589.9164.200000112.7K1006G1004-K1006 PolarHBondContact O-N 3.44Å
1005Q42.9Very low38.1Very low195 Ų195132.6 Ų132.691%0.91181%0.81SS**  trans-77.8102.3163.3-86.5-161.415.600110.7
1006K33.1Very low38.1Very low213 Ų213132.2 Ų132.293%0.92681%0.806SS**  trans-163.8131.6152.8-142.3172.1-175.8176.70109.5G1004G1004-K1006 PolarHBondContact O-N 3.44Å
1007G40.1Very low37.5Very low66 Ų66133 Ų13368%0.6880%0.802SS**  cis-172.6174.2-6.900000109.5R1009G1007-R1009 PolarHBondContact O-N 2.84Å
1008Q39.8Very low38.3Very low208 Ų208133 Ų13397%0.97280%0.802SS**  trans-64.3130.1176.5-67.7176.9-600111.2
1009R37.2Very low38.1Very low224 Ų224132.9 Ų132.985%0.84580%0.8SS**  trans-119.597.5147.1178179.1-87.1-169.2-6108.3G1007 R1011G1007-R1009 PolarHBondContact O-N 2.84Å; R1009-R1011 WeakPolarHBondContact CG-O 3.33Å
1010G39.2Very low38.1Very low70 Ų70135.8 Ų135.872%0.72280%0.802SS**  trans-83.8123151.200000108.1
1011R43.3Very low37.6Very low207 Ų207139.1 Ų139.178%0.78181%0.805SS**  trans63.6167.1167.5-82.3-179.6-176.4-179.30.9116.4R1009R1009-R1011 WeakPolarHBondContact CG-O 3.33Å
1012D36.8Very low37.6Very low136 Ų136138.4 Ų138.473%0.72780%0.797SS**  cis-119.9169.5-5.3-95.8-53.9000111.6
1013G35.8Very low37.5Very low77 Ų77138 Ų13879%0.79479%0.792SS**  trans-17965.8-177.900000115.9
1014Q37.8Very low37.1Very low177 Ų177139.2 Ų139.283%0.82780%0.799SS**  trans-82.1-172.1160.2-55.2178.3-23.100109.9
1015P39.5Very low37Very low116 Ų116139.1 Ų139.175%0.75380%0.798SS**  cis-133.1166-21.119.34.5000115.3
1016G33.6Very low37.2Very low63 Ų63138.3 Ų138.365%0.64980%0.799SS**  trans72.1175.9154.800000117.4
1017F31.3Very low37.3Very low201 Ų201135.6 Ų135.688%0.88280%0.8SS**  cis-171.9-176.4-16.7-97.7-55.4000106.5
1018P52.6Low37.1Very low126 Ų126136.1 Ų136.182%0.81881%0.805SS**  -119.3176.4-58.838.6-24.7000112.1
1019G32.6Very low36.8Very low73 Ų73134.8 Ų134.875%0.75380%0.801SS**  trans-178.4101.4171.700000116.5
1020D30.4Very low36.9Very low163 Ų163129.8 Ų129.887%0.87280%0.798SS**  trans34.591.3148.2-55.4-26000122.1
1021K32.1Very low36.8Very low179 Ų179130.3 Ų130.378%0.77880%0.803SS**  36.5120.1113.2-167.1-166.7-178.3-129.10120.4E1023K1021-E1023 WeakPolarHBondContact CE-OE1 3.35Å; K1021-E1023 IonicContact NZ-OE1 2.67Å; K1021-E1023 PolarHBondContact NZ-OE1 3.31Å
1022G34.5Very low36.5Very low69 Ų69127.2 Ų127.271%0.71181%0.807SS**  trans131.7150.1135.600000116.1
1023E29.4Very low36.6Very low147 Ų147126.6 Ų126.669%0.68781%0.811SS**  cis-165.2151.1-16.3-133.2165.1-135.800108.4K1021K1021-E1023 WeakPolarHBondContact CE-OE1 3.35Å; K1021-E1023 IonicContact NZ-OE1 2.67Å; K1021-E1023 PolarHBondContact NZ-OE1 3.31Å
1024P41.9Very low36.7Very low133 Ų133126.4 Ų126.486%0.86481%0.808SS**  trans-89.7118.7176.632.6-31.4000112.5
1025G34Very low36.6Very low79 Ų79126 Ų12681%0.81481%0.81SS**  trans176.9135.917200000113.9
1026L46.7Very low36.2Very low178 Ų178128.3 Ų128.393%0.93282%0.816SS**  trans-103.4139.9176.6-79.7165.2000111.4
1027V33.7Very low36.5Very low155 Ų155129 Ų12994%0.93982%0.823SS**  trans-171.7133133.7143.70000107.6
1028G36.7Very low36.8Very low77 Ų77124.2 Ų124.279%0.79482%0.821SS**  trans15794.7177.700000114.6
1029M32.7Very low36.9Very low180 Ų180124.7 Ų124.789%0.88782%0.824SS**  trans-101.6-179.5170.4-65.8172.163.300109.7
1030P40.6Very low37.1Very low120 Ų120124 Ų12478%0.77982%0.817SS**  cis-125.9175.1-43.331.7-14.7000112.1
1031G36.7Very low37.3Very low80 Ų80123.3 Ų123.383%0.82581%0.81SS**  trans177.280.1173.300000118.1
1032V36.8Very low37.7Very low142 Ų142120.1 Ų120.186%0.86180%0.796SS**  trans-97173162.2-107.70000109.4
1033P40Very low38.2Very low124 Ų124119.4 Ų119.481%0.80579%0.788SS**  cis-138.4179.7338-18.3000117.2
1034G37.6Very low38.3Very low72 Ų72120.1 Ų120.174%0.74279%0.792SS**  trans107.7148.5152.400000116.6
1035I34.7Very low38.3Very low170 Ų170123.9 Ų123.987%0.87279%0.789SS**  cis-141.8157.62.5-61.9179.9000110.1
1036N32.6Very low38.3Very low164 Ų164123.4 Ų123.488%0.87778%0.784SS**  trans-66.6173.2177.4-56.3-34.3000113.5
1037G38.4Very low37.9Very low76 Ų76123.7 Ų123.778%0.78478%0.778SS**  cis-173.9-160.1600000109
1038A37.8Very low38.1Very low102 Ų102122.1 Ų122.184%0.84377%0.771SS**  cis-159.1168.6-1.600000109.8
1039P54.1Low38Very low136 Ų136121.9 Ų121.988%0.88377%0.768SS**  trans-115.5179.5-159.242.6-35.7000117.4
1040G38.2Very low38Very low59 Ų59121.5 Ų121.561%0.60877%0.769SS**  trans170161.615600000117.3
1041M34Very low38.2Very low148 Ų148120.8 Ų120.873%0.72976%0.764SS**BIsolated β-bridgecis-168.384.2-23.6-153.3-171.381.300115.9P459P459-M1041 WeakPolarHBondContact CB-O 3.27Å
1042K41.7Very low38.3Very low112 Ų112119.3 Ų119.349%0.48775%0.749SS.*  trans54.8126.6150.4176.9177.9175.2-78.80122.5P459 G460 P462 E1044P459-K1042 VanDerWaalsContact C-N 3.26Å; P459-K1042 CarbonylContact O-C 3.6Å; P459-K1042 WeakPolarHBondContact O-CA 3.39Å; P459-K1042 PolarHBondContact O-N 3.03Å; P459-K1042 VanDerWaalsContact O-N 3.1Å; G460-K1042 WeakPolarHBondContact O-CA 3.32Å; G460-K1042 PolarHBondContact O-N 2.87Å; P462-K1042 HydrophobicContact CG-CB 4.35Å; P462-K1042 HydrophobicContact CG-CD 3.88Å; P462-K1042 HydrophobicContact CG-CG 3.82Å; K1042-E1044 WeakPolarHBondContact CE-OE1 3.45Å; K1042-E1044 IonicContact NZ-OE1 3.9Å; K1042-E1044 PolarHBondContact NZ-OE1 2.81Å
1043G43.3Very low38.2Very low53 Ų53120.7 Ų120.755%0.54675%0.746SS.*  trans142.2159.6138.500000117.6
1044E31.7Very low38.3Very low163 Ų163121.1 Ų121.176%0.76274%0.735SS**  cis-158.9-171.1-21.4-143.6159.9-132.200113.7K1042K1042-E1044 WeakPolarHBondContact CE-OE1 3.45Å; K1042-E1044 IonicContact NZ-OE1 3.9Å; K1042-E1044 PolarHBondContact NZ-OE1 2.81Å
1045R41.6Very low38.4Very low211 Ų211120.5 Ų120.580%0.79673%0.729SS**  trans-90.4148.6-153.2175.6-173.2-62.5172.90.4116.3
1046G34Very low38.4Very low69 Ų69117.2 Ų117.271%0.71171%0.71SS**  trans-140.2142.9163.800000113.4
1047F40.1Very low39Very low185 Ų185113.8 Ų113.881%0.81170%0.697SS**  trans-92.7157-167.8-63.6-99.9000115.1
1048P37.2Very low39Very low122 Ų122112.5 Ų112.579%0.79268%0.683SS**  -134.2163.4129.829.2-12.8000113.3
1049G35.2Very low39Very low71 Ų71115.2 Ų115.273%0.73267%0.671SS**  trans-122.3157.6-172.600000116.7
1050L30.9Very low38.1Very low173 Ų173114 Ų11491%0.90667%0.666SS**  trans48.7114.4154.8-57.1179.3000120.1
1051P46.1Very low38.1Very low105 Ų105116 Ų11668%0.68268%0.677SS**  trans-76.3169.5169.2-15.731.7000115.4M1086P1051-M1086 HydrophobicContact CB-CG 4.22Å; P1051-M1086 VanDerWaalsContact O-CE 3.25Å; P1051-M1086 WeakPolarHBondContact O-CE 3.34Å
1052G39.3Very low38.3Very low48 Ų48112.8 Ų112.850%0.49567%0.674SS.*  trans-115.9160.317200000113.4M1086G1052-M1086 WeakPolarHBondContact O-CG 3.39Å; G1052-M1086 PolarHBondContact O-N 2.88Å
1053E32.9Very low38Very low171 Ų171115.3 Ų115.380%0.79969%0.693SS**  trans-64168.3-159.9-68178.5119.600117.5G1085 M1086E1053-G1085 WeakPolarHBondContact O-CA 3.24Å; E1053-M1086 HydrophobicContact CB-SD 4.41Å; E1053-M1086 HydrophobicContact CG-CE 4.06Å; E1053-M1086 HydrophobicContact CG-SD 3.81Å
1054K42.6Very low37.7Very low133 Ų133116 Ų11658%0.57870%0.7SS**  trans-113.3135.1178.5164.2-177.5172.8-167.80110.4M1086K1054-M1086 HydrophobicContact CB-CB 4.42Å; K1054-M1086 WeakPolarHBondContact CB-O 3.47Å
1055G39.9Very low37.9Very low59 Ų59113.3 Ų113.361%0.60871%0.706SS**PPolyproline II helixtrans-76.4155.1169.800000114.1
1056E34.9Very low37.6Very low102 Ų102112.5 Ų112.548%0.47771%0.708SS.*PPolyproline II helixtrans-64.8148.4-176.7-65167.811400113.4P514P514-E1056 VanDerWaalsContact CD-O 3.27Å; P514-E1056 WeakPolarHBondContact CD-O 3.28Å; P514-E1056 VanDerWaalsContact CG-O 3.29Å; P514-E1056 WeakPolarHBondContact CG-O 3.34Å
1057P45Very low37.9Very low92 Ų92112.6 Ų112.660%0.59771%0.709SS**PPolyproline II helixtrans-85.2137.3164.4-2.421.7000111.7
1058G38.6Very low37.5Very low48 Ų48111.4 Ų111.450%0.49571%0.706SS.*PPolyproline II helixtrans-67.5150.1167.300000112.8
1059R37.8Very low37.3Very low159 Ų159115 Ų11560%0.671%0.709SS**PPolyproline II helixtrans-81.8154.4-172.8-70.4-179.4162.4-133.1-13114.6E511E511-R1059 VanDerWaalsContact O-CD 3.31Å; E511-R1059 WeakPolarHBondContact O-CD 3.49Å; E511-R1059 PolarHBondContact O-NE 3.43Å; E511-R1059 IonicContact OE2-CZ 3.73Å; E511-R1059 IonicContact OE2-NE 3.89Å; E511-R1059 IonicContact OE2-NH2 3.79Å; E511-R1059 PolarHBondContact OE2-NH2 3.29Å
1060S36.1Very low37.5Very low110 Ų110114.9 Ų114.977%0.76971%0.707SS**PPolyproline II helixtrans-53.7147.4166.7-41.60000111.8
1061A37.1Very low37.5Very low101 Ų101115.2 Ų115.284%0.83570%0.704SS**  56.3140.571.200000113.5
1062A37.5Very low37.1Very low81 Ų81116.2 Ų116.267%0.66971%0.711SS**  cis-142.7-167.4-0.500000108.2
1063D36.7Very low36.8Very low166 Ų166117.3 Ų117.389%0.88872%0.722SS**  cis-154.9159.539-86.8-55.3000111.6
1064G37.2Very low36.8Very low68 Ų68117.2 Ų117.270%0.70173%0.726SS**  cis164.6168.7-600000114.1
1065A35.3Very low36.8Very low106 Ų106116.5 Ų116.588%0.87674%0.735SS**  trans-158.1131.7159.400000108.5
1066K34.6Very low36.6Very low193 Ų193117.4 Ų117.484%0.83975%0.745SS**  trans-94.5120.2-178.1-178-173.9173.3-1690110.4
1067G40.3Very low36.5Very low71 Ų71121.1 Ų121.173%0.73277%0.767SS**  trans-151137.5174.200000110.8
1068E33.2Very low36.1Very low161 Ų161126.5 Ų126.575%0.75278%0.775SS**  trans-97.6132.1-151.9-55.4-167.9134.400116.5
1069K33.1Very low36.2Very low197 Ų197127.4 Ų127.486%0.85778%0.784SS**  54.1110.9125-166.7-176.6-178.6-176.10120.6
1070G38Very low36Very low68 Ų68123.6 Ų123.670%0.70178%0.775SS**  trans158.990.8157.900000111.2
1071Q30.6Very low36.4Very low180 Ų180122.9 Ų122.984%0.84177%0.768SS**  55.1140.283.6-69.5-166.4-7.100115.4
1072P38.4Very low36.7Very low126 Ų126120.9 Ų120.982%0.81876%0.758SS**  cis-123.2167.5-21.737.6-22.2000113.1
1073G33.5Very low36.9Very low71 Ų71123.1 Ų123.173%0.73277%0.765SS**  trans-96.5165.4171.300000113
1074L32.1Very low37.3Very low170 Ų170121.4 Ų121.489%0.8976%0.763SS**  trans-167.9161.7168.3-107171.4000109
1075P43.8Very low37.5Very low118 Ų118120 Ų12077%0.76675%0.748SS**  -107.9157.3-86.836.4-28000114.4
1076G34.4Very low37.4Very low78 Ų78118.6 Ų118.680%0.80473%0.725SS**  trans-86.2147.1-171.100000116.7R1078G1076-R1078 PolarHBondContact O-N 3.32Å
1077L32.5Very low37.8Very low180 Ų180114.2 Ų114.294%0.94273%0.725SS**  trans-79.379.8169.3-86.3169.5000112.4G1079L1077-G1079 PolarHBondContact O-N 3.49Å
1078R36.5Very low37.8Very low205 Ų205114 Ų11477%0.77472%0.722SS**  trans40.953.9136.1-159.3175.4178.3152.3-3117.6G1076G1076-R1078 PolarHBondContact O-N 3.32Å
1079G41Very low38.2Very low66 Ų66115.1 Ų115.168%0.6873%0.732SS**PPolyproline II helixtrans-58.1137.8152.500000109.8L1077 P1081L1077-G1079 PolarHBondContact O-N 3.49Å; G1079-P1081 WeakPolarHBondContact O-CD 3.41Å
1080L35Very low38.3Very low79 Ų79115.2 Ų115.241%0.41474%0.736SS.*PPolyproline II helixtrans-76125.9-173-64.2179.5000111.4K182 G1082K182-L1080 HydrophobicContact CB-CD1 4.4Å; K182-L1080 HydrophobicContact CB-CD2 3.78Å; K182-L1080 HydrophobicContact CD-CD2 4.15Å; K182-L1080 HydrophobicContact CG-CD2 3.97Å; L1080-G1082 PolarHBondContact O-N 2.8Å
1081P44.7Very low38.3Very low95 Ų95114.8 Ų114.862%0.61773%0.732SS**PPolyproline II helixtrans-63.9132176.2-23.534.2000112.4G1079G1079-P1081 WeakPolarHBondContact O-CD 3.41Å
1082G43.1Very low39.3Very low60 Ų60112.2 Ų112.262%0.61973%0.73SS**PPolyproline II helixtrans-62.9164.2153.700000111.1L1080L1080-G1082 PolarHBondContact O-N 2.8Å
1083P40.3Very low39.3Very low128 Ų128112.2 Ų112.283%0.83173%0.73SS**PPolyproline II helixtrans-64143.7-172.525.2-34000112.8
1084P46.8Very low39.8Very low129 Ų129112.2 Ų112.284%0.83873%0.731SS**PPolyproline II helixtrans-64.3140.3173.2-19.932.3000112.5
1085G41.1Very low40.1Very low38 Ų38110 Ų11039%0.39273%0.726SS.*PPolyproline II helixtrans-84.7164.8163.900000112.5E1053E1053-G1085 WeakPolarHBondContact O-CA 3.24Å
1086M32.8Very low39.8Very low78 Ų78114.1 Ų114.138%0.38473%0.732SS.*  trans-43.5143.9-179.4-92.8174.9-166.100115.3P1051 G1052 E1053 K1054P1051-M1086 HydrophobicContact CB-CG 4.22Å; P1051-M1086 VanDerWaalsContact O-CE 3.25Å; P1051-M1086 WeakPolarHBondContact O-CE 3.34Å; G1052-M1086 WeakPolarHBondContact O-CG 3.39Å; G1052-M1086 PolarHBondContact O-N 2.88Å; E1053-M1086 HydrophobicContact CB-SD 4.41Å; E1053-M1086 HydrophobicContact CG-CE 4.06Å; E1053-M1086 HydrophobicContact CG-SD 3.81Å; K1054-M1086 HydrophobicContact CB-CB 4.42Å; K1054-M1086 WeakPolarHBondContact CB-O 3.47Å
1087A41.7Very low40.1Very low101 Ų101114 Ų11484%0.83573%0.731SS**PPolyproline II helixtrans-67.2131.9163.100000110.5
1088G40.4Very low40.1Very low65 Ų65115.1 Ų115.167%0.6773%0.731SS**PPolyproline II helixtrans-83.1144.6164.500000110.6
1089L42.6Very low40.4Very low186 Ų186111.9 Ų111.997%0.97474%0.735SS**PPolyproline II helixtrans-67.6151.1169.3-78.1161.4000111.1
1090Q35.1Very low40.3Very low198 Ų198112.3 Ų112.393%0.92574%0.739SS**  trans-134.6134165.9-174.7176.129.200111.7
1091G38.4Very low40.6Very low60 Ų60115.9 Ų115.962%0.61976%0.763SS**  trans87.582.7136.800000118.6
1092P51Low40.1Very low125 Ų125114.1 Ų114.181%0.81276%0.763SS**  trans-80.6150.715935.1-33.3000111.6
1093P39.3Very low39.7Very low126 Ų126122.4 Ų122.482%0.81878%0.777SS**  trans-94137.5152.6-9.928.6000111.3
1094G44.2Very low40Very low72 Ų72122.3 Ų122.374%0.74278%0.776SS**  trans-84.8-141.7163.800000111.3
1095P37.1Very low39.6Very low123 Ų123119.7 Ų119.780%0.79977%0.773SS**  cis-139.8-173.21.243.4-26.5000114.2
1096K38.1Very low39.2Very low205 Ų205126.1 Ų126.189%0.89180%0.797SS**  -177.3136.2116.2-110.8-175.6175-178.80116
1097G41.4Very low39.9Very low75 Ų75128.3 Ų128.377%0.77382%0.817SS**  85.8104.6119.800000118.6
1098E30.7Very low39.6Very low204 Ų204127.1 Ų127.195%0.95381%0.814SS**  trans-84.3172.8173.9-67.7167.3110.300113.8
1099T42.7Very low39.3Very low137 Ų137135.9 Ų135.984%0.8483%0.827SS**  trans-100.2162.9-167.749.80000115.3
1100G39.6Very low38.7Very low75 Ų75137.1 Ų137.177%0.77383%0.825SS**  trans-130.9156.9162.600000111.6
1101V41.1Very low38.8Very low153 Ų153131.3 Ų131.393%0.92782%0.819SS**  trans-138.7145.7-162.4-178.40000113.9
1102G35.4Very low38.8Very low58 Ų58137.4 Ų137.460%0.59883%0.831SS**  trans164.6142167.400000109.6
1103Y34.1Very low38.2Very low234 Ų234137.5 Ų137.592%0.91883%0.832SS**  cis-141.116913.8-86-93.6000111.7
1104P46.4Very low37.9Very low126 Ų126134.9 Ų134.982%0.81883%0.827SS**  trans-99165.9-169.538.4-35.7000116.2
1105G39Very low37.7Very low74 Ų74136.1 Ų136.176%0.76383%0.83SS**  trans-147.5156.7169.900000111.9
1106L31.8Very low37.6Very low174 Ų174136.3 Ų136.391%0.91183%0.831SS**  trans-120.3170.2-163.6-83.4170.2000113.7
1107P48.2Very low37.4Very low124 Ų124129.9 Ų129.981%0.80582%0.823SS**  trans-115171.1-13342.5-38.4000117.3
1108G34.6Very low37.1Very low75 Ų75131.9 Ų131.977%0.77383%0.826SS**  trans-170.781.7175.100000119.2
1109R34.1Very low37.7Very low250 Ų250128.2 Ų128.294%0.94382%0.82SS**  trans41.5131.5145.4-87.1-175.7166.2-170.9-4.1124.5
1110K30.4Very low37.3Very low211 Ų211125 Ų12592%0.91781%0.813SS**  trans87.8122.6132.6-166.4180-177.7-176.30119.4
1111G38.2Very low37.1Very low77 Ų77129 Ų12979%0.79482%0.816SS**  trans173.246.9173.700000117.5
1112E38.6Very low36.8Very low188 Ų188127.5 Ų127.588%0.87981%0.81SS**  trans-70.6160159.4-68.2-179123.400109.9
1113P37.4Very low36.7Very low127 Ų127126 Ų12683%0.82579%0.794SS**  cis-150172.731.842.7-22.3000119.7
1114G33Very low36.5Very low70 Ų70119.6 Ų119.672%0.72278%0.775SS**  92.7102.112600000121.6
1115A39.9Very low36.1Very low98 Ų98120.8 Ų120.881%0.8177%0.769SS**  trans45.4144.5130.900000121.2
1116P34.8Very low36.2Very low127 Ų127120.3 Ų120.383%0.82576%0.764SS**  cis-151.5175.544.342.7-22.6000118.5
1117G34.1Very low36.5Very low70 Ų70118.2 Ų118.272%0.72275%0.754SS**  trans76.8116.7141.800000118.7P1119G1117-P1119 WeakPolarHBondContact O-CD 3.17Å
1118S35.6Very low35.9Very low118 Ų118117.5 Ų117.583%0.82574%0.738SS**  trans-85.8119.8173.255.60000113.1
1119P43.3Very low36.3Very low127 Ų127117.6 Ų117.683%0.82574%0.738SS**  trans-80.3136.7159.4-4.524.3000109.5G1117G1117-P1119 WeakPolarHBondContact O-CD 3.17Å
1120G33.3Very low36.4Very low68 Ų68111 Ų11170%0.70173%0.731SS**  trans-104.1158.7179.600000114.1
1121L35.7Very low36.9Very low159 Ų159108.9 Ų108.983%0.83273%0.729SS**  trans69.8138.9169-62.3165.6000114.8
1122P36.2Very low36.9Very low123 Ų123107.9 Ų107.980%0.79972%0.718SS**  -123.1167.652.116.66.3000115.9
1123G33.1Very low37.1Very low25 Ų25105.1 Ų105.126%0.25872%0.717SS.*  trans-98.3-173.116600000113.5
1124L30.1Very low37.3Very low100 Ų100104.9 Ų104.952%0.52472%0.715SS.*  trans72.7139.7-170.6-44.4166.8000111.9I252 G253I252-L1124 HydrophobicContact CB-CD2 3.86Å; I252-L1124 HydrophobicContact CG2-CD2 4.33Å; I252-L1124 WeakPolarHBondContact O-CD2 3.23Å; G253-L1124 PolarHBondContact O-N 3.34Å
1125Q36.5Very low37.3Very low151 Ų151104.8 Ų104.871%0.70671%0.714SS**  cis-159.895.322.6-169.3-179.63.500114.4I252I252-Q1125 HydrophobicContact CD1-CB 4.45Å; I252-Q1125 HydrophobicContact CD1-CG 3.51Å; I252-Q1125 HydrophobicContact CG1-CG 4.1Å
1126G41.8Very low37.1Very low64 Ų64109.9 Ų109.966%0.6672%0.718SS**SBendtrans-112.4117.7161.500000114I252I252-G1126 VanDerWaalsContact CG1-C 3.46Å; I252-G1126 WeakPolarHBondContact CG1-O 3.33Å
1127L37.8Very low37.4Very low131 Ų131109.4 Ų109.469%0.68672%0.716SS**  trans-79.5127.4-154.5-71.9141.3000118.4I252I252-L1127 HydrophobicContact CD1-CD2 3.91Å; I252-L1127 HydrophobicContact CD1-CG 4.07Å
1128K36.5Very low37.6Very low109 Ų109110 Ų11047%0.47472%0.721SS.*  trans24.9106.3145-164.6-159-156.8141.20120I249 G250 S251I249-K1128 HydrophobicContact CG2-CD 4.15Å; G250-K1128 WeakPolarHBondContact O-CD 3.26Å; G250-K1128 WeakPolarHBondContact O-CE 3.46Å; G250-K1128 VanDerWaalsContact O-CG 3.25Å; G250-K1128 WeakPolarHBondContact O-CG 3.35Å; G250-K1128 PolarHBondContact O-NZ 3.2Å; S251-K1128 PolarHBondContact O-N 2.81Å
1129G42.5Very low37.4Very low76 Ų76109.4 Ų109.478%0.78472%0.724SS**PPolyproline II helixtrans-91150.6149.100000112.5
1130S35.3Very low36.9Very low112 Ų112112.7 Ų112.778%0.78373%0.725SS**PPolyproline II helixtrans-99.5148.3-178.750.80000113.8G1132S1130-G1132 PolarHBondContact O-N 2.92Å
1131L41Very low37.1Very low166 Ų166112.7 Ų112.787%0.86973%0.725SS**PPolyproline II helixtrans-65.8128.2-175.6-72.571.2000113.4
1132G38.9Very low36.8Very low56 Ų56109.4 Ų109.458%0.57772%0.721SS**PPolyproline II helixtrans-90.6142.6137.800000108.9S1130 P1134S1130-G1132 PolarHBondContact O-N 2.92Å; G1132-P1134 WeakPolarHBondContact O-CD 3.27Å
1133P42.4Very low37.5Very low131 Ų131107.9 Ų107.985%0.85172%0.719SS**  trans-85.3114.5-167.531.3-34.4000113.9
1134P40.9Very low37.7Very low121 Ų121109 Ų10979%0.78673%0.73SS**  trans-106.3123177.612.810.6000111.4G1132G1132-P1134 WeakPolarHBondContact O-CD 3.27Å
1135G35Very low37.8Very low68 Ų68111.1 Ų111.170%0.70174%0.741SS**  trans58.6121.6153.400000119.7P1137G1135-P1137 WeakPolarHBondContact O-CD 3.37Å
1136F34.5Very low38.4Very low205 Ų205111.7 Ų111.790%0.89975%0.749SS**  trans-94.2105.5148-83.9-89.5000109.9
1137P41.2Very low38.2Very low118 Ų118112.3 Ų112.377%0.76676%0.756SS**  trans-123.3146.8152.97.614.7000113.2G1135G1135-P1137 WeakPolarHBondContact O-CD 3.37Å
1138G38Very low38.2Very low81 Ų81114.2 Ų114.284%0.83577%0.766SS**  trans78.874.414400000119.4
1139A32.8Very low38.9Very low107 Ų107114.5 Ų114.588%0.88478%0.779SS**  trans-98.684.5165.800000113.1
1140K32.1Very low38.7Very low196 Ų196114.4 Ų114.485%0.85278%0.778SS**  trans-168.7149.3153.2-137.7140-176.7169.80110.4
1141G36.8Very low38.8Very low68 Ų68115.8 Ų115.870%0.70178%0.781SS**  cis-165.2-159.16.900000114.6
1142A30.3Very low39.2Very low90 Ų90114.1 Ų114.174%0.74478%0.78SS**  trans-76.1160.2-162.800000116.7K700K700-A1142 PolarHBondContact NZ-O 3.28Å
1143A50.4Low39.3Very low91 Ų91114.9 Ų114.975%0.75279%0.788SS**  trans-67.6-178.7-167.100000117.2K700K700-A1143 PolarHBondContact NZ-O 3.22Å
1144G37.7Very low39Very low49 Ų49118.5 Ų118.551%0.50579%0.794SS.*  trans-145126.615000000105.1
1145L32.7Very low38.9Very low143 Ų143122.1 Ų122.175%0.74980%0.797SS**  75.8121.880.1-71.8176000112.8
1146D47.1Very low39.3Very low163 Ų163121.8 Ų121.887%0.87279%0.794SS**  trans-86.9160.5-166.4-56-70.2000114.8
1147G39.5Very low39.3Very low78 Ų78118.4 Ų118.480%0.80478%0.784SS**  trans-110.1133.1167.100000111.9
1148L36.4Very low39Very low171 Ų171120 Ų12090%0.89579%0.786SS**PPolyproline II helixtrans-94.5166.9-174.8-80.1171000113.3
1149P51Low39.1Very low114 Ų114119.6 Ų119.674%0.7478%0.782SS**PPolyproline II helixtrans-100172.4-146.338.8-39.3000117.2
1150G38.8Very low39.1Very low74 Ų74124.3 Ų124.376%0.76378%0.783SS**PPolyproline II helixtrans-90.3167.4164.800000113.8
1151V37.5Very low39.8Very low141 Ų141120.8 Ų120.886%0.85578%0.78SS**  trans-121.4150.8-158.1-179.40000112.5
1152P50Low39.9Very low131 Ų131120.9 Ų120.985%0.85178%0.781SS**  trans-96.5169.9-159.2-4.925.6000118.4
1153G40.5Very low40.1Very low72 Ų72125.1 Ų125.174%0.74279%0.786SS**  trans-174.9154.9158.800000110
1154Q36.6Very low39.2Very low208 Ų208129.4 Ų129.497%0.97279%0.787SS**  cis-137.5-163.8-4.5-70.9-171.2-1300110.3
1155K39Very low39.2Very low196 Ų196130.8 Ų130.885%0.85280%0.802SS**  trans-139.2140.9-162-173.6-175.8-178.6-174.10114.5
1156G42.4Very low39.7Very low62 Ų62132.2 Ų132.264%0.63981%0.805SS**  trans-175.1119.7166.200000108.3
1157L34Very low39.4Very low133 Ų133131.1 Ų131.170%0.69681%0.806SS**  67.5126.956.9-54.8169.7000112.2
1158D35.3Very low39.2Very low152 Ų152130.6 Ų130.681%0.81380%0.801SS**  cis-162.5163.3-12.3-106.5-16.3000109.2
1159G40.1Very low39.6Very low72 Ų72132.6 Ų132.674%0.74280%0.803SS**  trans170.392.2173.200000119.1
1160F33.2Very low39.1Very low206 Ų206133.3 Ų133.390%0.90481%0.808SS**  trans-132.1171.7166.4-79.7-83.3000108.3
1161P47.2Very low39.1Very low122 Ų122133.3 Ų133.379%0.79281%0.808SS**  cis-137.6177.9-4038.9-23.2000114.3
1162G39.3Very low39.4Very low70 Ų70134.6 Ų134.672%0.72281%0.808SS**  trans116.2169.4147.500000118.5
1163Q33.3Very low38.7Very low179 Ų179135.6 Ų135.684%0.83681%0.812SS**  cis-164.5148.8-26.4-145.6-169.780.500112.8
1164K32.4Very low38.7Very low181 Ų181135.1 Ų135.179%0.78781%0.806SS**  trans72.5136150.9-164.8170.4-175.5174.60120.7
1165G38.2Very low39.4Very low79 Ų79131.3 Ų131.381%0.81480%0.8SS**  trans-178.469.3170.600000114.8
1166E42.5Very low39.9Very low173 Ų173128.2 Ų128.281%0.80880%0.8SS**  trans-108.3141.2163.4-63.4-179.7119.800107.9
1167P39.4Very low39.6Very low139 Ų139129 Ų12990%0.90381%0.808SS**  -146.7171.980.636-17000115.1
1168G36.5Very low40.2Very low68 Ų68130.6 Ų130.670%0.70182%0.816SS**  cis169.1-175.1-500000113.4
1169F45.4Very low41Very low212 Ų212129.4 Ų129.493%0.9382%0.816SS**  trans-86.9151.2171.7-67.7-99.8000110.7
1170P40.2Very low40.7Very low129 Ų129129.5 Ų129.584%0.83882%0.817SS**  -145.6156.1101.937.5-23.1000115.2
1171G37.4Very low41.2Very low74 Ų74129.4 Ų129.476%0.76382%0.82SS**  trans175.654.3176.800000113.6
1172I44.7Very low40.8Very low169 Ų169132.2 Ų132.287%0.86782%0.82SS**  trans-111.390.5-170.5-48.9174.5000111.6
1173V35.6Very low40.7Very low152 Ų152132.5 Ų132.592%0.92182%0.822SS**  trans-153.4130.6159.9-171.60000107.1
1174G40.2Very low40.6Very low61 Ų61130.4 Ų130.463%0.62982%0.817SS**  cis177.3151-10.300000110.2
1175P52.3Low40.5Very low129 Ų129131 Ų13184%0.83883%0.825SS**  trans-80.1170.9166.335.8-35.2000110.9
1176P48.2Very low40.5Very low131 Ų131130.6 Ų130.685%0.85182%0.821SS**  cis-119.9177.20.640.9-28.1000114
1177G37.5Very low40.3Very low78 Ų78129.1 Ų129.180%0.80482%0.823SS**  trans-162.146.3-176.700000116.1
1178L45.5Very low40.2Very low166 Ų166128.5 Ų128.587%0.86982%0.819SS**  trans-113.7159.2164.4-71.5175000108.5
1179P52.1Low40Very low127 Ų127128.5 Ų128.583%0.82582%0.819SS**  cis-133163.3-23.136.2-20.1000113.9
1180G34.6Very low39.6Very low74 Ų74126.7 Ų126.776%0.76382%0.817SS**  trans163.2146167.700000111.5
1181E42.2Very low39.5Very low205 Ų205132 Ų13296%0.95882%0.82SS**  cis-120.5175.43.6-71.7-162.3109.700113.6
1182K40.1Very low39.6Very low181 Ų181131.3 Ų131.379%0.78781%0.814SS**  trans-125.9120.9-177.9167.6-168.4172.5-173.10109.5N1184K1182-N1184 WeakPolarHBondContact CE-ND2 3.43Å
1183G36.8Very low39.2Very low75 Ų75130.8 Ų130.877%0.77381%0.813SS**  trans-166.899178.300000108.8
1184N30.1Very low39.4Very low135 Ų135133.1 Ų133.172%0.72281%0.811SS**  cis64.191.835.6-76.522.6000114.8K1182K1182-N1184 WeakPolarHBondContact CE-ND2 3.43Å
1185M31.5Very low39.5Very low195 Ų195133.6 Ų133.696%0.96182%0.815SS**  -173.7134.8126.9-162.5148.756.400109.8
1186G36.9Very low38.7Very low70 Ų70132.1 Ų132.172%0.72281%0.814SS**  cis-162.9150.7-600000113.6
1187V38.9Very low38Very low142 Ų142133.9 Ų133.986%0.86182%0.816SS**  trans-80.8144.1168.2-171.90000106.4
1188P37.7Very low38.1Very low125 Ų125133.4 Ų133.481%0.81281%0.811SS**  -154.3173.553.442.2-20.6000120.1
1189G33.2Very low37.4Very low69 Ų69134 Ų13471%0.71181%0.814SS**  trans104.7139.2163.600000114.9
1190I36.8Very low37.3Very low174 Ų174133.9 Ų133.989%0.89281%0.814SS**  cis-150.7140.9-0.529.3172000112.2
1191R37.3Very low37.2Very low239 Ų239134.2 Ų134.290%0.90282%0.817SS**  trans11.9136.8145.1-164.4178.6-166.5161.33.1119.6
1192G40Very low36.7Very low61 Ų61136.2 Ų136.263%0.62982%0.816SS**  cis168.4-167.70.600000114.4
1193D35.8Very low37.3Very low157 Ų157134 Ų13484%0.8482%0.82SS**  trans67.2140.4173.7-51-12.5000115.2
1194K39.9Very low37.4Very low202 Ų202133.6 Ų133.688%0.87882%0.816SS**  cis-162.8142.74.1-161.4174.6-179.6177.60105.5
1195G42Very low37.6Very low70 Ų70131.9 Ų131.972%0.72282%0.82SS**  cis97121.335.500000110.6
1196A35.3Very low38.5Very low99 Ų99129.1 Ų129.182%0.81882%0.817SS**  cis-163.7-176.3-2.500000112.4
1197D33.9Very low38.4Very low168 Ų168129 Ų12990%0.89882%0.816SS**  trans-67.3176.2-176.1-43.4-92.9000116
1198G39.5Very low38.1Very low67 Ų67131.3 Ų131.369%0.69182%0.82SS**  cis153.7172.8-8.400000115
1199L31.8Very low38Very low179 Ų179133.4 Ų133.494%0.93782%0.824SS**  trans67.5161.8160.6-67.7176.8000121.2
1200P49Very low38.8Very low125 Ų125133.2 Ų133.281%0.81282%0.822SS**  trans-111.4170.5-152.842.2-36.9000117.4
1201G33.2Very low38.6Very low81 Ų81133.4 Ų133.484%0.83582%0.824SS**  trans-152.8163.3174.600000115.1
1202R32.1Very low39.2Very low247 Ų247128.4 Ų128.493%0.93282%0.822SS**  trans-87.2166.2-179.8-96.7-177.7171.7-173.4-1.8113.1
1203P52.4Low39.9Very low133 Ų133128.9 Ų128.986%0.86483%0.827SS**  trans-66137.5177.1-19.532.4000114.6
1204G38.5Very low40.3Very low68 Ų68130.3 Ų130.370%0.70183%0.834SS**  trans-120134.6152.700000108.4
1205A33.6Very low40.7Very low98 Ų98130.9 Ų130.981%0.8184%0.836SS**  72.392.477.300000112.2
1206P51.4Low40.8Very low138 Ų138130.9 Ų130.990%0.89684%0.836SS**  trans-76.6141.6176.431.9-34000111.5
1207G34.1Very low40.4Very low68 Ų68134.9 Ų134.970%0.70184%0.838SS**  trans-179.793.2177.400000116.5
1208M32.3Very low40.6Very low189 Ų189135.3 Ų135.393%0.93184%0.839SS**  trans72118.8147.3-52.5173.571.900119.2
1209D36.7Very low40.3Very low169 Ų169134.8 Ų134.890%0.90483%0.833SS**  trans-67.3157.3164-40.1-93.2000111.3
1210G49.9Very low40.8Very low65 Ų65136 Ų13667%0.6783%0.831SS**  cis176.3155.2-2.500000108.9
1211L31.5Very low40.3Very low179 Ų179136.3 Ų136.394%0.93783%0.833SS**  trans-138.7144.9-168.6-66172.3000114.6
1212P50.9Low40.5Very low133 Ų133135.9 Ų135.986%0.86483%0.828SS**  trans-103171.9-168.86.817.5000114.8
1213G53.3Low40.5Very low71 Ų71132.3 Ų132.373%0.73283%0.827SS**  trans-117.6179.9-173.900000116.6
1214L45.1Very low40.2Very low188 Ų188131.9 Ų131.998%0.98483%0.825SS**  trans60.3142.1-168.1-85.2170.9000115.2
1215K48Very low40.1Very low213 Ų213132.2 Ų132.293%0.92683%0.827SS**  trans-127.8105.7-177.9-179-175.3175.5-175.60110.3
1216G44.7Very low39.9Very low70 Ų70133 Ų13372%0.72283%0.834SS**  trans170.2122.1167.900000112
1217E27.5Very low39Very low183 Ų183131.7 Ų131.786%0.85584%0.835SS**SBendcis-142.9135.3-10.3-75.4-163.7135.700111.1
1218I37.8Very low39Very low178 Ų178131.6 Ų131.691%0.91383%0.834SS**  trans62.6136.3166-55.6174.9000116.9
1219G32Very low39Very low55 Ų55131.9 Ų131.957%0.56783%0.833SS**  trans110.8129.3178.200000112.7
1220F42.6Very low39.1Very low206 Ų206129.6 Ų129.690%0.90483%0.827SS**  cis59.2132.810.2-56.7-80000114.2
1221P39.7Very low38.3Very low130 Ų130129.8 Ų129.884%0.84483%0.829SS**  -124.6164.1-81.838.3-28.8000114.9
1222G37.5Very low38.6Very low72 Ų72129.8 Ų129.874%0.74283%0.829SS**  trans94.5176.3178.600000113.6
1223L31.2Very low37.8Very low172 Ų172131.4 Ų131.490%0.90182%0.823SS**  cis-161.1168.5-15.3-101.8166000106.6
1224P46Very low37.1Very low125 Ų125131.9 Ų131.981%0.81283%0.828SS**  trans-86.8158.9-164.834.8-37.6000115.9
1225G36.6Very low37Very low74 Ų74129.8 Ų129.876%0.76381%0.813SS**  trans-173124.8169.500000118.4
1226A29.6Very low36.7Very low115 Ų115125.7 Ų125.795%0.9581%0.808SS**  trans61.7171.114700000121.9
1227A32.3Very low36.2Very low111 Ų111126 Ų12692%0.91781%0.811SS**  trans-150.5165.5-17100000113.2
1228G33.4Very low37Very low66 Ų66127 Ų12768%0.6881%0.813SS**  trans157.4114.8171.900000109.4
1229Q32.9Very low36.8Very low194 Ų194124.8 Ų124.891%0.90781%0.81SS**  67.4149.659.8-63.4-163.58.100113.7
1230P38.8Very low36.8Very low121 Ų121125.7 Ų125.779%0.78682%0.819SS**  cis-135.4176.612.542.4-26.2000116.9
1231G33.3Very low36.5Very low69 Ų69122.5 Ų122.571%0.71182%0.817SS**  trans98.5142151.500000117
1232L37.7Very low36.8Very low179 Ų179121.5 Ų121.594%0.93781%0.81SS**  cis-142.7150.5-7.6-90.1173000110.9
1233K34.3Very low37.2Very low167 Ų167121 Ų12173%0.72681%0.805SS**  trans-74.7139.9169.7172.2172.6175.4156.30110.1E1235K1233-E1235 WeakPolarHBondContact CE-OE2 3.34Å; K1233-E1235 IonicContact NZ-OE2 3.29Å; K1233-E1235 PolarHBondContact NZ-OE2 2.89Å
1234G38.1Very low37.6Very low81 Ų81115.9 Ų115.984%0.83579%0.787SS**  trans-145.937.3-175.600000115.7
1235E42.8Very low37.9Very low145 Ų145114.5 Ų114.568%0.67877%0.769SS**  trans-77.2164.7154.9-55177.7111.600109.2K1233K1233-E1235 WeakPolarHBondContact CE-OE2 3.34Å; K1233-E1235 IonicContact NZ-OE2 3.29Å; K1233-E1235 PolarHBondContact NZ-OE2 2.89Å
1236P42.6Very low38.2Very low127 Ų127113.9 Ų113.983%0.82576%0.763SS**  cis-131.9-175.93.839.6-21.8000114.7
1237G33.2Very low39.2Very low75 Ų75116.5 Ų116.577%0.77376%0.755SS**  trans-172.739.1177.500000118.6
1238F44.3Very low39.8Very low205 Ų205122.6 Ų122.690%0.89975%0.754SS**  trans-78.9139.1166.8-73-85.8000110.2
1239P34.9Very low39.9Very low131 Ų131122.7 Ų122.785%0.85176%0.756SS**  -143.8-173.880.938.9-20.8000112.6
1240G31.8Very low40.1Very low74 Ų74121.8 Ų121.876%0.76376%0.756SS**  cis-173.1136.5-1.300000111.3
1241V36Very low40.3Very low140 Ų140121.9 Ų121.985%0.84876%0.757SS**  trans-78.8178.3-176.3-78.80000114.2
1242P46.5Very low40.3Very low109 Ų109122.5 Ų122.571%0.70876%0.763SS**  cis-141.2177.3-36.136.2-17.9000115.6
1243G46Very low39.9Very low62 Ų62119 Ų11964%0.63975%0.754SS**  trans111.3144.9160.300000115.4
1244A38.7Very low39.6Very low64 Ų64119.1 Ų119.153%0.52976%0.762SS.*  cis-147.5162.53.200000113.9E109 P110E109-A1244 HydrophobicContact CB-CB 4.27Å; P110-A1244 HydrophobicContact CG-CB 4.35Å; P110-A1244 CarbonylContact O-C 2.91Å; P110-A1244 WeakPolarHBondContact O-CA 3.43Å; P110-A1244 VanDerWaalsContact O-CB 3.23Å; P110-A1244 WeakPolarHBondContact O-CB 3.31Å
1245K52.9Low39.6Very low95 Ų95118.8 Ų118.841%0.41376%0.759SS.*  trans-90.1169.7-166.1140.5-171.1175.7164.20115.9P110 G111 E1247P110-K1245 HydrophobicContact CB-CB 3.92Å; P110-K1245 HydrophobicContact CB-CD 4.12Å; P110-K1245 HydrophobicContact CB-CG 3.9Å; P110-K1245 HydrophobicContact CG-CB 4.09Å; P110-K1245 HydrophobicContact CG-CG 4.3Å; P110-K1245 WeakPolarHBondContact CG-O 3.5Å; P110-K1245 PolarHBondContact O-N 2.74Å; G111-K1245 WeakPolarHBondContact O-CB 3.27Å; G111-K1245 WeakPolarHBondContact O-CD 3.27Å; K1245-E1247 WeakPolarHBondContact CE-OE1 3.32Å; K1245-E1247 IonicContact NZ-OE1 2.73Å; K1245-E1247 PolarHBondContact NZ-OE1 2.99Å; K1245-E1247 IonicContact NZ-OE2 2.62Å
1246G43.2Very low39.1Very low62 Ų62116.7 Ų116.764%0.63977%0.766SS**  trans-170.628.8178.300000120.4R1248G1246-R1248 PolarHBondContact O-N 2.92Å
1247E49.6Very low38.7Very low169 Ų169117.3 Ų117.379%0.7977%0.77SS**  trans19.972.8163.1-74.6164.8174.300116.7K1245K1245-E1247 WeakPolarHBondContact CE-OE1 3.32Å; K1245-E1247 IonicContact NZ-OE1 2.73Å; K1245-E1247 PolarHBondContact NZ-OE1 2.99Å; K1245-E1247 IonicContact NZ-OE2 2.62Å
1248R45.8Very low39.1Very low239 Ų239117.4 Ų117.490%0.90277%0.771SS**  trans-137.6155.4173.9-178.7172.5-70.9-171.7-1.4108.7G1246G1246-R1248 PolarHBondContact O-N 2.92Å
1249G34.4Very low38.5Very low69 Ų69116 Ų11671%0.71177%0.772SS**  trans-66166-170.500000116.3
1250L36.7Very low38.4Very low174 Ų174118.5 Ų118.591%0.91178%0.775SS**SBendtrans-64.6152.7170.2-58.2161.6000111.4
1251P42.9Very low38.3Very low123 Ų123118.5 Ų118.580%0.79978%0.775SS**  cis-107.9174.9-36.515.96.6000110.5
1252G33.5Very low38.2Very low83 Ų83116.5 Ų116.586%0.85677%0.773SS**  trans-86.2133.8-173.700000115.4
1253S29.1Very low37.5Very low105 Ų105116.2 Ų116.273%0.73476%0.76SS**  trans-151.8112.4157.858.80000111
1254D29.2Very low37.3Very low170 Ų170116.1 Ų116.191%0.90976%0.759SS**  trans66.1148.3160.9-52.1-30.2000122.3
1255G37.4Very low36.7Very low73 Ų73118.8 Ų118.875%0.75376%0.761SS**  trans101.981.4175.600000114.8
1256A32.1Very low35.7Very low102 Ų102119 Ų11984%0.84378%0.78SS**  88.914573.900000114.4
1257P35.5Very low35.3Very low139 Ų139119.1 Ų119.190%0.90378%0.781SS**  trans-93.1161.8-164.536.9-37.4000115.5
1258G41.1Very low34.5Very low77 Ų77119 Ų11979%0.79478%0.784SS**  trans-175.2145.9170.600000113.6
1259L31.8Very low33.9Very low177 Ų177113.7 Ų113.793%0.92778%0.78SS**  trans-102.3167.8-176.7-80.8112000114.3
1260M31.5Very low33.7Very low183 Ų183114.2 Ų114.290%0.90179%0.786SS**  trans-31.7130163.5174.3-176.370.900117.1
1261G30Very low33.9Very low74 Ų74114.8 Ų114.876%0.76379%0.786SS**  111.989.1126.700000121.1
1262A34.7Very low33.2Very low97 Ų97115.3 Ų115.380%0.80279%0.789SS**  trans179.3115.2145.600000106.5
1263K32Very low33.3Very low104 Ų104115 Ų11545%0.45279%0.787SS.*  cis80.212541.6-153.3172-168.7176.60113.6M411 G412 E1265M411-K1263 PolarHBondContact O-NZ 3.04Å; M411-K1263 VanDerWaalsContact O-NZ 3.11Å; G412-K1263 VanDerWaalsContact C-NZ 3.28Å; G412-K1263 PolarHBondContact O-NZ 2.91Å; K1263-E1265 WeakPolarHBondContact CE-OE1 3.28Å; K1263-E1265 IonicContact NZ-OE1 2.67Å
1264G40.2Very low33.4Very low59 Ų59117.3 Ų117.361%0.60879%0.786SS**  trans175.492.2-17400000111.2
1265E27.9Very low33.4Very low121 Ų121120.4 Ų120.457%0.56579%0.785SS**  trans-94.9160.2172.2-72.3160.1-137.300108.4K1263K1263-E1265 WeakPolarHBondContact CE-OE1 3.28Å; K1263-E1265 IonicContact NZ-OE1 2.67Å
1266A31.6Very low33.4Very low100 Ų100120 Ų12083%0.82678%0.78SS**  cis-166.3176.7-12.900000109.3
1267G33.3Very low33.6Very low63 Ų63123.3 Ų123.365%0.64978%0.783SS**  trans97.9126.1178.600000113.1
1268I34Very low33.5Very low166 Ų166120.9 Ų120.985%0.85176%0.763SS**  cis70.3130.517.5-41.7170.2000113.1
1269P33.3Very low33.1Very low128 Ų128120.7 Ų120.783%0.83176%0.76SS**  cis-124.8176.2-3.131.3-11.3000115.8
1270G28.8Very low33Very low80 Ų80119.2 Ų119.283%0.82575%0.752SS**  trans140.7114.1156.700000116.6
1271M41.2Very low33.8Very low186 Ų186116.2 Ų116.292%0.91675%0.747SS**  trans-96.2151.8171-59.4174.266.600110.4
1272P28.8Very low33.8Very low134 Ų134115.9 Ų115.987%0.8774%0.743SS**  -152.1170.691.239.5-22.1000116.1
1273G35.9Very low33.5Very low78 Ų78119.9 Ų119.980%0.80475%0.746SS**  trans138.995.6158.200000117.3
1274Q30.4Very low33.6Very low153 Ų153125.2 Ų125.272%0.71577%0.769SS**  trans-87.2127.5170.3-71.5162.1-80.800113D1278Q1274-D1278 PolarHBondContact NE2-OD1 2.95Å
1275R31Very low33.3Very low235 Ų235124.6 Ų124.689%0.88776%0.762SS**  -179.4145.1128-114.2166.8-80.2-159.6-7.2110
1276G35.6Very low33.9Very low63 Ų63128 Ų12865%0.64978%0.778SS**SBendcis-157.8175.8-7.800000109.3
1277L37Very low34.1Very low173 Ų173129.5 Ų129.591%0.90678%0.78SS**  cis-116.71368.7-64.1164.5000110.6
1278D33.8Very low34Very low88 Ų88129.9 Ų129.947%0.47178%0.783SS.*  trans-58.2148.5156.5-45.6-93.1000108.2Q1274 L1280Q1274-D1278 PolarHBondContact NE2-OD1 2.95Å; D1278-L1280 HydrophobicContact CB-CD2 4.45Å; D1278-L1280 HydrophobicContact CB-CG 4.42Å
1279G33Very low34.4Very low72 Ų72130.7 Ų130.774%0.74279%0.789SS**  cis120.1176.728.100000108.5
1280L28.8Very low34.4Very low146 Ų146129.5 Ų129.576%0.76478%0.78SS**  cis-141.7160.62-76.5174000110.1D1278D1278-L1280 HydrophobicContact CB-CD2 4.45Å; D1278-L1280 HydrophobicContact CB-CG 4.42Å
1281P47.7Very low34.6Very low121 Ų121128.6 Ų128.679%0.78677%0.771SS**  trans-86.2155.7178.635.3-35.6000113.4
1282G30.5Very low34.1Very low67 Ų67127.5 Ų127.569%0.69177%0.768SS**  trans79.5111.3147.800000118.2
1283Q29.2Very low34.3Very low181 Ų181125.8 Ų125.885%0.84676%0.764SS**  trans-164.2139.5147.1-116156.793.300112
1284K34.1Very low34Very low216 Ų216124.8 Ų124.894%0.93975%0.754SS**  trans-115.5120.1134.9178.9-179.2177.8-178.90105.5
1285G33.3Very low34.3Very low46 Ų46123.3 Ų123.347%0.47476%0.758SS.*  trans164.364-171.500000112.7
1286E41Very low34.4Very low193 Ų193117.7 Ų117.790%0.90275%0.752SS**  trans-63.9152146.3-66.6-179.2121.600108.3
1287P36.2Very low34.3Very low131 Ų131118.5 Ų118.585%0.85176%0.76SS**  cis-121.5159.413.139.5-27000115
1288G30Very low34.2Very low71 Ų71118 Ų11873%0.73276%0.757SS**  trans-17988.7171.300000112.4P1290G1288-P1290 WeakPolarHBondContact O-CD 3.47Å
1289L42.1Very low34.2Very low183 Ų183116.3 Ų116.396%0.95876%0.76SS**  trans-101.7111.1171-78.8166.2000110.1
1290P34.1Very low34.2Very low102 Ų102120.7 Ų120.766%0.66277%0.765SS**  trans-129.1104.3161.831.5-14.2000112.3G1288G1288-P1290 WeakPolarHBondContact O-CD 3.47Å
1291G33.2Very low34.4Very low61 Ų61123.1 Ų123.163%0.62977%0.769SS**  trans66.791.6148.600000119.2A1293G1291-A1293 PolarHBondContact O-N 2.04Å
1292I31.3Very low33.8Very low164 Ų164120.9 Ų120.984%0.84177%0.768SS**  trans-77.3108.3136.6-63.9177.7000106.4
1293A31.5Very low33.9Very low97 Ų97124.7 Ų124.780%0.80277%0.772SS**PPolyproline II helixtrans-67.1131.4164.800000108.8G1291G1291-A1293 PolarHBondContact O-N 2.04Å
1294G31.1Very low34Very low57 Ų57127.8 Ų127.859%0.58878%0.776SS**PPolyproline II helixtrans-78.4157.1-154.300000116.8
1295P36.6Very low34Very low122 Ų122120.5 Ų120.579%0.79276%0.763SS**SBendtrans-59155.6153.330.8-34.6000110
1296P33.3Very low34.5Very low117 Ų117128 Ų12876%0.7679%0.785SS**PPolyproline II helix-84130.7-110.325.5-36.2000114.2I1298P1296-I1298 PolarHBondContact O-N 3.13Å
1297G33.5Very low34.1Very low80 Ų80124.7 Ų124.783%0.82578%0.781SS**  trans-69.497.9168.200000111.6G1299G1297-G1299 PolarHBondContact O-N 2.85Å
1298I33.3Very low33.8Very low164 Ų164122 Ų12284%0.84178%0.777SS**  trans-65.8110.3158.9-68.3175.2000107.2P1296P1296-I1298 PolarHBondContact O-N 3.13Å
1299G35.3Very low33.7Very low52 Ų52128.3 Ų128.354%0.53679%0.785SS.*  trans-61.6155.6161.500000110.3G1297G1297-G1299 PolarHBondContact O-N 2.85Å
1300I32.3Very low33.3Very low164 Ų164126 Ų12684%0.84178%0.78SS**  cis-152.8141.434.1-20177.2000111.3
1301K32.8Very low33.2Very low197 Ų197124.6 Ų124.686%0.85779%0.785SS**  trans55.3112.6142.7-175.2179.6-176.5178.90118.9
1302G36Very low33Very low74 Ų74130 Ų13076%0.76380%0.798SS**  trans178.195.7167.100000112.3
1303D31.8Very low33Very low146 Ų146127.8 Ų127.878%0.78180%0.795SS**  trans-55.6146.3-167.4-54.2-68.1000117.5
1304R30.9Very low33.4Very low246 Ų246126.9 Ų126.993%0.92880%0.795SS**  trans58.8103.8132.2-171.8-173.7-167.8168.43.9118.8
1305G34.4Very low33.5Very low64 Ų64134.3 Ų134.366%0.6681%0.811SS**  trans167.4103.9152.100000116.3
1306E43.7Very low33.6Very low202 Ų202132.3 Ų132.394%0.94481%0.812SS**  trans-74.4118.7134.4-68.7-176.8116.800106.5
1307P33.4Very low33.6Very low125 Ų125133.4 Ų133.481%0.81281%0.811SS**  -150.3163.3129.337.6-22.6000114.5
1308G29.9Very low34Very low75 Ų75134.9 Ų134.977%0.77381%0.806SS**  trans122.4118.7141.300000116.9
1309F27.4Very low34.5Very low202 Ų202130.7 Ų130.789%0.88680%0.804SS**SBendtrans-64.2164.2157.1-82.6-107000111G1311F1309-G1311 PolarHBondContact O-N 2.82Å
1310P34.2Very low34.2Very low134 Ų134135.5 Ų135.587%0.8781%0.81SS**  trans-58.3101179.9-25.635.9000114
1311G31.9Very low34.7Very low74 Ų74133.3 Ų133.376%0.76381%0.806SS**  trans-90.2134.4179.500000114F1309F1309-G1311 PolarHBondContact O-N 2.82Å
1312L28.6Very low34.8Very low173 Ų173127.4 Ų127.491%0.90680%0.801SS**  trans-72.5169178.3-83.7158.7000113
1313P32Very low35.3Very low119 Ų119130.2 Ų130.277%0.77381%0.806SS**  -108.9162.9-127.640.3-39.4000117.5
1314G39.5Very low35.4Very low77 Ų77133.4 Ų133.479%0.79481%0.813SS**  trans-141.362.6-17700000116.8
1315K33.7Very low35.7Very low213 Ų213125 Ų12593%0.92680%0.803SS**  trans10.4114.1161.9-62.2174.8-179.4174.80119.2
1316G38.7Very low35.9Very low80 Ų80129.8 Ų129.883%0.82581%0.814SS**  trans-155.672.217000000113.4
1317L33.3Very low35.8Very low140 Ų140131.3 Ų131.373%0.73381%0.811SS**SBendtrans-39.7150.1-172.8-64.1157.2000116.9F1320L1317-F1320 HydrophobicContact CD2-CE2 3.58Å; L1317-F1320 HydrophobicContact CD2-CZ 3.54Å
1318P41.1Very low36Very low111 Ų111129 Ų12972%0.72181%0.809SS**  cis-126.678.213.938.3-20.7000114F1320P1318-F1320 HydrophobicContact CB-CD2 4.01Å; P1318-F1320 HydrophobicContact CB-CE2 3.94Å
1319G44.1Very low36.2Very low76 Ų76132.9 Ų132.978%0.78481%0.812SS**  trans-82.2117.6165.100000111.5
1320F28.4Very low36.6Very low154 Ų154131.1 Ų131.168%0.67581%0.812SS**  trans-149.6151.2-176.8-73.2-83.5000111.7L1317 P1318L1317-F1320 HydrophobicContact CD2-CE2 3.58Å; L1317-F1320 HydrophobicContact CD2-CZ 3.54Å; P1318-F1320 HydrophobicContact CB-CD2 4.01Å; P1318-F1320 HydrophobicContact CB-CE2 3.94Å
1321P43.8Very low36.8Very low117 Ų117128.7 Ų128.776%0.7681%0.811SS**  cis-138.3124.7-3632.5-14000114.9
1322G34.3Very low37Very low73 Ų73129.8 Ų129.875%0.75381%0.813SS**  trans63.3107.3132.200000121.4
1323P47Very low37.7Very low134 Ų134127.3 Ų127.387%0.8781%0.807SS**  trans-86.3116.4151.433-27.9000111
1324K33.3Very low37.9Very low212 Ų212125 Ų12592%0.92280%0.804SS**  trans-161.8137.5161-169.4171.5-176.4178.10111.5
1325G37.4Very low37.7Very low70 Ų70128 Ų12872%0.72281%0.808SS**  trans153.868.216900000114.3R1327G1325-R1327 PolarHBondContact O-N 3.43Å
1326D38.3Very low38.3Very low164 Ų164123.6 Ų123.688%0.87780%0.8SS**  trans-67.8121.8173.2-68.4-69.1000111.7
1327R42.2Very low38.3Very low234 Ų234122.9 Ų122.988%0.88379%0.793SS**  trans5087.4156-160.5176.4-167.8168.73.9117.9G1325G1325-R1327 PolarHBondContact O-N 3.43Å
1328G38.1Very low38.5Very low76 Ų76124.7 Ų124.778%0.78480%0.8SS**PPolyproline II helixtrans-95.1155.7150.500000111.7
1329L32.9Very low38.2Very low157 Ų157128.4 Ų128.482%0.82281%0.805SS**PPolyproline II helixtrans-97.4171.7175.8-77.4162.5000111.8
1330D35.8Very low38.1Very low166 Ų166128.7 Ų128.789%0.88881%0.808SS**PPolyproline II helixtrans-59.7148.3-170.7-56.5-83.7000115.8
1331G39.2Very low38.6Very low82 Ų82125.4 Ų125.485%0.84580%0.804SS**  trans-172.998.317400000112.7
1332A36.1Very low38.5Very low98 Ų98127.4 Ų127.481%0.8181%0.808SS**  trans-96.2-164.217500000110.1
1333P43.1Very low38.7Very low120 Ų120127.2 Ų127.278%0.77981%0.807SS**  cis-138.7159-11.738.2-20.2000116.8
1334G36Very low38.6Very low70 Ų70130.7 Ų130.772%0.72281%0.808SS**  trans73.5-177.9142.800000119.4
1335V35.9Very low39Very low142 Ų142127 Ų12786%0.86181%0.806SS**  cis-165.5-166.5-15.5-99.70000107.2
1336P45.5Very low38.9Very low119 Ų119126.8 Ų126.877%0.77380%0.804SS**  -130-179.3-72.141.5-25.6000114.5
1337G39.4Very low38.9Very low66 Ų66123.8 Ų123.868%0.6880%0.802SS**  trans149.7106.5165.100000111
1338M35.8Very low39Very low178 Ų178119 Ų11988%0.87780%0.801SS**  cis62.9137.349.1-50.1-171.976.100112.4
1339K36.6Very low39Very low189 Ų189119.2 Ų119.282%0.82280%0.804SS**  cis-152.4152.524.1-179.5-176.9176-174.20111.4
1340G41Very low38.8Very low82 Ų82120.3 Ų120.385%0.84581%0.807SS**  trans176.494.816900000112.2
1341S39Very low38.5Very low85 Ų85122.1 Ų122.159%0.59481%0.806SS**  trans-132.6162.8-176.855.80000110.8
1342D41.5Very low38.5Very low158 Ų158121.8 Ų121.885%0.84580%0.803SS**  157.2144.6128.1-73.1-9.8000110.4
1343G38.6Very low38.4Very low70 Ų70126.4 Ų126.472%0.72281%0.808SS**  cis-159.2162.4-0.200000114.2
1344F44.6Very low37.7Very low206 Ų206125.8 Ų125.890%0.90481%0.813SS**  trans-89.9157.3170.9-67.7-108.4000109.8
1345P41.8Very low37.5Very low135 Ų135126 Ų12688%0.87782%0.815SS**  -148.9166.489.537.4-19.5000114.5
1346G36.3Very low37.9Very low65 Ų65129.1 Ų129.167%0.6782%0.818SS**  cis176.4149.8-10.300000113.9
1347A37.2Very low37.4Very low101 Ų101129.6 Ų129.684%0.83582%0.821SS**  trans70.8177.1130.600000119.4
1348P43.9Very low37Very low134 Ų134129.6 Ų129.687%0.8782%0.821SS**  -130.3169.2-100.935.4-15.8000115.8
1349G38.2Very low37.5Very low81 Ų81124.7 Ų124.784%0.83580%0.804SS**  trans-158130174.300000113.5
1350M29.4Very low37.5Very low180 Ų180119.4 Ų119.489%0.88779%0.789SS**  trans-105.6160.4-167.4-61.1164.555.800114.7
1351K29.7Very low37.2Very low203 Ų203117 Ų11788%0.88377%0.765SS**  trans79.5129.4140-168.6174.8-177176.10119.6
1352G38.1Very low37Very low76 Ų76117.8 Ų117.878%0.78476%0.759SS**  trans170.583.9167.400000112.8
1353E33.9Very low36.6Very low194 Ų194120.4 Ų120.491%0.90776%0.757SS**  trans-104.9173.3177.8-70.4-176.911400112.8
1354A30.1Very low36.4Very low108 Ų108120.2 Ų120.289%0.89376%0.755SS**  trans76.9136.3175.900000116.9
1355G31.8Very low35.7Very low74 Ų74118.4 Ų118.476%0.76375%0.754SS**  cis-179.5168.9-6.500000114.9
1356F42.7Very low35.2Very low208 Ų208119.5 Ų119.591%0.91275%0.752SS**  trans-65.1154.2156.3-70.9-88.9000108.8
1357P35.5Very low35Very low129 Ų129119.7 Ų119.784%0.83875%0.754SS**  -154.6-169.951.543.7-22.6000117.4
1358G31.4Very low34.9Very low66 Ų66123 Ų12368%0.6876%0.756SS**  trans105.1124.9145.900000117.3
1359S46.8Very low34.9Very low75 Ų75122.6 Ų122.652%0.52475%0.753SS.*  trans-115.9138.1169.462.20000110.6V506 G507V506-S1359 CarbonylContact C-O 3.5Å; G507-S1359 VanDerWaalsContact CA-O 3.29Å; G507-S1359 WeakPolarHBondContact CA-O 3.46Å; G507-S1359 PolarHBondContact N-O 3.46Å
1360P36.4Very low34.9Very low77 Ų77122.2 Ų122.250%0.575%0.75SS.*  trans-141.7147.5165.320.92.7000120.4V506 K508V506-P1360 CarbonylContact O-C 3.55Å; V506-P1360 WeakPolarHBondContact O-CA 3.42Å; V506-P1360 WeakPolarHBondContact O-CB 3.34Å; K508-P1360 VanDerWaalsContact CD-O 3.25Å; K508-P1360 WeakPolarHBondContact CD-O 3.47Å; K508-P1360 VanDerWaalsContact CE-O 3.29Å; K508-P1360 WeakPolarHBondContact CE-O 3.3Å; K508-P1360 VanDerWaalsContact CG-O 3.31Å; K508-P1360 WeakPolarHBondContact CG-O 3.07Å
1361G34.8Very low35.7Very low33 Ų33119.7 Ų119.734%0.3475%0.747SS.*  trans100.397.8136.500000121V506 G507 K508V506-G1361 PolarHBondContact O-N 3.2Å; G507-G1361 VanDerWaalsContact C-N 3.29Å; G507-G1361 PolarHBondContact O-N 2.62Å; G507-G1361 VanDerWaalsContact O-N 3.15Å; K508-G1361 WeakPolarHBondContact CE-O 3.35Å; K508-G1361 VanDerWaalsContact CG-O 3.28Å; K508-G1361 WeakPolarHBondContact CG-O 3.32Å
1362E33.9Very low35.9Very low101 Ų101120 Ų12047%0.47275%0.748SS.*  trans-82.5155.1142-100.5-166.1-122.300109K509K509-E1362 WeakPolarHBondContact CD-OE1 3.26Å
1363R33.2Very low36Very low213 Ų213119.9 Ų119.980%0.80475%0.747SS**  cis-143.4165.66.4-171.9175.1-64.3146.87.6109.5
1364G35.7Very low36.1Very low65 Ų65119.9 Ų119.967%0.6775%0.747SS**  trans-94.5-178.4178.200000115.7
1365L29.8Very low36.3Very low169 Ų169120 Ų12089%0.88575%0.748SS**  trans-158.6167.3152.3-103.1170.4000109.1
1366D29.8Very low36.6Very low157 Ų157120.1 Ų120.184%0.8475%0.749SS**  trans-80.3166.3-164.7-48.7-86000115.7
1367G33.5Very low36.3Very low70 Ų70118.3 Ų118.372%0.72275%0.747SS**  trans-165.2-4.1-174.800000125.6
1368I34.8Very low36.7Very low170 Ų170117.5 Ų117.587%0.87274%0.741SS**  trans64.9-173.2164.4-10.8-177.2000116.9
1369P43.8Very low37.1Very low125 Ų125117.9 Ų117.981%0.81275%0.745SS**  -134.3-171.5-115.447.5-29.6000118.6
1370G38.8Very low36.5Very low74 Ų74122 Ų12276%0.76376%0.761SS**  trans-172126.6161.800000114.9
1371P45.2Very low37.1Very low127 Ų127124.4 Ų124.483%0.82578%0.776SS**  trans-127.6171-173.742.9-31.9000116.7
1372K34.2Very low37.1Very low210 Ų210126.4 Ų126.491%0.91380%0.797SS**  150.1142.2128.4-175.5170.7-178.1179.80114.2
1373G39.9Very low37.2Very low73 Ų73126 Ų12675%0.75381%0.811SS**  trans173.6107.9161.200000113.8
1374E35.1Very low37.2Very low194 Ų194123.6 Ų123.691%0.90781%0.809SS**  trans-139.8163.7175.5-84.3-166135.200111.4
1375A35.4Very low37.6Very low111 Ų111124.3 Ų124.392%0.91782%0.816SS**  trans104.8137.5176.500000115.2
1376G37.4Very low37.8Very low75 Ų75123.9 Ų123.977%0.77381%0.81SS**  cis-165.1-158.4400000115.7
1377I36.2Very low38.2Very low170 Ų170121 Ų12187%0.87281%0.808SS**  trans-145.3170.2-171.812.4171000108.3
1378P44.6Very low38.7Very low112 Ų112121.2 Ų121.273%0.72781%0.81SS**  cis-129.9-168.8-18.737.5-19.5000112.7
1379G39.7Very low39.1Very low74 Ų74120.4 Ų120.476%0.76381%0.807SS**  trans-135.6147.4160.800000110.9
1380L34.3Very low39.4Very low163 Ų163118.7 Ų118.785%0.85380%0.795SS**  trans-132.1166.1-170-81.3168.5000112.6
1381P48.3Very low39.3Very low126 Ų126116.5 Ų116.582%0.81877%0.773SS**  trans-128178.2-140.144.6-33.1000117.3
1382G35.8Very low39.1Very low76 Ų76118.3 Ų118.378%0.78477%0.773SS**  trans142.5151.8165.500000113
1383A35.1Very low39.3Very low93 Ų93113.7 Ų113.777%0.76975%0.754SS**  cis-158.1143.7-11.300000112.4
1384Q34.2Very low39.7Very low161 Ų161111.9 Ų111.975%0.75274%0.736SS**  trans45.9134.7133-160.8163.5-900122.8E1386Q1384-E1386 HydrophobicContact CG-CG 4.25Å; Q1384-E1386 PolarHBondContact NE2-OE1 3.42Å
1385G44.6Very low39.4Very low80 Ų80106.7 Ų106.783%0.82572%0.719SS**  trans-147.5134.5160.300000110.5
1386E33.9Very low39.3Very low160 Ų160106 Ų10675%0.74871%0.705SS**  trans-121.7162.9-171.4-73.1-178.1166.300110.5Q1384Q1384-E1386 HydrophobicContact CG-CG 4.25Å; Q1384-E1386 PolarHBondContact NE2-OE1 3.42Å
1387A38.4Very low39.4Very low96 Ų96106 Ų10679%0.79371%0.705SS**  cis-163.6167.2-21.900000108.4
1388G42.7Very low39.1Very low75 Ų75107 Ų10777%0.77371%0.708SS**  trans-150.9121.9174.200000112
1389L43.4Very low39Very low154 Ų154107.9 Ų107.981%0.80671%0.714SS**  trans-161.6175.4-168.4-80.3177.3000108.1
1390P51.2Low38.6Very low88 Ų88107.6 Ų107.657%0.57171%0.711SS**  cis-131.9179.3-22.430.9-10.7000113.6P231P231-P1390 HydrophobicContact CB-CB 4.23Å
1391G36.6Very low38.8Very low29 Ų29108.1 Ų108.130%0.29971%0.714SS.*  trans139124161.500000112.2E228 P229 G230E228-G1391 CarbonylContact C-O 3.24Å; E228-G1391 CarbonylContact O-C 3.42Å; P229-G1391 CarbonylContact C-O 3.58Å; P229-G1391 WeakPolarHBondContact CA-O 3.36Å; P229-G1391 CarbonylContact O-C 3.59Å; P229-G1391 PolarHBondContact O-N 3.2Å; G230-G1391 CarbonylContact O-C 3.54Å; G230-G1391 WeakPolarHBondContact O-CA 3.38Å; G230-G1391 PolarHBondContact O-N 3.26Å
1392M39.4Very low38.4Very low164 Ų164107.6 Ų107.681%0.80871%0.711SS**BIsolated β-bridgecis-117.5164.310.1-75.5-170.569.900116.1E228 P229 G230E228-M1392 PolarHBondContact O-N 3.46Å; P229-M1392 CarbonylContact C-O 3.38Å; G230-M1392 PolarHBondContact N-O 3.34Å; G230-M1392 CarbonylContact O-C 3.25Å; G230-M1392 WeakPolarHBondContact O-CA 3.49Å; G230-M1392 PolarHBondContact O-N 2.96Å
1393E39.4Very low38.1Very low113 Ų113107.5 Ų107.553%0.52871%0.71SS.*  trans-79.9150.8-144.1-169.9169.8-73.800116.8G230 P231G230-E1393 WeakPolarHBondContact O-CA 3.5Å; G230-E1393 PolarHBondContact O-N 2.65Å; G230-E1393 VanDerWaalsContact O-N 3.11Å; P231-E1393 HydrophobicContact CG-CG 4.42Å; P231-E1393 WeakPolarHBondContact O-CG 3.14Å
1394G47.2Very low37.9Very low35 Ų35111.7 Ų111.736%0.36172%0.715SS.*BIsolated β-bridgetrans-109.8118.2164.100000113.8P231 V232 G233P231-G1394 PolarHBondContact O-N 2.91Å; V232-G1394 WeakPolarHBondContact CA-O 3.48Å; G233-G1394 PolarHBondContact N-O 3.39Å
1395P30.1Very low37.7Very low86 Ų86113.5 Ų113.556%0.55872%0.721SS**  trans-123.4-167.816544.1-32000110.2
1396P32.9Very low37.4Very low96 Ų96112.6 Ų112.662%0.62371%0.711SS**  -121.1-178.5-102.226.5-3.8000113.5
1397G39.1Very low37.3Very low75 Ų75112 Ų11277%0.77371%0.714SS**  trans-71148.2-174.200000115.2
1398M29.2Very low37.1Very low191 Ų191114.4 Ų114.494%0.94172%0.718SS**  trans-110.3119.3166.8-77.3-171.9131.400111.3
1399P44.5Very low36.7Very low130 Ų130113.7 Ų113.784%0.84471%0.71SS**  trans-78.7159.1158.6-7.925.8000111.5
1400G30Very low36Very low68 Ų68114.5 Ų114.570%0.70172%0.715SS**  trans98.184.2147.900000119.2
1401L37.9Very low35.2Very low174 Ų174115.7 Ų115.791%0.91172%0.723SS**  trans61.9-170.2152.9-68.2170.8000115
1402P40.8Very low35.2Very low116 Ų116117.2 Ų117.275%0.75374%0.738SS**  -123.1147.2-55.429.5-17000114.5
1403G30.1Very low34.8Very low74 Ų74119 Ų11976%0.76374%0.742SS**  trans91118.3133.200000120.9
1404M30.3Very low35Very low180 Ų180119.4 Ų119.489%0.88775%0.754SS**  trans-143.6136.2146.4-63.4-172.37800105
1405K30.5Very low34.3Very low199 Ų199121.2 Ų121.287%0.86577%0.772SS**  cis62.1113.116.9-159.2-176.7-180-172.60116.2
1406G37.3Very low34.5Very low61 Ų61125.7 Ų125.763%0.62979%0.79SS**  trans98.681.8176.200000111
1407N31.7Very low34.6Very low149 Ų149128.2 Ų128.280%0.79779%0.792SS**  cis72.1134.948.2-649.2000114.9
1408V33.8Very low34.3Very low145 Ų145128 Ų12888%0.87979%0.789SS**  trans67.9117.4172.6-161.80000114.3
1409G34.6Very low34.5Very low60 Ų60126.5 Ų126.562%0.61978%0.78SS**  cis111.9130.4-6.200000114.3
1410L29.2Very low34.3Very low172 Ų172126.1 Ų126.190%0.90178%0.777SS**  trans-133.3157.1168.2-108.799.7000109.2
1411P33.7Very low34.8Very low113 Ų113126.1 Ų126.173%0.73478%0.777SS**  -137.3-174.5-105.938.7-20.1000114.8
1412G36.8Very low34.5Very low60 Ų60126.5 Ų126.562%0.61977%0.772SS**  trans91.682.717200000112.6
1413F32.3Very low34.5Very low203 Ų203127 Ų12789%0.8978%0.775SS**  58.2149.177-68-61000115.2
1414P42.6Very low35.1Very low121 Ų121127.2 Ų127.279%0.78678%0.778SS**  cis-129.8156.5-21.734.1-17.2000113.8
1415G33.6Very low35.3Very low72 Ų72124 Ų12474%0.74277%0.773SS**  trans-95.6152.5168.800000112.9K1417G1415-K1417 PolarHBondContact O-N 3.37Å
1416L34.4Very low35.8Very low180 Ų180121 Ų12194%0.94277%0.774SS**  trans-9385.2173.9-83.6171.3000112.8
1417K33.7Very low35.8Very low150 Ų150121.7 Ų121.765%0.65278%0.781SS**  trans43.594.7132.2-165.2-168.4176.5-144.80118.2G1415 E1419G1415-K1417 PolarHBondContact O-N 3.37Å; K1417-E1419 WeakPolarHBondContact CE-OE1 3.28Å; K1417-E1419 IonicContact NZ-OE1 3.6Å; K1417-E1419 PolarHBondContact NZ-OE1 3.49Å
1418G34.3Very low35.8Very low70 Ų70119.3 Ų119.372%0.72278%0.782SS**PPolyproline II helixtrans-83.2156.8138.700000110.5
1419E33.1Very low36.1Very low159 Ų159118.9 Ų118.974%0.74378%0.782SS**PPolyproline II helixtrans-91.5133-171.9-55.8-153.8120.700113.7K1417K1417-E1419 WeakPolarHBondContact CE-OE1 3.28Å; K1417-E1419 IonicContact NZ-OE1 3.6Å; K1417-E1419 PolarHBondContact NZ-OE1 3.49Å
1420P40.5Very low36.3Very low122 Ų122119.6 Ų119.679%0.79279%0.79SS**PPolyproline II helixtrans-74.7149.8179.8-18.432.6000115
1421G38.9Very low36.7Very low68 Ų68116.1 Ų116.170%0.70179%0.786SS**PPolyproline II helixtrans-88165.5167.800000113.8
1422F31.7Very low37Very low183 Ų183115.9 Ų115.980%0.80379%0.794SS**PPolyproline II helixtrans-81.2136.9-174.6-72.1-101.2000113.5
1423P42Very low37.2Very low125 Ų125116.6 Ų116.681%0.81280%0.801SS**PPolyproline II helixtrans-76.4152.6164.7-13.630.2000112.9
1424G42.7Very low37.3Very low80 Ų80116 Ų11683%0.82580%0.803SS**PPolyproline II helixtrans-86.6171.3177.800000115.1
1425S34.5Very low36.9Very low111 Ų111118.1 Ų118.178%0.77680%0.8SS**PPolyproline II helixtrans-89.8160.4-175.343.60000114.6
1426P41Very low37.1Very low136 Ų136117.5 Ų117.588%0.88379%0.794SS**  trans-105.9170.7-163.410.312.9000114.8
1427G37.4Very low37.3Very low76 Ų76116.7 Ų116.778%0.78479%0.785SS**  trans-116.2130.5179.200000115.9
1428A30.8Very low37.8Very low99 Ų99116 Ų11682%0.81880%0.796SS**  trans38.9111.4150.800000122.7
1429P39.5Very low37.9Very low136 Ų136115.4 Ų115.488%0.88379%0.79SS**  trans-85164.7142.710.49.4000110.5
1430G39.7Very low38.3Very low76 Ų76118 Ų11878%0.78480%0.799SS**  cis169.9-159.117.800000107.2
1431A38.1Very low38.7Very low98 Ų98118.3 Ų118.381%0.8180%0.801SS**  cis-170.9173.8-4.200000112.1
1432A40Very low38.8Very low109 Ų109118.1 Ų118.190%0.90180%0.799SS**  trans72.6156149.200000121.9
1433G41.2Very low39Very low74 Ų74117.5 Ų117.576%0.76380%0.803SS**  cis160.9-178.9-9.300000117.1
1434M33.7Very low38.8Very low192 Ų192121.2 Ų121.295%0.94680%0.801SS**  trans-175.4163170.3-101.3178.5-173.100108.2
1435K34.9Very low38.6Very low164 Ų164120.4 Ų120.471%0.71379%0.792SS**  cis76.413213.3-165.4167.9-174.6170.80119.3E1437K1435-E1437 WeakPolarHBondContact CE-OE2 3.32Å; K1435-E1437 IonicContact NZ-OE2 3.65Å; K1435-E1437 PolarHBondContact NZ-OE2 2.85Å
1436G37.8Very low38.7Very low60 Ų60122.5 Ų122.562%0.61979%0.793SS**  cis130.1157.6-13.400000117.7
1437E37.5Very low38.5Very low163 Ų163123 Ų12376%0.76279%0.788SS**  trans83.3159.2175-60.6-172.3128.300118.6K1435K1435-E1437 WeakPolarHBondContact CE-OE2 3.32Å; K1435-E1437 IonicContact NZ-OE2 3.65Å; K1435-E1437 PolarHBondContact NZ-OE2 2.85Å
1438P43.7Very low38.5Very low135 Ų135123.2 Ų123.288%0.87779%0.791SS**  cis-111.9-148.75.145.5-34.2000113.8
1439G36.7Very low38.8Very low58 Ų58124 Ų12460%0.59880%0.797SS**  cis-176.6-170.67.700000115.3
1440F42.5Very low38.7Very low214 Ų214125.8 Ų125.894%0.93979%0.791SS**  trans-152.5-179-172.2-77.1-70.7000111.5
1441P48Very low38.6Very low128 Ų128125.2 Ų125.283%0.83179%0.786SS**  cis-132.1-148.610.548.4-29.1000113
1442G41.1Very low38.4Very low64 Ų64126.5 Ų126.566%0.6678%0.779SS**  cis162.7-172.3-4.100000115.2
1443L36.3Very low38.1Very low169 Ų169131.2 Ų131.289%0.88578%0.779SS**  trans90.3147.2160.9-52.6178000121.6
1444R37.5Very low37.7Very low204 Ų204131 Ų13177%0.7778%0.777SS**  cis-174.8150.9-22.5172170.7-179-158.6-2113.5
1445G39.2Very low37.8Very low62 Ų62131.9 Ų131.964%0.63978%0.779SS**  trans149.6150.8144.800000116.7
1446I37.1Very low37.9Very low155 Ų155132.8 Ų132.880%0.79579%0.788SS**  cis-150.7-170-20.4-22.9174.2000109.1
1447D36.7Very low38.3Very low146 Ų146133 Ų13378%0.78179%0.79SS**  trans-101.1164.3-153.8-50.4-71000119.1
1448G35.7Very low38.3Very low81 Ų81131.8 Ų131.884%0.83580%0.797SS**  trans137.6135.8161.600000114.8
1449A38.7Very low38.2Very low115 Ų115133.3 Ų133.395%0.9579%0.794SS**  cis-146.5-171.92.700000112.2
1450K37.1Very low38Very low174 Ų174134.1 Ų134.176%0.75780%0.802SS**  trans-129.6144.5-162.3176.9-159.9170.8-113.10114.5D1452K1450-D1452 VanDerWaalsContact CE-OD1 3.23Å; K1450-D1452 WeakPolarHBondContact CE-OD1 3.38Å; K1450-D1452 VanDerWaalsContact NZ-CG 3.27Å; K1450-D1452 IonicContact NZ-OD1 2.7Å; K1450-D1452 PolarHBondContact NZ-OD1 2.87Å; K1450-D1452 IonicContact NZ-OD2 2.78Å; K1450-D1452 PolarHBondContact NZ-OD2 3.08Å
1451G38.3Very low38.1Very low65 Ų65128.7 Ų128.767%0.6779%0.789SS**  trans133153.6141.800000116.5
1452D33.3Very low37.6Very low125 Ų125128.9 Ų128.967%0.66879%0.79SS**  cis-164148.5-15.5-111.6-16.6000110.7K1450K1450-D1452 VanDerWaalsContact CE-OD1 3.23Å; K1450-D1452 WeakPolarHBondContact CE-OD1 3.38Å; K1450-D1452 VanDerWaalsContact NZ-CG 3.27Å; K1450-D1452 IonicContact NZ-OD1 2.7Å; K1450-D1452 PolarHBondContact NZ-OD1 2.87Å; K1450-D1452 IonicContact NZ-OD2 2.78Å; K1450-D1452 PolarHBondContact NZ-OD2 3.08Å
1453K34.4Very low37.4Very low208 Ų208129 Ų12990%0.90479%0.791SS**  trans60.3121.3144.6-165.4-179.6-175.1-177.90122.6
1454G32.7Very low37.7Very low70 Ų70127 Ų12772%0.72279%0.789SS**  trans113.9147.1131.600000116.5
1455E35.2Very low37.7Very low209 Ų209122.9 Ų122.998%0.97778%0.776SS**  cis-117.4-168.411.5-65.2-165114.600114.5
1456M36.1Very low37.6Very low183 Ų183124.6 Ų124.690%0.90178%0.778SS**  trans-126.7136.4-165.7176.4173.562.200110
1457G47.4Very low37.6Very low66 Ų66124.6 Ų124.668%0.6878%0.778SS**  trans-80.9178.7178.800000113.9
1458P36.1Very low37.7Very low137 Ų137124.1 Ų124.189%0.8978%0.78SS**  trans-96.2135.8169.134.1-29.6000112.9
1459M43.1Very low37.8Very low166 Ų166128.9 Ų128.982%0.81878%0.781SS**  trans-88.3146.4174164.9-176.164.300111.2
1460G32.2Very low38.1Very low75 Ų75129.1 Ų129.177%0.77377%0.773SS**  trans-100.5110.9166.800000111.9
1461P43.8Very low38.2Very low101 Ų101124.4 Ų124.466%0.65677%0.773SS**PPolyproline II helixtrans-80.8155.7176.132.8-34.7000112.6
1462P37.3Very low38.7Very low131 Ų131127.5 Ų127.585%0.85178%0.782SS**PPolyproline II helixtrans-76144.4178.131.7-35.2000112.6
1463G38.3Very low38.9Very low67 Ų67130.9 Ų130.969%0.69180%0.796SS**PPolyproline II helixtrans-96.3149.9-173.500000116
1464P41.7Very low39.3Very low128 Ų128123.7 Ų123.783%0.83178%0.781SS**  trans-90.8176.6163.138.2-33.3000111.8
1465K37.8Very low40.2Very low116 Ų116126.6 Ų126.650%0.50479%0.787SS.*  trans-114138.7-155.1-45.7-177-175.5166.50116.6K368 D370K368-K1465 PolarHBondContact O-NZ 3.37Å; D370-K1465 HydrophobicContact CB-CD 4.4Å; D370-K1465 HydrophobicContact CB-CG 4.24Å; D370-K1465 WeakPolarHBondContact OD2-CB 3.35Å; D370-K1465 VanDerWaalsContact OD2-CG 3.32Å; D370-K1465 WeakPolarHBondContact OD2-CG 3.3Å
1466S36.9Very low40.7Very low98 Ų98122.9 Ų122.969%0.68578%0.781SS**  trans83.6141136.583.40000122.5
1467I36.6Very low41.1Very low156 Ų156117.7 Ų117.780%0.877%0.774SS**  trans93138.2153.9-61160.2000118.1
1468V38.7Very low40.6Very low136 Ų136121.2 Ų121.282%0.82478%0.783SS**  trans85.4104.7179.2-160.60000118.7
1469E37.5Very low40.9Very low180 Ų180126.6 Ų126.684%0.84179%0.785SS**  trans-96.4174.7151.9-107-172.4131.100109.3
1470P46.4Very low41.2Very low121 Ų121121.1 Ų121.179%0.78677%0.772SS**  cis-133.9-178.6-18.737.5-19.7000113.6
1471G37.8Very low41.8Very low74 Ų74123.4 Ų123.476%0.76377%0.773SS**  trans168.7128.8166.700000115.5
1472P50.6Low42.3Very low131 Ų131124.9 Ų124.985%0.85178%0.782SS**  trans-115.7159.9-170.340.9-33.5000116.4
1473M35.9Very low42.7Very low195 Ų195121.9 Ų121.996%0.96178%0.776SS**  trans151.6134.5145.4-179.3166.263.100110.2
1474G43Very low42.6Very low58 Ų58127 Ų12760%0.59879%0.786SS**  cis-172.4165.8-6.600000111.7
1475P52.9Low43.1Very low131 Ų131126.9 Ų126.985%0.85179%0.786SS**  trans-90.1127.1-176.133.9-32.3000112.8
1476P45.6Very low43.5Very low130 Ų130124.6 Ų124.684%0.84480%0.795SS**  -144.7162.2115.735.9-20.9000113.8
1477G42.8Very low43.5Very low74 Ų74127.9 Ų127.976%0.76380%0.803SS**  cis-162.7165.61.400000112.9
1478T37.5Very low44.5Very low141 Ų141126.3 Ų126.387%0.86580%0.803SS**PPolyproline II helixtrans-73.9130.8-174.449.50000113
1479R41.9Very low45Very low249 Ų249122.6 Ų122.694%0.9479%0.792SS**PPolyproline II helixtrans-82.7121160.1-168.9172.3-175.3170.81.7109
1480G50.5Low45.6Very low51 Ų51120.6 Ų120.653%0.52679%0.794SS.*PPolyproline II helixtrans-67.6165.9-176.500000114.3
1481P44.7Very low45.5Very low123 Ų123120.5 Ų120.580%0.79979%0.794SS**PPolyproline II helixtrans-67.7137-178.528.6-34.8000111.7G1483P1481-G1483 PolarHBondContact O-N 2.91Å
1482P54.1Low45.8Very low132 Ų132120.9 Ų120.986%0.85780%0.798SS**PPolyproline II helixtrans-58126.7162.2-21.834.1000109.9
1483G45.5Very low45.7Very low69 Ų69123.6 Ų123.671%0.71180%0.801SS**PPolyproline II helixtrans-70.2155.5-170.100000114.5P1481 P1485P1481-G1483 PolarHBondContact O-N 2.91Å; G1483-P1485 WeakPolarHBondContact O-CD 3.42Å
1484L36Very low45.6Very low174 Ų174122.5 Ų122.591%0.91180%0.799SS**PPolyproline II helixtrans-62.7125.1171.2-71.3163.9000110.5G1486L1484-G1486 PolarHBondContact O-N 3.23Å
1485P51.8Low45.2Very low126 Ų126122.9 Ų122.982%0.81880%0.803SS**PPolyproline II helixtrans-62.3126.1163.7-20.233.8000109.7G1483G1483-P1485 WeakPolarHBondContact O-CD 3.42Å
1486G46.2Very low45Very low68 Ų68125.3 Ų125.370%0.70181%0.808SS**PPolyproline II helixtrans-68.1151.5-175.400000113.6L1484 P1488L1484-G1486 PolarHBondContact O-N 3.23Å; G1486-P1488 VanDerWaalsContact O-CD 3.28Å; G1486-P1488 WeakPolarHBondContact O-CD 3.42Å
1487I37.3Very low45.1Very low167 Ų167125 Ų12586%0.85681%0.806SS**PPolyproline II helixtrans-71.7119.7179.8-57.2168.9000110
1488P57.5Low44.8Very low123 Ų123124.9 Ų124.980%0.79980%0.804SS**PPolyproline II helixtrans-75.9123.7164.5-9.828.7000109.1G1486G1486-P1488 VanDerWaalsContact O-CD 3.28Å; G1486-P1488 WeakPolarHBondContact O-CD 3.42Å
1489G49.6Very low44.8Very low57 Ų57127.8 Ų127.859%0.58881%0.806SS**PPolyproline II helixtrans-71.8160.1177.200000113P1491G1489-P1491 WeakPolarHBondContact O-CD 3.47Å
1490P49.6Very low45.1Very low138 Ų138122 Ų12290%0.89680%0.8SS**PPolyproline II helixtrans-88.4126-176.233.2-33000113.5
1491P45.8Very low44.7Very low120 Ų120122.9 Ų122.978%0.77981%0.809SS**  trans-125137.9169.123.2-1.3000113.4G1489G1489-P1491 WeakPolarHBondContact O-CD 3.47Å
1492G43.4Very low44.2Very low81 Ų81125.6 Ų125.684%0.83581%0.811SS**  trans77.497.1157.400000117.4
1493M48Very low43.4Very low188 Ų188129.5 Ų129.593%0.92682%0.815SS**  trans-88.1120.7145.5-68.9177.466.500107.8
1494D34Very low43.3Very low173 Ų173128.8 Ų128.893%0.92581%0.808SS**  trans-164.7148.7154.4-114.9-32.4000112.4
1495G35.9Very low43.2Very low65 Ų65127.9 Ų127.967%0.6780%0.799SS**  trans77.2108.9168.700000117.7P1497G1495-P1497 WeakPolarHBondContact O-CD 3.2Å
1496L47.2Very low43.1Very low182 Ų182128.2 Ų128.295%0.95380%0.801SS**  trans-87.3117.3160-87168.2000110.1
1497P47.5Very low42.9Very low124 Ų124127.9 Ų127.981%0.80580%0.797SS**  trans-104.6105.5176.910.711.4000111.8G1495G1495-P1497 WeakPolarHBondContact O-CD 3.2Å
1498G36.4Very low42.9Very low71 Ų71127.8 Ų127.873%0.73280%0.798SS**  trans73.9118156.300000118.3
1499F38.2Very low42.3Very low203 Ų203128.5 Ų128.589%0.8980%0.8SS**PPolyproline II helixtrans-63.5132.8157.1-74.4-93.8000109.8G1501F1499-G1501 PolarHBondContact O-N 3.31Å
1500P49.2Very low42.2Very low126 Ų126129.1 Ų129.182%0.81881%0.807SS**PPolyproline II helixtrans-56.8124.2153.3-19.833.2000108
1501G42Very low42Very low70 Ų70128 Ų12872%0.72280%0.802SS**PPolyproline II helixtrans-60.1151.3-164.900000114.4F1499 K1503F1499-G1501 PolarHBondContact O-N 3.31Å; G1501-K1503 PolarHBondContact O-N 2.87Å
1502Q34.1Very low41.7Very low180 Ų180130.5 Ų130.584%0.84181%0.809SS**PPolyproline II helixtrans-52.4128.1168.3-69.6177.5-12.900109.7G1504Q1502-G1504 PolarHBondContact O-N 3.46Å; Q1502-G1504 VanDerWaalsContact O-N 3.08Å
1503K36.3Very low41.6Very low214 Ų214130 Ų13093%0.9380%0.804SS**  trans-67.8107.3156.7-174.9175.8-179.4179.90105.7G1501G1501-K1503 PolarHBondContact O-N 2.87Å
1504G43.4Very low41.7Very low55 Ų55129.8 Ų129.857%0.56781%0.805SS**  trans-57.8156.5-161.400000115Q1502Q1502-G1504 PolarHBondContact O-N 3.46Å; Q1502-G1504 VanDerWaalsContact O-N 3.08Å
1505E34.1Very low42.3Very low154 Ų154127.2 Ų127.272%0.7280%0.798SS**  trans-51.7144.5165.8-58.5176.9126.200110.1G1507E1505-G1507 PolarHBondContact O-N 2.85Å
1506P49.1Very low42.5Very low133 Ų133128 Ų12886%0.86481%0.806SS**SBendtrans-53.7113.2158.1-20.233000107.5
1507G43.1Very low42.6Very low61 Ų61125.1 Ų125.163%0.62980%0.801SS**  trans-58.6146.3-157.800000114.1E1505 T1509E1505-G1507 PolarHBondContact O-N 2.85Å; G1507-T1509 PolarHBondContact O-N 3.44Å
1508L36.2Very low42.9Very low165 Ų165125.4 Ų125.486%0.86480%0.803SS**  trans-45.9112.5164.3-81.1157.9000109.6G1510L1508-G1510 PolarHBondContact O-N 2.56Å; L1508-G1510 VanDerWaalsContact O-N 3.12Å
1509T45.9Very low43Very low139 Ų139125.8 Ų125.885%0.85381%0.807SS**PPolyproline II helixtrans-58.1118167.4-59.80000107.5G1507 S1511G1507-T1509 PolarHBondContact O-N 3.44Å; T1509-S1511 PolarHBondContact O-N 3.39Å
1510G47.1Very low43.5Very low70 Ų70126.2 Ų126.272%0.72281%0.809SS**PPolyproline II helixtrans-55.6130.5-168.600000112.8L1508 D1512L1508-G1510 PolarHBondContact O-N 2.56Å; L1508-G1510 VanDerWaalsContact O-N 3.12Å; G1510-D1512 PolarHBondContact O-N 3.05Å
1511S45.3Very low43.8Very low113 Ų113126.2 Ų126.279%0.7981%0.809SS**PPolyproline II helixtrans-76.2118.1172550000110.5T1509T1509-S1511 PolarHBondContact O-N 3.39Å
1512D39.6Very low43.9Very low173 Ų173126.7 Ų126.793%0.92581%0.814SS**  trans-157142.8153.9-107.7-35.3000111.1G1510G1510-D1512 PolarHBondContact O-N 3.05Å
1513G41.8Very low44Very low71 Ų71127.9 Ų127.973%0.73282%0.819SS**  trans91.784.617100000117.3P1515G1513-P1515 WeakPolarHBondContact O-CD 3.26Å
1514L49.6Very low44.5Very low183 Ų183127.6 Ų127.696%0.95882%0.818SS**  trans-88.8125.3160-91.2167.9000111
1515P46.9Very low44.7Very low120 Ų120128.6 Ų128.678%0.77983%0.828SS**  trans-143.7126.3151.633.6-15.7000115.6G1513G1513-P1515 WeakPolarHBondContact O-CD 3.26Å
1516G38.8Very low44.6Very low81 Ų81130 Ų13084%0.83584%0.835SS**  trans90.4113.2146.200000119
1517S50.5Low44.8Very low122 Ų122132.2 Ų132.285%0.85384%0.838SS**  trans-113.2116.6170.257.40000112.1
1518P53.1Low44.9Very low130 Ų130132.5 Ų132.584%0.84484%0.841SS**  trans-106.4127.8178.1318.6000115.1
1519G39.9Very low45.1Very low78 Ų78134.2 Ų134.280%0.80484%0.842SS**  trans84.2103.4140.500000120.6
1520F47.7Very low45.5Very low212 Ų212133.5 Ų133.593%0.9384%0.839SS**  trans-96.1159.4161-77.1-93.5000112.2
1521P56.2Low45.6Very low127 Ų127133.9 Ų133.983%0.82584%0.843SS**  trans-122.8119.4153.318.62.1000114.1
1522G44.3Very low45.3Very low80 Ų80133.5 Ų133.583%0.82585%0.848SS**  trans8692.9142.700000120.3
1523Q34.3Very low45.8Very low205 Ų205130 Ų13096%0.95884%0.842SS**  trans-77.1155.9147.9-72.3-177.4-9.600110.5
1524K47.4Very low46.5Very low208 Ų208130.1 Ų130.190%0.90484%0.844SS**  trans-144.1103.3165.4-173.8-176.8176.6-177.40112.9
1525G46.8Very low46.5Very low75 Ų75129.7 Ų129.777%0.77384%0.841SS**  trans72.4102.6149.900000117.5
1526E34Very low46.7Very low185 Ų185128.6 Ų128.686%0.86484%0.843SS**  trans-68.8151.6158-61.3-179.4135.400110.9
1527L51.7Low47.6Very low178 Ų178128.1 Ų128.193%0.93284%0.837SS**  trans-120.3134.5158.7-153.179.9000107.4
1528G46.7Very low47.8Very low67 Ų67127.3 Ų127.369%0.69183%0.832SS**  trans-67.3150.9-16000000116.6
1529F40.5Very low48.2Very low202 Ų202127.1 Ų127.189%0.88683%0.831SS**  trans-64.9141.2178.6-64.4-91.3000114.3
1530P53.7Low49.3Very low123 Ų123126.8 Ų126.880%0.79983%0.828SS**  trans-122.4115.2150.416.44.8000111.9
1531G48.9Very low49.9Very low78 Ų78125.5 Ų125.580%0.80483%0.825SS**  trans80.2121.916200000116.9
1532A38Very low50.4Low106 Ų106125.5 Ų125.588%0.87682%0.824SS**PPolyproline II helixtrans-76.3123.6167.800000110.3G1534A1532-G1534 PolarHBondContact O-N 2.82Å
1533A51.2Low51.5Low99 Ų99124.7 Ų124.782%0.81882%0.816SS**PPolyproline II helixtrans-64.6128.2163.100000109
1534G55.8Low53.1Low74 Ų74120.7 Ų120.776%0.76381%0.808SS**PPolyproline II helixtrans-59.9142.217600000110.8A1532 A1536A1532-G1534 PolarHBondContact O-N 2.82Å; G1534-A1536 PolarHBondContact O-N 2.79Å; G1534-A1536 VanDerWaalsContact O-N 3.12Å
1535L49.8Very low54Low173 Ų173117 Ų11791%0.90681%0.805SS**PPolyproline II helixtrans-56123178.1-79.690000109.7G1537L1535-G1537 PolarHBondContact O-N 3.24Å; L1535-G1537 VanDerWaalsContact O-N 3.12Å
1536A52.4Low54.8Low98 Ų98116.7 Ų116.781%0.8180%0.803SS**PPolyproline II helixtrans-57.3118.6162.100000107.5G1534 S1538G1534-A1536 PolarHBondContact O-N 2.79Å; G1534-A1536 VanDerWaalsContact O-N 3.12Å; A1536-S1538 PolarHBondContact O-N 2.88Å
1537G56.5Low56.3Low70 Ų70114.2 Ų114.272%0.72280%0.8SS**PPolyproline II helixtrans-55.8131.7-179.200000110.1L1535L1535-G1537 PolarHBondContact O-N 3.24Å; L1535-G1537 VanDerWaalsContact O-N 3.12Å
1538S54.5Low57Low106 Ų106111.8 Ų111.874%0.74180%0.795SS**PPolyproline II helixtrans-54.6133.6176.749.40000109.3A1536 G1540A1536-S1538 PolarHBondContact O-N 2.88Å; S1538-G1540 PolarHBondContact O-N 2.68Å; S1538-G1540 VanDerWaalsContact O-N 3.16Å
1539P62.5Low57.7Low125 Ų125111.9 Ų111.981%0.81280%0.796SS**PPolyproline II helixtrans-49.1125.7175.3-28.235.2000110Q1541P1539-Q1541 PolarHBondContact O-N 2.94Å
1540G61.8Low58.8Low72 Ų72110.7 Ų110.774%0.74280%0.795SS**PPolyproline II helixtrans-54.2132.2-174.900000110.5S1538S1538-G1540 PolarHBondContact O-N 2.68Å; S1538-G1540 VanDerWaalsContact O-N 3.16Å
1541Q62.1Low59.1Low185 Ų185110.7 Ų110.786%0.86480%0.795SS**PPolyproline II helixtrans-53.2134.4178.4-70.6-176.2-7.700109.3P1539 G1543P1539-Q1541 PolarHBondContact O-N 2.94Å; Q1541-G1543 PolarHBondContact O-N 3.38Å
1542P65Low59.7Low126 Ų126109.6 Ų109.682%0.81878%0.784SS**PPolyproline II helixtrans-51.2126.7172.3-26.634.9000109.5
1543G68.9Low61Low64 Ų64110.1 Ų110.166%0.6678%0.779SS**PPolyproline II helixtrans-54.5142.3-178.400000110.7Q1541Q1541-G1543 PolarHBondContact O-N 3.38Å
1544P67Low60.8Low121 Ų121111.7 Ų111.779%0.78678%0.78SS**PPolyproline II helixtrans-55.8141.5-178.424.1-34000109.9G1546P1544-G1546 PolarHBondContact O-N 2.95Å
1545P66.1Low60.4Low129 Ų129110.7 Ų110.784%0.83877%0.77SS**PPolyproline II helixtrans-50.1128.7176-27.635.1000110.4T1547P1545-T1547 PolarHBondContact O-N 2.82Å
1546G64.4Low60.5Low70 Ų70108.8 Ų108.872%0.72277%0.768SS**PPolyproline II helixtrans-52.9139.3179.800000110.6P1544P1544-G1546 PolarHBondContact O-N 2.95Å
1547T65.9Low60.2Low133 Ų133107.1 Ų107.182%0.81676%0.761SS**PPolyproline II helixtrans-52.5135.4-179.939.60000110P1545 G1549P1545-T1547 PolarHBondContact O-N 2.82Å; T1547-G1549 PolarHBondContact O-N 2.9Å; T1547-G1549 VanDerWaalsContact O-N 3.12Å
1548P64.6Low59.7Low126 Ų126112 Ų11282%0.81876%0.758SS**PPolyproline II helixtrans-51.4125.2172.7-26.935000109.3M1550P1548-M1550 PolarHBondContact O-N 2.86Å
1549G62.3Low59.6Low69 Ų69115.6 Ų115.671%0.71176%0.756SS**PPolyproline II helixtrans-53.8140.6177.700000109.7T1547T1547-G1549 PolarHBondContact O-N 2.9Å; T1547-G1549 VanDerWaalsContact O-N 3.12Å
1550M64.4Low59.4Low177 Ų177117 Ų11787%0.87276%0.756SS**PPolyproline II helixtrans-48.5136178.2-69-18067.400109.5P1548 G1552P1548-M1550 PolarHBondContact O-N 2.86Å; M1550-G1552 PolarHBondContact O-N 2.04Å; M1550-G1552 VanDerWaalsContact O-N 3.12Å
1551P59.7Low60Low123 Ų123114.7 Ų114.780%0.79973%0.733SS**PPolyproline II helixtrans-49126.1170.9-26.334.5000108.8
1552G61.6Low61.4Low56 Ų56109.9 Ų109.958%0.57771%0.709SS**PPolyproline II helixtrans-54.8150.1175.200000109.6M1550M1550-G1552 PolarHBondContact O-N 2.04Å; M1550-G1552 VanDerWaalsContact O-N 3.12Å
1553P65.2Low62.7Low117 Ų117107.3 Ų107.376%0.7669%0.691SS**PPolyproline II helixtrans-51.4140.2170.725.4-34.3000108.2G1555P1553-G1555 PolarHBondContact O-N 2.87Å
1554P47.3Very low63.9Low131 Ų131104.3 Ų104.385%0.85166%0.66SS**PPolyproline II helixtrans-48.8120.3179.8-28.134.8000109.5
1555G47.2Very low65.3Low53 Ų5398.6 Ų98.655%0.54662%0.623SS.*PPolyproline II helixtrans-54.3147.5174.600000109P1553 G1557P1553-G1555 PolarHBondContact O-N 2.87Å; G1555-G1557 WeakPolarHBondContact O-CA 3.42Å; G1555-G1557 PolarHBondContact O-N 2.79Å
1556P51.4Low66.8Low134 Ų13493.6 Ų93.687%0.8759%0.588SS**SBendtrans-50.8115.1176.523.3-33.4000107.7Y1558P1556-Y1558 PolarHBondContact O-N 3.17Å
1557G46.5Very low68.3Low63 Ų6391 Ų9165%0.64956%0.557SS**  trans-52.4115.2-150.500000111.9G1555 R1559G1555-G1557 WeakPolarHBondContact O-CA 3.42Å; G1555-G1557 PolarHBondContact O-N 2.79Å; G1557-R1559 PolarHBondContact O-N 3.43Å
1558Y46.1Very low69.7Low172 Ų17285.4 Ų85.468%0.67552%0.523SS*.  trans-55105.5-177.4-168-90000108P1556P1556-Y1558 PolarHBondContact O-N 3.17Å
1559R52.5Low71.1Confident181 Ų18179.4 Ų79.468%0.68348%0.484SS*.  trans-73147.4172.1-67.4-176.2169.1-154-6.2106.5G1557 G1561G1557-R1559 PolarHBondContact O-N 3.43Å; R1559-G1561 PolarHBondContact O-N 3.09Å
1560D57.4Low72.7Confident154 Ų15477.2 Ų77.282%0.82446%0.458SS*.  trans-71.570.1167.2-65.2-54.4000108.8
1561G75.5Confident74.2Confident25 Ų2572.6 Ų72.626%0.25844%0.44SS..PPolyproline II helixtrans-89.9142.2-16900000111.8R1559 A1667R1559-G1561 PolarHBondContact O-N 3.09Å; G1561-A1667 CarbonylContact C-O 3.5Å; G1561-A1667 WeakPolarHBondContact CA-O 2.99Å
1562F90.1Very high75.9Confident83 Ų8373.7 Ų73.736%0.36443%0.434SS..EExtended strand (participates in β ladder)trans-81.8144.8174.4-63.8-89.8000109.4A1667 A1669 N1670F1562-A1667 PolarHBondContact N-O 2.69Å; F1562-A1667 PolarHBondContact O-N 3.29Å; F1562-A1669 WeakPolarHBondContact CB-O 3.19Å; F1562-A1669 VanDerWaalsContact CG-C 3.45Å; F1562-N1670 HydrophobicContact CD1-CB 4.37Å; F1562-N1670 VanDerWaalsContact CD1-OD1 3.29Å; F1562-N1670 WeakPolarHBondContact CD1-OD1 3.3Å; F1562-N1670 HydrophobicContact CE1-CB 4.41Å; F1562-N1670 WeakPolarHBondContact CE1-ND2 3.29Å; F1562-N1670 VanDerWaalsContact CE1-OD1 3.22Å; F1562-N1670 WeakPolarHBondContact CE1-OD1 3.25Å; F1562-N1670 WeakPolarHBondContact CZ-ND2 3.16Å
1563V93Very high77.6Confident72 Ų7274.7 Ų74.744%0.43643%0.426SS..EExtended strand (participates in β ladder)trans-96.9130.1-178.7-178.90000110A1606 V1664V1563-A1606 HydrophobicContact CG1-CB 4.2Å; V1563-V1664 HydrophobicContact CG1-CG1 3.3Å
1564I94.4Very high79.1Confident1 Ų170.2 Ų70.21%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-111.4129.7172.9-54.7175.5000108.3K1566 Q1580 V1664 C1665 A1667 V1671 L1691 W1692 I1781I1564-K1566 HydrophobicContact CG2-CG 4.48Å; I1564-Q1580 VanDerWaalsContact CD1-NE2 3.31Å; I1564-V1664 WeakPolarHBondContact O-CA 3.49Å; I1564-C1665 HydrophobicContact CB-CB 4.5Å; I1564-C1665 PolarHBondContact N-O 3.08Å; I1564-C1665 PolarHBondContact O-N 2.96Å; I1564-A1667 HydrophobicContact CD1-CB 3.38Å; I1564-A1667 HydrophobicContact CG1-CB 3.75Å; I1564-V1671 HydrophobicContact CD1-CG2 3.6Å; I1564-V1671 HydrophobicContact CG1-CB 4.47Å; I1564-V1671 HydrophobicContact CG1-CG2 3.65Å; I1564-L1691 HydrophobicContact CD1-CD1 3.83Å; I1564-W1692 HydrophobicContact CG2-CH2 4.14Å; I1564-W1692 HydrophobicContact CG2-CZ3 4.11Å; I1564-I1781 HydrophobicContact CD1-CD1 4.33Å
1565V96.4Very high81.4Confident1 Ų169.3 Ų69.31%0.00639%0.388CS..EExtended strand (participates in β ladder)trans-102.9138.4164.8-173.50000109.6S1605 C1609 V1663 V1664 W1692V1565-S1605 VanDerWaalsContact CG2-C 3.44Å; V1565-S1605 WeakPolarHBondContact CG2-O 3.21Å; V1565-C1609 HydrophobicContact CG1-CB 4.12Å; V1565-V1663 WeakPolarHBondContact CA-O 3.35Å; V1565-V1664 HydrophobicContact CG2-CG1 4.43Å; V1565-V1664 HydrophobicContact CG2-CG2 4.1Å; V1565-W1692 WeakPolarHBondContact O-CH2 3.19Å
1566K96.4Very high83.6Confident25 Ų2568.2 Ų68.211%0.10937%0.372CS..EExtended strand (participates in β ladder)trans-121.6137.1164.6-62.6-178.8-178.3-179.90109.4I1564 P1574 T1575 C1662 V1663 W1692I1564-K1566 HydrophobicContact CG2-CG 4.48Å; K1566-P1574 HydrophobicContact CB-CB 4.13Å; K1566-P1574 HydrophobicContact CB-CG 4.12Å; K1566-P1574 WeakPolarHBondContact O-CG 3.2Å; K1566-T1575 WeakPolarHBondContact CD-O 3.44Å; K1566-T1575 PolarHBondContact NZ-O 2.71Å; K1566-C1662 CarbonylContact O-C 3.52Å; K1566-C1662 WeakPolarHBondContact O-CA 3.32Å; K1566-C1662 VanDerWaalsContact O-CB 3.29Å; K1566-C1662 WeakPolarHBondContact O-CB 3.09Å; K1566-V1663 HydrophobicContact CB-CG1 4.16Å; K1566-V1663 PolarHBondContact N-O 3.05Å; K1566-V1663 PolarHBondContact O-N 2.89Å; K1566-W1692 HydrophobicContact CD-CE3 4.44Å; K1566-W1692 HydrophobicContact CD-CZ3 4.2Å; K1566-W1692 HydrophobicContact CG-CE3 4.28Å; K1566-W1692 HydrophobicContact CG-CH2 3.89Å; K1566-W1692 HydrophobicContact CG-CZ3 3.66Å
1567H96.5Very high85.4Confident16 Ų1662.6 Ų62.67%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-107.6134.6167.7-59.6-85.6000108.8S1588 L1603 S1608 L1639 C1662H1567-S1588 WeakPolarHBondContact ND1-CB 3.4Å; H1567-S1588 PolarHBondContact ND1-OG 3.35Å; H1567-L1603 PolarHBondContact CD2-O 2.03Å; H1567-L1603 VanDerWaalsContact CD2-O 3.31Å; H1567-L1603 WeakPolarHBondContact NE2-CA 3.49Å; H1567-L1603 PolarHBondContact NE2-O 3.09Å; H1567-S1608 PolarHBondContact CE1-OG 2.79Å; H1567-S1608 PolarHBondContact NE2-OG 3.07Å; H1567-L1639 HydrophobicContact CB-CD2 3.59Å; H1567-C1662 WeakPolarHBondContact ND1-CB 3.45Å
1568S95.1Very high87.3Confident14 Ų1466.2 Ų66.210%0.09835%0.351CS..  trans-84.3-19.1-177.852.30000113.9S1570 E1572 R1661S1568-S1570 WeakPolarHBondContact CB-OG 3.37Å; S1568-S1570 PolarHBondContact O-N 2.87Å; S1568-S1570 PolarHBondContact OG-N 2.88Å; S1568-S1570 PolarHBondContact OG-O 2.95Å; S1568-S1570 PolarHBondContact OG-OG 3.26Å; S1568-E1572 WeakPolarHBondContact CB-O 3.36Å; S1568-E1572 PolarHBondContact OG-O 3.29Å; S1568-R1661 PolarHBondContact N-O 2.85Å; S1568-R1661 VanDerWaalsContact N-O 3.11Å; S1568-R1661 PolarHBondContact OG-O 3.48Å
1569Q94.8Very high89Confident1 Ų162.2 Ų62.21%0.00536%0.362CS..SBendtrans53.330.8-165.9-56.6179.4-101.700111.7L1639 T1641 T1642 S1660 H1721Q1569-L1639 HydrophobicContact CG-CD2 3.81Å; Q1569-T1641 CarbonylContact O-C 3.54Å; Q1569-T1641 VanDerWaalsContact O-C 3.24Å; Q1569-T1641 WeakPolarHBondContact O-CA 3.41Å; Q1569-T1642 PolarHBondContact O-N 3.05Å; Q1569-S1660 VanDerWaalsContact CA-OG 3.26Å; Q1569-S1660 WeakPolarHBondContact CA-OG 3.43Å; Q1569-S1660 PolarHBondContact N-OG 3.4Å; Q1569-H1721 PolarHBondContact NE2-O 3.33Å; Q1569-H1721 PolarHBondContact OE1-O 3.42Å
1570S95.6Very high90.8Very high22 Ų2254.8 Ų54.815%0.15434%0.335CS..SBendtrans-148.2174.6179.379.70000111.3S1568 E1572 S1660 R1661S1568-S1570 WeakPolarHBondContact CB-OG 3.37Å; S1568-S1570 PolarHBondContact O-N 2.87Å; S1568-S1570 PolarHBondContact OG-N 2.88Å; S1568-S1570 PolarHBondContact OG-O 2.95Å; S1568-S1570 PolarHBondContact OG-OG 3.26Å; S1570-E1572 PolarHBondContact O-N 3.12Å; S1570-E1572 PolarHBondContact OG-N 2.67Å; S1570-E1572 VanDerWaalsContact OG-N 3.12Å; S1570-E1572 PolarHBondContact OG-O 3.29Å; S1570-S1660 WeakPolarHBondContact O-CA 3.38Å; S1570-R1661 PolarHBondContact O-N 3.13Å
1571T95.8Very high92.4Very high80 Ų8053.8 Ų53.849%0.49133%0.325SS..SBendtrans-74.8-8.717248.90000113.3T1641 R1661T1571-T1641 HydrophobicContact CG2-CG2 4.03Å; T1571-R1661 VanDerWaalsContact C-CG 3.48Å; T1571-R1661 WeakPolarHBondContact O-CG 3.39Å
1572E96.1Very high93.3Very high147 Ų14757.3 Ų57.369%0.68733%0.333SS*.SBendtrans-90.1139.2-180-59.7-175.7163.200110.9S1568 S1570 R1661S1568-E1572 WeakPolarHBondContact CB-O 3.36Å; S1568-E1572 PolarHBondContact OG-O 3.29Å; S1570-E1572 PolarHBondContact O-N 3.12Å; S1570-E1572 PolarHBondContact OG-N 2.67Å; S1570-E1572 VanDerWaalsContact OG-N 3.12Å; S1570-E1572 PolarHBondContact OG-O 3.29Å; E1572-R1661 WeakPolarHBondContact O-CB 3.29Å
1573I97.2Very high93.6Very high77 Ų7757.1 Ų57.140%0.39534%0.335SS..PPolyproline II helixtrans-74122.4179-65.2156.5000109D1585 R1661 V1663I1573-D1585 HydrophobicContact CD1-CB 4.38Å; I1573-D1585 WeakPolarHBondContact CD1-OD2 3.4Å; I1573-D1585 HydrophobicContact CG1-CB 4.35Å; I1573-D1585 HydrophobicContact CG2-CB 3.58Å; I1573-R1661 HydrophobicContact CG1-CB 4.16Å; I1573-R1661 HydrophobicContact CG1-CG 4.06Å; I1573-V1663 HydrophobicContact CG2-CB 4.41Å
1574P95.5Very high93.8Very high22 Ų2257.8 Ų57.814%0.14333%0.33CS..PPolyproline II helixtrans-67.6153.8178.725-28.5000111.7K1566 V1663K1566-P1574 HydrophobicContact CB-CB 4.13Å; K1566-P1574 HydrophobicContact CB-CG 4.12Å; K1566-P1574 WeakPolarHBondContact O-CG 3.2Å; P1574-V1663 HydrophobicContact CB-CG1 4.34Å; P1574-V1663 HydrophobicContact CG-CB 4.17Å; P1574-V1663 HydrophobicContact CG-CG1 3.98Å; P1574-V1663 VanDerWaalsContact O-CB 3.29Å; P1574-V1663 WeakPolarHBondContact O-CB 3.26Å; P1574-V1663 WeakPolarHBondContact O-CG1 3.28Å
1575T95Very high93.9Very high112 Ų11259.6 Ų59.669%0.68734%0.34SS*.PPolyproline II helixtrans-95.4141.9-176.848.40000113.1K1566K1566-T1575 WeakPolarHBondContact CD-O 3.44Å; K1566-T1575 PolarHBondContact NZ-O 2.71Å
1576C94.4Very high94Very high31 Ų3159.6 Ų59.621%0.20934%0.34CS..PPolyproline II helixtrans-65.3148.7166.3-620000110.4Q1580 C1665C1576-Q1580 HydrophobicContact CB-CB 4.06Å; C1576-C1665 WeakPolarHBondContact CA-SG 3.5Å; C1576-C1665 HydrophobicContact CB-CB 3.88Å; C1576-C1665 WeakPolarHBondContact CB-SG 3.42Å; C1576-C1665 WeakPolarHBondContact SG-CB 3.48Å; C1576-C1665 CovalentContact SG-SG 2.04Å; C1576-C1665 PolarHBondContact SG-SG 2.76Å
1577G89Confident94.1Very high16 Ų1660.2 Ų60.217%0.16534%0.343CS..PPolyproline II helixtrans-73.4168.5177.900000113.1G1579 Q1580G1577-G1579 PolarHBondContact O-N 2.65Å; G1577-Q1580 WeakPolarHBondContact O-CB 3.3Å; G1577-Q1580 PolarHBondContact O-N 3.44Å
1578P85.7Confident94.1Very high139 Ų13959.5 Ų59.590%0.90334%0.339SS*.THydrogen-bonded Turntrans-53.7132.8172-24.334.7000111.4Q1580P1578-Q1580 PolarHBondContact O-N 2.72Å
1579G82.3Confident94.2Very high87 Ų8759.4 Ų59.490%0.89734%0.337SS*.THydrogen-bonded Turntrans75.70.5-177.200000115.8G1577G1577-G1579 PolarHBondContact O-N 2.65Å
1580Q90.3Very high94.3Very high25 Ų2559.3 Ų59.312%0.11734%0.337CS..PPolyproline II helixtrans-101.6128.7175.3-59.6171.9-3.800109.9I1564 C1576 G1577 P1578 C1665 E1666 A1667I1564-Q1580 VanDerWaalsContact CD1-NE2 3.31Å; C1576-Q1580 HydrophobicContact CB-CB 4.06Å; G1577-Q1580 WeakPolarHBondContact O-CB 3.3Å; G1577-Q1580 PolarHBondContact O-N 3.44Å; P1578-Q1580 PolarHBondContact O-N 2.72Å; Q1580-C1665 HydrophobicContact CB-CB 4.19Å; Q1580-E1666 CarbonylContact C-O 3.57Å; Q1580-E1666 WeakPolarHBondContact CA-O 3.48Å; Q1580-E1666 WeakPolarHBondContact CB-O 3.2Å; Q1580-A1667 HydrophobicContact CG-CB 4.22Å
1581H90.9Very high94.4Very high133 Ų13358.3 Ų58.362%0.61633%0.33SS*.EExtended strand (participates in β ladder)trans-91.7135.3-179.6-154.4-80.8000111L1583 C1665 E1666H1581-L1583 PolarHBondContact O-N 2.79Å; H1581-C1665 CarbonylContact O-C 2.83Å; H1581-C1665 VanDerWaalsContact O-CA 3.24Å; H1581-C1665 WeakPolarHBondContact O-CA 3.23Å; H1581-E1666 HydrophobicContact CB-CB 4.4Å; H1581-E1666 PolarHBondContact N-O 3.02Å; H1581-E1666 VanDerWaalsContact N-O 3.13Å; H1581-E1666 PolarHBondContact O-N 2.92Å
1582K95.2Very high94.4Very high99 Ų9956.3 Ų56.343%0.4332%0.316SS..EExtended strand (participates in β ladder)trans-68.5131.1172.8178.2-179.1172.3-1750109.6D1585 V1663K1582-D1585 VanDerWaalsContact CE-OD1 3.3Å; K1582-D1585 WeakPolarHBondContact CE-OD1 3.11Å; K1582-D1585 IonicContact NZ-OD1 2.75Å; K1582-D1585 PolarHBondContact NZ-OD1 3.46Å; K1582-V1663 HydrophobicContact CD-CG2 4.18Å; K1582-V1663 HydrophobicContact CG-CG2 3.93Å
1583L95.3Very high94.3Very high79 Ų7949.8 Ų49.841%0.41429%0.285SS..EExtended strand (participates in β ladder)trans-96.4-54.6170.3-61177.3000110.2H1581 V1664 E1666H1581-L1583 PolarHBondContact O-N 2.79Å; L1583-V1664 HydrophobicContact CD1-CG1 4.37Å; L1583-V1664 PolarHBondContact N-O 2.96Å; L1583-E1666 HydrophobicContact CD1-CB 4.21Å; L1583-E1666 HydrophobicContact CD2-CB 4.14Å; L1583-E1666 HydrophobicContact CG-CB 4.16Å
1584W97.5Very high94Very high87 Ų8747.3 Ų47.333%0.3328%0.278SS..EExtended strand (participates in β ladder)trans-154.8173.9170.666.993.1000112.2A1606 C1609 T1611 V1663 V1664W1584-A1606 HydrophobicContact CH2-CB 3.95Å; W1584-A1606 HydrophobicContact CZ2-CB 3.96Å; W1584-C1609 PolarHBondContact NE1-O 3.01Å; W1584-T1611 HydrophobicContact CB-CG2 4.17Å; W1584-T1611 VanDerWaalsContact CD1-CG2 3.43Å; W1584-T1611 HydrophobicContact CG-CG2 3.89Å; W1584-V1663 VanDerWaalsContact O-CG2 3.31Å; W1584-V1663 WeakPolarHBondContact O-CG2 3.44Å; W1584-V1664 HydrophobicContact CD2-CB 3.92Å; W1584-V1664 HydrophobicContact CD2-CG1 4.47Å; W1584-V1664 HydrophobicContact CD2-CG2 4.05Å; W1584-V1664 VanDerWaalsContact CE2-CG2 3.44Å; W1584-V1664 HydrophobicContact CE3-CB 4.23Å; W1584-V1664 HydrophobicContact CE3-CG1 4.37Å; W1584-V1664 HydrophobicContact CG-CB 4.43Å; W1584-V1664 HydrophobicContact CG-CG2 4.45Å; W1584-V1664 HydrophobicContact CH2-CB 4.3Å; W1584-V1664 HydrophobicContact CH2-CG1 3.85Å; W1584-V1664 HydrophobicContact CH2-CG2 4.39Å; W1584-V1664 HydrophobicContact CZ2-CB 4.01Å; W1584-V1664 HydrophobicContact CZ2-CG1 3.97Å; W1584-V1664 HydrophobicContact CZ2-CG2 3.65Å; W1584-V1664 HydrophobicContact CZ3-CB 4.39Å; W1584-V1664 HydrophobicContact CZ3-CG1 4.06Å; W1584-V1664 PolarHBondContact N-O 3.12Å; W1584-V1664 PolarHBondContact O-N 3.29Å
1585D97.6Very high93.7Very high39 Ų3951.1 Ų51.121%0.20930%0.298CS..EExtended strand (participates in β ladder)trans-125.6162.6165.868.9-86.1000110.8I1573 K1582 R1661 C1662 V1663I1573-D1585 HydrophobicContact CD1-CB 4.38Å; I1573-D1585 WeakPolarHBondContact CD1-OD2 3.4Å; I1573-D1585 HydrophobicContact CG1-CB 4.35Å; I1573-D1585 HydrophobicContact CG2-CB 3.58Å; K1582-D1585 VanDerWaalsContact CE-OD1 3.3Å; K1582-D1585 WeakPolarHBondContact CE-OD1 3.11Å; K1582-D1585 IonicContact NZ-OD1 2.75Å; K1582-D1585 PolarHBondContact NZ-OD1 3.46Å; D1585-R1661 IonicContact OD2-CZ 2.72Å; D1585-R1661 IonicContact OD2-NH2 3.76Å; D1585-R1661 PolarHBondContact OD2-NH2 3.39Å; D1585-C1662 WeakPolarHBondContact CA-O 3.41Å; D1585-C1662 WeakPolarHBondContact CB-O 3.04Å; D1585-V1663 HydrophobicContact CB-CG2 4.39Å
1586G97.6Very high93.5Very high0 Ų052.8 Ų52.80%030%0.298CS..EExtended strand (participates in β ladder)trans-169.8-164.3-170.700000114.4L1610 R1661 C1662G1586-L1610 CarbonylContact C-O 3.5Å; G1586-L1610 WeakPolarHBondContact CA-O 3.16Å; G1586-R1661 CarbonylContact O-C 3.41Å; G1586-R1661 VanDerWaalsContact O-CA 3.31Å; G1586-R1661 WeakPolarHBondContact O-CA 3.36Å; G1586-R1661 PolarHBondContact O-NE 2.78Å; G1586-R1661 PolarHBondContact O-NH1 2.95Å; G1586-C1662 PolarHBondContact N-O 3.49Å; G1586-C1662 PolarHBondContact O-N 3.02Å; G1586-C1662 PolarHBondContact O-SG 3.41Å; G1586-C1662 VanDerWaalsContact O-SG 3.35Å
1587F98.2Very high93.4Very high39 Ų3957.2 Ų57.217%0.17131%0.313CS..EExtended strand (participates in β ladder)trans-107.4144.4176.9-57.2-95.9000109.9L1589 L1610 F1613 W1638 V1659 C1662F1587-L1589 PolarHBondContact O-N 3.37Å; F1587-L1610 PolarHBondContact N-O 2.9Å; F1587-L1610 PolarHBondContact O-N 3.05Å; F1587-F1613 HydrophobicContact CB-CB 4.34Å; F1587-F1613 HydrophobicContact CD1-CB 3.77Å; F1587-F1613 HydrophobicContact CD1-CD2 4.48Å; F1587-F1613 HydrophobicContact CD1-CG 4.4Å; F1587-F1613 HydrophobicContact CD2-CB 3.61Å; F1587-F1613 HydrophobicContact CE1-CB 3.8Å; F1587-F1613 HydrophobicContact CE2-CB 3.65Å; F1587-F1613 VanDerWaalsContact CE2-N 3.33Å; F1587-F1613 HydrophobicContact CG-CB 3.66Å; F1587-F1613 HydrophobicContact CZ-CB 3.73Å; F1587-W1638 HydrophobicContact CB-CE3 3.93Å; F1587-W1638 HydrophobicContact CB-CZ3 3.62Å; F1587-V1659 HydrophobicContact CB-CG1 4.05Å; F1587-V1659 HydrophobicContact CD1-CG1 3.87Å; F1587-V1659 HydrophobicContact CG-CG1 4.45Å; F1587-C1662 VanDerWaalsContact C-SG 3.59Å
1588S97.8Very high93.6Very high0 Ų057.3 Ų57.30%031%0.312CS..EExtended strand (participates in β ladder)trans-84.689.1-169.2-54.20000112.1H1567 S1608 W1638 L1639 S1660 R1661H1567-S1588 WeakPolarHBondContact ND1-CB 3.4Å; H1567-S1588 PolarHBondContact ND1-OG 3.35Å; S1588-S1608 CarbonylContact C-O 3.53Å; S1588-S1608 WeakPolarHBondContact CA-O 3.46Å; S1588-W1638 CarbonylContact O-C 3.49Å; S1588-W1638 WeakPolarHBondContact O-CA 3.31Å; S1588-L1639 PolarHBondContact O-N 3.04Å; S1588-S1660 VanDerWaalsContact CB-O 3.29Å; S1588-S1660 WeakPolarHBondContact CB-O 3.47Å; S1588-S1660 PolarHBondContact N-O 2.77Å; S1588-S1660 WeakPolarHBondContact OG-CB 3.37Å; S1588-S1660 PolarHBondContact OG-O 3.1Å; S1588-S1660 PolarHBondContact OG-OG 3.03Å; S1588-R1661 PolarHBondContact OG-O 3.03Å; S1588-R1661 VanDerWaalsContact OG-O 3.04Å
1589L97.8Very high94.1Very high12 Ų1256.1 Ų56.16%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-72.3129.3172.1-179.169.4000109.8F1587 I1592 Q1601 S1608 L1610 W1638F1587-L1589 PolarHBondContact O-N 3.37Å; L1589-I1592 HydrophobicContact CD1-CG2 4.06Å; L1589-I1592 HydrophobicContact CD2-CG2 4.36Å; L1589-Q1601 HydrophobicContact CD2-CG 4.01Å; L1589-S1608 PolarHBondContact N-O 3.14Å; L1589-S1608 WeakPolarHBondContact O-CB 3.29Å; L1589-L1610 HydrophobicContact CB-CD1 4.21Å; L1589-L1610 HydrophobicContact CB-CG 4.24Å; L1589-L1610 HydrophobicContact CD2-CD1 3.78Å; L1589-L1610 HydrophobicContact CD2-CG 4.26Å; L1589-L1610 HydrophobicContact CG-CD1 4.45Å; L1589-W1638 HydrophobicContact CB-CE3 4.11Å; L1589-W1638 HydrophobicContact CB-CH2 4.43Å; L1589-W1638 HydrophobicContact CB-CZ3 3.93Å; L1589-W1638 HydrophobicContact CD1-CD2 4.28Å; L1589-W1638 HydrophobicContact CD1-CE3 4.43Å; L1589-W1638 HydrophobicContact CD1-CH2 4.31Å; L1589-W1638 HydrophobicContact CD1-CZ2 4.14Å; L1589-W1638 HydrophobicContact CD1-CZ3 4.44Å
1590L96.5Very high94.7Very high0 Ų054.1 Ų54.10%026%0.262CS..EExtended strand (participates in β ladder)trans-98.3-54.8173.2-173.668.1000110.5Q1601 L1603 Y1637 F1697 F1727L1590-Q1601 PolarHBondContact O-N 2.8Å; L1590-L1603 HydrophobicContact CD1-CD1 3.77Å; L1590-L1603 HydrophobicContact CD1-CD2 3.96Å; L1590-L1603 HydrophobicContact CD1-CG 3.96Å; L1590-Y1637 WeakPolarHBondContact CB-O 3.13Å; L1590-Y1637 PolarHBondContact N-O 3.32Å; L1590-F1697 HydrophobicContact CD1-CE1 4.21Å; L1590-F1727 HydrophobicContact CD2-CB 3.62Å; L1590-F1727 HydrophobicContact CD2-CD1 4.15Å; L1590-F1727 HydrophobicContact CD2-CD2 4.17Å; L1590-F1727 HydrophobicContact CD2-CG 3.73Å
1591Y96.5Very high94.9Very high0 Ų055.2 Ų55.20%027%0.268CS..EExtended strand (participates in β ladder)trans-157.5162.6174.572.2-83.2000112.8E1593 H1599 N1600 Y1637 H1700 A1702 E1706Y1591-E1593 HydrophobicContact CE2-CB 4.33Å; Y1591-H1599 WeakPolarHBondContact CA-O 3.46Å; Y1591-H1599 WeakPolarHBondContact CB-O 3.16Å; Y1591-N1600 WeakPolarHBondContact CB-OD1 3.33Å; Y1591-Y1637 VanDerWaalsContact CD1-CB 3.48Å; Y1591-Y1637 HydrophobicContact CD1-CD2 4.04Å; Y1591-Y1637 AromaticContact CD1-CG 3.83Å; Y1591-Y1637 HydrophobicContact CD1-CG 3.83Å; Y1591-Y1637 AromaticContact CD2-CD2 3.61Å; Y1591-Y1637 HydrophobicContact CD2-CD2 3.61Å; Y1591-Y1637 HydrophobicContact CD2-CE2 4.06Å; Y1591-Y1637 HydrophobicContact CD2-CG 4.25Å; Y1591-Y1637 VanDerWaalsContact CE1-CB 3.45Å; Y1591-Y1637 AromaticContact CE1-CD1 3.72Å; Y1591-Y1637 HydrophobicContact CE1-CD1 3.72Å; Y1591-Y1637 AromaticContact CE1-CD2 3.68Å; Y1591-Y1637 HydrophobicContact CE1-CD2 3.68Å; Y1591-Y1637 HydrophobicContact CE1-CE1 4.28Å; Y1591-Y1637 HydrophobicContact CE1-CE2 4.27Å; Y1591-Y1637 AromaticContact CE1-CG 3.35Å; Y1591-Y1637 HydrophobicContact CE1-CG 3.35Å; Y1591-Y1637 HydrophobicContact CE2-CD1 4.47Å; Y1591-Y1637 AromaticContact CE2-CD2 3.24Å; Y1591-Y1637 HydrophobicContact CE2-CD2 3.24Å; Y1591-Y1637 HydrophobicContact CE2-CE1 4.49Å; Y1591-Y1637 AromaticContact CE2-CE2 3.3Å; Y1591-Y1637 HydrophobicContact CE2-CE2 3.3Å; Y1591-Y1637 AromaticContact CE2-CG 3.85Å; Y1591-Y1637 HydrophobicContact CE2-CG 3.85Å; Y1591-Y1637 AromaticContact CE2-CZ 3.93Å; Y1591-Y1637 HydrophobicContact CG-CD2 4.02Å; Y1591-Y1637 HydrophobicContact CG-CG 4.26Å; Y1591-Y1637 AromaticContact CZ-CD1 3.68Å; Y1591-Y1637 AromaticContact CZ-CD2 3.29Å; Y1591-Y1637 AromaticContact CZ-CE1 3.79Å; Y1591-Y1637 AromaticContact CZ-CE2 3.44Å; Y1591-Y1637 VanDerWaalsContact CZ-CE2 3.44Å; Y1591-Y1637 AromaticContact CZ-CG 3.39Å; Y1591-Y1637 AromaticContact CZ-CZ 3.65Å; Y1591-Y1637 PolarHBondContact N-O 3.06Å; Y1591-Y1637 PolarHBondContact O-N 3.29Å; Y1591-Y1637 VanDerWaalsContact OH-CE1 3.3Å; Y1591-Y1637 WeakPolarHBondContact OH-CE1 3.34Å; Y1591-Y1637 VanDerWaalsContact OH-CZ 3.24Å; Y1591-H1700 AromaticContact CD1-CD2 3.76Å; Y1591-H1700 AromaticContact CD1-NE2 3.16Å; Y1591-H1700 WeakPolarHBondContact CD1-NE2 3.23Å; Y1591-H1700 AromaticContact CE1-CD2 3.4Å; Y1591-H1700 VanDerWaalsContact CE1-CD2 3.4Å; Y1591-H1700 WeakPolarHBondContact CE1-CD2 3.15Å; Y1591-H1700 AromaticContact CE1-NE2 3.34Å; Y1591-H1700 VanDerWaalsContact CE1-NE2 3.34Å; Y1591-H1700 WeakPolarHBondContact CE1-NE2 3.11Å; Y1591-A1702 WeakPolarHBondContact OH-CB 3.14Å; Y1591-E1706 PolarHBondContact OH-O 3Å
1592I95.6Very high95.2Very high39 Ų3950.6 Ų50.620%0.225%0.248CC..EExtended strand (participates in β ladder)trans-110.1146.3166.958.8173.2000109.7L1589 S1598 H1599 P1617 F1618L1589-I1592 HydrophobicContact CD1-CG2 4.06Å; L1589-I1592 HydrophobicContact CD2-CG2 4.36Å; I1592-S1598 CarbonylContact O-C 3.37Å; I1592-S1598 VanDerWaalsContact O-CA 3.28Å; I1592-S1598 WeakPolarHBondContact O-CA 3.46Å; I1592-H1599 HydrophobicContact CG1-CB 4.08Å; I1592-H1599 PolarHBondContact N-O 3.1Å; I1592-H1599 PolarHBondContact O-N 2.75Å; I1592-P1617 HydrophobicContact CG2-CG 4.08Å; I1592-F1618 HydrophobicContact CB-CD1 3.9Å; I1592-F1618 HydrophobicContact CB-CE1 3.58Å; I1592-F1618 HydrophobicContact CB-CZ 4.21Å; I1592-F1618 HydrophobicContact CD1-CD1 4.03Å; I1592-F1618 HydrophobicContact CD1-CE1 4.37Å; I1592-F1618 HydrophobicContact CD1-CG 4.12Å; I1592-F1618 HydrophobicContact CG2-CD1 3.67Å; I1592-F1618 HydrophobicContact CG2-CE1 3.72Å
1593E94.9Very high95.3Very high10 Ų1046 Ų465%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-120.997.1175.6-178.4-169.8143.100107.9Y1591 K1597 D1634 K1635 Y1637Y1591-E1593 HydrophobicContact CE2-CB 4.33Å; E1593-K1597 WeakPolarHBondContact CA-O 3.23Å; E1593-D1634 WeakPolarHBondContact O-CA 3.4Å; E1593-D1634 WeakPolarHBondContact O-CB 3.21Å; E1593-K1635 HydrophobicContact CB-CB 4.25Å; E1593-K1635 PolarHBondContact N-O 3.12Å; E1593-K1635 PolarHBondContact O-N 2.89Å; E1593-K1635 IonicContact OE1-NZ 3.58Å; E1593-Y1637 HydrophobicContact CB-CD2 4.49Å; E1593-Y1637 HydrophobicContact CB-CE2 3.8Å; E1593-Y1637 WeakPolarHBondContact OE2-CE2 3.31Å; E1593-Y1637 VanDerWaalsContact OE2-CZ 3.25Å; E1593-Y1637 PolarHBondContact OE2-OH 2.77Å
1594G91.6Very high95.3Very high24 Ų2442.6 Ų42.625%0.24721%0.212CC..EExtended strand (participates in β ladder)trans-110.5133.117800000110.2E1596 K1597G1594-E1596 PolarHBondContact O-N 2.97Å; G1594-K1597 PolarHBondContact N-O 3.11Å; G1594-K1597 VanDerWaalsContact N-O 3.1Å; G1594-K1597 PolarHBondContact O-N 2.6Å
1595N89.3Confident95.2Very high103 Ų10340.5 Ų40.555%0.55121%0.21SC*.THydrogen-bonded Turntrans51.643.8-173.8-173.170.5000112.2K1597 R1632 D1634N1595-K1597 PolarHBondContact O-N 2.72Å; N1595-K1597 VanDerWaalsContact O-N 3.15Å; N1595-R1632 PolarHBondContact OD1-NH1 2.87Å; N1595-R1632 PolarHBondContact OD1-NH2 2.77Å; N1595-D1634 PolarHBondContact N-OD1 2.89Å
1596E89.2Confident95.2Very high147 Ų14740.1 Ų40.169%0.68721%0.213SC*.THydrogen-bonded Turntrans56.924.6-176.9-56.8-179.1-178.300114G1594G1594-E1596 PolarHBondContact O-N 2.97Å
1597K93Very high95.1Very high123 Ų12341.5 Ų41.554%0.53523%0.227SC..EExtended strand (participates in β ladder)trans-121122.7175-159.980.7-159.992.10112E1593 G1594 N1595 E1706E1593-K1597 WeakPolarHBondContact CA-O 3.23Å; G1594-K1597 PolarHBondContact N-O 3.11Å; G1594-K1597 VanDerWaalsContact N-O 3.1Å; G1594-K1597 PolarHBondContact O-N 2.6Å; N1595-K1597 PolarHBondContact O-N 2.72Å; N1595-K1597 VanDerWaalsContact O-N 3.15Å; K1597-E1706 WeakPolarHBondContact CA-OE2 3.49Å; K1597-E1706 IonicContact NZ-OE1 3.82Å; K1597-E1706 PolarHBondContact NZ-OE1 3.27Å; K1597-E1706 IonicContact NZ-OE2 2.66Å; K1597-E1706 PolarHBondContact NZ-OE2 3.04Å
1598S93.2Very high95.1Very high19 Ų1939.6 Ų39.613%0.13322%0.219CC..EExtended strand (participates in β ladder)trans-75.4127.517556.20000112.7I1592 E1706 G1707I1592-S1598 CarbonylContact O-C 3.37Å; I1592-S1598 VanDerWaalsContact O-CA 3.28Å; I1592-S1598 WeakPolarHBondContact O-CA 3.46Å; S1598-E1706 PolarHBondContact N-OE2 3.39Å; S1598-E1706 PolarHBondContact OG-OE2 3.12Å; S1598-G1707 PolarHBondContact OG-N 3.37Å; S1598-G1707 VanDerWaalsContact OG-N 3.08Å; S1598-G1707 PolarHBondContact OG-O 3.08Å
1599H95.6Very high95.1Very high114 Ų11439.8 Ų39.853%0.52822%0.22SC..EExtended strand (participates in β ladder)trans-118.9119165.6177.578.1000109.3Y1591 I1592 Q1601Y1591-H1599 WeakPolarHBondContact CA-O 3.46Å; Y1591-H1599 WeakPolarHBondContact CB-O 3.16Å; I1592-H1599 HydrophobicContact CG1-CB 4.08Å; I1592-H1599 PolarHBondContact N-O 3.1Å; I1592-H1599 PolarHBondContact O-N 2.75Å; H1599-Q1601 PolarHBondContact NE2-NE2 2.95Å
1600N94.4Very high95.1Very high44 Ų4441.9 Ų41.924%0.23523%0.231CC..EExtended strand (participates in β ladder)trans-99.2152.1-167.3-64-98.2000111.8Y1591 H1700 G1707 G1708Y1591-N1600 WeakPolarHBondContact CB-OD1 3.33Å; N1600-H1700 PolarHBondContact OD1-CE1 2.84Å; N1600-H1700 PolarHBondContact OD1-NE2 3.2Å; N1600-G1707 PolarHBondContact ND2-O 2.98Å; N1600-G1707 PolarHBondContact OD1-O 3.01Å; N1600-G1708 VanDerWaalsContact OD1-CA 3.28Å; N1600-G1708 WeakPolarHBondContact OD1-CA 3.07Å; N1600-G1708 PolarHBondContact OD1-N 3.28Å
1601Q95.4Very high95.2Very high49 Ų4946 Ų4623%0.22926%0.256CS..  trans-107.3144.4163.1-64.1-62.7-62.900109.3L1589 L1590 H1599 Q1710L1589-Q1601 HydrophobicContact CD2-CG 4.01Å; L1590-Q1601 PolarHBondContact O-N 2.8Å; H1599-Q1601 PolarHBondContact NE2-NE2 2.95Å; Q1601-Q1710 PolarHBondContact O-NE2 3.41Å
1602D97.1Very high95.2Very high36 Ų3656 Ų5619%0.19329%0.294CS..  trans-77.8126.1169.1174.510.1000108.6G1604 S1605 S1608 Q1710 S1714D1602-G1604 PolarHBondContact O-N 3.14Å; D1602-G1604 PolarHBondContact OD1-N 2.99Å; D1602-S1605 WeakPolarHBondContact O-CA 3.45Å; D1602-S1605 WeakPolarHBondContact O-CB 3.22Å; D1602-S1605 PolarHBondContact O-N 3.03Å; D1602-S1605 PolarHBondContact O-OG 2.86Å; D1602-S1608 WeakPolarHBondContact O-CB 3.18Å; D1602-S1608 PolarHBondContact O-OG 2.82Å; D1602-Q1710 PolarHBondContact OD1-OE1 3.17Å; D1602-S1714 PolarHBondContact OD1-OG 3.44Å; D1602-S1714 WeakPolarHBondContact OD2-CB 3.34Å; D1602-S1714 PolarHBondContact OD2-OG 3.38Å
1603L97.3Very high95.2Very high1 Ų156.7 Ų56.71%0.00530%0.295CS..THydrogen-bonded Turntrans-68-9.5178.4-61.3170.1000112.6H1567 L1590 L1639 F1697 G1716 L1719H1567-L1603 PolarHBondContact CD2-O 2.03Å; H1567-L1603 VanDerWaalsContact CD2-O 3.31Å; H1567-L1603 WeakPolarHBondContact NE2-CA 3.49Å; H1567-L1603 PolarHBondContact NE2-O 3.09Å; L1590-L1603 HydrophobicContact CD1-CD1 3.77Å; L1590-L1603 HydrophobicContact CD1-CD2 3.96Å; L1590-L1603 HydrophobicContact CD1-CG 3.96Å; L1603-L1639 HydrophobicContact CD1-CD1 3.89Å; L1603-F1697 HydrophobicContact CD1-CD1 4.22Å; L1603-F1697 HydrophobicContact CD1-CE1 4.01Å; L1603-G1716 VanDerWaalsContact C-CA 3.41Å; L1603-G1716 VanDerWaalsContact CB-CA 3.47Å; L1603-L1719 HydrophobicContact CD1-CD2 4.2Å
1604G95.8Very high95.2Very high9 Ų957.6 Ų57.69%0.09330%0.303CS..THydrogen-bonded Turntrans-86.1-12.5165.400000113.6D1602 S1714D1602-G1604 PolarHBondContact O-N 3.14Å; D1602-G1604 PolarHBondContact OD1-N 2.99Å; G1604-S1714 WeakPolarHBondContact CA-OG 3.34Å
1605S96Very high95.4Very high42 Ų4257.3 Ų57.329%0.29430%0.296SS..SBendtrans-103.7146.2-174.480.80000112.6V1565 D1602 G1607 S1608V1565-S1605 VanDerWaalsContact CG2-C 3.44Å; V1565-S1605 WeakPolarHBondContact CG2-O 3.21Å; D1602-S1605 WeakPolarHBondContact O-CA 3.45Å; D1602-S1605 WeakPolarHBondContact O-CB 3.22Å; D1602-S1605 PolarHBondContact O-N 3.03Å; D1602-S1605 PolarHBondContact O-OG 2.86Å; S1605-G1607 PolarHBondContact O-N 2.94Å; S1605-S1608 WeakPolarHBondContact O-CB 3.39Å; S1605-S1608 PolarHBondContact O-N 3.45Å; S1605-S1608 VanDerWaalsContact O-N 3.08Å; S1605-S1608 PolarHBondContact O-OG 3.14Å
1606A96.5Very high95.7Very high32 Ų3252.6 Ų52.626%0.26427%0.271SS..G310 helixtrans-55.1-28.7-175.100000114.9V1563 W1584 S1608 C1609 V1664V1563-A1606 HydrophobicContact CG1-CB 4.2Å; W1584-A1606 HydrophobicContact CH2-CB 3.95Å; W1584-A1606 HydrophobicContact CZ2-CB 3.96Å; A1606-S1608 PolarHBondContact O-N 3.47Å; A1606-C1609 PolarHBondContact O-N 3.32Å; A1606-C1609 VanDerWaalsContact O-N 3.09Å; A1606-V1664 HydrophobicContact CB-CG1 4.32Å
1607G96.1Very high95.9Very high28 Ų2847.9 Ų47.929%0.28925%0.253SS..G310 helixtrans-67.3-18.718000000114.7S1605 C1609S1605-G1607 PolarHBondContact O-N 2.94Å; G1607-C1609 VanDerWaalsContact C-N 3.25Å; G1607-C1609 PolarHBondContact O-N 2.72Å
1608S97.8Very high96Very high0 Ų043.9 Ų43.90%024%0.236CC..G310 helixtrans-73.2-12.7171.165.20000114H1567 S1588 L1589 D1602 S1605 A1606H1567-S1608 PolarHBondContact CE1-OG 2.79Å; H1567-S1608 PolarHBondContact NE2-OG 3.07Å; S1588-S1608 CarbonylContact C-O 3.53Å; S1588-S1608 WeakPolarHBondContact CA-O 3.46Å; L1589-S1608 PolarHBondContact N-O 3.14Å; L1589-S1608 WeakPolarHBondContact O-CB 3.29Å; D1602-S1608 WeakPolarHBondContact O-CB 3.18Å; D1602-S1608 PolarHBondContact O-OG 2.82Å; S1605-S1608 WeakPolarHBondContact O-CB 3.39Å; S1605-S1608 PolarHBondContact O-N 3.45Å; S1605-S1608 VanDerWaalsContact O-N 3.08Å; S1605-S1608 PolarHBondContact O-OG 3.14Å; A1606-S1608 PolarHBondContact O-N 3.47Å
1609C98.1Very high96.1Very high3 Ų347.6 Ų47.62%0.0225%0.254CS..EExtended strand (participates in β ladder)trans-112.779.8-175.3-166.60000112.1V1565 W1584 A1606 G1607 C1662 V1664V1565-C1609 HydrophobicContact CG1-CB 4.12Å; W1584-C1609 PolarHBondContact NE1-O 3.01Å; A1606-C1609 PolarHBondContact O-N 3.32Å; A1606-C1609 VanDerWaalsContact O-N 3.09Å; G1607-C1609 VanDerWaalsContact C-N 3.25Å; G1607-C1609 PolarHBondContact O-N 2.72Å; C1609-C1662 WeakPolarHBondContact CA-SG 3.21Å; C1609-C1662 HydrophobicContact CB-CB 3.91Å; C1609-C1662 WeakPolarHBondContact CB-SG 3.22Å; C1609-C1662 VanDerWaalsContact SG-C 3.53Å; C1609-C1662 WeakPolarHBondContact SG-CB 3.15Å; C1609-C1662 CovalentContact SG-SG 2.03Å; C1609-C1662 PolarHBondContact SG-SG 3.36Å; C1609-V1664 HydrophobicContact CB-CG2 3.51Å
1610L98.1Very high95.9Very high57 Ų5745.3 Ų45.330%0.29824%0.242SC..EExtended strand (participates in β ladder)trans-77.8126.3-178.9-68.1-174.3000111.5G1586 F1587 L1589 R1612 P1617 W1638G1586-L1610 CarbonylContact C-O 3.5Å; G1586-L1610 WeakPolarHBondContact CA-O 3.16Å; F1587-L1610 PolarHBondContact N-O 2.9Å; F1587-L1610 PolarHBondContact O-N 3.05Å; L1589-L1610 HydrophobicContact CB-CD1 4.21Å; L1589-L1610 HydrophobicContact CB-CG 4.24Å; L1589-L1610 HydrophobicContact CD2-CD1 3.78Å; L1589-L1610 HydrophobicContact CD2-CG 4.26Å; L1589-L1610 HydrophobicContact CG-CD1 4.45Å; L1610-R1612 PolarHBondContact O-N 3.28Å; L1610-R1612 VanDerWaalsContact O-N 3.09Å; L1610-P1617 HydrophobicContact CD1-CB 4.17Å; L1610-W1638 HydrophobicContact CB-CH2 4.39Å; L1610-W1638 HydrophobicContact CB-CZ3 4.35Å; L1610-W1638 HydrophobicContact CD1-CH2 3.84Å; L1610-W1638 HydrophobicContact CD1-CZ3 4.36Å
1611T97.4Very high95.9Very high87 Ų8746.4 Ų46.453%0.53425%0.253SS..SBendtrans-61.3-19.3178.853.90000114.1W1584W1584-T1611 HydrophobicContact CB-CG2 4.17Å; W1584-T1611 VanDerWaalsContact CD1-CG2 3.43Å; W1584-T1611 HydrophobicContact CG-CG2 3.89Å
1612R96.1Very high95.6Very high208 Ų20847 Ų4779%0.78526%0.258SS*.SBendtrans-130.6133.1179-62.2-176.8-179.1-177.70.3110.6L1610L1610-R1612 PolarHBondContact O-N 3.28Å; L1610-R1612 VanDerWaalsContact O-N 3.09Å
1613F95.6Very high95.4Very high54 Ų5452 Ų5224%0.23729%0.289CS..  trans-81.6148.8169.7178.4-100.2000110.8F1587 T1615 W1638 I1655 V1659F1587-F1613 HydrophobicContact CB-CB 4.34Å; F1587-F1613 HydrophobicContact CD1-CB 3.77Å; F1587-F1613 HydrophobicContact CD1-CD2 4.48Å; F1587-F1613 HydrophobicContact CD1-CG 4.4Å; F1587-F1613 HydrophobicContact CD2-CB 3.61Å; F1587-F1613 HydrophobicContact CE1-CB 3.8Å; F1587-F1613 HydrophobicContact CE2-CB 3.65Å; F1587-F1613 VanDerWaalsContact CE2-N 3.33Å; F1587-F1613 HydrophobicContact CG-CB 3.66Å; F1587-F1613 HydrophobicContact CZ-CB 3.73Å; F1613-T1615 HydrophobicContact CE1-CG2 4.13Å; F1613-T1615 HydrophobicContact CZ-CG2 4.13Å; F1613-W1638 AromaticContact CD2-CD2 3.81Å; F1613-W1638 HydrophobicContact CD2-CD2 3.81Å; F1613-W1638 AromaticContact CD2-CE2 3.65Å; F1613-W1638 AromaticContact CD2-CE3 3.99Å; F1613-W1638 HydrophobicContact CD2-CE3 3.99Å; F1613-W1638 HydrophobicContact CD2-CG 4.45Å; F1613-W1638 AromaticContact CD2-CH2 3.94Å; F1613-W1638 HydrophobicContact CD2-CH2 3.94Å; F1613-W1638 AromaticContact CD2-CZ2 3.73Å; F1613-W1638 HydrophobicContact CD2-CZ2 3.73Å; F1613-W1638 HydrophobicContact CD2-CZ3 4.07Å; F1613-W1638 AromaticContact CE2-CD1 3.77Å; F1613-W1638 AromaticContact CE2-CD2 3.68Å; F1613-W1638 HydrophobicContact CE2-CD2 3.68Å; F1613-W1638 AromaticContact CE2-CE2 3.43Å; F1613-W1638 VanDerWaalsContact CE2-CE2 3.43Å; F1613-W1638 HydrophobicContact CE2-CE3 4.33Å; F1613-W1638 AromaticContact CE2-CG 3.91Å; F1613-W1638 HydrophobicContact CE2-CG 3.91Å; F1613-W1638 AromaticContact CE2-CZ2 3.9Å; F1613-W1638 HydrophobicContact CE2-CZ2 3.9Å; F1613-W1638 AromaticContact CE2-NE1 3.47Å; F1613-I1655 HydrophobicContact CE1-CG2 3.68Å; F1613-I1655 HydrophobicContact CE2-CG2 4.28Å; F1613-I1655 HydrophobicContact CZ-CG2 3.49Å; F1613-I1655 VanDerWaalsContact CZ-CG2 3.49Å; F1613-V1659 HydrophobicContact CD2-CG1 4.11Å; F1613-V1659 HydrophobicContact CD2-CG2 4.24Å; F1613-V1659 HydrophobicContact CE2-CG1 4.33Å; F1613-V1659 HydrophobicContact CE2-CG2 3.75Å; F1613-V1659 HydrophobicContact CZ-CG2 4.27Å
1614S95.1Very high95.2Very high30 Ų3057.2 Ų57.221%0.2132%0.317CS..  trans-157.4148.5160.8177.10000108.4M1616 Y1629 W1638S1614-M1616 WeakPolarHBondContact CB-O 3.19Å; S1614-M1616 PolarHBondContact O-N 2.73Å; S1614-M1616 PolarHBondContact OG-N 3.18Å; S1614-M1616 PolarHBondContact OG-O 2.75Å; S1614-Y1629 PolarHBondContact OG-OH 3Å; S1614-W1638 VanDerWaalsContact O-CZ2 3.24Å; S1614-W1638 WeakPolarHBondContact O-CZ2 3.14Å
1615T95.9Very high95Very high17 Ų1763.6 Ų63.610%0.10435%0.349CS..SBendtrans-64.1-23.1167.656.60000111.9F1613 S1636 I1655 C1730 G1732F1613-T1615 HydrophobicContact CE1-CG2 4.13Å; F1613-T1615 HydrophobicContact CZ-CG2 4.13Å; T1615-S1636 PolarHBondContact O-OG 3.03Å; T1615-I1655 HydrophobicContact CG2-CD1 3.95Å; T1615-C1730 HydrophobicContact CG2-CB 4.05Å; T1615-G1732 WeakPolarHBondContact O-CA 3.29Å; T1615-G1732 PolarHBondContact OG1-O 3.48Å
1616M95.1Very high94.8Very high5 Ų565.2 Ų65.23%0.02536%0.357CS..  trans-128.792.9169.6-164.171.490.900109.8S1614 F1618 Y1629 A1630 D1634S1614-M1616 WeakPolarHBondContact CB-O 3.19Å; S1614-M1616 PolarHBondContact O-N 2.73Å; S1614-M1616 PolarHBondContact OG-N 3.18Å; S1614-M1616 PolarHBondContact OG-O 2.75Å; M1616-F1618 VanDerWaalsContact C-N 3.28Å; M1616-F1618 VanDerWaalsContact CG-O 3.29Å; M1616-F1618 WeakPolarHBondContact CG-O 3.47Å; M1616-F1618 PolarHBondContact O-N 2.98Å; M1616-F1618 HydrophobicContact SD-CD1 4.23Å; M1616-F1618 HydrophobicContact SD-CE1 3.73Å; M1616-F1618 HydrophobicContact SD-CE2 4.17Å; M1616-F1618 HydrophobicContact SD-CZ 3.72Å; M1616-Y1629 HydrophobicContact CB-CE2 4.1Å; M1616-Y1629 HydrophobicContact CG-CD2 4.37Å; M1616-Y1629 HydrophobicContact CG-CE2 4.01Å; M1616-Y1629 VanDerWaalsContact O-CE2 3.32Å; M1616-Y1629 WeakPolarHBondContact O-CE2 3.49Å; M1616-Y1629 PolarHBondContact O-OH 2.78Å; M1616-Y1629 VanDerWaalsContact O-OH 3.06Å; M1616-A1630 HydrophobicContact CB-CB 4.36Å; M1616-A1630 HydrophobicContact CE-CB 4.48Å; M1616-A1630 HydrophobicContact CG-CB 4.43Å; M1616-D1634 HydrophobicContact CE-CB 3.72Å; M1616-D1634 WeakPolarHBondContact CE-O 3.21Å; M1616-D1634 HydrophobicContact SD-CB 4.13Å
1617P95Very high94.7Very high47 Ų4767.3 Ų67.331%0.30537%0.369SS..  trans-85.67179.833.7-33.9000113.7I1592 L1610 W1638I1592-P1617 HydrophobicContact CG2-CG 4.08Å; L1610-P1617 HydrophobicContact CD1-CB 4.17Å; P1617-W1638 HydrophobicContact CB-CZ2 4.26Å; P1617-W1638 HydrophobicContact CG-CZ2 3.97Å
1618F94.8Very high94.5Very high39 Ų3968.3 Ų68.317%0.17137%0.367CS..  trans-141173.9-177.763.8-81.6000111.6I1592 M1616 Y1629 D1634 K1635I1592-F1618 HydrophobicContact CB-CD1 3.9Å; I1592-F1618 HydrophobicContact CB-CE1 3.58Å; I1592-F1618 HydrophobicContact CB-CZ 4.21Å; I1592-F1618 HydrophobicContact CD1-CD1 4.03Å; I1592-F1618 HydrophobicContact CD1-CE1 4.37Å; I1592-F1618 HydrophobicContact CD1-CG 4.12Å; I1592-F1618 HydrophobicContact CG2-CD1 3.67Å; I1592-F1618 HydrophobicContact CG2-CE1 3.72Å; M1616-F1618 VanDerWaalsContact C-N 3.28Å; M1616-F1618 VanDerWaalsContact CG-O 3.29Å; M1616-F1618 WeakPolarHBondContact CG-O 3.47Å; M1616-F1618 PolarHBondContact O-N 2.98Å; M1616-F1618 HydrophobicContact SD-CD1 4.23Å; M1616-F1618 HydrophobicContact SD-CE1 3.73Å; M1616-F1618 HydrophobicContact SD-CE2 4.17Å; M1616-F1618 HydrophobicContact SD-CZ 3.72Å; F1618-Y1629 WeakPolarHBondContact O-CD2 3.06Å; F1618-D1634 HydrophobicContact CE2-CB 4.15Å; F1618-D1634 HydrophobicContact CZ-CB 3.91Å; F1618-K1635 WeakPolarHBondContact CE1-O 3.2Å
1619L94.2Very high94.2Very high97 Ų9773.8 Ų73.851%0.50839%0.389SS..  trans-134.9166.9170.258.877000109.2C1621 C1627 N1628 Y1629L1619-C1621 VanDerWaalsContact CD1-SG 3.54Å; L1619-C1627 HydrophobicContact CD1-CB 4.42Å; L1619-N1628 WeakPolarHBondContact CB-O 3.35Å; L1619-Y1629 HydrophobicContact CB-CD2 4.15Å
1620F93.1Very high93.9Very high66 Ų6674.4 Ų74.429%0.28939%0.394SS..EExtended strand (participates in β ladder)trans-123.6141.4168.865.3-90.4000110.4C1627 N1628 R1632 D1634F1620-C1627 CarbonylContact O-C 3.46Å; F1620-C1627 WeakPolarHBondContact O-CA 3.4Å; F1620-N1628 HydrophobicContact CD1-CB 4.38Å; F1620-N1628 HydrophobicContact CD2-CB 4.22Å; F1620-N1628 HydrophobicContact CE1-CB 3.85Å; F1620-N1628 HydrophobicContact CE2-CB 3.67Å; F1620-N1628 HydrophobicContact CZ-CB 3.46Å; F1620-N1628 VanDerWaalsContact CZ-CB 3.46Å; F1620-N1628 PolarHBondContact N-O 3.13Å; F1620-N1628 VanDerWaalsContact N-O 3.12Å; F1620-N1628 PolarHBondContact O-N 2.95Å; F1620-R1632 HydrophobicContact CE1-CB 3.77Å; F1620-R1632 HydrophobicContact CE1-CG 4.48Å; F1620-R1632 HydrophobicContact CZ-CB 4Å; F1620-D1634 WeakPolarHBondContact CD1-OD2 3.03Å; F1620-D1634 VanDerWaalsContact CE1-OD2 3.25Å; F1620-D1634 WeakPolarHBondContact CE1-OD2 3.4Å
1621C93.8Very high93.4Very high68 Ų6874.3 Ų74.346%0.45940%0.398SS..EExtended strand (participates in β ladder)trans-114.9141.1172.6-52.80000109.2L1619 V1626 C1627L1619-C1621 VanDerWaalsContact CD1-SG 3.54Å; C1621-V1626 WeakPolarHBondContact CA-O 3.47Å; C1621-C1627 HydrophobicContact CB-CB 4.07Å; C1621-C1627 WeakPolarHBondContact CB-SG 3.39Å; C1621-C1627 WeakPolarHBondContact SG-CB 3.46Å; C1621-C1627 CovalentContact SG-SG 2.04Å; C1621-C1627 PolarHBondContact SG-SG 2.89Å
1622D89.4Confident92.9Very high62 Ų6274.5 Ų74.533%0.33239%0.389SS..  trans-86.8175.9172.778.5-2.7000112.1N1624 N1625 V1626D1622-N1624 PolarHBondContact O-N 3.23Å; D1622-N1624 VanDerWaalsContact OD1-CA 3.3Å; D1622-N1624 WeakPolarHBondContact OD1-CA 3.34Å; D1622-N1624 VanDerWaalsContact OD1-CB 3.29Å; D1622-N1624 WeakPolarHBondContact OD1-CB 3.39Å; D1622-N1624 PolarHBondContact OD1-N 2.94Å; D1622-N1624 PolarHBondContact OD2-ND2 3.49Å; D1622-N1625 PolarHBondContact O-N 3.16Å; D1622-N1625 PolarHBondContact OD1-N 3.06Å; D1622-V1626 PolarHBondContact N-O 2.66Å; D1622-V1626 WeakPolarHBondContact OD1-CB 3.31Å; D1622-V1626 PolarHBondContact OD1-N 2.81Å
1623V92.8Very high92.5Very high139 Ų13970.7 Ų70.784%0.84238%0.384SS*.THydrogen-bonded Turntrans-69.9-6.2176.8-63.90000113.9
1624N93.2Very high92.4Very high112 Ų11268.3 Ų68.360%0.59937%0.374SS*.THydrogen-bonded Turntrans-93.11.6176.9-50.5-62.7000112D1622 V1626D1622-N1624 PolarHBondContact O-N 3.23Å; D1622-N1624 VanDerWaalsContact OD1-CA 3.3Å; D1622-N1624 WeakPolarHBondContact OD1-CA 3.34Å; D1622-N1624 VanDerWaalsContact OD1-CB 3.29Å; D1622-N1624 WeakPolarHBondContact OD1-CB 3.39Å; D1622-N1624 PolarHBondContact OD1-N 2.94Å; D1622-N1624 PolarHBondContact OD2-ND2 3.49Å; N1624-V1626 VanDerWaalsContact C-N 3.31Å; N1624-V1626 HydrophobicContact CB-CG2 4.27Å
1625N90.3Very high92.4Very high142 Ų14268.2 Ų68.276%0.75937%0.37SS*.SBendtrans6922.3-171.2-45.6-85.9000113.9D1622D1622-N1625 PolarHBondContact O-N 3.16Å; D1622-N1625 PolarHBondContact OD1-N 3.06Å
1626V92.7Very high92.4Very high77 Ų7767.4 Ų67.447%0.46737%0.365SS..  trans-91.3106.9172.7-174.60000109C1621 D1622 N1624 N1628C1621-V1626 WeakPolarHBondContact CA-O 3.47Å; D1622-V1626 PolarHBondContact N-O 2.66Å; D1622-V1626 WeakPolarHBondContact OD1-CB 3.31Å; D1622-V1626 PolarHBondContact OD1-N 2.81Å; N1624-V1626 VanDerWaalsContact C-N 3.31Å; N1624-V1626 HydrophobicContact CB-CG2 4.27Å; V1626-N1628 PolarHBondContact O-ND2 3.15Å
1627C94.3Very high92.5Very high75 Ų7567.1 Ų67.151%0.50736%0.364SS..EExtended strand (participates in β ladder)trans-90.9129.4175.5-600000111.2L1619 F1620 C1621L1619-C1627 HydrophobicContact CD1-CB 4.42Å; F1620-C1627 CarbonylContact O-C 3.46Å; F1620-C1627 WeakPolarHBondContact O-CA 3.4Å; C1621-C1627 HydrophobicContact CB-CB 4.07Å; C1621-C1627 WeakPolarHBondContact CB-SG 3.39Å; C1621-C1627 WeakPolarHBondContact SG-CB 3.46Å; C1621-C1627 CovalentContact SG-SG 2.04Å; C1621-C1627 PolarHBondContact SG-SG 2.89Å
1628N91.1Very high92.6Very high49 Ų4964.9 Ų64.926%0.26235%0.349SS..EExtended strand (participates in β ladder)trans-115127.7-179.3-67.9-94.3000109.1L1619 F1620 V1626L1619-N1628 WeakPolarHBondContact CB-O 3.35Å; F1620-N1628 HydrophobicContact CD1-CB 4.38Å; F1620-N1628 HydrophobicContact CD2-CB 4.22Å; F1620-N1628 HydrophobicContact CE1-CB 3.85Å; F1620-N1628 HydrophobicContact CE2-CB 3.67Å; F1620-N1628 HydrophobicContact CZ-CB 3.46Å; F1620-N1628 VanDerWaalsContact CZ-CB 3.46Å; F1620-N1628 PolarHBondContact N-O 3.13Å; F1620-N1628 VanDerWaalsContact N-O 3.12Å; F1620-N1628 PolarHBondContact O-N 2.95Å; V1626-N1628 PolarHBondContact O-ND2 3.15Å
1629Y92.8Very high92.7Very high115 Ų11563 Ų6345%0.45134%0.341SS..SBendtrans-121.1123177.2173.4-101.7000109.2S1614 M1616 F1618 L1619 S1631S1614-Y1629 PolarHBondContact OG-OH 3Å; M1616-Y1629 HydrophobicContact CB-CE2 4.1Å; M1616-Y1629 HydrophobicContact CG-CD2 4.37Å; M1616-Y1629 HydrophobicContact CG-CE2 4.01Å; M1616-Y1629 VanDerWaalsContact O-CE2 3.32Å; M1616-Y1629 WeakPolarHBondContact O-CE2 3.49Å; M1616-Y1629 PolarHBondContact O-OH 2.78Å; M1616-Y1629 VanDerWaalsContact O-OH 3.06Å; F1618-Y1629 WeakPolarHBondContact O-CD2 3.06Å; L1619-Y1629 HydrophobicContact CB-CD2 4.15Å; Y1629-S1631 PolarHBondContact O-N 3.34Å; Y1629-S1631 PolarHBondContact O-OG 3.01Å
1630A91.4Very high92.8Very high16 Ų1658.4 Ų58.413%0.13232%0.317CS..SBendtrans58.4-8.5-176.800000117.4M1616 R1632 A1733M1616-A1630 HydrophobicContact CB-CB 4.36Å; M1616-A1630 HydrophobicContact CE-CB 4.48Å; M1616-A1630 HydrophobicContact CG-CB 4.43Å; A1630-R1632 PolarHBondContact O-N 3.37Å; A1630-A1733 WeakPolarHBondContact O-CA 2.88Å; A1630-A1733 WeakPolarHBondContact O-CB 3.29Å
1631S87Confident92.8Very high55 Ų5555.4 Ų55.439%0.38530%0.304SS..  trans-6918.8177.1-58.60000116.4D523 Y1629D523-S1631 WeakPolarHBondContact OD2-CA 3.29Å; D523-S1631 WeakPolarHBondContact OD2-CB 3.1Å; D523-S1631 PolarHBondContact OD2-OG 2.94Å; Y1629-S1631 PolarHBondContact O-N 3.34Å; Y1629-S1631 PolarHBondContact O-OG 3.01Å
1632R86.8Confident92.4Very high92 Ų9255.9 Ų55.935%0.34731%0.305SS..SBendtrans-151.2159-180-171.4172.9-179.9-168-5.7111.3N1595 F1620 A1630 D1634N1595-R1632 PolarHBondContact OD1-NH1 2.87Å; N1595-R1632 PolarHBondContact OD1-NH2 2.77Å; F1620-R1632 HydrophobicContact CE1-CB 3.77Å; F1620-R1632 HydrophobicContact CE1-CG 4.48Å; F1620-R1632 HydrophobicContact CZ-CB 4Å; A1630-R1632 PolarHBondContact O-N 3.37Å; R1632-D1634 WeakPolarHBondContact CB-OD2 3.08Å; R1632-D1634 PolarHBondContact O-N 2.76Å
1633N89.2Confident92.3Very high127 Ų12756.7 Ų56.768%0.67931%0.306SS*.SBendtrans-65.122.8176.9-60.4-38.3000115.4
1634D93.2Very high91.9Very high5 Ų553.7 Ų53.73%0.02729%0.292CS..  trans-71.7160.1174.3-53.9-51.5000110.6E1593 N1595 M1616 F1618 F1620 R1632 G1732E1593-D1634 WeakPolarHBondContact O-CA 3.4Å; E1593-D1634 WeakPolarHBondContact O-CB 3.21Å; N1595-D1634 PolarHBondContact N-OD1 2.89Å; M1616-D1634 HydrophobicContact CE-CB 3.72Å; M1616-D1634 WeakPolarHBondContact CE-O 3.21Å; M1616-D1634 HydrophobicContact SD-CB 4.13Å; F1618-D1634 HydrophobicContact CE2-CB 4.15Å; F1618-D1634 HydrophobicContact CZ-CB 3.91Å; F1620-D1634 WeakPolarHBondContact CD1-OD2 3.03Å; F1620-D1634 VanDerWaalsContact CE1-OD2 3.25Å; F1620-D1634 WeakPolarHBondContact CE1-OD2 3.4Å; R1632-D1634 WeakPolarHBondContact CB-OD2 3.08Å; R1632-D1634 PolarHBondContact O-N 2.76Å; D1634-G1732 PolarHBondContact O-N 3.32Å; D1634-G1732 VanDerWaalsContact O-N 3.14Å
1635K94.5Very high91.8Very high27 Ų2752.7 Ų52.712%0.11729%0.286CS..EExtended strand (participates in β ladder)trans-141.5161.7-166.4-50.7178.7-175.2172.70113.6E1593 F1618 Y1637 E1729 C1730 N1731E1593-K1635 HydrophobicContact CB-CB 4.25Å; E1593-K1635 PolarHBondContact N-O 3.12Å; E1593-K1635 PolarHBondContact O-N 2.89Å; E1593-K1635 IonicContact OE1-NZ 3.58Å; F1618-K1635 WeakPolarHBondContact CE1-O 3.2Å; K1635-Y1637 HydrophobicContact CB-CE2 3.98Å; K1635-Y1637 HydrophobicContact CD-CE2 4.34Å; K1635-E1729 HydrophobicContact CD-CG 4.01Å; K1635-E1729 WeakPolarHBondContact CD-OE1 3.08Å; K1635-E1729 WeakPolarHBondContact CE-OE1 3.41Å; K1635-E1729 IonicContact NZ-OE1 2.62Å; K1635-E1729 PolarHBondContact NZ-OE1 3.14Å; K1635-C1730 WeakPolarHBondContact CA-O 3.24Å; K1635-C1730 WeakPolarHBondContact CB-O 3.49Å; K1635-N1731 WeakPolarHBondContact CE-OD1 3.45Å
1636S96.2Very high91.8Very high0 Ų047.1 Ų47.10%026%0.257CS..EExtended strand (participates in β ladder)trans-127.4149.1166.858.70000111.1T1615 W1638 C1730T1615-S1636 PolarHBondContact O-OG 3.03Å; S1636-W1638 PolarHBondContact OG-NE1 3.48Å; S1636-C1730 PolarHBondContact N-O 2.83Å; S1636-C1730 WeakPolarHBondContact O-CB 3.43Å; S1636-C1730 PolarHBondContact O-N 3.36Å
1637Y97.1Very high91.7Very high0 Ų052 Ų520%028%0.277CS..EExtended strand (participates in β ladder)trans-127131-178.3-66.1-100.9000109.5L1590 Y1591 E1593 K1635 A1702 A1703 F1727 I1728 E1729L1590-Y1637 WeakPolarHBondContact CB-O 3.13Å; L1590-Y1637 PolarHBondContact N-O 3.32Å; Y1591-Y1637 VanDerWaalsContact CD1-CB 3.48Å; Y1591-Y1637 HydrophobicContact CD1-CD2 4.04Å; Y1591-Y1637 AromaticContact CD1-CG 3.83Å; Y1591-Y1637 HydrophobicContact CD1-CG 3.83Å; Y1591-Y1637 AromaticContact CD2-CD2 3.61Å; Y1591-Y1637 HydrophobicContact CD2-CD2 3.61Å; Y1591-Y1637 HydrophobicContact CD2-CE2 4.06Å; Y1591-Y1637 HydrophobicContact CD2-CG 4.25Å; Y1591-Y1637 VanDerWaalsContact CE1-CB 3.45Å; Y1591-Y1637 AromaticContact CE1-CD1 3.72Å; Y1591-Y1637 HydrophobicContact CE1-CD1 3.72Å; Y1591-Y1637 AromaticContact CE1-CD2 3.68Å; Y1591-Y1637 HydrophobicContact CE1-CD2 3.68Å; Y1591-Y1637 HydrophobicContact CE1-CE1 4.28Å; Y1591-Y1637 HydrophobicContact CE1-CE2 4.27Å; Y1591-Y1637 AromaticContact CE1-CG 3.35Å; Y1591-Y1637 HydrophobicContact CE1-CG 3.35Å; Y1591-Y1637 HydrophobicContact CE2-CD1 4.47Å; Y1591-Y1637 AromaticContact CE2-CD2 3.24Å; Y1591-Y1637 HydrophobicContact CE2-CD2 3.24Å; Y1591-Y1637 HydrophobicContact CE2-CE1 4.49Å; Y1591-Y1637 AromaticContact CE2-CE2 3.3Å; Y1591-Y1637 HydrophobicContact CE2-CE2 3.3Å; Y1591-Y1637 AromaticContact CE2-CG 3.85Å; Y1591-Y1637 HydrophobicContact CE2-CG 3.85Å; Y1591-Y1637 AromaticContact CE2-CZ 3.93Å; Y1591-Y1637 HydrophobicContact CG-CD2 4.02Å; Y1591-Y1637 HydrophobicContact CG-CG 4.26Å; Y1591-Y1637 AromaticContact CZ-CD1 3.68Å; Y1591-Y1637 AromaticContact CZ-CD2 3.29Å; Y1591-Y1637 AromaticContact CZ-CE1 3.79Å; Y1591-Y1637 AromaticContact CZ-CE2 3.44Å; Y1591-Y1637 VanDerWaalsContact CZ-CE2 3.44Å; Y1591-Y1637 AromaticContact CZ-CG 3.39Å; Y1591-Y1637 AromaticContact CZ-CZ 3.65Å; Y1591-Y1637 PolarHBondContact N-O 3.06Å; Y1591-Y1637 PolarHBondContact O-N 3.29Å; Y1591-Y1637 VanDerWaalsContact OH-CE1 3.3Å; Y1591-Y1637 WeakPolarHBondContact OH-CE1 3.34Å; Y1591-Y1637 VanDerWaalsContact OH-CZ 3.24Å; E1593-Y1637 HydrophobicContact CB-CD2 4.49Å; E1593-Y1637 HydrophobicContact CB-CE2 3.8Å; E1593-Y1637 WeakPolarHBondContact OE2-CE2 3.31Å; E1593-Y1637 VanDerWaalsContact OE2-CZ 3.25Å; E1593-Y1637 PolarHBondContact OE2-OH 2.77Å; K1635-Y1637 HydrophobicContact CB-CE2 3.98Å; K1635-Y1637 HydrophobicContact CD-CE2 4.34Å; Y1637-A1702 HydrophobicContact CD1-CB 4.4Å; Y1637-A1702 HydrophobicContact CE1-CB 3.52Å; Y1637-A1703 VanDerWaalsContact OH-CB 3.28Å; Y1637-A1703 WeakPolarHBondContact OH-CB 3.47Å; Y1637-A1703 PolarHBondContact OH-N 3.17Å; Y1637-F1727 AromaticContact CD1-CD2 3.94Å; Y1637-F1727 HydrophobicContact CD1-CD2 3.94Å; Y1637-F1727 AromaticContact CD1-CE2 3.9Å; Y1637-F1727 HydrophobicContact CD1-CE2 3.9Å; Y1637-F1727 HydrophobicContact CE1-CE2 4.34Å; Y1637-I1728 WeakPolarHBondContact CA-O 3.43Å; Y1637-E1729 HydrophobicContact CD1-CB 3.63Å; Y1637-E1729 HydrophobicContact CD1-CG 3.98Å; Y1637-E1729 HydrophobicContact CE1-CB 3.39Å; Y1637-E1729 HydrophobicContact CE1-CG 3.34Å; Y1637-E1729 WeakPolarHBondContact CE1-OE2 3.34Å; Y1637-E1729 HydrophobicContact CE2-CG 4.39Å
1638W97.2Very high91.6Very high0 Ų055.1 Ų55.10%029%0.286CS..EExtended strand (participates in β ladder)trans-128.2141.6-169.5-57.380.6000109.6F1587 S1588 L1589 L1610 F1613 S1614 P1617 S1636 S1640 V1659 F1727 I1728F1587-W1638 HydrophobicContact CB-CE3 3.93Å; F1587-W1638 HydrophobicContact CB-CZ3 3.62Å; S1588-W1638 CarbonylContact O-C 3.49Å; S1588-W1638 WeakPolarHBondContact O-CA 3.31Å; L1589-W1638 HydrophobicContact CB-CE3 4.11Å; L1589-W1638 HydrophobicContact CB-CH2 4.43Å; L1589-W1638 HydrophobicContact CB-CZ3 3.93Å; L1589-W1638 HydrophobicContact CD1-CD2 4.28Å; L1589-W1638 HydrophobicContact CD1-CE3 4.43Å; L1589-W1638 HydrophobicContact CD1-CH2 4.31Å; L1589-W1638 HydrophobicContact CD1-CZ2 4.14Å; L1589-W1638 HydrophobicContact CD1-CZ3 4.44Å; L1610-W1638 HydrophobicContact CB-CH2 4.39Å; L1610-W1638 HydrophobicContact CB-CZ3 4.35Å; L1610-W1638 HydrophobicContact CD1-CH2 3.84Å; L1610-W1638 HydrophobicContact CD1-CZ3 4.36Å; F1613-W1638 AromaticContact CD2-CD2 3.81Å; F1613-W1638 HydrophobicContact CD2-CD2 3.81Å; F1613-W1638 AromaticContact CD2-CE2 3.65Å; F1613-W1638 AromaticContact CD2-CE3 3.99Å; F1613-W1638 HydrophobicContact CD2-CE3 3.99Å; F1613-W1638 HydrophobicContact CD2-CG 4.45Å; F1613-W1638 AromaticContact CD2-CH2 3.94Å; F1613-W1638 HydrophobicContact CD2-CH2 3.94Å; F1613-W1638 AromaticContact CD2-CZ2 3.73Å; F1613-W1638 HydrophobicContact CD2-CZ2 3.73Å; F1613-W1638 HydrophobicContact CD2-CZ3 4.07Å; F1613-W1638 AromaticContact CE2-CD1 3.77Å; F1613-W1638 AromaticContact CE2-CD2 3.68Å; F1613-W1638 HydrophobicContact CE2-CD2 3.68Å; F1613-W1638 AromaticContact CE2-CE2 3.43Å; F1613-W1638 VanDerWaalsContact CE2-CE2 3.43Å; F1613-W1638 HydrophobicContact CE2-CE3 4.33Å; F1613-W1638 AromaticContact CE2-CG 3.91Å; F1613-W1638 HydrophobicContact CE2-CG 3.91Å; F1613-W1638 AromaticContact CE2-CZ2 3.9Å; F1613-W1638 HydrophobicContact CE2-CZ2 3.9Å; F1613-W1638 AromaticContact CE2-NE1 3.47Å; S1614-W1638 VanDerWaalsContact O-CZ2 3.24Å; S1614-W1638 WeakPolarHBondContact O-CZ2 3.14Å; P1617-W1638 HydrophobicContact CB-CZ2 4.26Å; P1617-W1638 HydrophobicContact CG-CZ2 3.97Å; S1636-W1638 PolarHBondContact OG-NE1 3.48Å; W1638-S1640 PolarHBondContact O-N 3.45Å; W1638-V1659 HydrophobicContact CB-CG1 4.03Å; W1638-V1659 HydrophobicContact CB-CG2 4.34Å; W1638-V1659 HydrophobicContact CD2-CG1 4.41Å; W1638-V1659 HydrophobicContact CE3-CG1 4.19Å; W1638-V1659 HydrophobicContact CG-CG1 4.38Å; W1638-F1727 CarbonylContact O-C 3.53Å; W1638-F1727 WeakPolarHBondContact O-CA 3.43Å; W1638-F1727 WeakPolarHBondContact O-CB 3.25Å; W1638-I1728 HydrophobicContact CB-CG2 4.21Å; W1638-I1728 PolarHBondContact N-O 3.45Å; W1638-I1728 PolarHBondContact O-N 3.08Å
1639L96.9Very high91.7Very high0 Ų056 Ų560%029%0.294CS..EExtended strand (participates in β ladder)trans-60.4132.8174.4-157.778.8000108.8H1567 Q1569 S1588 L1603 S1660 L1719 P1726H1567-L1639 HydrophobicContact CB-CD2 3.59Å; Q1569-L1639 HydrophobicContact CG-CD2 3.81Å; S1588-L1639 PolarHBondContact O-N 3.04Å; L1603-L1639 HydrophobicContact CD1-CD1 3.89Å; L1639-S1660 WeakPolarHBondContact O-CB 3.05Å; L1639-S1660 PolarHBondContact O-N 3.29Å; L1639-L1719 HydrophobicContact CD1-CD1 4.21Å; L1639-L1719 HydrophobicContact CD1-CD2 4.39Å; L1639-L1719 HydrophobicContact CD2-CD2 4.01Å; L1639-P1726 WeakPolarHBondContact CA-O 3.37Å; L1639-P1726 VanDerWaalsContact CD1-O 3.28Å; L1639-P1726 WeakPolarHBondContact CD1-O 3.28Å; L1639-P1726 WeakPolarHBondContact CG-O 3.45Å
1640S95.2Very high91.8Very high0 Ų051 Ų510%028%0.275CS..BIsolated β-bridgetrans-86.5156.4-171.263.60000112.7W1638 H1658 T1725 P1726 F1727 Y1739W1638-S1640 PolarHBondContact O-N 3.45Å; S1640-H1658 WeakPolarHBondContact CA-O 3.32Å; S1640-T1725 PolarHBondContact OG-O 3.03Å; S1640-P1726 PolarHBondContact N-O 3.25Å; S1640-P1726 WeakPolarHBondContact OG-CA 3.47Å; S1640-P1726 PolarHBondContact OG-O 3.05Å; S1640-F1727 PolarHBondContact OG-N 2.92Å; S1640-Y1739 VanDerWaalsContact CB-OH 3.26Å; S1640-Y1739 WeakPolarHBondContact CB-OH 3.33Å
1641T94.1Very high91.9Very high2 Ų251.9 Ų51.91%0.01228%0.283CS..  trans-73.3-179.6168.161.90000112.8Q1569 T1571 E1643 Q1657 H1658 V1659 R1723Q1569-T1641 CarbonylContact O-C 3.54Å; Q1569-T1641 VanDerWaalsContact O-C 3.24Å; Q1569-T1641 WeakPolarHBondContact O-CA 3.41Å; T1571-T1641 HydrophobicContact CG2-CG2 4.03Å; T1641-E1643 PolarHBondContact O-N 3.15Å; T1641-E1643 WeakPolarHBondContact OG1-CB 3.3Å; T1641-E1643 PolarHBondContact OG1-N 3.01Å; T1641-Q1657 WeakPolarHBondContact CB-O 3.48Å; T1641-Q1657 VanDerWaalsContact CG2-O 3.3Å; T1641-Q1657 WeakPolarHBondContact CG2-O 3.43Å; T1641-Q1657 PolarHBondContact OG1-O 2.91Å; T1641-H1658 PolarHBondContact N-O 3.01Å; T1641-H1658 VanDerWaalsContact N-O 3.14Å; T1641-H1658 WeakPolarHBondContact OG1-CA 3.28Å; T1641-V1659 WeakPolarHBondContact CG2-O 3.28Å; T1641-R1723 PolarHBondContact O-NH1 3.5Å
1642T86Confident92Very high78 Ų7855.9 Ų55.948%0.47930%0.3SS..SBendtrans-76.93.4167.242.10000114.5Q1569 R1723Q1569-T1642 PolarHBondContact O-N 3.05Å; T1642-R1723 VanDerWaalsContact C-CZ 3.49Å; T1642-R1723 VanDerWaalsContact C-NH2 3.29Å; T1642-R1723 VanDerWaalsContact CA-CZ 3.45Å; T1642-R1723 PolarHBondContact O-NH2 2.95Å
1643E85.9Confident92.1Very high79 Ų7959.1 Ų59.137%0.36931%0.312SS..PPolyproline II helixtrans-65.7162.7-178.5-16841.4-113.800112.8T1641 R1723T1641-E1643 PolarHBondContact O-N 3.15Å; T1641-E1643 WeakPolarHBondContact OG1-CB 3.3Å; T1641-E1643 PolarHBondContact OG1-N 3.01Å; E1643-R1723 PolarHBondContact O-NH1 3.43Å; E1643-R1723 PolarHBondContact O-NH2 3.11Å
1644S85.9Confident92.3Very high76 Ų7658.7 Ų58.753%0.53131%0.306SS..PPolyproline II helixtrans-63.1154.9171.661.10000112.2P1646S1644-P1646 WeakPolarHBondContact O-CD 3.41Å
1645I90Very high92.4Very high92 Ų9258.6 Ų58.647%0.47231%0.306SS..PPolyproline II helixtrans-82.1118.7178.1-67.9175.1000108.5Y1739I1645-Y1739 HydrophobicContact CB-CD2 4.39Å; I1645-Y1739 HydrophobicContact CG1-CD2 4.18Å; I1645-Y1739 HydrophobicContact CG1-CE2 4.48Å; I1645-Y1739 HydrophobicContact CG1-CG 4.21Å; I1645-Y1739 HydrophobicContact CG2-CD2 3.89Å; I1645-Y1739 HydrophobicContact CG2-CG 4.11Å
1646P91.4Very high92.3Very high24 Ų2462.9 Ų62.916%0.15633%0.326CS..PPolyproline II helixtrans-69146179.129.1-35.7000111S1644 M1648 V1650 Y1739S1644-P1646 WeakPolarHBondContact O-CD 3.41Å; P1646-M1648 PolarHBondContact O-N 3.26Å; P1646-V1650 HydrophobicContact CB-CG1 3.83Å; P1646-V1650 HydrophobicContact CG-CG1 3.84Å; P1646-Y1739 HydrophobicContact CG-CD2 4.43Å
1647M89.7Confident92.2Very high180 Ų18068.4 Ų68.489%0.88735%0.352SS*.SBendtrans-74.4-10.3-178.8-71.3-64.9-58.900114.1
1648M92.4Very high92.1Very high141 Ų14168.8 Ų68.870%0.69535%0.354SS*.SBendtrans-143.4160-179.5-62.9-171.1-64.800109.3P1646 V1650 H1738P1646-M1648 PolarHBondContact O-N 3.26Å; M1648-V1650 PolarHBondContact O-N 3.11Å; M1648-H1738 VanDerWaalsContact C-CD2 3.41Å; M1648-H1738 PolarHBondContact O-CD2 2.89Å
1649P93.2Very high92.1Very high68 Ų6868.9 Ų68.944%0.44235%0.354SS..  trans-58.1126.5173-23.934.7000111.9T1736 C1737 H1738P1649-T1736 HydrophobicContact CB-CG2 4.35Å; P1649-C1737 WeakPolarHBondContact CA-O 3.42Å; P1649-H1738 HydrophobicContact CB-CB 4.01Å; P1649-H1738 HydrophobicContact CG-CB 4.05Å
1650V94.6Very high92.1Very high8 Ų868.9 Ų68.95%0.04835%0.354CS..EExtended strand (participates in β ladder)trans-83145.6176.7-74.20000110.7P1646 M1648 E1654 I1655 T1736 C1737P1646-V1650 HydrophobicContact CB-CG1 3.83Å; P1646-V1650 HydrophobicContact CG-CG1 3.84Å; M1648-V1650 PolarHBondContact O-N 3.11Å; V1650-E1654 HydrophobicContact CB-CB 3.83Å; V1650-E1654 HydrophobicContact CG1-CB 4.01Å; V1650-I1655 HydrophobicContact CB-CG1 4.47Å; V1650-I1655 HydrophobicContact CG2-CG1 4.06Å; V1650-I1655 WeakPolarHBondContact O-CG1 3.32Å; V1650-T1736 CarbonylContact O-C 3.49Å; V1650-T1736 VanDerWaalsContact O-CA 3.23Å; V1650-T1736 WeakPolarHBondContact O-CA 3.42Å; V1650-C1737 HydrophobicContact CG2-CB 4.35Å; V1650-C1737 VanDerWaalsContact CG2-O 3.32Å; V1650-C1737 WeakPolarHBondContact CG2-O 3.1Å; V1650-C1737 PolarHBondContact N-O 3.19Å; V1650-C1737 PolarHBondContact O-N 3Å
1651A93.1Very high92.3Very high35 Ų3570.5 Ų70.529%0.28936%0.36SS..EExtended strand (participates in β ladder)trans-122.7161.3-176.100000112.1R1653 E1654 T1736A1651-R1653 PolarHBondContact O-N 3.37Å; A1651-R1653 VanDerWaalsContact O-N 3.12Å; A1651-E1654 WeakPolarHBondContact O-CB 3.43Å; A1651-E1654 PolarHBondContact O-N 3.24Å; A1651-T1736 HydrophobicContact CB-CG2 3.8Å
1652D89.1Confident92.4Very high140 Ų14070.4 Ų70.475%0.74936%0.36SS*.G310 helixtrans44.9-113.8172.4-59.3-45.4000113.6I1655D1652-I1655 WeakPolarHBondContact O-CB 3.4Å
1653R89.8Confident93Very high159 Ų15966.8 Ų66.860%0.634%0.338SS*.G310 helixtrans-76.4-21-177.9-67.8-172179.8-173.62.8114.3D62 A1651 I1655 E1656D62-R1653 IonicContact OD1-CZ 2.64Å; D62-R1653 IonicContact OD1-NH1 3.25Å; D62-R1653 PolarHBondContact OD1-NH1 2.95Å; D62-R1653 IonicContact OD1-NH2 2.98Å; D62-R1653 PolarHBondContact OD1-NH2 3.09Å; D62-R1653 IonicContact OD2-NH1 2.65Å; D62-R1653 PolarHBondContact OD2-NH1 2.78Å; A1651-R1653 PolarHBondContact O-N 3.37Å; A1651-R1653 VanDerWaalsContact O-N 3.12Å; R1653-I1655 PolarHBondContact O-N 2.98Å; R1653-E1656 VanDerWaalsContact O-CB 3.29Å; R1653-E1656 WeakPolarHBondContact O-CB 3.49Å; R1653-E1656 PolarHBondContact O-N 2.78Å; R1653-E1656 VanDerWaalsContact O-N 3.13Å
1654E92.6Very high93.6Very high118 Ų11863 Ų6355%0.55132%0.32SS*.G310 helixtrans-68-22.1177.9-62.7-179.7170.700111.4V1650 A1651 E1656 H1658V1650-E1654 HydrophobicContact CB-CB 3.83Å; V1650-E1654 HydrophobicContact CG1-CB 4.01Å; A1651-E1654 WeakPolarHBondContact O-CB 3.43Å; A1651-E1654 PolarHBondContact O-N 3.24Å; E1654-E1656 VanDerWaalsContact C-N 3.28Å; E1654-E1656 PolarHBondContact O-N 3.3Å; E1654-H1658 PolarHBondContact O-CE1 3.49Å; E1654-H1658 PolarHBondContact O-ND1 2.87Å
1655I95.3Very high94Very high4 Ų459.4 Ų59.42%0.02130%0.295CS..G310 helixtrans-64.5-32.2173.2-60.6165.8000111.6F1613 T1615 V1650 D1652 R1653 Q1657 H1658 V1659 G1735 C1737F1613-I1655 HydrophobicContact CE1-CG2 3.68Å; F1613-I1655 HydrophobicContact CE2-CG2 4.28Å; F1613-I1655 HydrophobicContact CZ-CG2 3.49Å; F1613-I1655 VanDerWaalsContact CZ-CG2 3.49Å; T1615-I1655 HydrophobicContact CG2-CD1 3.95Å; V1650-I1655 HydrophobicContact CB-CG1 4.47Å; V1650-I1655 HydrophobicContact CG2-CG1 4.06Å; V1650-I1655 WeakPolarHBondContact O-CG1 3.32Å; D1652-I1655 WeakPolarHBondContact O-CB 3.4Å; R1653-I1655 PolarHBondContact O-N 2.98Å; I1655-Q1657 PolarHBondContact O-N 2.79Å; I1655-H1658 PolarHBondContact O-N 3.12Å; I1655-V1659 HydrophobicContact CG2-CG2 3.76Å; I1655-V1659 PolarHBondContact O-N 3.16Å; I1655-G1735 WeakPolarHBondContact CD1-O 3.33Å; I1655-C1737 HydrophobicContact CG1-CB 4.2Å; I1655-C1737 HydrophobicContact CG2-CB 4.27Å; I1655-C1737 WeakPolarHBondContact CG2-SG 3.09Å
1656E92.8Very high94.2Very high116 Ų11657.5 Ų57.554%0.54228%0.284SS..G310 helixtrans-58.8-35.8-176.3-169.4175.2-174.200112.1R1653 E1654 H1658R1653-E1656 VanDerWaalsContact O-CB 3.29Å; R1653-E1656 WeakPolarHBondContact O-CB 3.49Å; R1653-E1656 PolarHBondContact O-N 2.78Å; R1653-E1656 VanDerWaalsContact O-N 3.13Å; E1654-E1656 VanDerWaalsContact C-N 3.28Å; E1654-E1656 PolarHBondContact O-N 3.3Å; E1656-H1658 PolarHBondContact O-N 3.01Å
1657Q94.4Very high94.2Very high116 Ų11656.6 Ų56.654%0.54228%0.278SS..G310 helixtrans-69.3-16.1177.1-65.8-179.7-10.900113.8T1641 I1655T1641-Q1657 WeakPolarHBondContact CB-O 3.48Å; T1641-Q1657 VanDerWaalsContact CG2-O 3.3Å; T1641-Q1657 WeakPolarHBondContact CG2-O 3.43Å; T1641-Q1657 PolarHBondContact OG1-O 2.91Å; I1655-Q1657 PolarHBondContact O-N 2.79Å
1658H95.2Very high94.1Very high9 Ų951.7 Ų51.74%0.04226%0.261CS..G310 helixtrans-109.4-10-171.1-63.190.5000114.2S1640 T1641 E1654 I1655 E1656 I1728S1640-H1658 WeakPolarHBondContact CA-O 3.32Å; T1641-H1658 PolarHBondContact N-O 3.01Å; T1641-H1658 VanDerWaalsContact N-O 3.14Å; T1641-H1658 WeakPolarHBondContact OG1-CA 3.28Å; E1654-H1658 PolarHBondContact O-CE1 3.49Å; E1654-H1658 PolarHBondContact O-ND1 2.87Å; I1655-H1658 PolarHBondContact O-N 3.12Å; E1656-H1658 PolarHBondContact O-N 3.01Å; H1658-I1728 HydrophobicContact CB-CD1 3.84Å
1659V96.7Very high94Very high2 Ų245.2 Ų45.21%0.01223%0.23CC..BIsolated β-bridgetrans-105.4122.9-178.2177.50000111.5F1587 F1613 W1638 T1641 I1655 I1728F1587-V1659 HydrophobicContact CB-CG1 4.05Å; F1587-V1659 HydrophobicContact CD1-CG1 3.87Å; F1587-V1659 HydrophobicContact CG-CG1 4.45Å; F1613-V1659 HydrophobicContact CD2-CG1 4.11Å; F1613-V1659 HydrophobicContact CD2-CG2 4.24Å; F1613-V1659 HydrophobicContact CE2-CG1 4.33Å; F1613-V1659 HydrophobicContact CE2-CG2 3.75Å; F1613-V1659 HydrophobicContact CZ-CG2 4.27Å; W1638-V1659 HydrophobicContact CB-CG1 4.03Å; W1638-V1659 HydrophobicContact CB-CG2 4.34Å; W1638-V1659 HydrophobicContact CD2-CG1 4.41Å; W1638-V1659 HydrophobicContact CE3-CG1 4.19Å; W1638-V1659 HydrophobicContact CG-CG1 4.38Å; T1641-V1659 WeakPolarHBondContact CG2-O 3.28Å; I1655-V1659 HydrophobicContact CG2-CG2 3.76Å; I1655-V1659 PolarHBondContact O-N 3.16Å; V1659-I1728 HydrophobicContact CG2-CG2 4.34Å
1660S97.5Very high94Very high0 Ų046 Ų460%023%0.231CC..  trans-64136.5179.4178.30000112.2Q1569 S1570 S1588 L1639Q1569-S1660 VanDerWaalsContact CA-OG 3.26Å; Q1569-S1660 WeakPolarHBondContact CA-OG 3.43Å; Q1569-S1660 PolarHBondContact N-OG 3.4Å; S1570-S1660 WeakPolarHBondContact O-CA 3.38Å; S1588-S1660 VanDerWaalsContact CB-O 3.29Å; S1588-S1660 WeakPolarHBondContact CB-O 3.47Å; S1588-S1660 PolarHBondContact N-O 2.77Å; S1588-S1660 WeakPolarHBondContact OG-CB 3.37Å; S1588-S1660 PolarHBondContact OG-O 3.1Å; S1588-S1660 PolarHBondContact OG-OG 3.03Å; L1639-S1660 WeakPolarHBondContact O-CB 3.05Å; L1639-S1660 PolarHBondContact O-N 3.29Å
1661R97.8Very high93.9Very high34 Ų3446.7 Ų46.713%0.12824%0.235CC..EExtended strand (participates in β ladder)trans-74.6164.4164-58-61.3-64.2162.1-1111.9S1568 S1570 T1571 E1572 I1573 D1585 G1586 S1588S1568-R1661 PolarHBondContact N-O 2.85Å; S1568-R1661 VanDerWaalsContact N-O 3.11Å; S1568-R1661 PolarHBondContact OG-O 3.48Å; S1570-R1661 PolarHBondContact O-N 3.13Å; T1571-R1661 VanDerWaalsContact C-CG 3.48Å; T1571-R1661 WeakPolarHBondContact O-CG 3.39Å; E1572-R1661 WeakPolarHBondContact O-CB 3.29Å; I1573-R1661 HydrophobicContact CG1-CB 4.16Å; I1573-R1661 HydrophobicContact CG1-CG 4.06Å; D1585-R1661 IonicContact OD2-CZ 2.72Å; D1585-R1661 IonicContact OD2-NH2 3.76Å; D1585-R1661 PolarHBondContact OD2-NH2 3.39Å; G1586-R1661 CarbonylContact O-C 3.41Å; G1586-R1661 VanDerWaalsContact O-CA 3.31Å; G1586-R1661 WeakPolarHBondContact O-CA 3.36Å; G1586-R1661 PolarHBondContact O-NE 2.78Å; G1586-R1661 PolarHBondContact O-NH1 2.95Å; S1588-R1661 PolarHBondContact OG-O 3.03Å; S1588-R1661 VanDerWaalsContact OG-O 3.04Å
1662C97.8Very high94.1Very high0 Ų047.2 Ų47.20%023%0.232CC..EExtended strand (participates in β ladder)trans-147162.7173.256.70000111K1566 H1567 D1585 G1586 F1587 C1609K1566-C1662 CarbonylContact O-C 3.52Å; K1566-C1662 WeakPolarHBondContact O-CA 3.32Å; K1566-C1662 VanDerWaalsContact O-CB 3.29Å; K1566-C1662 WeakPolarHBondContact O-CB 3.09Å; H1567-C1662 WeakPolarHBondContact ND1-CB 3.45Å; D1585-C1662 WeakPolarHBondContact CA-O 3.41Å; D1585-C1662 WeakPolarHBondContact CB-O 3.04Å; G1586-C1662 PolarHBondContact N-O 3.49Å; G1586-C1662 PolarHBondContact O-N 3.02Å; G1586-C1662 PolarHBondContact O-SG 3.41Å; G1586-C1662 VanDerWaalsContact O-SG 3.35Å; F1587-C1662 VanDerWaalsContact C-SG 3.59Å; C1609-C1662 WeakPolarHBondContact CA-SG 3.21Å; C1609-C1662 HydrophobicContact CB-CB 3.91Å; C1609-C1662 WeakPolarHBondContact CB-SG 3.22Å; C1609-C1662 VanDerWaalsContact SG-C 3.53Å; C1609-C1662 WeakPolarHBondContact SG-CB 3.15Å; C1609-C1662 CovalentContact SG-SG 2.03Å; C1609-C1662 PolarHBondContact SG-SG 3.36Å
1663V97.9Very high94.5Very high2 Ų240.9 Ų40.91%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-131.8147.2170.377.20000109.3V1565 K1566 I1573 P1574 K1582 W1584 D1585V1565-V1663 WeakPolarHBondContact CA-O 3.35Å; K1566-V1663 HydrophobicContact CB-CG1 4.16Å; K1566-V1663 PolarHBondContact N-O 3.05Å; K1566-V1663 PolarHBondContact O-N 2.89Å; I1573-V1663 HydrophobicContact CG2-CB 4.41Å; P1574-V1663 HydrophobicContact CB-CG1 4.34Å; P1574-V1663 HydrophobicContact CG-CB 4.17Å; P1574-V1663 HydrophobicContact CG-CG1 3.98Å; P1574-V1663 VanDerWaalsContact O-CB 3.29Å; P1574-V1663 WeakPolarHBondContact O-CB 3.26Å; P1574-V1663 WeakPolarHBondContact O-CG1 3.28Å; K1582-V1663 HydrophobicContact CD-CG2 4.18Å; K1582-V1663 HydrophobicContact CG-CG2 3.93Å; W1584-V1663 VanDerWaalsContact O-CG2 3.31Å; W1584-V1663 WeakPolarHBondContact O-CG2 3.44Å; D1585-V1663 HydrophobicContact CB-CG2 4.39Å
1664V97.7Very high94.9Very high0 Ų034.7 Ų34.70%018%0.18CC..EExtended strand (participates in β ladder)trans-114.2125.5172.8-173.20000108.5V1563 I1564 V1565 L1583 W1584 A1606 C1609V1563-V1664 HydrophobicContact CG1-CG1 3.3Å; I1564-V1664 WeakPolarHBondContact O-CA 3.49Å; V1565-V1664 HydrophobicContact CG2-CG1 4.43Å; V1565-V1664 HydrophobicContact CG2-CG2 4.1Å; L1583-V1664 HydrophobicContact CD1-CG1 4.37Å; L1583-V1664 PolarHBondContact N-O 2.96Å; W1584-V1664 HydrophobicContact CD2-CB 3.92Å; W1584-V1664 HydrophobicContact CD2-CG1 4.47Å; W1584-V1664 HydrophobicContact CD2-CG2 4.05Å; W1584-V1664 VanDerWaalsContact CE2-CG2 3.44Å; W1584-V1664 HydrophobicContact CE3-CB 4.23Å; W1584-V1664 HydrophobicContact CE3-CG1 4.37Å; W1584-V1664 HydrophobicContact CG-CB 4.43Å; W1584-V1664 HydrophobicContact CG-CG2 4.45Å; W1584-V1664 HydrophobicContact CH2-CB 4.3Å; W1584-V1664 HydrophobicContact CH2-CG1 3.85Å; W1584-V1664 HydrophobicContact CH2-CG2 4.39Å; W1584-V1664 HydrophobicContact CZ2-CB 4.01Å; W1584-V1664 HydrophobicContact CZ2-CG1 3.97Å; W1584-V1664 HydrophobicContact CZ2-CG2 3.65Å; W1584-V1664 HydrophobicContact CZ3-CB 4.39Å; W1584-V1664 HydrophobicContact CZ3-CG1 4.06Å; W1584-V1664 PolarHBondContact N-O 3.12Å; W1584-V1664 PolarHBondContact O-N 3.29Å; A1606-V1664 HydrophobicContact CB-CG1 4.32Å; C1609-V1664 HydrophobicContact CB-CG2 3.51Å
1665C95.5Very high95.2Very high0 Ų031.1 Ų31.10%016%0.163CC..EExtended strand (participates in β ladder)trans-123.3139.3-174-490000111I1564 C1576 Q1580 H1581I1564-C1665 HydrophobicContact CB-CB 4.5Å; I1564-C1665 PolarHBondContact N-O 3.08Å; I1564-C1665 PolarHBondContact O-N 2.96Å; C1576-C1665 WeakPolarHBondContact CA-SG 3.5Å; C1576-C1665 HydrophobicContact CB-CB 3.88Å; C1576-C1665 WeakPolarHBondContact CB-SG 3.42Å; C1576-C1665 WeakPolarHBondContact SG-CB 3.48Å; C1576-C1665 CovalentContact SG-SG 2.04Å; C1576-C1665 PolarHBondContact SG-SG 2.76Å; Q1580-C1665 HydrophobicContact CB-CB 4.19Å; H1581-C1665 CarbonylContact O-C 2.83Å; H1581-C1665 VanDerWaalsContact O-CA 3.24Å; H1581-C1665 WeakPolarHBondContact O-CA 3.23Å
1666E94.1Very high95.2Very high52 Ų5232.6 Ų32.624%0.24317%0.174CC..EExtended strand (participates in β ladder)trans-78.2138165.3-169.9-170.9150.700109.7Q1580 H1581 L1583Q1580-E1666 CarbonylContact C-O 3.57Å; Q1580-E1666 WeakPolarHBondContact CA-O 3.48Å; Q1580-E1666 WeakPolarHBondContact CB-O 3.2Å; H1581-E1666 HydrophobicContact CB-CB 4.4Å; H1581-E1666 PolarHBondContact N-O 3.02Å; H1581-E1666 VanDerWaalsContact N-O 3.13Å; H1581-E1666 PolarHBondContact O-N 2.92Å; L1583-E1666 HydrophobicContact CD1-CB 4.21Å; L1583-E1666 HydrophobicContact CD2-CB 4.14Å; L1583-E1666 HydrophobicContact CG-CB 4.16Å
1667A90.3Very high95.3Very high4 Ų431.6 Ų31.63%0.03317%0.169CC..EExtended strand (participates in β ladder)trans-140.2153.8-177.300000112.8G1561 F1562 I1564 Q1580 A1669 I1781G1561-A1667 CarbonylContact C-O 3.5Å; G1561-A1667 WeakPolarHBondContact CA-O 2.99Å; F1562-A1667 PolarHBondContact N-O 2.69Å; F1562-A1667 PolarHBondContact O-N 3.29Å; I1564-A1667 HydrophobicContact CD1-CB 3.38Å; I1564-A1667 HydrophobicContact CG1-CB 3.75Å; Q1580-A1667 HydrophobicContact CG-CB 4.22Å; A1667-A1669 VanDerWaalsContact C-N 3.27Å; A1667-A1669 PolarHBondContact O-N 3.36Å; A1667-I1781 HydrophobicContact CB-CD1 4.08Å
1668S88.3Confident95.3Very high77 Ų7727.8 Ų27.854%0.53816%0.155SC..SBendtrans-71.7-12.5-176.451.10000115.3
1669A91.1Very high95.2Very high5 Ų530.8 Ų30.84%0.04118%0.177CC..SBendtrans-157.2160.2-170.900000113.7F1562 A1667 I1781 R1782 V1784F1562-A1669 WeakPolarHBondContact CB-O 3.19Å; F1562-A1669 VanDerWaalsContact CG-C 3.45Å; A1667-A1669 VanDerWaalsContact C-N 3.27Å; A1667-A1669 PolarHBondContact O-N 3.36Å; A1669-I1781 HydrophobicContact CB-CD1 4.33Å; A1669-I1781 HydrophobicContact CB-CG1 3.92Å; A1669-R1782 HydrophobicContact CB-CB 4.05Å; A1669-R1782 WeakPolarHBondContact CB-O 3.47Å; A1669-V1784 HydrophobicContact CB-CG2 3.56Å
1670N91.4Very high95.1Very high85 Ų8536.6 Ų36.646%0.45521%0.206SC..  trans-50.3144.9170.3-88.4-63.1000112.4F1562 W1688 R1782F1562-N1670 HydrophobicContact CD1-CB 4.37Å; F1562-N1670 VanDerWaalsContact CD1-OD1 3.29Å; F1562-N1670 WeakPolarHBondContact CD1-OD1 3.3Å; F1562-N1670 HydrophobicContact CE1-CB 4.41Å; F1562-N1670 WeakPolarHBondContact CE1-ND2 3.29Å; F1562-N1670 VanDerWaalsContact CE1-OD1 3.22Å; F1562-N1670 WeakPolarHBondContact CE1-OD1 3.25Å; F1562-N1670 WeakPolarHBondContact CZ-ND2 3.16Å; N1670-W1688 HydrophobicContact CB-CH2 4.28Å; N1670-W1688 WeakPolarHBondContact O-CZ3 3.41Å; N1670-R1782 PolarHBondContact O-N 3.22Å
1671V94.1Very high95Very high22 Ų2238.7 Ų38.713%0.13322%0.219CC..EExtended strand (participates in β ladder)trans-127.5138.1177-175.50000109.7I1564 L1691 P1715 V1779 C1780 I1781I1564-V1671 HydrophobicContact CD1-CG2 3.6Å; I1564-V1671 HydrophobicContact CG1-CB 4.47Å; I1564-V1671 HydrophobicContact CG1-CG2 3.65Å; V1671-L1691 HydrophobicContact CG1-CD1 3.78Å; V1671-L1691 HydrophobicContact CG2-CD1 4.11Å; V1671-P1715 HydrophobicContact CB-CG 4.38Å; V1671-P1715 HydrophobicContact CG1-CG 3.82Å; V1671-V1779 HydrophobicContact CG1-CG1 3.36Å; V1671-C1780 VanDerWaalsContact CA-O 3.27Å; V1671-C1780 WeakPolarHBondContact CA-O 3.36Å; V1671-C1780 WeakPolarHBondContact CG1-O 3.45Å; V1671-I1781 HydrophobicContact CG2-CB 3.89Å; V1671-I1781 HydrophobicContact CG2-CD1 4.11Å; V1671-I1781 HydrophobicContact CG2-CG1 3.83Å
1672I96.4Very high95Very high46 Ų4638.1 Ų38.124%0.23622%0.22CC..EExtended strand (participates in β ladder)trans-131.3155.5178.963.6179.9000111V1674 P1685 W1688 S1713 V1779 C1780I1672-V1674 HydrophobicContact CD1-CG1 4.11Å; I1672-V1674 HydrophobicContact CG1-CG1 4.47Å; I1672-P1685 HydrophobicContact CD1-CG 4.39Å; I1672-W1688 HydrophobicContact CB-CZ3 4.29Å; I1672-W1688 HydrophobicContact CD1-CD2 4.37Å; I1672-W1688 HydrophobicContact CD1-CE3 4.08Å; I1672-W1688 HydrophobicContact CD1-CH2 3.94Å; I1672-W1688 HydrophobicContact CD1-CZ2 4.19Å; I1672-W1688 HydrophobicContact CD1-CZ3 3.88Å; I1672-W1688 HydrophobicContact CG1-CE3 3.94Å; I1672-W1688 HydrophobicContact CG1-CH2 4.13Å; I1672-W1688 HydrophobicContact CG1-CZ3 3.65Å; I1672-W1688 HydrophobicContact CG2-CH2 3.9Å; I1672-W1688 HydrophobicContact CG2-CZ3 3.96Å; I1672-S1713 CarbonylContact C-O 3.52Å; I1672-S1713 VanDerWaalsContact CA-O 3.32Å; I1672-S1713 WeakPolarHBondContact CA-O 3.37Å; I1672-V1779 CarbonylContact O-C 3.57Å; I1672-V1779 WeakPolarHBondContact O-CA 3.47Å; I1672-C1780 HydrophobicContact CG1-CB 4.29Å; I1672-C1780 PolarHBondContact N-O 3.19Å; I1672-C1780 PolarHBondContact O-N 3.05Å
1673A98Very high95Very high7 Ų745.3 Ų45.36%0.05826%0.258CS..EExtended strand (participates in β ladder)trans-89.3144.4157.800000110.4S1713 S1714 C1718 V1779A1673-S1713 PolarHBondContact N-O 3.12Å; A1673-S1714 VanDerWaalsContact CB-O 3.31Å; A1673-S1714 WeakPolarHBondContact CB-O 3.43Å; A1673-C1718 HydrophobicContact CB-CB 4.2Å; A1673-V1779 HydrophobicContact CB-CG2 4.39Å
1674V98.3Very high95Very high30 Ų3046.4 Ų46.418%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-124.5141.6165.5-70.50000109.2I1672 P1682 P1685 C1777 Q1778I1672-V1674 HydrophobicContact CD1-CG1 4.11Å; I1672-V1674 HydrophobicContact CG1-CG1 4.47Å; V1674-P1682 HydrophobicContact CG2-CB 4.28Å; V1674-P1682 HydrophobicContact CG2-CG 4.03Å; V1674-P1682 VanDerWaalsContact O-CG 3.32Å; V1674-P1682 WeakPolarHBondContact O-CG 3.15Å; V1674-P1685 HydrophobicContact CG1-CG 4.26Å; V1674-C1777 CarbonylContact O-C 3.55Å; V1674-C1777 WeakPolarHBondContact O-CA 3.41Å; V1674-C1777 WeakPolarHBondContact O-CB 3.49Å; V1674-Q1778 HydrophobicContact CG2-CB 4.17Å; V1674-Q1778 WeakPolarHBondContact CG2-O 3.03Å; V1674-Q1778 PolarHBondContact N-O 3.08Å; V1674-Q1778 PolarHBondContact O-N 2.83Å
1675H97.9Very high94.9Very high42 Ų4248.9 Ų48.919%0.19428%0.282CS..EExtended strand (participates in β ladder)trans-122.8136.8-174.2-61.1-91.7000109.9S1696 L1712 S1717 L1748 C1777H1675-S1696 WeakPolarHBondContact ND1-CB 3.24Å; H1675-S1696 PolarHBondContact ND1-OG 2.73Å; H1675-L1712 PolarHBondContact CD2-O 3.15Å; H1675-L1712 PolarHBondContact NE2-O 3.39Å; H1675-L1712 VanDerWaalsContact NE2-O 3.07Å; H1675-S1717 PolarHBondContact CE1-OG 3.05Å; H1675-S1717 PolarHBondContact NE2-OG 2.79Å; H1675-L1748 HydrophobicContact CB-CD1 4.15Å; H1675-C1777 WeakPolarHBondContact ND1-CB 3.33Å
1676S96.2Very high94.9Very high36 Ų3661 Ų6125%0.25233%0.328SS..  trans-90.5-18.2-176.159.10000114.5S1678 I1680 R1776S1676-S1678 WeakPolarHBondContact CB-OG 3.17Å; S1676-S1678 PolarHBondContact O-N 2.04Å; S1676-S1678 VanDerWaalsContact O-N 3.1Å; S1676-S1678 PolarHBondContact OG-N 3.43Å; S1676-S1678 PolarHBondContact OG-O 2.63Å; S1676-S1678 VanDerWaalsContact OG-O 3.04Å; S1676-S1678 PolarHBondContact OG-OG 2.98Å; S1676-I1680 WeakPolarHBondContact CB-O 3.41Å; S1676-I1680 PolarHBondContact OG-O 3.19Å; S1676-R1776 PolarHBondContact N-O 3.43Å; S1676-R1776 PolarHBondContact OG-O 2.67Å
1677Q95.5Very high94.9Very high94 Ų9461 Ų6144%0.43934%0.341SS..SBendtrans49.230.6-164.2-64.5-174.9-116.200112.6T1750 I1751 S1775Q1677-T1750 CarbonylContact O-C 3.49Å; Q1677-T1750 VanDerWaalsContact O-CA 3.26Å; Q1677-T1750 WeakPolarHBondContact O-CA 3.48Å; Q1677-I1751 PolarHBondContact O-N 3.28Å; Q1677-S1775 VanDerWaalsContact CA-OG 3.26Å; Q1677-S1775 WeakPolarHBondContact CA-OG 3.38Å; Q1677-S1775 PolarHBondContact N-OG 3Å
1678S94.4Very high95.2Very high36 Ų3663.3 Ų63.325%0.25235%0.349SS..SBendtrans-145.7173.5177.476.40000111.1S1676 I1680 S1775 R1776S1676-S1678 WeakPolarHBondContact CB-OG 3.17Å; S1676-S1678 PolarHBondContact O-N 2.04Å; S1676-S1678 VanDerWaalsContact O-N 3.1Å; S1676-S1678 PolarHBondContact OG-N 3.43Å; S1676-S1678 PolarHBondContact OG-O 2.63Å; S1676-S1678 VanDerWaalsContact OG-O 3.04Å; S1676-S1678 PolarHBondContact OG-OG 2.98Å; S1678-I1680 PolarHBondContact O-N 3.11Å; S1678-I1680 PolarHBondContact OG-N 3.04Å; S1678-I1680 PolarHBondContact OG-O 3.27Å; S1678-S1775 WeakPolarHBondContact O-CA 3Å; S1678-R1776 PolarHBondContact O-N 3.43Å
1679S92Very high95.5Very high72 Ų7262.1 Ų62.150%0.50334%0.341SS..SBendtrans-75.1-8.7176.6560000113.4R1776S1679-R1776 WeakPolarHBondContact O-CG 3.47Å
1680I94.5Very high95.6Very high124 Ų12464 Ų6464%0.63636%0.36SS*.SBendtrans-90.4137.8178.7-54.3176.6000108.4S1676 S1678 R1776S1676-I1680 WeakPolarHBondContact CB-O 3.41Å; S1676-I1680 PolarHBondContact OG-O 3.19Å; S1678-I1680 PolarHBondContact O-N 3.11Å; S1678-I1680 PolarHBondContact OG-N 3.04Å; S1678-I1680 PolarHBondContact OG-O 3.27Å; I1680-R1776 WeakPolarHBondContact O-CB 3.35Å
1681V96.9Very high95.7Very high44 Ų4462.1 Ų62.127%0.26735%0.35SS..PPolyproline II helixtrans-66.9128.8174.3178.60000108.9D1693 R1776 Q1778V1681-D1693 HydrophobicContact CG1-CB 3.81Å; V1681-D1693 HydrophobicContact CG2-CB 4.27Å; V1681-R1776 HydrophobicContact CG2-CB 4.17Å; V1681-R1776 HydrophobicContact CG2-CG 4.36Å; V1681-Q1778 HydrophobicContact CG1-CB 4.03Å
1682P96.7Very high95.7Very high22 Ų2262.4 Ų62.414%0.14335%0.349CS..PPolyproline II helixtrans-70.3137.5176.428.1-31.5000110.8V1674 Q1778V1674-P1682 HydrophobicContact CG2-CB 4.28Å; V1674-P1682 HydrophobicContact CG2-CG 4.03Å; V1674-P1682 VanDerWaalsContact O-CG 3.32Å; V1674-P1682 WeakPolarHBondContact O-CG 3.15Å; P1682-Q1778 HydrophobicContact CG-CB 4.37Å; P1682-Q1778 WeakPolarHBondContact O-CB 3.39Å; P1682-Q1778 PolarHBondContact O-OE1 3.33Å
1683D97.4Very high95.7Very high151 Ų15163.6 Ų63.681%0.80736%0.356SS*.PPolyproline II helixtrans-66.5141.3171-72.5-53.6000111.6
1684C97.7Very high95.6Very high26 Ų2663.2 Ų63.218%0.17635%0.353CS..PPolyproline II helixtrans-58.8143.9168.7-72.60000112.4W1688 G1690 Q1778 C1780C1684-W1688 HydrophobicContact CB-CB 4.19Å; C1684-G1690 VanDerWaalsContact SG-CA 3.55Å; C1684-Q1778 VanDerWaalsContact N-OE1 3.15Å; C1684-Q1778 VanDerWaalsContact SG-CD 3.59Å; C1684-Q1778 PolarHBondContact SG-OE1 3.5Å; C1684-C1780 WeakPolarHBondContact CA-SG 3.37Å; C1684-C1780 HydrophobicContact CB-CB 3.86Å; C1684-C1780 WeakPolarHBondContact CB-SG 3.37Å; C1684-C1780 WeakPolarHBondContact SG-CB 3.28Å; C1684-C1780 CovalentContact SG-SG 2.03Å; C1684-C1780 PolarHBondContact SG-SG 3.17Å
1685P97Very high95.5Very high51 Ų5163.4 Ų63.433%0.33135%0.35SS..PPolyproline II helixtrans-59.1153.6176.3-23.133.5000112.9I1672 V1674 G1687 W1688I1672-P1685 HydrophobicContact CD1-CG 4.39Å; V1674-P1685 HydrophobicContact CG1-CG 4.26Å; P1685-G1687 PolarHBondContact O-N 2.87Å; P1685-W1688 HydrophobicContact CB-CG 4.37Å; P1685-W1688 VanDerWaalsContact O-CB 3.32Å; P1685-W1688 WeakPolarHBondContact O-CB 3.5Å; P1685-W1688 PolarHBondContact O-N 3.44Å
1686R95.7Very high95.5Very high255 Ų25561.4 Ų61.496%0.96234%0.341SS*.THydrogen-bonded Turntrans-56129.1178.4-69.1-175.2178.6-178.10111.1
1687G93.7Very high95.5Very high51 Ų5159.7 Ų59.753%0.52633%0.329SS..THydrogen-bonded Turntrans86.213.6-173.600000114.6P1685 S1783P1685-G1687 PolarHBondContact O-N 2.87Å; G1687-S1783 PolarHBondContact O-N 3.37Å
1688W95.9Very high95.6Very high53 Ų5356.2 Ų56.220%0.20132%0.317CS..EExtended strand (participates in β ladder)trans-126.4156.6173.4-57.365.5000110.2N1670 I1672 C1684 P1685 C1780 I1781 R1782N1670-W1688 HydrophobicContact CB-CH2 4.28Å; N1670-W1688 WeakPolarHBondContact O-CZ3 3.41Å; I1672-W1688 HydrophobicContact CB-CZ3 4.29Å; I1672-W1688 HydrophobicContact CD1-CD2 4.37Å; I1672-W1688 HydrophobicContact CD1-CE3 4.08Å; I1672-W1688 HydrophobicContact CD1-CH2 3.94Å; I1672-W1688 HydrophobicContact CD1-CZ2 4.19Å; I1672-W1688 HydrophobicContact CD1-CZ3 3.88Å; I1672-W1688 HydrophobicContact CG1-CE3 3.94Å; I1672-W1688 HydrophobicContact CG1-CH2 4.13Å; I1672-W1688 HydrophobicContact CG1-CZ3 3.65Å; I1672-W1688 HydrophobicContact CG2-CH2 3.9Å; I1672-W1688 HydrophobicContact CG2-CZ3 3.96Å; C1684-W1688 HydrophobicContact CB-CB 4.19Å; P1685-W1688 HydrophobicContact CB-CG 4.37Å; P1685-W1688 VanDerWaalsContact O-CB 3.32Å; P1685-W1688 WeakPolarHBondContact O-CB 3.5Å; P1685-W1688 PolarHBondContact O-N 3.44Å; W1688-C1780 HydrophobicContact CB-CB 4.11Å; W1688-C1780 HydrophobicContact CE3-CB 4.11Å; W1688-I1781 CarbonylContact C-O 3.51Å; W1688-I1781 VanDerWaalsContact CA-O 3.24Å; W1688-I1781 WeakPolarHBondContact CA-O 3.41Å; W1688-I1781 WeakPolarHBondContact CB-O 3.34Å; W1688-I1781 VanDerWaalsContact CE3-C 3.41Å; W1688-R1782 HydrophobicContact CD2-CB 3.83Å; W1688-R1782 HydrophobicContact CD2-CG 4.31Å; W1688-R1782 HydrophobicContact CE3-CB 3.8Å; W1688-R1782 HydrophobicContact CG-CB 4.5Å; W1688-R1782 HydrophobicContact CH2-CB 3.98Å; W1688-R1782 HydrophobicContact CZ2-CB 4.03Å; W1688-R1782 HydrophobicContact CZ2-CG 4.29Å; W1688-R1782 HydrophobicContact CZ3-CB 3.86Å
1689S94.1Very high95.6Very high53 Ų5358.4 Ų58.437%0.37132%0.324SS..EExtended strand (participates in β ladder)trans-127.5144.5178.154.90000110.7C1780 I1781S1689-C1780 CarbonylContact O-C 3.56Å; S1689-C1780 WeakPolarHBondContact O-CA 3.32Å; S1689-I1781 PolarHBondContact N-O 3.39Å; S1689-I1781 PolarHBondContact O-N 2.91Å; S1689-I1781 WeakPolarHBondContact OG-CG2 3.32Å
1690G93.8Very high95.8Very high43 Ų4355 Ų5544%0.44330%0.3SS..EExtended strand (participates in β ladder)trans-74.8138.1-176.600000113C1684C1684-G1690 VanDerWaalsContact SG-CA 3.55Å
1691L93.7Very high95.9Very high46 Ų4650.1 Ų50.124%0.24128%0.276CS..EExtended strand (participates in β ladder)trans-102.2-40.8173.7-65.2-176.8000112.7I1564 V1671 V1779 I1781I1564-L1691 HydrophobicContact CD1-CD1 3.83Å; V1671-L1691 HydrophobicContact CG1-CD1 3.78Å; V1671-L1691 HydrophobicContact CG2-CD1 4.11Å; L1691-V1779 HydrophobicContact CD1-CG1 4.38Å; L1691-V1779 PolarHBondContact N-O 3.33Å; L1691-I1781 HydrophobicContact CD1-CB 4.07Å; L1691-I1781 HydrophobicContact CD1-CG2 4.46Å; L1691-I1781 HydrophobicContact CD2-CB 4.16Å; L1691-I1781 HydrophobicContact CD2-CG2 3.65Å; L1691-I1781 HydrophobicContact CG-CB 4.07Å; L1691-I1781 HydrophobicContact CG-CG2 3.97Å
1692W95Very high95.7Very high29 Ų2948.2 Ų48.211%0.1127%0.265CS..EExtended strand (participates in β ladder)trans-161.9160.8170.765.591000110.3I1564 V1565 K1566 P1715 C1718 Q1720 Q1778 V1779I1564-W1692 HydrophobicContact CG2-CH2 4.14Å; I1564-W1692 HydrophobicContact CG2-CZ3 4.11Å; V1565-W1692 WeakPolarHBondContact O-CH2 3.19Å; K1566-W1692 HydrophobicContact CD-CE3 4.44Å; K1566-W1692 HydrophobicContact CD-CZ3 4.2Å; K1566-W1692 HydrophobicContact CG-CE3 4.28Å; K1566-W1692 HydrophobicContact CG-CH2 3.89Å; K1566-W1692 HydrophobicContact CG-CZ3 3.66Å; W1692-P1715 HydrophobicContact CH2-CB 3.97Å; W1692-P1715 HydrophobicContact CZ2-CB 3.87Å; W1692-C1718 PolarHBondContact NE1-O 2.91Å; W1692-Q1720 HydrophobicContact CB-CG 4.19Å; W1692-Q1720 HydrophobicContact CG-CG 3.89Å; W1692-Q1720 VanDerWaalsContact CG-NE2 3.3Å; W1692-Q1778 WeakPolarHBondContact O-CG 3.05Å; W1692-V1779 HydrophobicContact CD2-CB 3.88Å; W1692-V1779 HydrophobicContact CD2-CG1 4.33Å; W1692-V1779 HydrophobicContact CD2-CG2 4.11Å; W1692-V1779 VanDerWaalsContact CE2-CG2 3.47Å; W1692-V1779 HydrophobicContact CE3-CB 4.23Å; W1692-V1779 HydrophobicContact CE3-CG1 4.26Å; W1692-V1779 HydrophobicContact CG-CB 4.35Å; W1692-V1779 HydrophobicContact CG-CG2 4.49Å; W1692-V1779 HydrophobicContact CH2-CB 4.34Å; W1692-V1779 HydrophobicContact CH2-CG1 3.83Å; W1692-V1779 HydrophobicContact CH2-CG2 4.45Å; W1692-V1779 HydrophobicContact CZ2-CB 4.01Å; W1692-V1779 HydrophobicContact CZ2-CG1 3.91Å; W1692-V1779 HydrophobicContact CZ2-CG2 3.7Å; W1692-V1779 HydrophobicContact CZ3-CB 4.43Å; W1692-V1779 HydrophobicContact CZ3-CG1 3.99Å; W1692-V1779 PolarHBondContact O-N 3.37Å
1693D96.3Very high95.4Very high70 Ų7047.7 Ų47.737%0.37426%0.263SS..EExtended strand (participates in β ladder)trans-109.6169.3166.875.6-78.9000111.4V1681 R1776 C1777V1681-D1693 HydrophobicContact CG1-CB 3.81Å; V1681-D1693 HydrophobicContact CG2-CB 4.27Å; D1693-R1776 IonicContact OD2-CZ 2.8Å; D1693-R1776 IonicContact OD2-NH2 3.44Å; D1693-R1776 PolarHBondContact OD2-NH2 3.01Å; D1693-C1777 WeakPolarHBondContact CA-O 3.44Å
1694G95.5Very high94.8Very high0 Ų044.2 Ų44.20%026%0.262CS..EExtended strand (participates in β ladder)trans-177.9-148.8-177.500000114.7L1719 R1776 C1777G1694-L1719 CarbonylContact C-O 3.58Å; G1694-L1719 VanDerWaalsContact CA-O 3.3Å; G1694-L1719 WeakPolarHBondContact CA-O 3.38Å; G1694-R1776 WeakPolarHBondContact O-CA 3.15Å; G1694-R1776 WeakPolarHBondContact O-CD 3.44Å; G1694-R1776 PolarHBondContact O-NE 3.33Å; G1694-C1777 PolarHBondContact N-O 3.48Å; G1694-C1777 PolarHBondContact O-N 3.12Å; G1694-C1777 VanDerWaalsContact O-N 3.17Å
1695Y96.3Very high94.3Very high33 Ų3346.6 Ų46.613%0.12928%0.284CS..EExtended strand (participates in β ladder)trans-123.9142.9-177-61.7-84.9000111.5F1697 L1719 F1722 I1771 L1774 C1777Y1695-F1697 PolarHBondContact O-N 3.37Å; Y1695-L1719 PolarHBondContact N-O 2.81Å; Y1695-L1719 PolarHBondContact O-N 3.31Å; Y1695-F1722 HydrophobicContact CD1-CB 4.23Å; Y1695-F1722 HydrophobicContact CD2-CB 3.74Å; Y1695-F1722 HydrophobicContact CE2-CB 4.07Å; Y1695-F1722 HydrophobicContact CG-CB 3.82Å; Y1695-I1771 HydrophobicContact CE1-CG2 3.98Å; Y1695-L1774 HydrophobicContact CD1-CB 4.04Å; Y1695-C1777 PolarHBondContact N-SG 3.4Å; Y1695-C1777 VanDerWaalsContact N-SG 3.37Å
1696S97.2Very high94Very high0 Ų046.3 Ų46.30%028%0.278CS..EExtended strand (participates in β ladder)trans-8085.1-168.4-540000112.7H1675 S1717 W1747 L1748 S1775 R1776H1675-S1696 WeakPolarHBondContact ND1-CB 3.24Å; H1675-S1696 PolarHBondContact ND1-OG 2.73Å; S1696-S1717 CarbonylContact C-O 3.5Å; S1696-W1747 CarbonylContact O-C 3.56Å; S1696-W1747 WeakPolarHBondContact O-CA 3.3Å; S1696-W1747 WeakPolarHBondContact O-CB 3.48Å; S1696-L1748 PolarHBondContact O-N 2.82Å; S1696-S1775 VanDerWaalsContact CB-O 3.31Å; S1696-S1775 WeakPolarHBondContact CB-O 3.17Å; S1696-S1775 PolarHBondContact N-O 3.21Å; S1696-S1775 VanDerWaalsContact OG-C 3.3Å; S1696-S1775 WeakPolarHBondContact OG-CB 3.37Å; S1696-S1775 PolarHBondContact OG-O 3.47Å; S1696-S1775 PolarHBondContact OG-OG 3.24Å; S1696-R1776 PolarHBondContact OG-O 2.88Å
1697F96.8Very high93.9Very high0 Ų034.7 Ų34.70%024%0.238CC..EExtended strand (participates in β ladder)trans-79.8113.7178.1-179.8-130.1000110.5L1590 L1603 Y1695 M1699 H1700 Q1710 S1717 L1719 P1726 W1747L1590-F1697 HydrophobicContact CD1-CE1 4.21Å; L1603-F1697 HydrophobicContact CD1-CD1 4.22Å; L1603-F1697 HydrophobicContact CD1-CE1 4.01Å; Y1695-F1697 PolarHBondContact O-N 3.37Å; F1697-M1699 WeakPolarHBondContact CE2-O 3.09Å; F1697-H1700 HydrophobicContact CE2-CB 4.16Å; F1697-H1700 HydrophobicContact CZ-CB 3.94Å; F1697-H1700 AromaticContact CZ-ND1 3.57Å; F1697-Q1710 HydrophobicContact CD1-CG 3.73Å; F1697-Q1710 HydrophobicContact CE1-CG 3.89Å; F1697-S1717 PolarHBondContact N-O 3.37Å; F1697-S1717 WeakPolarHBondContact O-CA 3.44Å; F1697-S1717 WeakPolarHBondContact O-CB 3.33Å; F1697-L1719 HydrophobicContact CB-CD1 3.88Å; F1697-L1719 HydrophobicContact CB-CG 4.03Å; F1697-L1719 HydrophobicContact CD1-CD1 3.63Å; F1697-L1719 HydrophobicContact CD1-CG 4.14Å; F1697-L1719 HydrophobicContact CD2-CD1 4.41Å; F1697-L1719 HydrophobicContact CE1-CD1 4.24Å; F1697-L1719 HydrophobicContact CG-CD1 3.73Å; F1697-L1719 HydrophobicContact CG-CG 4.33Å; F1697-P1726 HydrophobicContact CE2-CG 4.09Å; F1697-P1726 HydrophobicContact CZ-CG 4.39Å; F1697-W1747 HydrophobicContact CB-CD2 4.47Å; F1697-W1747 HydrophobicContact CB-CE3 3.88Å; F1697-W1747 HydrophobicContact CB-CH2 4.14Å; F1697-W1747 HydrophobicContact CB-CZ3 3.68Å; F1697-W1747 HydrophobicContact CD2-CD2 4.31Å; F1697-W1747 HydrophobicContact CD2-CH2 4.3Å; F1697-W1747 HydrophobicContact CD2-CZ2 4.09Å; F1697-W1747 HydrophobicContact CD2-CZ3 4.49Å; F1697-W1747 HydrophobicContact CG-CH2 4.46Å; F1697-W1747 HydrophobicContact CG-CZ3 4.45Å
1698A96.2Very high93.9Very high22 Ų2233 Ų3318%0.18222%0.221CC..EExtended strand (participates in β ladder)trans-99.3-49.3-173.700000112.6G1709 Q1710 L1712 F1746 L1748A1698-G1709 CarbonylContact O-C 3.51Å; A1698-G1709 VanDerWaalsContact O-CA 3.23Å; A1698-G1709 WeakPolarHBondContact O-CA 3.22Å; A1698-Q1710 PolarHBondContact O-N 2.75Å; A1698-L1712 HydrophobicContact CB-CD2 4.43Å; A1698-F1746 PolarHBondContact N-O 3.28Å; A1698-L1748 HydrophobicContact CB-CD2 4.44Å
1699M96.2Very high93.7Very high82 Ų8232.5 Ų32.540%0.40423%0.231SC..EExtended strand (participates in β ladder)trans-159.6173-17961.7178.7-75.300113.3F1697 T1701 G1708 F1746F1697-M1699 WeakPolarHBondContact CE2-O 3.09Å; M1699-T1701 HydrophobicContact CE-CG2 4.36Å; M1699-G1708 CarbonylContact C-O 3.53Å; M1699-G1708 WeakPolarHBondContact CA-O 3.23Å; M1699-G1708 WeakPolarHBondContact CB-O 3.22Å; M1699-F1746 HydrophobicContact CE-CD2 4.38Å; M1699-F1746 HydrophobicContact CE-CE2 4.45Å; M1699-F1746 HydrophobicContact CG-CB 3.49Å; M1699-F1746 VanDerWaalsContact CG-CB 3.49Å; M1699-F1746 HydrophobicContact CG-CD2 3.79Å; M1699-F1746 HydrophobicContact CG-CG 3.74Å; M1699-F1746 PolarHBondContact N-O 2.87Å; M1699-F1746 PolarHBondContact O-N 3.22Å
1700H95.8Very high93.8Very high0 Ų030.5 Ų30.50%022%0.216CC..EExtended strand (participates in β ladder)trans-150.3155.2-179.458.6-87.4000111.3Y1591 N1600 F1697 G1708 F1727 Y1744Y1591-H1700 AromaticContact CD1-CD2 3.76Å; Y1591-H1700 AromaticContact CD1-NE2 3.16Å; Y1591-H1700 WeakPolarHBondContact CD1-NE2 3.23Å; Y1591-H1700 AromaticContact CE1-CD2 3.4Å; Y1591-H1700 VanDerWaalsContact CE1-CD2 3.4Å; Y1591-H1700 WeakPolarHBondContact CE1-CD2 3.15Å; Y1591-H1700 AromaticContact CE1-NE2 3.34Å; Y1591-H1700 VanDerWaalsContact CE1-NE2 3.34Å; Y1591-H1700 WeakPolarHBondContact CE1-NE2 3.11Å; N1600-H1700 PolarHBondContact OD1-CE1 2.84Å; N1600-H1700 PolarHBondContact OD1-NE2 3.2Å; F1697-H1700 HydrophobicContact CE2-CB 4.16Å; F1697-H1700 HydrophobicContact CZ-CB 3.94Å; F1697-H1700 AromaticContact CZ-ND1 3.57Å; H1700-G1708 PolarHBondContact CE1-O 3.11Å; H1700-G1708 VanDerWaalsContact CE1-O 3.27Å; H1700-G1708 PolarHBondContact N-O 3.36Å; H1700-G1708 PolarHBondContact ND1-O 2.84Å; H1700-G1708 VanDerWaalsContact ND1-O 3.12Å; H1700-G1708 PolarHBondContact NE2-N 2.59Å; H1700-G1708 PolarHBondContact O-N 3.2Å; H1700-F1727 HydrophobicContact CB-CD1 4.27Å; H1700-F1727 HydrophobicContact CB-CE1 3.7Å; H1700-F1727 HydrophobicContact CB-CZ 4.17Å; H1700-Y1744 VanDerWaalsContact CA-O 3.27Å; H1700-Y1744 WeakPolarHBondContact CA-O 3.31Å
1701T95.5Very high93.9Very high22 Ų2231.3 Ų31.314%0.13521%0.214CC..EExtended strand (participates in β ladder)trans-144.1153173.355.90000111.5M1699 E1706 K1743 Y1744 F1746M1699-T1701 HydrophobicContact CE-CG2 4.36Å; T1701-E1706 CarbonylContact C-O 3.55Å; T1701-E1706 VanDerWaalsContact CA-O 3.3Å; T1701-E1706 WeakPolarHBondContact CA-O 2.98Å; T1701-K1743 WeakPolarHBondContact O-CA 3.04Å; T1701-Y1744 PolarHBondContact N-O 3.25Å; T1701-Y1744 PolarHBondContact O-N 3.22Å; T1701-F1746 HydrophobicContact CG2-CE2 4.22Å
1702A93.8Very high94.1Very high4 Ų432.8 Ų32.83%0.03322%0.221CC..  trans-144.8-111.417500000113.1Y1591 Y1637 A1705 E1706 F1727 N1742 K1743Y1591-A1702 WeakPolarHBondContact OH-CB 3.14Å; Y1637-A1702 HydrophobicContact CD1-CB 4.4Å; Y1637-A1702 HydrophobicContact CE1-CB 3.52Å; A1702-A1705 PolarHBondContact O-N 3.18Å; A1702-E1706 PolarHBondContact N-O 3.04Å; A1702-F1727 HydrophobicContact CB-CE2 3.95Å; A1702-F1727 HydrophobicContact CB-CZ 4.24Å; A1702-N1742 PolarHBondContact O-ND2 3.25Å; A1702-K1743 HydrophobicContact CB-CG 3.91Å
1703A89.2Confident94.2Very high11 Ų1135.2 Ų35.29%0.09124%0.242CC..G310 helixtrans-64.6146-17900000111Y1637 A1705 E1706 N1742Y1637-A1703 VanDerWaalsContact OH-CB 3.28Å; Y1637-A1703 WeakPolarHBondContact OH-CB 3.47Å; Y1637-A1703 PolarHBondContact OH-N 3.17Å; A1703-A1705 PolarHBondContact O-N 3.16Å; A1703-E1706 WeakPolarHBondContact O-CB 3.45Å; A1703-E1706 PolarHBondContact O-N 2.88Å; A1703-N1742 PolarHBondContact N-ND2 3.24Å
1704G86Confident94.2Very high77 Ų7732.5 Ų32.579%0.79423%0.229SC*.G310 helixtrans62.30.1-176.500000116.3E1706G1704-E1706 PolarHBondContact O-N 3.08Å
1705A86.6Confident94.2Very high77 Ų7733 Ų3364%0.63623%0.233SC*.G310 helixtrans60.719.4-157.600000114.5A1702 A1703A1702-A1705 PolarHBondContact O-N 3.18Å; A1703-A1705 PolarHBondContact O-N 3.16Å
1706E91.8Very high94.2Very high45 Ų4531.6 Ų31.621%0.2123%0.227CC..  trans-78.3163.6168.9-67.7-83.512700110.9Y1591 K1597 S1598 T1701 A1702 A1703 G1704Y1591-E1706 PolarHBondContact OH-O 3Å; K1597-E1706 WeakPolarHBondContact CA-OE2 3.49Å; K1597-E1706 IonicContact NZ-OE1 3.82Å; K1597-E1706 PolarHBondContact NZ-OE1 3.27Å; K1597-E1706 IonicContact NZ-OE2 2.66Å; K1597-E1706 PolarHBondContact NZ-OE2 3.04Å; S1598-E1706 PolarHBondContact N-OE2 3.39Å; S1598-E1706 PolarHBondContact OG-OE2 3.12Å; T1701-E1706 CarbonylContact C-O 3.55Å; T1701-E1706 VanDerWaalsContact CA-O 3.3Å; T1701-E1706 WeakPolarHBondContact CA-O 2.98Å; A1702-E1706 PolarHBondContact N-O 3.04Å; A1703-E1706 WeakPolarHBondContact O-CB 3.45Å; A1703-E1706 PolarHBondContact O-N 2.88Å; G1704-E1706 PolarHBondContact O-N 3.08Å
1707G91.6Very high94.2Very high11 Ų1131.6 Ų31.611%0.11323%0.227CC..EExtended strand (participates in β ladder)trans146.3-147.1-169.300000110.7S1598 N1600S1598-G1707 PolarHBondContact OG-N 3.37Å; S1598-G1707 VanDerWaalsContact OG-N 3.08Å; S1598-G1707 PolarHBondContact OG-O 3.08Å; N1600-G1707 PolarHBondContact ND2-O 2.98Å; N1600-G1707 PolarHBondContact OD1-O 3.01Å
1708G94Very high94.3Very high16 Ų1631.7 Ų31.717%0.16523%0.228CC..EExtended strand (participates in β ladder)trans179-170.3177.200000115.6N1600 M1699 H1700N1600-G1708 VanDerWaalsContact OD1-CA 3.28Å; N1600-G1708 WeakPolarHBondContact OD1-CA 3.07Å; N1600-G1708 PolarHBondContact OD1-N 3.28Å; M1699-G1708 CarbonylContact C-O 3.53Å; M1699-G1708 WeakPolarHBondContact CA-O 3.23Å; M1699-G1708 WeakPolarHBondContact CB-O 3.22Å; H1700-G1708 PolarHBondContact CE1-O 3.11Å; H1700-G1708 VanDerWaalsContact CE1-O 3.27Å; H1700-G1708 PolarHBondContact N-O 3.36Å; H1700-G1708 PolarHBondContact ND1-O 2.84Å; H1700-G1708 VanDerWaalsContact ND1-O 3.12Å; H1700-G1708 PolarHBondContact NE2-N 2.59Å; H1700-G1708 PolarHBondContact O-N 3.2Å
1709G93.5Very high94.2Very high41 Ų4131 Ų3142%0.42322%0.222SC..EExtended strand (participates in β ladder)trans-114.7168.7-17500000113.6A1698A1698-G1709 CarbonylContact O-C 3.51Å; A1698-G1709 VanDerWaalsContact O-CA 3.23Å; A1698-G1709 WeakPolarHBondContact O-CA 3.22Å
1710Q94.4Very high94.1Very high12 Ų1230.2 Ų30.26%0.05622%0.217CC..  trans-111.5141.1167.7-58-62.8-77.300108.7Q1601 D1602 F1697 A1698 L1712Q1601-Q1710 PolarHBondContact O-NE2 3.41Å; D1602-Q1710 PolarHBondContact OD1-OE1 3.17Å; F1697-Q1710 HydrophobicContact CD1-CG 3.73Å; F1697-Q1710 HydrophobicContact CE1-CG 3.89Å; A1698-Q1710 PolarHBondContact O-N 2.75Å; Q1710-L1712 PolarHBondContact O-N 3.11Å
1711P97Very high93.9Very high60 Ų6034.4 Ų34.439%0.3924%0.236SC..  trans-65.2126.8171.3-14.829000109.6S1713 S1714 S1717P1711-S1713 PolarHBondContact O-N 3.15Å; P1711-S1713 VanDerWaalsContact O-N 3.09Å; P1711-S1714 WeakPolarHBondContact O-CA 3.29Å; P1711-S1714 VanDerWaalsContact O-CB 3.27Å; P1711-S1714 WeakPolarHBondContact O-CB 3.32Å; P1711-S1714 PolarHBondContact O-N 2.99Å; P1711-S1717 WeakPolarHBondContact O-CB 3.01Å; P1711-S1717 PolarHBondContact O-OG 3.27Å
1712L97.4Very high93.6Very high77 Ų7735.3 Ų35.340%0.40324%0.238SC..THydrogen-bonded Turntrans-69.2-4.8-178.5-62.8175.7000114.3H1675 A1698 Q1710 L1748H1675-L1712 PolarHBondContact CD2-O 3.15Å; H1675-L1712 PolarHBondContact NE2-O 3.39Å; H1675-L1712 VanDerWaalsContact NE2-O 3.07Å; A1698-L1712 HydrophobicContact CB-CD2 4.43Å; Q1710-L1712 PolarHBondContact O-N 3.11Å; L1712-L1748 HydrophobicContact CD1-CD1 4.06Å; L1712-L1748 HydrophobicContact CD1-CD2 4.39Å; L1712-L1748 HydrophobicContact CD2-CD1 3.96Å; L1712-L1748 HydrophobicContact CD2-CG 4.35Å
1713S96.6Very high93.3Very high79 Ų7938.3 Ų38.355%0.55225%0.249SC*.THydrogen-bonded Turntrans-92.6-13.6167.656.80000112.7I1672 A1673 P1711I1672-S1713 CarbonylContact C-O 3.52Å; I1672-S1713 VanDerWaalsContact CA-O 3.32Å; I1672-S1713 WeakPolarHBondContact CA-O 3.37Å; A1673-S1713 PolarHBondContact N-O 3.12Å; P1711-S1713 PolarHBondContact O-N 3.15Å; P1711-S1713 VanDerWaalsContact O-N 3.09Å
1714S96.6Very high93.2Very high13 Ų1341.5 Ų41.59%0.09127%0.27CS..SBendtrans-91.1141.5-173.8-175.70000111.5D1602 G1604 A1673 P1711 G1716 S1717D1602-S1714 PolarHBondContact OD1-OG 3.44Å; D1602-S1714 WeakPolarHBondContact OD2-CB 3.34Å; D1602-S1714 PolarHBondContact OD2-OG 3.38Å; G1604-S1714 WeakPolarHBondContact CA-OG 3.34Å; A1673-S1714 VanDerWaalsContact CB-O 3.31Å; A1673-S1714 WeakPolarHBondContact CB-O 3.43Å; P1711-S1714 WeakPolarHBondContact O-CA 3.29Å; P1711-S1714 VanDerWaalsContact O-CB 3.27Å; P1711-S1714 WeakPolarHBondContact O-CB 3.32Å; P1711-S1714 PolarHBondContact O-N 2.99Å; S1714-G1716 PolarHBondContact O-N 3.31Å; S1714-S1717 PolarHBondContact O-N 3.16Å; S1714-S1717 PolarHBondContact O-OG 2.89Å
1715P96.4Very high93.4Very high12 Ų1239 Ų398%0.07824%0.24CC..G310 helixtrans-49.7-27.8173.6-29.236.5000114.6V1671 W1692 S1717 C1718 V1779V1671-P1715 HydrophobicContact CB-CG 4.38Å; V1671-P1715 HydrophobicContact CG1-CG 3.82Å; W1692-P1715 HydrophobicContact CH2-CB 3.97Å; W1692-P1715 HydrophobicContact CZ2-CB 3.87Å; P1715-S1717 PolarHBondContact O-N 3.22Å; P1715-C1718 PolarHBondContact O-N 3.49Å; P1715-V1779 HydrophobicContact CB-CG1 3.96Å; P1715-V1779 HydrophobicContact CB-CG2 4.29Å; P1715-V1779 HydrophobicContact CG-CG1 4Å
1716G95.9Very high93.8Very high2 Ų235.4 Ų35.42%0.02121%0.21CC..G310 helixtrans-62.9-23.7178.700000115.5L1603 S1714 C1718L1603-G1716 VanDerWaalsContact C-CA 3.41Å; L1603-G1716 VanDerWaalsContact CB-CA 3.47Å; S1714-G1716 PolarHBondContact O-N 3.31Å; G1716-C1718 VanDerWaalsContact C-N 3.26Å; G1716-C1718 PolarHBondContact O-N 3.21Å
1717S97.7Very high94Very high0 Ų033.2 Ų33.20%020%0.2CC..G310 helixtrans-78.9-5.417465.90000113.8H1675 S1696 F1697 P1711 S1714 P1715H1675-S1717 PolarHBondContact CE1-OG 3.05Å; H1675-S1717 PolarHBondContact NE2-OG 2.79Å; S1696-S1717 CarbonylContact C-O 3.5Å; F1697-S1717 PolarHBondContact N-O 3.37Å; F1697-S1717 WeakPolarHBondContact O-CA 3.44Å; F1697-S1717 WeakPolarHBondContact O-CB 3.33Å; P1711-S1717 WeakPolarHBondContact O-CB 3.01Å; P1711-S1717 PolarHBondContact O-OG 3.27Å; S1714-S1717 PolarHBondContact O-N 3.16Å; S1714-S1717 PolarHBondContact O-OG 2.89Å; P1715-S1717 PolarHBondContact O-N 3.22Å
1718C97.4Very high94.1Very high3 Ų332.7 Ų32.72%0.0220%0.195CC..EExtended strand (participates in β ladder)trans-119.180.9-177.3-167.50000112.3A1673 W1692 P1715 G1716 C1777 V1779A1673-C1718 HydrophobicContact CB-CB 4.2Å; W1692-C1718 PolarHBondContact NE1-O 2.91Å; P1715-C1718 PolarHBondContact O-N 3.49Å; G1716-C1718 VanDerWaalsContact C-N 3.26Å; G1716-C1718 PolarHBondContact O-N 3.21Å; C1718-C1777 WeakPolarHBondContact CA-SG 3.25Å; C1718-C1777 HydrophobicContact CB-CB 3.89Å; C1718-C1777 WeakPolarHBondContact CB-SG 3.2Å; C1718-C1777 VanDerWaalsContact SG-C 3.54Å; C1718-C1777 WeakPolarHBondContact SG-CB 3.17Å; C1718-C1777 CovalentContact SG-SG 2.03Å; C1718-C1777 PolarHBondContact SG-SG 2.87Å; C1718-V1779 HydrophobicContact CB-CG2 3.51Å
1719L95.7Very high94.2Very high7 Ų732.2 Ų32.24%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-78.4128.6179-69.5-178.8000111.1L1603 L1639 G1694 Y1695 F1697 H1721 P1726 W1747L1603-L1719 HydrophobicContact CD1-CD2 4.2Å; L1639-L1719 HydrophobicContact CD1-CD1 4.21Å; L1639-L1719 HydrophobicContact CD1-CD2 4.39Å; L1639-L1719 HydrophobicContact CD2-CD2 4.01Å; G1694-L1719 CarbonylContact C-O 3.58Å; G1694-L1719 VanDerWaalsContact CA-O 3.3Å; G1694-L1719 WeakPolarHBondContact CA-O 3.38Å; Y1695-L1719 PolarHBondContact N-O 2.81Å; Y1695-L1719 PolarHBondContact O-N 3.31Å; F1697-L1719 HydrophobicContact CB-CD1 3.88Å; F1697-L1719 HydrophobicContact CB-CG 4.03Å; F1697-L1719 HydrophobicContact CD1-CD1 3.63Å; F1697-L1719 HydrophobicContact CD1-CG 4.14Å; F1697-L1719 HydrophobicContact CD2-CD1 4.41Å; F1697-L1719 HydrophobicContact CE1-CD1 4.24Å; F1697-L1719 HydrophobicContact CG-CD1 3.73Å; F1697-L1719 HydrophobicContact CG-CG 4.33Å; L1719-H1721 PolarHBondContact O-N 3.1Å; L1719-P1726 HydrophobicContact CD1-CB 4.33Å; L1719-W1747 HydrophobicContact CB-CH2 4.3Å; L1719-W1747 HydrophobicContact CB-CZ3 4.29Å; L1719-W1747 HydrophobicContact CD1-CH2 3.88Å; L1719-W1747 HydrophobicContact CD1-CZ3 4.42Å
1720Q92.8Very high94.4Very high65 Ų6530.2 Ų30.230%0.30417%0.168SC..SBendtrans-63.2-28.6-177.8-67.5176.421.200112.5W1692W1692-Q1720 HydrophobicContact CB-CG 4.19Å; W1692-Q1720 HydrophobicContact CG-CG 3.89Å; W1692-Q1720 VanDerWaalsContact CG-NE2 3.3Å
1721H91.1Very high94.2Very high88 Ų8831.1 Ų31.141%0.40717%0.173SC..SBendtrans-125.7118-177.5-59.9-24.1000111.6Q1569 L1719Q1569-H1721 PolarHBondContact NE2-O 3.33Å; Q1569-H1721 PolarHBondContact OE1-O 3.42Å; L1719-H1721 PolarHBondContact O-N 3.1Å
1722F90.8Very high93.4Very high42 Ų4228.5 Ų28.518%0.18416%0.157CC..  trans-66.9133.1172.2168.8-105000111.4Y1695 W1747 L1770 I1771 L1774Y1695-F1722 HydrophobicContact CD1-CB 4.23Å; Y1695-F1722 HydrophobicContact CD2-CB 3.74Å; Y1695-F1722 HydrophobicContact CE2-CB 4.07Å; Y1695-F1722 HydrophobicContact CG-CB 3.82Å; F1722-W1747 AromaticContact CD2-CD2 3.95Å; F1722-W1747 HydrophobicContact CD2-CD2 3.95Å; F1722-W1747 AromaticContact CD2-CE2 3.66Å; F1722-W1747 HydrophobicContact CD2-CE3 4.2Å; F1722-W1747 AromaticContact CD2-CH2 3.98Å; F1722-W1747 HydrophobicContact CD2-CH2 3.98Å; F1722-W1747 AromaticContact CD2-CZ2 3.69Å; F1722-W1747 HydrophobicContact CD2-CZ2 3.69Å; F1722-W1747 HydrophobicContact CD2-CZ3 4.22Å; F1722-W1747 HydrophobicContact CE2-CD2 4.14Å; F1722-W1747 AromaticContact CE2-CE2 3.69Å; F1722-W1747 HydrophobicContact CE2-CG 4.42Å; F1722-W1747 HydrophobicContact CE2-CZ2 4.05Å; F1722-W1747 AromaticContact CE2-NE1 3.67Å; F1722-L1770 HydrophobicContact CE1-CB 4.02Å; F1722-L1770 HydrophobicContact CE1-CD1 4.04Å; F1722-L1770 HydrophobicContact CZ-CB 4.36Å; F1722-L1770 HydrophobicContact CZ-CD1 4.3Å; F1722-I1771 HydrophobicContact CD1-CG1 4.24Å; F1722-L1774 HydrophobicContact CD1-CD1 3.92Å; F1722-L1774 HydrophobicContact CD2-CD1 3.45Å; F1722-L1774 VanDerWaalsContact CD2-CD1 3.45Å; F1722-L1774 HydrophobicContact CD2-CD2 3.91Å; F1722-L1774 HydrophobicContact CD2-CG 4.36Å; F1722-L1774 HydrophobicContact CE1-CD1 3.96Å; F1722-L1774 HydrophobicContact CE2-CD1 3.51Å; F1722-L1774 HydrophobicContact CE2-CD2 3.99Å; F1722-L1774 HydrophobicContact CE2-CG 4.39Å; F1722-L1774 HydrophobicContact CG-CD1 3.67Å; F1722-L1774 HydrophobicContact CZ-CD1 3.77Å
1723R86.3Confident92.6Very high66 Ų6627.3 Ų27.325%0.24916%0.158CC..  trans-139.1144.5164.6-68.9-161135.2-153.8-13.7110.1T1641 T1642 E1643 T1725 P1726 S1745 W1747T1641-R1723 PolarHBondContact O-NH1 3.5Å; T1642-R1723 VanDerWaalsContact C-CZ 3.49Å; T1642-R1723 VanDerWaalsContact C-NH2 3.29Å; T1642-R1723 VanDerWaalsContact CA-CZ 3.45Å; T1642-R1723 PolarHBondContact O-NH2 2.95Å; E1643-R1723 PolarHBondContact O-NH1 3.43Å; E1643-R1723 PolarHBondContact O-NH2 3.11Å; R1723-T1725 PolarHBondContact O-N 3.44Å; R1723-P1726 HydrophobicContact CB-CB 4.21Å; R1723-P1726 WeakPolarHBondContact O-CD 3.03Å; R1723-S1745 PolarHBondContact O-OG 3.12Å; R1723-W1747 VanDerWaalsContact O-CZ2 3.27Å; R1723-W1747 WeakPolarHBondContact O-CZ2 2.99Å
1724S86.7Confident92.1Very high78 Ų7832.2 Ų32.255%0.54516%0.164SC..SBendtrans-62.8-30.7172.249.50000112.8S1745S1724-S1745 PolarHBondContact O-OG 3.1Å
1725T91Very high91.9Very high26 Ų2632.8 Ų32.816%0.1617%0.172CC..SBendtrans-130.286.5172.749.90000108.5S1640 R1723 F1727 K1743S1640-T1725 PolarHBondContact OG-O 3.03Å; R1723-T1725 PolarHBondContact O-N 3.44Å; T1725-F1727 PolarHBondContact O-N 3.47Å; T1725-K1743 HydrophobicContact CG2-CB 4.14Å
1726P94.2Very high91.8Very high0 Ų033.5 Ų33.50%018%0.176CC..  trans-82.714.7-177.135.2-35.4000113L1639 S1640 F1697 L1719 R1723 S1745 W1747L1639-P1726 WeakPolarHBondContact CA-O 3.37Å; L1639-P1726 VanDerWaalsContact CD1-O 3.28Å; L1639-P1726 WeakPolarHBondContact CD1-O 3.28Å; L1639-P1726 WeakPolarHBondContact CG-O 3.45Å; S1640-P1726 PolarHBondContact N-O 3.25Å; S1640-P1726 WeakPolarHBondContact OG-CA 3.47Å; S1640-P1726 PolarHBondContact OG-O 3.05Å; F1697-P1726 HydrophobicContact CE2-CG 4.09Å; F1697-P1726 HydrophobicContact CZ-CG 4.39Å; L1719-P1726 HydrophobicContact CD1-CB 4.33Å; R1723-P1726 HydrophobicContact CB-CB 4.21Å; R1723-P1726 WeakPolarHBondContact O-CD 3.03Å; P1726-S1745 VanDerWaalsContact CD-CB 3.47Å; P1726-W1747 HydrophobicContact CB-CZ2 4.4Å; P1726-W1747 HydrophobicContact CG-CZ2 4.05Å
1727F95.8Very high91.8Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-152.3152.4-176.769.8-83.9000112.6L1590 Y1637 W1638 S1640 H1700 A1702 T1725 Y1739 K1743L1590-F1727 HydrophobicContact CD2-CB 3.62Å; L1590-F1727 HydrophobicContact CD2-CD1 4.15Å; L1590-F1727 HydrophobicContact CD2-CD2 4.17Å; L1590-F1727 HydrophobicContact CD2-CG 3.73Å; Y1637-F1727 AromaticContact CD1-CD2 3.94Å; Y1637-F1727 HydrophobicContact CD1-CD2 3.94Å; Y1637-F1727 AromaticContact CD1-CE2 3.9Å; Y1637-F1727 HydrophobicContact CD1-CE2 3.9Å; Y1637-F1727 HydrophobicContact CE1-CE2 4.34Å; W1638-F1727 CarbonylContact O-C 3.53Å; W1638-F1727 WeakPolarHBondContact O-CA 3.43Å; W1638-F1727 WeakPolarHBondContact O-CB 3.25Å; S1640-F1727 PolarHBondContact OG-N 2.92Å; H1700-F1727 HydrophobicContact CB-CD1 4.27Å; H1700-F1727 HydrophobicContact CB-CE1 3.7Å; H1700-F1727 HydrophobicContact CB-CZ 4.17Å; A1702-F1727 HydrophobicContact CB-CE2 3.95Å; A1702-F1727 HydrophobicContact CB-CZ 4.24Å; T1725-F1727 PolarHBondContact O-N 3.47Å; F1727-Y1739 WeakPolarHBondContact O-CE1 3.47Å; F1727-K1743 HydrophobicContact CD2-CD 4.25Å; F1727-K1743 HydrophobicContact CE1-CB 4.42Å; F1727-K1743 HydrophobicContact CE2-CB 4.28Å; F1727-K1743 HydrophobicContact CE2-CD 3.85Å; F1727-K1743 HydrophobicContact CE2-CG 3.76Å; F1727-K1743 HydrophobicContact CZ-CB 3.82Å; F1727-K1743 HydrophobicContact CZ-CD 4.21Å; F1727-K1743 HydrophobicContact CZ-CG 3.81Å
1728I95.7Very high91.7Very high0 Ų034.7 Ų34.70%018%0.181CC..EExtended strand (participates in β ladder)trans-113153.2176.9-163.9171.9000110.4Y1637 W1638 H1658 V1659 C1737 Y1739Y1637-I1728 WeakPolarHBondContact CA-O 3.43Å; W1638-I1728 HydrophobicContact CB-CG2 4.21Å; W1638-I1728 PolarHBondContact N-O 3.45Å; W1638-I1728 PolarHBondContact O-N 3.08Å; H1658-I1728 HydrophobicContact CB-CD1 3.84Å; V1659-I1728 HydrophobicContact CG2-CG2 4.34Å; I1728-C1737 HydrophobicContact CD1-CB 3.63Å; I1728-C1737 HydrophobicContact CG1-CB 3.99Å; I1728-Y1739 HydrophobicContact CB-CD1 4.49Å; I1728-Y1739 HydrophobicContact CB-CE1 3.94Å; I1728-Y1739 HydrophobicContact CB-CE2 4.42Å; I1728-Y1739 HydrophobicContact CD1-CD2 4.14Å; I1728-Y1739 HydrophobicContact CD1-CE2 3.6Å; I1728-Y1739 HydrophobicContact CG1-CD1 4.48Å; I1728-Y1739 HydrophobicContact CG1-CD2 4.21Å; I1728-Y1739 HydrophobicContact CG1-CE1 4.22Å; I1728-Y1739 HydrophobicContact CG1-CE2 3.96Å; I1728-Y1739 HydrophobicContact CG1-CG 4.48Å
1729E96Very high91.5Very high5 Ų535.2 Ų35.22%0.02318%0.183CC..EExtended strand (participates in β ladder)trans-109.8129.7177.5174.9176.9159.100109.6K1635 Y1637 C1737 H1738 F1740 K1743K1635-E1729 HydrophobicContact CD-CG 4.01Å; K1635-E1729 WeakPolarHBondContact CD-OE1 3.08Å; K1635-E1729 WeakPolarHBondContact CE-OE1 3.41Å; K1635-E1729 IonicContact NZ-OE1 2.62Å; K1635-E1729 PolarHBondContact NZ-OE1 3.14Å; Y1637-E1729 HydrophobicContact CD1-CB 3.63Å; Y1637-E1729 HydrophobicContact CD1-CG 3.98Å; Y1637-E1729 HydrophobicContact CE1-CB 3.39Å; Y1637-E1729 HydrophobicContact CE1-CG 3.34Å; Y1637-E1729 WeakPolarHBondContact CE1-OE2 3.34Å; Y1637-E1729 HydrophobicContact CE2-CG 4.39Å; E1729-C1737 CarbonylContact O-C 3.49Å; E1729-C1737 WeakPolarHBondContact O-CA 3.45Å; E1729-H1738 PolarHBondContact N-O 3.17Å; E1729-H1738 PolarHBondContact O-N 3.12Å; E1729-F1740 HydrophobicContact CG-CD2 4.45Å; E1729-F1740 HydrophobicContact CG-CE2 4.47Å; E1729-F1740 WeakPolarHBondContact OE2-CD2 3.16Å; E1729-K1743 VanDerWaalsContact CB-CE 3.43Å; E1729-K1743 IonicContact OE2-NZ 3.77Å; E1729-K1743 PolarHBondContact OE2-NZ 3.47Å
1730C95.8Very high91.4Very high0 Ų038.2 Ų38.20%020%0.196CC..EExtended strand (participates in β ladder)trans-114.4120.8179.7-64.60000110T1615 K1635 S1636 G1732 T1736 C1737T1615-C1730 HydrophobicContact CG2-CB 4.05Å; K1635-C1730 WeakPolarHBondContact CA-O 3.24Å; K1635-C1730 WeakPolarHBondContact CB-O 3.49Å; S1636-C1730 PolarHBondContact N-O 2.83Å; S1636-C1730 WeakPolarHBondContact O-CB 3.43Å; S1636-C1730 PolarHBondContact O-N 3.36Å; C1730-G1732 PolarHBondContact O-N 3.41Å; C1730-T1736 CarbonylContact C-O 3.58Å; C1730-T1736 WeakPolarHBondContact CA-O 3.25Å; C1730-C1737 HydrophobicContact CB-CB 4.09Å; C1730-C1737 WeakPolarHBondContact CB-SG 3.49Å; C1730-C1737 WeakPolarHBondContact SG-CB 3.05Å; C1730-C1737 CovalentContact SG-SG 2.04Å; C1730-C1737 PolarHBondContact SG-SG 2.93Å
1731N91.7Very high91.2Very high30 Ų3041.9 Ų41.916%0.1622%0.223CC..EExtended strand (participates in β ladder)trans-83.7110.7176.4-67-76.8000108.5K1635 A1733 R1734 G1735 T1736K1635-N1731 WeakPolarHBondContact CE-OD1 3.45Å; N1731-A1733 PolarHBondContact O-N 3.4Å; N1731-R1734 HydrophobicContact CB-CB 4.19Å; N1731-R1734 PolarHBondContact O-N 3.33Å; N1731-R1734 VanDerWaalsContact O-N 3.14Å; N1731-G1735 PolarHBondContact O-N 2.99Å; N1731-T1736 PolarHBondContact N-O 2.82Å
1732G80.6Confident91.1Very high6 Ų640.4 Ų40.46%0.06222%0.218CC..G310 helixtrans-58.7-54.7-168.700000113T1615 D1634 C1730 R1734 G1735T1615-G1732 WeakPolarHBondContact O-CA 3.29Å; T1615-G1732 PolarHBondContact OG1-O 3.48Å; D1634-G1732 PolarHBondContact O-N 3.32Å; D1634-G1732 VanDerWaalsContact O-N 3.14Å; C1730-G1732 PolarHBondContact O-N 3.41Å; G1732-R1734 PolarHBondContact O-N 2.89Å; G1732-G1735 PolarHBondContact O-N 3.17Å
1733A80.1Confident91.2Very high51 Ų5138.9 Ų38.942%0.42121%0.211SC..G310 helixtrans-55.7-19.7177.500000115.7A1630 N1731A1630-A1733 WeakPolarHBondContact O-CA 2.88Å; A1630-A1733 WeakPolarHBondContact O-CB 3.29Å; N1731-A1733 PolarHBondContact O-N 3.4Å
1734R85.5Confident91.6Very high183 Ų18342.4 Ų42.469%0.69123%0.226SC*.G310 helixtrans-112.62.1-171.9-63.6-171.4177.8-155.6-0.3114.2N1731 G1732 T1736N1731-R1734 HydrophobicContact CB-CB 4.19Å; N1731-R1734 PolarHBondContact O-N 3.33Å; N1731-R1734 VanDerWaalsContact O-N 3.14Å; G1732-R1734 PolarHBondContact O-N 2.89Å; R1734-T1736 WeakPolarHBondContact CB-OG1 3.31Å; R1734-T1736 WeakPolarHBondContact O-CG2 3.28Å; R1734-T1736 PolarHBondContact O-N 2.88Å; R1734-T1736 PolarHBondContact O-OG1 3.39Å
1735G92.1Very high91.9Very high25 Ų2539.8 Ų39.826%0.25821%0.207SC..THydrogen-bonded Turntrans54.426-179.400000114.7I1655 N1731 G1732I1655-G1735 WeakPolarHBondContact CD1-O 3.33Å; N1731-G1735 PolarHBondContact O-N 2.99Å; G1732-G1735 PolarHBondContact O-N 3.17Å
1736T95.2Very high92.2Very high26 Ų2642.7 Ų42.716%0.1622%0.218CC..EExtended strand (participates in β ladder)trans-134.4143.1-167.935.30000113P1649 V1650 A1651 C1730 N1731 R1734P1649-T1736 HydrophobicContact CB-CG2 4.35Å; V1650-T1736 CarbonylContact O-C 3.49Å; V1650-T1736 VanDerWaalsContact O-CA 3.23Å; V1650-T1736 WeakPolarHBondContact O-CA 3.42Å; A1651-T1736 HydrophobicContact CB-CG2 3.8Å; C1730-T1736 CarbonylContact C-O 3.58Å; C1730-T1736 WeakPolarHBondContact CA-O 3.25Å; N1731-T1736 PolarHBondContact N-O 2.82Å; R1734-T1736 WeakPolarHBondContact CB-OG1 3.31Å; R1734-T1736 WeakPolarHBondContact O-CG2 3.28Å; R1734-T1736 PolarHBondContact O-N 2.88Å; R1734-T1736 PolarHBondContact O-OG1 3.39Å
1737C96Very high92.2Very high0 Ų044.3 Ų44.30%022%0.224CC..EExtended strand (participates in β ladder)trans-123.9145.7179.7-51.90000112.7P1649 V1650 I1655 I1728 E1729 C1730P1649-C1737 WeakPolarHBondContact CA-O 3.42Å; V1650-C1737 HydrophobicContact CG2-CB 4.35Å; V1650-C1737 VanDerWaalsContact CG2-O 3.32Å; V1650-C1737 WeakPolarHBondContact CG2-O 3.1Å; V1650-C1737 PolarHBondContact N-O 3.19Å; V1650-C1737 PolarHBondContact O-N 3Å; I1655-C1737 HydrophobicContact CG1-CB 4.2Å; I1655-C1737 HydrophobicContact CG2-CB 4.27Å; I1655-C1737 WeakPolarHBondContact CG2-SG 3.09Å; I1728-C1737 HydrophobicContact CD1-CB 3.63Å; I1728-C1737 HydrophobicContact CG1-CB 3.99Å; E1729-C1737 CarbonylContact O-C 3.49Å; E1729-C1737 WeakPolarHBondContact O-CA 3.45Å; C1730-C1737 HydrophobicContact CB-CB 4.09Å; C1730-C1737 WeakPolarHBondContact CB-SG 3.49Å; C1730-C1737 WeakPolarHBondContact SG-CB 3.05Å; C1730-C1737 CovalentContact SG-SG 2.04Å; C1730-C1737 PolarHBondContact SG-SG 2.93Å
1738H95.4Very high92.3Very high27 Ų2746.2 Ų46.213%0.12523%0.234CC..EExtended strand (participates in β ladder)trans-159.3154.6-175.7-166.2-112.7000115.7M1648 P1649 E1729 F1740 K1743M1648-H1738 VanDerWaalsContact C-CD2 3.41Å; M1648-H1738 PolarHBondContact O-CD2 2.89Å; P1649-H1738 HydrophobicContact CB-CB 4.01Å; P1649-H1738 HydrophobicContact CG-CB 4.05Å; E1729-H1738 PolarHBondContact N-O 3.17Å; E1729-H1738 PolarHBondContact O-N 3.12Å; H1738-F1740 HydrophobicContact CB-CD2 4.42Å; H1738-F1740 HydrophobicContact CB-CE1 4.24Å; H1738-F1740 HydrophobicContact CB-CE2 3.88Å; H1738-F1740 HydrophobicContact CB-CZ 3.77Å; H1738-F1740 AromaticContact ND1-CD1 3.31Å; H1738-F1740 VanDerWaalsContact ND1-CD1 3.31Å; H1738-F1740 WeakPolarHBondContact ND1-CD1 3.32Å; H1738-F1740 AromaticContact ND1-CE1 3.23Å; H1738-F1740 WeakPolarHBondContact ND1-CE1 3.47Å; H1738-F1740 AromaticContact ND1-CG 3.84Å; H1738-F1740 AromaticContact ND1-CZ 3.71Å; H1738-F1740 PolarHBondContact O-N 2.9Å; H1738-K1743 WeakPolarHBondContact O-CE 3.29Å; H1738-K1743 PolarHBondContact O-NZ 3.04Å
1739Y93.4Very high92.2Very high14 Ų1450 Ų506%0.05526%0.257CS..  trans-94.689.9172.9-57.5-92.5000110.7S1640 I1645 P1646 F1727 I1728S1640-Y1739 VanDerWaalsContact CB-OH 3.26Å; S1640-Y1739 WeakPolarHBondContact CB-OH 3.33Å; I1645-Y1739 HydrophobicContact CB-CD2 4.39Å; I1645-Y1739 HydrophobicContact CG1-CD2 4.18Å; I1645-Y1739 HydrophobicContact CG1-CE2 4.48Å; I1645-Y1739 HydrophobicContact CG1-CG 4.21Å; I1645-Y1739 HydrophobicContact CG2-CD2 3.89Å; I1645-Y1739 HydrophobicContact CG2-CG 4.11Å; P1646-Y1739 HydrophobicContact CG-CD2 4.43Å; F1727-Y1739 WeakPolarHBondContact O-CE1 3.47Å; I1728-Y1739 HydrophobicContact CB-CD1 4.49Å; I1728-Y1739 HydrophobicContact CB-CE1 3.94Å; I1728-Y1739 HydrophobicContact CB-CE2 4.42Å; I1728-Y1739 HydrophobicContact CD1-CD2 4.14Å; I1728-Y1739 HydrophobicContact CD1-CE2 3.6Å; I1728-Y1739 HydrophobicContact CG1-CD1 4.48Å; I1728-Y1739 HydrophobicContact CG1-CD2 4.21Å; I1728-Y1739 HydrophobicContact CG1-CE1 4.22Å; I1728-Y1739 HydrophobicContact CG1-CE2 3.96Å; I1728-Y1739 HydrophobicContact CG1-CG 4.48Å
1740F92Very high92.1Very high70 Ų7050.7 Ų50.731%0.30726%0.262SS..  trans-78148.1172-58-70.3000112.3E1729 H1738 N1742 K1743E1729-F1740 HydrophobicContact CG-CD2 4.45Å; E1729-F1740 HydrophobicContact CG-CE2 4.47Å; E1729-F1740 WeakPolarHBondContact OE2-CD2 3.16Å; H1738-F1740 HydrophobicContact CB-CD2 4.42Å; H1738-F1740 HydrophobicContact CB-CE1 4.24Å; H1738-F1740 HydrophobicContact CB-CE2 3.88Å; H1738-F1740 HydrophobicContact CB-CZ 3.77Å; H1738-F1740 AromaticContact ND1-CD1 3.31Å; H1738-F1740 VanDerWaalsContact ND1-CD1 3.31Å; H1738-F1740 WeakPolarHBondContact ND1-CD1 3.32Å; H1738-F1740 AromaticContact ND1-CE1 3.23Å; H1738-F1740 WeakPolarHBondContact ND1-CE1 3.47Å; H1738-F1740 AromaticContact ND1-CG 3.84Å; H1738-F1740 AromaticContact ND1-CZ 3.71Å; H1738-F1740 PolarHBondContact O-N 2.9Å; F1740-N1742 WeakPolarHBondContact CB-OD1 3.38Å; F1740-N1742 PolarHBondContact O-N 3.45Å; F1740-N1742 VanDerWaalsContact O-N 3.1Å; F1740-K1743 WeakPolarHBondContact O-CB 3.15Å; F1740-K1743 WeakPolarHBondContact O-CG 3.25Å; F1740-K1743 PolarHBondContact O-N 3.45Å; F1740-K1743 VanDerWaalsContact O-N 3.12Å
1741T89.5Confident91.9Very high142 Ų14253.6 Ų53.687%0.87128%0.277SS*.THydrogen-bonded Turntrans-70.2-5.9-170.756.70000115.3
1742N89.8Confident91.8Very high58 Ų5856.3 Ų56.331%0.3129%0.291SS..THydrogen-bonded Turntrans-89.61.9173.660.9-54.6000113.2A1702 A1703 F1740 Y1744A1702-N1742 PolarHBondContact O-ND2 3.25Å; A1703-N1742 PolarHBondContact N-ND2 3.24Å; F1740-N1742 WeakPolarHBondContact CB-OD1 3.38Å; F1740-N1742 PolarHBondContact O-N 3.45Å; F1740-N1742 VanDerWaalsContact O-N 3.1Å; N1742-Y1744 WeakPolarHBondContact O-CD2 3.29Å; N1742-Y1744 PolarHBondContact O-N 2.77Å
1743K92Very high92.1Very high9 Ų963.9 Ų63.94%0.03933%0.325CS..  trans-74.1115.3172.5-72.2-179.6173.460.70110.6T1701 A1702 T1725 F1727 E1729 H1738 F1740T1701-K1743 WeakPolarHBondContact O-CA 3.04Å; A1702-K1743 HydrophobicContact CB-CG 3.91Å; T1725-K1743 HydrophobicContact CG2-CB 4.14Å; F1727-K1743 HydrophobicContact CD2-CD 4.25Å; F1727-K1743 HydrophobicContact CE1-CB 4.42Å; F1727-K1743 HydrophobicContact CE2-CB 4.28Å; F1727-K1743 HydrophobicContact CE2-CD 3.85Å; F1727-K1743 HydrophobicContact CE2-CG 3.76Å; F1727-K1743 HydrophobicContact CZ-CB 3.82Å; F1727-K1743 HydrophobicContact CZ-CD 4.21Å; F1727-K1743 HydrophobicContact CZ-CG 3.81Å; E1729-K1743 VanDerWaalsContact CB-CE 3.43Å; E1729-K1743 IonicContact OE2-NZ 3.77Å; E1729-K1743 PolarHBondContact OE2-NZ 3.47Å; H1738-K1743 WeakPolarHBondContact O-CE 3.29Å; H1738-K1743 PolarHBondContact O-NZ 3.04Å; F1740-K1743 WeakPolarHBondContact O-CB 3.15Å; F1740-K1743 WeakPolarHBondContact O-CG 3.25Å; F1740-K1743 PolarHBondContact O-N 3.45Å; F1740-K1743 VanDerWaalsContact O-N 3.12Å
1744Y94.6Very high92.5Very high141 Ų14170 Ų7055%0.55335%0.345SS*.EExtended strand (participates in β ladder)trans-113.7142.3171.5-65.9-79.3000110.7H1700 T1701 N1742H1700-Y1744 VanDerWaalsContact CA-O 3.27Å; H1700-Y1744 WeakPolarHBondContact CA-O 3.31Å; T1701-Y1744 PolarHBondContact N-O 3.25Å; T1701-Y1744 PolarHBondContact O-N 3.22Å; N1742-Y1744 WeakPolarHBondContact O-CD2 3.29Å; N1742-Y1744 PolarHBondContact O-N 2.77Å
1745S94.4Very high92.7Very high22 Ų2265.8 Ų65.815%0.15433%0.333CS..EExtended strand (participates in β ladder)trans-118.2139.216662.30000109.4R1723 S1724 P1726 W1747R1723-S1745 PolarHBondContact O-OG 3.12Å; S1724-S1745 PolarHBondContact O-OG 3.1Å; P1726-S1745 VanDerWaalsContact CD-CB 3.47Å; S1745-W1747 PolarHBondContact OG-NE1 3.27Å
1746F95.7Very high92.6Very high87 Ų8769.6 Ų69.638%0.38234%0.344SS..EExtended strand (participates in β ladder)trans-120.7133-175-57.7-101.6000108.1A1698 M1699 T1701A1698-F1746 PolarHBondContact N-O 3.28Å; M1699-F1746 HydrophobicContact CE-CD2 4.38Å; M1699-F1746 HydrophobicContact CE-CE2 4.45Å; M1699-F1746 HydrophobicContact CG-CB 3.49Å; M1699-F1746 VanDerWaalsContact CG-CB 3.49Å; M1699-F1746 HydrophobicContact CG-CD2 3.79Å; M1699-F1746 HydrophobicContact CG-CG 3.74Å; M1699-F1746 PolarHBondContact N-O 2.87Å; M1699-F1746 PolarHBondContact O-N 3.22Å; T1701-F1746 HydrophobicContact CG2-CE2 4.22Å
1747W95.9Very high92.5Very high34 Ų3477.7 Ų77.713%0.12938%0.377CS..EExtended strand (participates in β ladder)trans-134149.6-170.9-54.276.1000108.7S1696 F1697 L1719 F1722 R1723 P1726 S1745 L1774S1696-W1747 CarbonylContact O-C 3.56Å; S1696-W1747 WeakPolarHBondContact O-CA 3.3Å; S1696-W1747 WeakPolarHBondContact O-CB 3.48Å; F1697-W1747 HydrophobicContact CB-CD2 4.47Å; F1697-W1747 HydrophobicContact CB-CE3 3.88Å; F1697-W1747 HydrophobicContact CB-CH2 4.14Å; F1697-W1747 HydrophobicContact CB-CZ3 3.68Å; F1697-W1747 HydrophobicContact CD2-CD2 4.31Å; F1697-W1747 HydrophobicContact CD2-CH2 4.3Å; F1697-W1747 HydrophobicContact CD2-CZ2 4.09Å; F1697-W1747 HydrophobicContact CD2-CZ3 4.49Å; F1697-W1747 HydrophobicContact CG-CH2 4.46Å; F1697-W1747 HydrophobicContact CG-CZ3 4.45Å; L1719-W1747 HydrophobicContact CB-CH2 4.3Å; L1719-W1747 HydrophobicContact CB-CZ3 4.29Å; L1719-W1747 HydrophobicContact CD1-CH2 3.88Å; L1719-W1747 HydrophobicContact CD1-CZ3 4.42Å; F1722-W1747 AromaticContact CD2-CD2 3.95Å; F1722-W1747 HydrophobicContact CD2-CD2 3.95Å; F1722-W1747 AromaticContact CD2-CE2 3.66Å; F1722-W1747 HydrophobicContact CD2-CE3 4.2Å; F1722-W1747 AromaticContact CD2-CH2 3.98Å; F1722-W1747 HydrophobicContact CD2-CH2 3.98Å; F1722-W1747 AromaticContact CD2-CZ2 3.69Å; F1722-W1747 HydrophobicContact CD2-CZ2 3.69Å; F1722-W1747 HydrophobicContact CD2-CZ3 4.22Å; F1722-W1747 HydrophobicContact CE2-CD2 4.14Å; F1722-W1747 AromaticContact CE2-CE2 3.69Å; F1722-W1747 HydrophobicContact CE2-CG 4.42Å; F1722-W1747 HydrophobicContact CE2-CZ2 4.05Å; F1722-W1747 AromaticContact CE2-NE1 3.67Å; R1723-W1747 VanDerWaalsContact O-CZ2 3.27Å; R1723-W1747 WeakPolarHBondContact O-CZ2 2.99Å; P1726-W1747 HydrophobicContact CB-CZ2 4.4Å; P1726-W1747 HydrophobicContact CG-CZ2 4.05Å; S1745-W1747 PolarHBondContact OG-NE1 3.27Å; W1747-L1774 HydrophobicContact CB-CD2 3.28Å; W1747-L1774 HydrophobicContact CD2-CD2 3.8Å; W1747-L1774 HydrophobicContact CE3-CD2 4.02Å; W1747-L1774 HydrophobicContact CG-CD2 3.49Å; W1747-L1774 VanDerWaalsContact CG-CD2 3.49Å
1748L96Very high92.3Very high40 Ų4083 Ų8321%0.20940%0.404CS..PPolyproline II helixtrans-65.8139.7171.3-60.5179.6000109.5H1675 S1696 A1698 L1712 S1775H1675-L1748 HydrophobicContact CB-CD1 4.15Å; S1696-L1748 PolarHBondContact O-N 2.82Å; A1698-L1748 HydrophobicContact CB-CD2 4.44Å; L1712-L1748 HydrophobicContact CD1-CD1 4.06Å; L1712-L1748 HydrophobicContact CD1-CD2 4.39Å; L1712-L1748 HydrophobicContact CD2-CD1 3.96Å; L1712-L1748 HydrophobicContact CD2-CG 4.35Å; L1748-S1775 WeakPolarHBondContact O-CB 3.49Å; L1748-S1775 PolarHBondContact O-N 3.23Å
1749T94.2Very high92Very high80 Ų8089 Ų8949%0.49144%0.436SS..BIsolated β-bridgetrans-90.8161.3-179.252.80000112.1R1773T1749-R1773 CarbonylContact C-O 3.48Å; T1749-R1773 VanDerWaalsContact CA-O 3.27Å; T1749-R1773 WeakPolarHBondContact CA-O 3.29Å
1750T93.8Very high91.6Very high19 Ų1993.9 Ų93.912%0.11747%0.469CS..PPolyproline II helixtrans-70133.1162.158.80000110.6Q1677 R1772 R1773Q1677-T1750 CarbonylContact O-C 3.49Å; Q1677-T1750 VanDerWaalsContact O-CA 3.26Å; Q1677-T1750 WeakPolarHBondContact O-CA 3.48Å; T1750-R1772 WeakPolarHBondContact CG2-O 3.49Å; T1750-R1773 PolarHBondContact N-O 3.17Å; T1750-R1773 WeakPolarHBondContact OG1-CA 3.27Å
1751I92.4Very high91.4Very high62 Ų6299 Ų9932%0.31849%0.494SS..  trans-132.9119.1175.7-51.9-178.2000108.2Q1677 Q1756Q1677-I1751 PolarHBondContact O-N 3.28Å; I1751-Q1756 HydrophobicContact CG2-CB 4.47Å; I1751-Q1756 HydrophobicContact CG2-CG 3.87Å
1752D89.2Confident91.4Very high86 Ų8698.2 Ų98.246%0.4650%0.495SS..  trans-69.1139.8172.5-58.8-52.4000109.6Q1754 Q1755 Q1756D1752-Q1754 PolarHBondContact O-N 3.16Å; D1752-Q1754 VanDerWaalsContact O-N 3.12Å; D1752-Q1755 HydrophobicContact CB-CB 4.42Å; D1752-Q1755 HydrophobicContact CB-CG 4.26Å; D1752-Q1755 WeakPolarHBondContact O-CA 3.21Å; D1752-Q1755 PolarHBondContact O-N 3.32Å; D1752-Q1755 PolarHBondContact OD2-NE2 3.25Å; D1752-Q1756 PolarHBondContact O-N 3.35Å
1753E87.1Confident91.3Very high165 Ų16599.9 Ų99.977%0.77150%0.501SS*.G310 helixtrans-53.7-39-176.5-63.6-175.5142.100112.6Q1755 Q1756E1753-Q1755 PolarHBondContact O-N 3.11Å; E1753-Q1756 WeakPolarHBondContact O-CG 3.05Å; E1753-Q1756 PolarHBondContact O-N 3.4Å
1754Q88.7Confident91.1Very high180 Ų180105.9 Ų105.984%0.84154%0.538SS*.G310 helixtrans-67.3-14.2178.5-60.5172.66.200113.8D1752 I1758D1752-Q1754 PolarHBondContact O-N 3.16Å; D1752-Q1754 VanDerWaalsContact O-N 3.12Å; Q1754-I1758 VanDerWaalsContact O-CD1 3.32Å; Q1754-I1758 WeakPolarHBondContact O-CD1 3.11Å
1755Q89Confident90.7Very high94 Ų94102.3 Ų102.344%0.43953%0.528SS..G310 helixtrans-109.8-5.7-175.9-65.717333.600113.6D1752 E1753 F1757 I1758D1752-Q1755 HydrophobicContact CB-CB 4.42Å; D1752-Q1755 HydrophobicContact CB-CG 4.26Å; D1752-Q1755 WeakPolarHBondContact O-CA 3.21Å; D1752-Q1755 PolarHBondContact O-N 3.32Å; D1752-Q1755 PolarHBondContact OD2-NE2 3.25Å; E1753-Q1755 PolarHBondContact O-N 3.11Å; Q1755-F1757 PolarHBondContact O-N 2.83Å; Q1755-I1758 PolarHBondContact O-N 3.49Å
1756Q89.9Confident90.3Very high105 Ų105109.2 Ų109.249%0.49156%0.556SS.*THydrogen-bonded Turntrans-53-32.4-172.6-72177.61.700115I1751 D1752 E1753I1751-Q1756 HydrophobicContact CG2-CB 4.47Å; I1751-Q1756 HydrophobicContact CG2-CG 3.87Å; D1752-Q1756 PolarHBondContact O-N 3.35Å; E1753-Q1756 WeakPolarHBondContact O-CG 3.05Å; E1753-Q1756 PolarHBondContact O-N 3.4Å
1757F93.5Very high89.5Confident197 Ų197109.6 Ų109.686%0.86458%0.575SS**THydrogen-bonded Turntrans-114.313.5-178.6-55.7-76.5000113.2Q1755Q1755-F1757 PolarHBondContact O-N 2.83Å
1758I91.2Very high88.6Confident111 Ų111111.4 Ų111.457%0.56960%0.604SS**SBendtrans-94.6152174.2-56.2-175.9000108.6Q1754 Q1755 P1760Q1754-I1758 VanDerWaalsContact O-CD1 3.32Å; Q1754-I1758 WeakPolarHBondContact O-CD1 3.11Å; Q1755-I1758 PolarHBondContact O-N 3.49Å; I1758-P1760 WeakPolarHBondContact O-CD 3.36Å
1759I89.3Confident87.8Confident154 Ų154114.6 Ų114.679%0.7962%0.621SS**PPolyproline II helixtrans-59.1119.5173.2-59.5175.1000108.7Q1761I1759-Q1761 PolarHBondContact O-N 2.9Å
1760P86.5Confident87.2Confident116 Ų116113.1 Ų113.175%0.75361%0.61SS**PPolyproline II helixtrans-67.9134-177.227-34.3000110.7I1758I1758-P1760 WeakPolarHBondContact O-CD 3.36Å
1761Q86.4Confident86.7Confident176 Ų176116.2 Ų116.282%0.82263%0.625SS**PPolyproline II helixtrans-71.7134.7175.9-63.3-163.33.500110.7I1759 E1763I1759-Q1761 PolarHBondContact O-N 2.9Å; Q1761-E1763 PolarHBondContact O-N 2.97Å
1762S89.5Confident86.5Confident127 Ų127122.6 Ų122.689%0.88865%0.645SS**PPolyproline II helixtrans-81.1117.3-179-167.70000110.7
1763E87.7Confident86.6Confident93 Ų93122.5 Ų122.544%0.43564%0.638SS.*  trans-119.4139.1-179.4-67.6-175.816700111.7Q1761 L1765 R1773Q1761-E1763 PolarHBondContact O-N 2.97Å; E1763-L1765 HydrophobicContact CB-CD2 4.33Å; E1763-L1765 HydrophobicContact CB-CG 4.49Å; E1763-R1773 VanDerWaalsContact CD-NH2 3.28Å; E1763-R1773 IonicContact OE1-CZ 2.79Å; E1763-R1773 IonicContact OE1-NE 2.72Å; E1763-R1773 IonicContact OE1-NH2 2.6Å; E1763-R1773 PolarHBondContact OE1-NH2 3.05Å; E1763-R1773 IonicContact OE2-CZ 3.21Å; E1763-R1773 IonicContact OE2-NE 2.65Å; E1763-R1773 PolarHBondContact OE2-NE 3.27Å; E1763-R1773 IonicContact OE2-NH2 3.44Å; E1763-R1773 PolarHBondContact OE2-NH2 3.28Å
1764T89Confident86.8Confident135 Ų135115.2 Ų115.283%0.82861%0.605SS**  trans-104.996.1169.6-61.60000109.8
1765L86.2Confident87.2Confident66 Ų66106.6 Ų106.635%0.34656%0.564SS.*  trans-79.5134.8-175.5-59.2171000111.8E1763 L1770 R1773E1763-L1765 HydrophobicContact CB-CD2 4.33Å; E1763-L1765 HydrophobicContact CB-CG 4.49Å; L1765-L1770 HydrophobicContact CB-CD2 3.66Å; L1765-L1770 HydrophobicContact CB-CG 4.31Å; L1765-L1770 HydrophobicContact CD1-CD2 4.48Å; L1765-R1773 HydrophobicContact CD1-CB 3.52Å; L1765-R1773 HydrophobicContact CD1-CG 3.79Å; L1765-R1773 HydrophobicContact CD2-CG 4.09Å
1766K86.2Confident87.6Confident167 Ų167104.5 Ų104.573%0.72655%0.552SS**  trans-107.7165.5174.1-66-179.4-178.4174.80110.8N1769 L1770K1766-N1769 PolarHBondContact O-N 3.16Å; K1766-L1770 PolarHBondContact O-N 2.91Å
1767A78.6Confident88Confident95 Ų9599.5 Ų99.579%0.78553%0.529SS*.THydrogen-bonded Turntrans-49144.9175.800000112N1769A1767-N1769 PolarHBondContact O-N 3.31Å
1768G77.1Confident88.2Confident72 Ų7292.1 Ų92.174%0.74250%0.497SS*.THydrogen-bonded Turntrans92.4-54.3-167.900000112.9
1769N78.1Confident88.5Confident107 Ų10786.8 Ų86.857%0.57247%0.47SS*.THydrogen-bonded Turntrans-91.1-16.7-174.1-75.2-7.6000115.1K1766 A1767 I1771 R1772K1766-N1769 PolarHBondContact O-N 3.16Å; A1767-N1769 PolarHBondContact O-N 3.31Å; N1769-I1771 VanDerWaalsContact C-N 3.32Å; N1769-I1771 PolarHBondContact O-N 2.93Å; N1769-R1772 PolarHBondContact O-N 3.08Å
1770L80.9Confident88.8Confident48 Ų4879.5 Ų79.525%0.25143%0.432SS..G310 helixtrans-45.6-51.5179.4-74161.3000113.3F1722 L1765 K1766 R1772 R1773F1722-L1770 HydrophobicContact CE1-CB 4.02Å; F1722-L1770 HydrophobicContact CE1-CD1 4.04Å; F1722-L1770 HydrophobicContact CZ-CB 4.36Å; F1722-L1770 HydrophobicContact CZ-CD1 4.3Å; L1765-L1770 HydrophobicContact CB-CD2 3.66Å; L1765-L1770 HydrophobicContact CB-CG 4.31Å; L1765-L1770 HydrophobicContact CD1-CD2 4.48Å; K1766-L1770 PolarHBondContact O-N 2.91Å; L1770-R1772 PolarHBondContact O-N 3.3Å; L1770-R1772 VanDerWaalsContact O-N 3.13Å; L1770-R1773 PolarHBondContact O-N 3.12Å
1771I84.9Confident89.2Confident85 Ų8574.7 Ų74.744%0.43640%0.401SS..G310 helixtrans-57.6-31.6-172.2-66.3176.5000112.7Y1695 F1722 N1769 R1773 L1774Y1695-I1771 HydrophobicContact CE1-CG2 3.98Å; F1722-I1771 HydrophobicContact CD1-CG1 4.24Å; N1769-I1771 VanDerWaalsContact C-N 3.32Å; N1769-I1771 PolarHBondContact O-N 2.93Å; I1771-R1773 VanDerWaalsContact C-N 3.29Å; I1771-R1773 PolarHBondContact O-N 3.12Å; I1771-L1774 PolarHBondContact O-N 3.13Å
1772R87.5Confident89.5Confident196 Ų19673.3 Ų73.374%0.7439%0.388SS*.G310 helixtrans-70.4-22.3-179.2-68.7-173.5175.1-160.7-1.4114.1T1750 N1769 L1770T1750-R1772 WeakPolarHBondContact CG2-O 3.49Å; N1769-R1772 PolarHBondContact O-N 3.08Å; L1770-R1772 PolarHBondContact O-N 3.3Å; L1770-R1772 VanDerWaalsContact O-N 3.13Å
1773R90.6Very high89.4Confident83 Ų8370.4 Ų70.431%0.31337%0.368SS..G310 helixtrans-101.23.3179.9-76.9-70.8-159.2-162.42.4113.4T1749 T1750 E1763 L1765 L1770 I1771T1749-R1773 CarbonylContact C-O 3.48Å; T1749-R1773 VanDerWaalsContact CA-O 3.27Å; T1749-R1773 WeakPolarHBondContact CA-O 3.29Å; T1750-R1773 PolarHBondContact N-O 3.17Å; T1750-R1773 WeakPolarHBondContact OG1-CA 3.27Å; E1763-R1773 VanDerWaalsContact CD-NH2 3.28Å; E1763-R1773 IonicContact OE1-CZ 2.79Å; E1763-R1773 IonicContact OE1-NE 2.72Å; E1763-R1773 IonicContact OE1-NH2 2.6Å; E1763-R1773 PolarHBondContact OE1-NH2 3.05Å; E1763-R1773 IonicContact OE2-CZ 3.21Å; E1763-R1773 IonicContact OE2-NE 2.65Å; E1763-R1773 PolarHBondContact OE2-NE 3.27Å; E1763-R1773 IonicContact OE2-NH2 3.44Å; E1763-R1773 PolarHBondContact OE2-NH2 3.28Å; L1765-R1773 HydrophobicContact CD1-CB 3.52Å; L1765-R1773 HydrophobicContact CD1-CG 3.79Å; L1765-R1773 HydrophobicContact CD2-CG 4.09Å; L1770-R1773 PolarHBondContact O-N 3.12Å; I1771-R1773 VanDerWaalsContact C-N 3.29Å; I1771-R1773 PolarHBondContact O-N 3.12Å
1774L92.6Very high89.1Confident12 Ų1274.1 Ų74.16%0.06340%0.396CS..BIsolated β-bridgetrans-93.1130.6177.4-83.1146.5000111.8Y1695 F1722 W1747 I1771 R1776Y1695-L1774 HydrophobicContact CD1-CB 4.04Å; F1722-L1774 HydrophobicContact CD1-CD1 3.92Å; F1722-L1774 HydrophobicContact CD2-CD1 3.45Å; F1722-L1774 VanDerWaalsContact CD2-CD1 3.45Å; F1722-L1774 HydrophobicContact CD2-CD2 3.91Å; F1722-L1774 HydrophobicContact CD2-CG 4.36Å; F1722-L1774 HydrophobicContact CE1-CD1 3.96Å; F1722-L1774 HydrophobicContact CE2-CD1 3.51Å; F1722-L1774 HydrophobicContact CE2-CD2 3.99Å; F1722-L1774 HydrophobicContact CE2-CG 4.39Å; F1722-L1774 HydrophobicContact CG-CD1 3.67Å; F1722-L1774 HydrophobicContact CZ-CD1 3.77Å; W1747-L1774 HydrophobicContact CB-CD2 3.28Å; W1747-L1774 HydrophobicContact CD2-CD2 3.8Å; W1747-L1774 HydrophobicContact CE3-CD2 4.02Å; W1747-L1774 HydrophobicContact CG-CD2 3.49Å; W1747-L1774 VanDerWaalsContact CG-CD2 3.49Å; I1771-L1774 PolarHBondContact O-N 3.13Å; L1774-R1776 PolarHBondContact O-N 3.13Å
1775S96.4Very high89.1Confident0 Ų071.1 Ų71.10%037%0.374CS..PPolyproline II helixtrans-64.4129.2171.2174.10000110.7Q1677 S1678 S1696 L1748Q1677-S1775 VanDerWaalsContact CA-OG 3.26Å; Q1677-S1775 WeakPolarHBondContact CA-OG 3.38Å; Q1677-S1775 PolarHBondContact N-OG 3Å; S1678-S1775 WeakPolarHBondContact O-CA 3Å; S1696-S1775 VanDerWaalsContact CB-O 3.31Å; S1696-S1775 WeakPolarHBondContact CB-O 3.17Å; S1696-S1775 PolarHBondContact N-O 3.21Å; S1696-S1775 VanDerWaalsContact OG-C 3.3Å; S1696-S1775 WeakPolarHBondContact OG-CB 3.37Å; S1696-S1775 PolarHBondContact OG-O 3.47Å; S1696-S1775 PolarHBondContact OG-OG 3.24Å; L1748-S1775 WeakPolarHBondContact O-CB 3.49Å; L1748-S1775 PolarHBondContact O-N 3.23Å
1776R97.2Very high89.3Confident49 Ų4971.3 Ų71.319%0.18538%0.376CS..EExtended strand (participates in β ladder)trans-80.4163.5169.8-58.9-61-68.5-82.64111.7S1676 S1678 S1679 I1680 V1681 D1693 G1694 S1696 L1774S1676-R1776 PolarHBondContact N-O 3.43Å; S1676-R1776 PolarHBondContact OG-O 2.67Å; S1678-R1776 PolarHBondContact O-N 3.43Å; S1679-R1776 WeakPolarHBondContact O-CG 3.47Å; I1680-R1776 WeakPolarHBondContact O-CB 3.35Å; V1681-R1776 HydrophobicContact CG2-CB 4.17Å; V1681-R1776 HydrophobicContact CG2-CG 4.36Å; D1693-R1776 IonicContact OD2-CZ 2.8Å; D1693-R1776 IonicContact OD2-NH2 3.44Å; D1693-R1776 PolarHBondContact OD2-NH2 3.01Å; G1694-R1776 WeakPolarHBondContact O-CA 3.15Å; G1694-R1776 WeakPolarHBondContact O-CD 3.44Å; G1694-R1776 PolarHBondContact O-NE 3.33Å; S1696-R1776 PolarHBondContact OG-O 2.88Å; L1774-R1776 PolarHBondContact O-N 3.13Å
1777C97.9Very high89.4Confident0 Ų066 Ų660%036%0.356CS..EExtended strand (participates in β ladder)trans-146.3160.1176.557.50000110.8V1674 H1675 D1693 G1694 Y1695 C1718V1674-C1777 CarbonylContact O-C 3.55Å; V1674-C1777 WeakPolarHBondContact O-CA 3.41Å; V1674-C1777 WeakPolarHBondContact O-CB 3.49Å; H1675-C1777 WeakPolarHBondContact ND1-CB 3.33Å; D1693-C1777 WeakPolarHBondContact CA-O 3.44Å; G1694-C1777 PolarHBondContact N-O 3.48Å; G1694-C1777 PolarHBondContact O-N 3.12Å; G1694-C1777 VanDerWaalsContact O-N 3.17Å; Y1695-C1777 PolarHBondContact N-SG 3.4Å; Y1695-C1777 VanDerWaalsContact N-SG 3.37Å; C1718-C1777 WeakPolarHBondContact CA-SG 3.25Å; C1718-C1777 HydrophobicContact CB-CB 3.89Å; C1718-C1777 WeakPolarHBondContact CB-SG 3.2Å; C1718-C1777 VanDerWaalsContact SG-C 3.54Å; C1718-C1777 WeakPolarHBondContact SG-CB 3.17Å; C1718-C1777 CovalentContact SG-SG 2.03Å; C1718-C1777 PolarHBondContact SG-SG 2.87Å
1778Q98Very high90.1Very high42 Ų4264.3 Ų64.320%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-129.8140.2168.6-167.1169.44900108.8V1674 V1681 P1682 C1684 W1692V1674-Q1778 HydrophobicContact CG2-CB 4.17Å; V1674-Q1778 WeakPolarHBondContact CG2-O 3.03Å; V1674-Q1778 PolarHBondContact N-O 3.08Å; V1674-Q1778 PolarHBondContact O-N 2.83Å; V1681-Q1778 HydrophobicContact CG1-CB 4.03Å; P1682-Q1778 HydrophobicContact CG-CB 4.37Å; P1682-Q1778 WeakPolarHBondContact O-CB 3.39Å; P1682-Q1778 PolarHBondContact O-OE1 3.33Å; C1684-Q1778 VanDerWaalsContact N-OE1 3.15Å; C1684-Q1778 VanDerWaalsContact SG-CD 3.59Å; C1684-Q1778 PolarHBondContact SG-OE1 3.5Å; W1692-Q1778 WeakPolarHBondContact O-CG 3.05Å
1779V97.3Very high90.9Very high0 Ų063.8 Ų63.80%031%0.306CS..EExtended strand (participates in β ladder)trans-98.3127.7171.1178.60000108.5V1671 I1672 A1673 L1691 W1692 P1715 C1718V1671-V1779 HydrophobicContact CG1-CG1 3.36Å; I1672-V1779 CarbonylContact O-C 3.57Å; I1672-V1779 WeakPolarHBondContact O-CA 3.47Å; A1673-V1779 HydrophobicContact CB-CG2 4.39Å; L1691-V1779 HydrophobicContact CD1-CG1 4.38Å; L1691-V1779 PolarHBondContact N-O 3.33Å; W1692-V1779 HydrophobicContact CD2-CB 3.88Å; W1692-V1779 HydrophobicContact CD2-CG1 4.33Å; W1692-V1779 HydrophobicContact CD2-CG2 4.11Å; W1692-V1779 VanDerWaalsContact CE2-CG2 3.47Å; W1692-V1779 HydrophobicContact CE3-CB 4.23Å; W1692-V1779 HydrophobicContact CE3-CG1 4.26Å; W1692-V1779 HydrophobicContact CG-CB 4.35Å; W1692-V1779 HydrophobicContact CG-CG2 4.49Å; W1692-V1779 HydrophobicContact CH2-CB 4.34Å; W1692-V1779 HydrophobicContact CH2-CG1 3.83Å; W1692-V1779 HydrophobicContact CH2-CG2 4.45Å; W1692-V1779 HydrophobicContact CZ2-CB 4.01Å; W1692-V1779 HydrophobicContact CZ2-CG1 3.91Å; W1692-V1779 HydrophobicContact CZ2-CG2 3.7Å; W1692-V1779 HydrophobicContact CZ3-CB 4.43Å; W1692-V1779 HydrophobicContact CZ3-CG1 3.99Å; W1692-V1779 PolarHBondContact O-N 3.37Å; P1715-V1779 HydrophobicContact CB-CG1 3.96Å; P1715-V1779 HydrophobicContact CB-CG2 4.29Å; P1715-V1779 HydrophobicContact CG-CG1 4Å; C1718-V1779 HydrophobicContact CB-CG2 3.51Å
1780C96.1Very high91.7Very high0 Ų060.9 Ų60.90%029%0.288CS..EExtended strand (participates in β ladder)trans-125.3131.5-168.1-57.60000110.4V1671 I1672 C1684 W1688 S1689V1671-C1780 VanDerWaalsContact CA-O 3.27Å; V1671-C1780 WeakPolarHBondContact CA-O 3.36Å; V1671-C1780 WeakPolarHBondContact CG1-O 3.45Å; I1672-C1780 HydrophobicContact CG1-CB 4.29Å; I1672-C1780 PolarHBondContact N-O 3.19Å; I1672-C1780 PolarHBondContact O-N 3.05Å; C1684-C1780 WeakPolarHBondContact CA-SG 3.37Å; C1684-C1780 HydrophobicContact CB-CB 3.86Å; C1684-C1780 WeakPolarHBondContact CB-SG 3.37Å; C1684-C1780 WeakPolarHBondContact SG-CB 3.28Å; C1684-C1780 CovalentContact SG-SG 2.03Å; C1684-C1780 PolarHBondContact SG-SG 3.17Å; W1688-C1780 HydrophobicContact CB-CB 4.11Å; W1688-C1780 HydrophobicContact CE3-CB 4.11Å; S1689-C1780 CarbonylContact O-C 3.56Å; S1689-C1780 WeakPolarHBondContact O-CA 3.32Å
1781I94.6Very high92.5Very high16 Ų1661.9 Ų61.98%0.08229%0.29CS..EExtended strand (participates in β ladder)trans-97.5139.2167.7-173164.8000110.1I1564 A1667 A1669 V1671 W1688 S1689 L1691 S1783I1564-I1781 HydrophobicContact CD1-CD1 4.33Å; A1667-I1781 HydrophobicContact CB-CD1 4.08Å; A1669-I1781 HydrophobicContact CB-CD1 4.33Å; A1669-I1781 HydrophobicContact CB-CG1 3.92Å; V1671-I1781 HydrophobicContact CG2-CB 3.89Å; V1671-I1781 HydrophobicContact CG2-CD1 4.11Å; V1671-I1781 HydrophobicContact CG2-CG1 3.83Å; W1688-I1781 CarbonylContact C-O 3.51Å; W1688-I1781 VanDerWaalsContact CA-O 3.24Å; W1688-I1781 WeakPolarHBondContact CA-O 3.41Å; W1688-I1781 WeakPolarHBondContact CB-O 3.34Å; W1688-I1781 VanDerWaalsContact CE3-C 3.41Å; S1689-I1781 PolarHBondContact N-O 3.39Å; S1689-I1781 PolarHBondContact O-N 2.91Å; S1689-I1781 WeakPolarHBondContact OG-CG2 3.32Å; L1691-I1781 HydrophobicContact CD1-CB 4.07Å; L1691-I1781 HydrophobicContact CD1-CG2 4.46Å; L1691-I1781 HydrophobicContact CD2-CB 4.16Å; L1691-I1781 HydrophobicContact CD2-CG2 3.65Å; L1691-I1781 HydrophobicContact CG-CB 4.07Å; L1691-I1781 HydrophobicContact CG-CG2 3.97Å; I1781-S1783 PolarHBondContact O-N 3.3Å
1782R93.3Very high93.1Very high146 Ų14660.1 Ų60.155%0.55128%0.279SS*.EExtended strand (participates in β ladder)trans-67.8130.7174.3-172.4178.7179.9123.5-1.1109.6A1669 N1670 W1688A1669-R1782 HydrophobicContact CB-CB 4.05Å; A1669-R1782 WeakPolarHBondContact CB-O 3.47Å; N1670-R1782 PolarHBondContact O-N 3.22Å; W1688-R1782 HydrophobicContact CD2-CB 3.83Å; W1688-R1782 HydrophobicContact CD2-CG 4.31Å; W1688-R1782 HydrophobicContact CE3-CB 3.8Å; W1688-R1782 HydrophobicContact CG-CB 4.5Å; W1688-R1782 HydrophobicContact CH2-CB 3.98Å; W1688-R1782 HydrophobicContact CZ2-CB 4.03Å; W1688-R1782 HydrophobicContact CZ2-CG 4.29Å; W1688-R1782 HydrophobicContact CZ3-CB 3.86Å
1783S88.2Confident93.6Very high67 Ų6748.8 Ų48.847%0.46924%0.241SC..PPolyproline II helixtrans-71.7142174.4-56.30000110.3G1687 I1781G1687-S1783 PolarHBondContact O-N 3.37Å; I1781-S1783 PolarHBondContact O-N 3.3Å
1784V80.5Confident93.8Very high170 Ų17045.6 Ų45.6100%1.0323%0.234SC*.  trans-133.50-177.8-167.30000108.6A1669A1669-V1784 HydrophobicContact CB-CG2 3.56Å

Retrieved 1,784 of 1,784 residues in 228.6 ms (Link to these results)