A0A096N5N3_PAPAN Loading...

Protein sprouty homolog 2

AlphaFold DB (O43597), UniProt , Accession A0A096N5N3, Species PAPAN (Papio anubis, Olive baboon), Gene SPRY2, Length 315 aa.

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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
1M56.6Low47.5Very low249 Ų249144.8 Ų144.8100%1.22786%0.855SS**  0106.90-100.5170179.300107.3
2E45.4Very low47Very low193 Ų193147.5 Ų147.590%0.90285%0.853SS**  trans-79.5174.4-177.4-69.5154.2100.400112.5
3A46.2Very low47.2Very low98 Ų98144.2 Ų144.281%0.8184%0.839SS**  trans80.4138.516000000116.1
4R47.4Very low46.9Very low224 Ų224144.2 Ų144.285%0.84583%0.834SS**  cis-175.5143.33.2167177.7-174.399.9-2.6107.4
5A42.6Very low46.8Very low84 Ų84143.5 Ų143.569%0.69483%0.825SS**  trans-74.2157.9175.800000113.1
6Q60.1Low46.5Very low182 Ų182145.4 Ų145.485%0.8582%0.824SS**  trans-154125.1150.7-113.6164.523.800112.3
7S43Very low46Very low128 Ų128144.6 Ų144.690%0.89582%0.823SS**  trans-93.8167.9179.1-57.20000112.6
8G45.1Very low45.9Very low72 Ų72142.6 Ų142.674%0.74282%0.816SS**  trans157.6106.7159.300000110
9N41.4Very low45.8Very low179 Ų179147.3 Ų147.396%0.95782%0.82SS**  cis98.1131.741.6-159.152.8000113.2
10G44.7Very low45.6Very low60 Ų60147.4 Ų147.462%0.61982%0.818SS**  trans124.6135165.500000114.2
11S49.7Very low45.4Very low124 Ų124144 Ų14487%0.86782%0.816SS**  cis-165.6145.80.4-43.20000108.5
12Q41.8Very low44.6Very low177 Ų177136 Ų13683%0.82780%0.798SS**  trans-73.9177168.4-71.8-90.1-0.900111.1
13P49.3Very low44.3Very low104 Ų104137.6 Ų137.668%0.67580%0.795SS**  -161.8167.281.142.3-20.2000120.1
14L43.5Very low44.2Very low145 Ų145140.9 Ų140.976%0.75979%0.794SS**  trans73.6120.1139.1-82.7159000118.6
15L45.4Very low44Very low134 Ų134141.1 Ų141.170%0.70280%0.795SS**  -166.3140.465.7-83.4161.5000114
16Q41.8Very low44Very low174 Ų174140.3 Ų140.381%0.81380%0.795SS**  trans76.696.5140.3-67.4172.114.100123
17T37.5Very low43.2Very low132 Ų132139 Ų13981%0.8179%0.789SS**  trans-65.4-170.1148.2-140000111.8
18P45.5Very low43.6Very low108 Ų108137.4 Ų137.470%0.70178%0.775SS**  cis-149.3-176.2-3.729.4-2.6000119.3
19R42.5Very low43.6Very low232 Ų232138.1 Ų138.188%0.87576%0.762SS**  trans100.3134.6160.6-68.5-170.8159.9140.7-3.6114.8
20D42.3Very low44.1Very low149 Ų149134.6 Ų134.680%0.79775%0.749SS**  cis-159.713119.1-129.2-39.4000105.3
21G41.5Very low44.5Very low75 Ų75141.8 Ų141.877%0.77376%0.757SS**  121126.984.300000111.5
22G39.7Very low44.4Very low81 Ų81141.2 Ų141.284%0.83574%0.744SS**  trans96.175.9159.500000118.4
23R40.3Very low44.5Very low227 Ų227136.5 Ų136.586%0.85774%0.736SS**  72.7110.694.6-128.4-157.6174.6175.5-0.9117.5
24Q43.8Very low44.3Very low168 Ų168139.5 Ų139.579%0.78575%0.745SS**  trans84.985.4149.8-48.8-133.394.500119.1
25R43.2Very low44.4Very low229 Ų229137.9 Ų137.986%0.86474%0.742SS**  trans-88.9112.2159.9-164.1-178.7-150.8-94.52.5107.9
26G43Very low44.1Very low67 Ų67139.3 Ų139.369%0.69175%0.745SS**PPolyproline II helixtrans-76.2135.3158.600000108.6P28G26-P28 WeakPolarHBondContact O-CD 3.36Å
27E42.4Very low44.1Very low155 Ų155139.8 Ų139.872%0.72475%0.747SS**PPolyproline II helixtrans-84.8118.2-179.7-159.1-99.1133.700108.4
28P50.5Low44.8Very low93 Ų93139.7 Ų139.760%0.60475%0.746SS**PPolyproline II helixtrans-92.3129.6170.327.8-16.1000110.2G26G26-P28 WeakPolarHBondContact O-CD 3.36Å
29D46.1Very low45.4Very low88 Ų88141.1 Ų141.147%0.47174%0.743SS.*  trans-36.8132.9176.9-173.813.4000114.3R31 D32D29-R31 PolarHBondContact O-N 3.09Å; D29-D32 PolarHBondContact O-N 3.17Å; D29-D32 VanDerWaalsContact O-N 3.13Å
30P52.2Low46.4Very low104 Ų104136 Ų13668%0.67574%0.737SS**THydrogen-bonded Turntrans-62.54.2176.422.8-33.6000115.4
31R53Low47.9Very low212 Ų212131.5 Ų131.580%0.871%0.713SS**THydrogen-bonded Turntrans-90-13.5172.8-51.6-156.3111.4-168.92.8114D29D29-R31 PolarHBondContact O-N 3.09Å
32D46.9Very low49.6Very low111 Ų111131 Ų13159%0.59470%0.697SS**SBendtrans-88.9-8.5174.4-90.4-49.4000114.1D29 L34 T35D29-D32 PolarHBondContact O-N 3.17Å; D29-D32 VanDerWaalsContact O-N 3.13Å; D32-L34 VanDerWaalsContact C-N 3.31Å; D32-L34 PolarHBondContact O-N 2.97Å; D32-T35 PolarHBondContact O-OG1 2.94Å; D32-T35 VanDerWaalsContact O-OG1 3.08Å
33A44.1Very low51.2Low78 Ų78132.5 Ų132.565%0.64569%0.686SS**G310 helixtrans-78.8-12.7177.300000113.7T35A33-T35 VanDerWaalsContact C-N 3.34Å
34L45Very low53Low167 Ų167127.1 Ų127.187%0.87467%0.674SS**G310 helixtrans-88-5.8-178.6-135.8136.8000113.1D32D32-L34 VanDerWaalsContact C-N 3.31Å; D32-L34 PolarHBondContact O-N 2.97Å
35T45.6Very low54.5Low112 Ų112123.1 Ų123.169%0.68766%0.655SS**G310 helixtrans-94.14.4-1805.60000113.5D32 A33D32-T35 PolarHBondContact O-OG1 2.94Å; D32-T35 VanDerWaalsContact O-OG1 3.08Å; A33-T35 VanDerWaalsContact C-N 3.34Å
36Q40Very low55.9Low163 Ų163115.1 Ų115.176%0.76263%0.629SS**SBendtrans-130.762.8-166.4-157.5164.943.200113.6
37Q41.6Very low57.3Low184 Ų184119.5 Ų119.586%0.8663%0.625SS**  trans-169.965.1149.1-111173.161.800110.9H39Q37-H39 VanDerWaalsContact C-N 3.29Å; Q37-H39 PolarHBondContact O-N 2.92Å
38V52.7Low58.7Low130 Ų130115.7 Ų115.779%0.78862%0.619SS**  trans-71.598.3156.1-179.30000105.6V40V38-V40 VanDerWaalsContact C-N 3.28Å; V38-V40 PolarHBondContact O-N 2.93Å
39H58.1Low59.4Low138 Ų138116.3 Ų116.364%0.63962%0.617SS**  trans-64.490.9175.7-173.6-75.5000108.5Q37 L41Q37-H39 VanDerWaalsContact C-N 3.29Å; Q37-H39 PolarHBondContact O-N 2.92Å; H39-L41 PolarHBondContact O-N 2.87Å
40V63.2Low60Low124 Ų124120 Ų12075%0.75262%0.624SS**  trans-65.6101.9173.8-175.90000107.1V38 S42V38-V40 VanDerWaalsContact C-N 3.28Å; V38-V40 PolarHBondContact O-N 2.93Å; V40-S42 PolarHBondContact O-N 2.85Å
41L74.2Confident60.2Low55 Ų55121.3 Ų121.329%0.28863%0.626SS.*  trans-55.3134.2172.8-67.8163.1000108.5H39 Q45 I46 I49H39-L41 PolarHBondContact O-N 2.87Å; L41-Q45 HydrophobicContact CB-CB 4.12Å; L41-Q45 HydrophobicContact CB-CG 4.46Å; L41-Q45 HydrophobicContact CD2-CB 4.26Å; L41-Q45 HydrophobicContact CD2-CG 3.67Å; L41-I46 HydrophobicContact CB-CD1 4.44Å; L41-I46 HydrophobicContact CB-CG1 3.68Å; L41-I46 WeakPolarHBondContact O-CD1 3.39Å; L41-I49 HydrophobicContact CD1-CD1 3.68Å; L41-I49 HydrophobicContact CD2-CD1 4.14Å
42S77.3Confident60.2Low64 Ų64116.6 Ų116.645%0.44862%0.62SS.*  trans-57.3154.2174.370.20000110V40 D44 Q45 I46V40-S42 PolarHBondContact O-N 2.85Å; S42-D44 PolarHBondContact O-N 3.08Å; S42-Q45 CarbonylContact O-C 3.57Å; S42-Q45 WeakPolarHBondContact O-CA 3.3Å; S42-Q45 WeakPolarHBondContact O-CB 3.48Å; S42-Q45 PolarHBondContact O-N 2.74Å; S42-Q45 WeakPolarHBondContact OG-CB 3.42Å; S42-Q45 PolarHBondContact OG-N 2.81Å; S42-I46 PolarHBondContact O-N 3Å
43L72.3Confident60.6Low114 Ų114114.7 Ų114.760%0.59761%0.61SS**Hα-helixtrans-54-32.8-178.6-124.2177.4000112.1R47L43-R47 WeakPolarHBondContact O-CB 3.26Å; L43-R47 VanDerWaalsContact O-CG 3.3Å; L43-R47 WeakPolarHBondContact O-CG 3.44Å; L43-R47 PolarHBondContact O-N 3.13Å
44D77.6Confident61.3Low114 Ų114119.6 Ų119.661%0.6162%0.62SS**Hα-helixtrans-70.7-35.2175-62.8-40.8000112.8S42 R47 A48S42-D44 PolarHBondContact O-N 3.08Å; D44-R47 PolarHBondContact O-N 2.71Å; D44-A48 WeakPolarHBondContact O-CB 3.49Å; D44-A48 PolarHBondContact O-N 3.28Å
45Q76.8Confident62Low84 Ų84121.7 Ų121.739%0.39362%0.617SS.*Hα-helixtrans-75-34.5176.4-154.1178-3.100111.5L41 S42 A48 I49L41-Q45 HydrophobicContact CB-CB 4.12Å; L41-Q45 HydrophobicContact CB-CG 4.46Å; L41-Q45 HydrophobicContact CD2-CB 4.26Å; L41-Q45 HydrophobicContact CD2-CG 3.67Å; S42-Q45 CarbonylContact O-C 3.57Å; S42-Q45 WeakPolarHBondContact O-CA 3.3Å; S42-Q45 WeakPolarHBondContact O-CB 3.48Å; S42-Q45 PolarHBondContact O-N 2.74Å; S42-Q45 WeakPolarHBondContact OG-CB 3.42Å; S42-Q45 PolarHBondContact OG-N 2.81Å; Q45-A48 PolarHBondContact O-N 3.43Å; Q45-I49 HydrophobicContact CG-CD1 4.25Å; Q45-I49 WeakPolarHBondContact O-CD1 3.36Å; Q45-I49 VanDerWaalsContact O-CG1 3.25Å; Q45-I49 WeakPolarHBondContact O-CG1 3.46Å; Q45-I49 PolarHBondContact O-N 2.99Å; Q45-I49 VanDerWaalsContact O-N 3.09Å
46I70.9Confident63Low61 Ų61121.3 Ų121.331%0.31362%0.615SS.*Hα-helixtrans-63.9-46.5169.3-61.4171.7000109.8L41 S42 A48 I49 R50L41-I46 HydrophobicContact CB-CD1 4.44Å; L41-I46 HydrophobicContact CB-CG1 3.68Å; L41-I46 WeakPolarHBondContact O-CD1 3.39Å; S42-I46 PolarHBondContact O-N 3Å; I46-A48 VanDerWaalsContact C-N 3.28Å; I46-A48 PolarHBondContact O-N 2.94Å; I46-I49 PolarHBondContact O-N 2.84Å; I46-R50 VanDerWaalsContact O-CB 3.3Å; I46-R50 WeakPolarHBondContact O-CB 3.49Å; I46-R50 PolarHBondContact O-N 2.98Å
47R73.6Confident63.6Low159 Ų159122.2 Ų122.260%0.662%0.619SS**Hα-helixtrans-61.1-35.8176.3-76.4175-170.7169.82.1112.7L43 D44 N51L43-R47 WeakPolarHBondContact O-CB 3.26Å; L43-R47 VanDerWaalsContact O-CG 3.3Å; L43-R47 WeakPolarHBondContact O-CG 3.44Å; L43-R47 PolarHBondContact O-N 3.13Å; D44-R47 PolarHBondContact O-N 2.71Å; R47-N51 PolarHBondContact O-N 3.45Å
48A70.2Confident64.3Low74 Ų74115.5 Ų115.561%0.61260%0.6SS**Hα-helixtrans-70.7-30.3177.100000113.5D44 Q45 I46D44-A48 WeakPolarHBondContact O-CB 3.49Å; D44-A48 PolarHBondContact O-N 3.28Å; Q45-A48 PolarHBondContact O-N 3.43Å; I46-A48 VanDerWaalsContact C-N 3.28Å; I46-A48 PolarHBondContact O-N 2.94Å
49I66.1Low64.2Low107 Ų107115.1 Ų115.155%0.54960%0.6SS.*Hα-helixtrans-90.8-30.3-179.5-63.2162.8000111.6L41 Q45 I46L41-I49 HydrophobicContact CD1-CD1 3.68Å; L41-I49 HydrophobicContact CD2-CD1 4.14Å; Q45-I49 HydrophobicContact CG-CD1 4.25Å; Q45-I49 WeakPolarHBondContact O-CD1 3.36Å; Q45-I49 VanDerWaalsContact O-CG1 3.25Å; Q45-I49 WeakPolarHBondContact O-CG1 3.46Å; Q45-I49 PolarHBondContact O-N 2.99Å; Q45-I49 VanDerWaalsContact O-N 3.09Å; I46-I49 PolarHBondContact O-N 2.84Å
50R59.7Low63.9Low164 Ų164114.7 Ų114.762%0.61961%0.607SS**SBendtrans-97.410.5-177.9-92.4-176.7151.9167.6-2.6115.6I46 T52I46-R50 VanDerWaalsContact O-CB 3.3Å; I46-R50 WeakPolarHBondContact O-CB 3.49Å; I46-R50 PolarHBondContact O-N 2.98Å; R50-T52 PolarHBondContact O-N 3.13Å
51N56.3Low63.2Low133 Ų133114.8 Ų114.871%0.71161%0.608SS**SBendtrans-68.3-3.8-179.499.1-21.9000114.1R47R47-N51 PolarHBondContact O-N 3.45Å
52T51.5Low61.9Low112 Ų112116.6 Ų116.669%0.68762%0.621SS**  trans-119.873.1170.7610000110.3R50 E54R50-T52 PolarHBondContact O-N 3.13Å; T52-E54 PolarHBondContact O-N 3.31Å
53N55.9Low60.4Low71 Ų71118.7 Ų118.738%0.3863%0.633SS.*  trans-87.894.1165.2-80.1-9.3000108.7Y55 T56N53-Y55 PolarHBondContact O-N 3.34Å; N53-Y55 VanDerWaalsContact O-N 3.08Å; N53-T56 WeakPolarHBondContact CB-OG1 3.35Å; N53-T56 PolarHBondContact O-N 3.39Å; N53-T56 PolarHBondContact O-OG1 2.78Å; N53-T56 VanDerWaalsContact O-OG1 3.06Å
54E59.4Low59Low182 Ų182123.5 Ų123.585%0.8564%0.643SS**THydrogen-bonded Turntrans-61.7-13.7179.3-162.3162.3109.500113.5T52T52-E54 PolarHBondContact O-N 3.31Å
55Y58.8Low57.4Low210 Ų210124 Ų12482%0.82465%0.652SS**THydrogen-bonded Turntrans-96.2-8-178.5-72.7-84.4000115.6N53N53-Y55 PolarHBondContact O-N 3.34Å; N53-Y55 VanDerWaalsContact O-N 3.08Å
56T66.6Low55.6Low105 Ų105123.5 Ų123.564%0.64467%0.671SS**SBendtrans-95.8-8.9-177.327.20000114.7N53 G58N53-T56 WeakPolarHBondContact CB-OG1 3.35Å; N53-T56 PolarHBondContact O-N 3.39Å; N53-T56 PolarHBondContact O-OG1 2.78Å; N53-T56 VanDerWaalsContact O-OG1 3.06Å; T56-G58 PolarHBondContact O-N 3.22Å; T56-G58 VanDerWaalsContact O-N 3.15Å
57E52.6Low54.3Low181 Ų181127.9 Ų127.985%0.84669%0.694SS**  trans-92.754.5179.2-50.8-158.6-171.600110.8
58G57.4Low52.9Low44 Ų44129.5 Ų129.545%0.45471%0.705SS.*  trans-66.4153.2159.200000109.7T56 T60T56-G58 PolarHBondContact O-N 3.22Å; T56-G58 VanDerWaalsContact O-N 3.15Å; G58-T60 PolarHBondContact O-N 3.2Å
59P49.6Very low51.5Low122 Ų122132 Ų13279%0.79272%0.715SS**  trans-63.4101.6-165.625.2-33000111.4V61P59-V61 PolarHBondContact O-N 3.05Å; P59-V61 VanDerWaalsContact O-N 3.1Å
60T51.5Low50.5Low129 Ų129131.5 Ų131.579%0.79173%0.727SS**  trans-64.8113169.6-55.20000108.3G58 V62G58-T60 PolarHBondContact O-N 3.2Å; T60-V62 PolarHBondContact O-N 3.14Å; T60-V62 VanDerWaalsContact O-N 3.14Å
61V49.3Very low50Low125 Ų125129.7 Ų129.776%0.75874%0.737SS**  trans-54.3115174.5177.10000109P59 P63P59-V61 PolarHBondContact O-N 3.05Å; P59-V61 VanDerWaalsContact O-N 3.1Å; V61-P63 WeakPolarHBondContact O-CD 3.36Å
62V46.5Very low49.3Very low94 Ų94135 Ų13557%0.5775%0.747SS**PPolyproline II helixtrans-73.5123.2165.7174.90000107.2T60 R64T60-V62 PolarHBondContact O-N 3.14Å; T60-V62 VanDerWaalsContact O-N 3.14Å; V62-R64 PolarHBondContact O-N 3.37Å
63P46.3Very low48.8Very low108 Ų108135.3 Ų135.370%0.70175%0.75SS**PPolyproline II helixtrans-61.4126.1171.5-1830.7000109.8V61V61-P63 WeakPolarHBondContact O-CD 3.36Å
64R41.5Very low48Very low215 Ų215136.9 Ų136.981%0.81177%0.767SS**PPolyproline II helixtrans-58.7131.4172.2-82-167.2-175.7-168.32.5110V62V62-R64 PolarHBondContact O-N 3.37Å
65P45.3Very low47.2Very low123 Ų123134.2 Ų134.280%0.79976%0.763SS**PPolyproline II helixtrans-62.7139.1164.3-19.332.2000110.7
66G38.2Very low46.5Very low75 Ų75132.6 Ų132.677%0.77376%0.763SS**PPolyproline II helixtrans-49.9127.4-165.100000117
67L43.7Very low45.3Very low152 Ų152136 Ų13680%0.79677%0.771SS**  trans-80.7105.6150.9-84152.2000107.4
68K44.1Very low44.6Very low194 Ų194136.1 Ų136.184%0.84377%0.769SS**PPolyproline II helixtrans-63.4137.1169.5-71.1178.1175.1179.50109.3A70K68-A70 PolarHBondContact O-N 3.06Å
69P40.4Very low44Very low125 Ų125141.8 Ų141.881%0.81278%0.783SS**PPolyproline II helixtrans-74124.9175.928.6-29.2000109.8
70A45.3Very low43.5Very low97 Ų97142.7 Ų142.780%0.80278%0.777SS**PPolyproline II helixtrans-80.5131.5175.300000111.1K68K68-A70 PolarHBondContact O-N 3.06Å
71P49.5Very low42.8Very low127 Ų127146.9 Ų146.983%0.82578%0.779SS**PPolyproline II helixtrans-89.6138.2159.9118.9000110.6
72R42Very low42.4Very low245 Ų245146.7 Ų146.793%0.92577%0.772SS**PPolyproline II helixtrans-76.2169.9179.4-96.1-171.3-166.6-144.34.8112.9
73P41.7Very low42.2Very low117 Ų117150.3 Ų150.376%0.7678%0.783SS**  -115.1174.1-127.242.9-36.8000115.1
74S39.4Very low41.6Very low105 Ų105148.3 Ų148.373%0.73478%0.782SS**  trans-156.5105.5153.555.90000112.9
75T41.6Very low41.7Very low125 Ų125146.3 Ų146.377%0.76779%0.786SS**  53138.1129.263.30000123.4
76Q44.3Very low41.4Very low176 Ų176145.7 Ų145.782%0.82278%0.783SS**  trans88.3139.1156.2-58.6-168.6100117.1
77H40.3Very low41.5Very low177 Ų177151.3 Ų151.382%0.81979%0.789SS**  cis-172.4162-16.7-132.4-98.9000105.7
78K39.2Very low41.3Very low184 Ų184151 Ų15180%0.878%0.783SS**  trans95.6104.7153.6-147.5172.2-177.3179.60117.5
79H43.6Very low41.2Very low162 Ų162151.7 Ų151.775%0.7578%0.78SS**  61.7131.587.1-113.9-158.5000112.7
80E39.7Very low41.3Very low142 Ų142154.1 Ų154.166%0.66478%0.781SS**  cis-164.7141.331.8-96157.187.900107.6
81R38.1Very low41.6Very low217 Ų217154.5 Ų154.582%0.81978%0.775SS**  81.8119.983.2-138.7-165.1-162.11616117
82L40.5Very low41.3Very low120 Ų120154.7 Ų154.763%0.62878%0.776SS**  trans100140.1131.1-135.464.2000122.6
83H42.3Very low41.1Very low170 Ų170154.2 Ų154.279%0.78777%0.774SS**  trans84.5126.4163.1-58.1-76.8000117.8
84G33.6Very low41.5Very low67 Ų67156.3 Ų156.369%0.69178%0.779SS**  cis115.396.29.100000111.9
85L42.6Very low41.7Very low172 Ų172159.6 Ų159.690%0.90178%0.782SS**  trans178.9135.4145.2-132.897.1000112.2
86P39.4Very low41.4Very low111 Ų111161.8 Ų161.872%0.72178%0.783SS**  trans-112.5153.7164.337.3-25.7000112.3
87E39.6Very low41.3Very low193 Ų193159.1 Ų159.190%0.90279%0.785SS**  trans153.9120.7147.9-94-172.879.400111.2
88H41.2Very low41.2Very low145 Ų145158.2 Ų158.267%0.67178%0.781SS**  -163.7119.9128.3-142.621.1000115.6
89R41.9Very low41.5Very low209 Ų209155.9 Ų155.979%0.78978%0.782SS**  trans70.2111.2137-103.1-176.7177.1119.3-2.1123.2
90Q40.8Very low41.4Very low175 Ų175156.4 Ų156.482%0.81878%0.784SS**  trans-100.2-170144.3-88.2-162.9-4.300109.5
91P52.2Low41.3Very low106 Ų106155.4 Ų155.469%0.68879%0.792SS**  -130.3-152.6-51.839.4-19.3000109.9
92P44.3Very low41.6Very low131 Ų131151.1 Ų151.185%0.85180%0.796SS**  -150.6-16863.838-12.2000116.8
93R37.1Very low41.5Very low234 Ų234149.8 Ų149.888%0.88380%0.802SS**  trans-109.7150.1-154-179.3-170.2-156157.23112.8
94L49.3Very low41.6Very low162 Ų162153.3 Ų153.385%0.84881%0.808SS**  trans-146.5101.6162.1-92.9150.1000108.2
95Q44.2Very low42.2Very low174 Ų174154.6 Ų154.681%0.81381%0.812SS**  56.5104.5100.4-74.2-174.530.500115.2
96H35.4Very low42.5Very low170 Ų170151.9 Ų151.979%0.78781%0.805SS**  88111.278.7-140.691.2000114.1
97S42.2Very low42.7Very low121 Ų121154.6 Ų154.685%0.84681%0.813SS**  trans-170.9127.9133-132.20000112.7
98Q37.9Very low42.7Very low158 Ų158150.4 Ų150.474%0.73881%0.805SS**  trans-84.9148.8173.9-64.3-177.8-46.900111.3
99V45.1Very low42.9Very low135 Ų135155.1 Ų155.182%0.81882%0.817SS**  trans-150.4111.8143.7-1770000111.6
100H42Very low42.8Very low173 Ų173150.5 Ų150.580%0.80182%0.817SS**  trans40.7126.8138-68.5-91.2000125.4
101S36.8Very low43.3Very low120 Ų120149.7 Ų149.784%0.83982%0.816SS**  trans-52.6150.6156.1-49.20000115.6
102S46Very low42.7Very low128 Ų128149.7 Ų149.790%0.89582%0.819SS**  trans-164.8142.3130.4-156.50000112.9
103A37.7Very low42.9Very low91 Ų91150 Ų15075%0.75282%0.818SS**  trans-91.7150.4-176.300000112.5
104R43.3Very low43.4Very low244 Ų244144.9 Ų144.992%0.92181%0.813SS**  trans-165105.9146.4-146.5159.8-173.9147.80.6114.4
105A47.9Very low42.9Very low94 Ų94142.4 Ų142.478%0.77781%0.809SS**  42.7157.4124.500000124.2
106P47.4Very low42.9Very low116 Ų116140.3 Ų140.375%0.75381%0.813SS**  trans-111.6172.7-146.741.4-30.4000114.8
107L45.1Very low43Very low168 Ų168135.5 Ų135.588%0.8881%0.81SS**  trans-134.5111.3170.7-73.4174.3000113.4
108S39.7Very low43.2Very low105 Ų105135.5 Ų135.573%0.73481%0.81SS**  trans26.3126133.9-52.90000121.1
109R45.1Very low43.4Very low243 Ų243139.5 Ų139.592%0.91782%0.819SS**  -161.1116.6122.1-152.3165.2-75.6143.5-3.4112.6
110S40Very low43.5Very low113 Ų113138.9 Ų138.979%0.7982%0.82SS**  trans-76.1146.9169.5-50.70000111.4
111I51.2Low43.4Very low158 Ų158136.4 Ų136.481%0.8182%0.822SS**  trans-129.9115.6156.6-72.8179.1000107.8
112S39Very low43.7Very low106 Ų106136.9 Ų136.974%0.74182%0.82SS**  trans-84136.3162.335.60000109
113T48.3Very low43.8Very low137 Ų137142 Ų14284%0.8482%0.82SS**  trans-145.7138.715134.60000109.7
114V48.6Very low44.2Very low126 Ų126143.9 Ų143.976%0.76482%0.823SS**  trans-104.4151.4-166.8-77.70000110.2
115S37.5Very low44.3Very low111 Ų111136.6 Ų136.678%0.77681%0.809SS**  trans60.5111.1141.5-52.90000120.8
116S45.1Very low44.2Very low129 Ų129138.2 Ų138.290%0.90281%0.809SS**  trans-170.8122.9135.8-75.70000105.9
117G37.3Very low44.1Very low70 Ų70138.7 Ų138.772%0.72282%0.815SS**  cis9485.731.300000109.3
118S45.6Very low43.9Very low120 Ų120136 Ų13684%0.83981%0.811SS**  trans161.9105.7156.4-75.40000109
119R43.4Very low44.1Very low243 Ų243136.4 Ų136.492%0.91781%0.814SS**  47.798.376.4-73.8-172.1155.9-166.1-5.5114.8
120S45.9Very low44.1Very low122 Ų122130 Ų13085%0.85381%0.806SS**  trans-177112.8131-83.50000111.1
121S40.1Very low44.5Very low121 Ų121128.6 Ų128.685%0.84680%0.796SS**  trans-119.3117.4165.9-66.50000108.1
122T43.8Very low44.1Very low130 Ų130128.9 Ų128.980%0.79879%0.794SS**  trans-168.8100.6163.6-2.60000107.8
123R48.5Very low44.3Very low234 Ų234132.2 Ų132.288%0.88380%0.798SS**  56.8119.5105.2-81.5-18067.5-171.80.7115.7
124T45.9Very low44.1Very low132 Ų132137.3 Ų137.381%0.8180%0.802SS**  trans172.1105.6132.530.20000107.8
125S45.3Very low43.7Very low90 Ų90139.1 Ų139.163%0.62981%0.806SS**  67.1105.588.263.60000114.9
126T45.5Very low44.1Very low129 Ų129142.3 Ų142.379%0.79181%0.814SS**  78.8113.5112.757.70000117
127S45.3Very low43.8Very low125 Ų125139.6 Ų139.687%0.87481%0.806SS**  155.3145116.154.30000112.4
128S41.2Very low43.9Very low113 Ų113141.2 Ų141.279%0.7981%0.806SS**  trans-107.7-177.2-168.2-46.10000111.6
129S44.7Very low43.6Very low113 Ų113141.1 Ų141.179%0.7981%0.806SS**  trans98.5113.6163.577.40000115.3
130S43.2Very low43.7Very low109 Ų109138.2 Ų138.276%0.76280%0.8SS**  86.9141.385.1-1790000109.8
131S48.7Very low43.5Very low82 Ų82137.2 Ų137.257%0.57379%0.793SS**  cis-171.2148.2-3.7-94.30000105.9
132E42.3Very low43.6Very low165 Ų165137.4 Ų137.477%0.77179%0.794SS**  trans59.4153.3134.4-54.3175.3153.500122.8
133Q44.6Very low43.3Very low175 Ų175134.6 Ų134.682%0.81879%0.791SS**  trans91.597.2157.3-51178.27.700117.6
134R42.8Very low42.9Very low245 Ų245129.8 Ų129.893%0.92579%0.79SS**  -18099.8108.3-99.3-177.1166.6-170.1-3.6111.5
135L41.2Very low43Very low164 Ų164129.8 Ų129.886%0.85979%0.79SS**  trans-95158.8146.3-79168.1000107.7
136L45.6Very low43.2Very low178 Ų178129.9 Ų129.993%0.93280%0.796SS**  trans94.8113.6175.7-49179.7000115.4
137G39Very low43.3Very low72 Ų72131.8 Ų131.874%0.74280%0.802SS**  trans153.375.8153.800000115.7
138S39.8Very low43.7Very low103 Ų103128.7 Ų128.772%0.7279%0.789SS**  171.8106.2124.7-86.80000111.2
139S39.1Very low44.3Very low119 Ų119130.5 Ų130.583%0.83279%0.788SS**  trans-90.4121157.5-53.20000108
140F45.3Very low44.8Very low181 Ų181132.7 Ų132.779%0.79479%0.79SS**  trans-132.8108157.9-70.5-77.1000105.4
141S42Very low45.7Very low102 Ų102138.4 Ų138.471%0.71379%0.794SS**  91.693.191-172.80000111.9
142S42.1Very low46.5Very low124 Ų124140 Ų14087%0.86780%0.801SS**  trans41.8112.2132.2-44.40000119.9
143G37.7Very low47.3Very low72 Ų72140.8 Ų140.874%0.74280%0.804SS**  trans176.4119.1157.900000112.5
144P40.5Very low48.2Very low132 Ų132138.1 Ų138.186%0.85780%0.802SS**  trans-95.1123.1-178.734.5-26.7000111
145V46.3Very low48.5Very low132 Ų132135.7 Ų135.780%0.880%0.798SS**  trans-144.5106.2168.3-170.70000104.7
146A50.8Low49.1Very low92 Ų92132.4 Ų132.476%0.7679%0.789SS**  42.6122.3104.100000110.9
147D48Very low49Very low170 Ų170132.6 Ų132.691%0.90979%0.785SS**  cis174.4159.537.7-178.818.2000104.7
148G52.6Low49.5Very low59 Ų59136.4 Ų136.461%0.60879%0.788SS**  trans102.253.9164.700000117.9I150G148-I150 PolarHBondContact O-N 2.95Å
149I54.6Low49.6Very low151 Ų151140.1 Ų140.177%0.77479%0.791SS**  trans-77.1109.2156.6-65.5167.8000107.9R151I149-R151 PolarHBondContact O-N 3.33Å
150I55.6Low49.8Very low160 Ų160140.6 Ų140.682%0.82179%0.791SS**  trans-61.7101.7175.3-58.4170.5000108.6G148G148-I150 PolarHBondContact O-N 2.95Å
151R60.5Low49.6Very low229 Ų229135.3 Ų135.386%0.86479%0.788SS**  trans-98.29.1-173.9-121.5-176.4-143.5-127.14.3115.2I149I149-R151 PolarHBondContact O-N 3.33Å
152V67.2Low49.5Very low116 Ų116139.2 Ų139.270%0.70380%0.795SS**  trans-143107.2-178.3-165.50000109.2
153Q57.3Low49.7Very low180 Ų180141.5 Ų141.584%0.84180%0.796SS**  trans-61.7133.5158.4-91.9-175.826.600107.4K155Q153-K155 PolarHBondContact O-N 3.04Å
154P64.5Low49.7Very low120 Ų120147.2 Ų147.278%0.77980%0.801SS**  trans-58.3112170.723.3-30.3000107.8S156P154-S156 PolarHBondContact O-N 3.27Å
155K49.7Very low49.9Very low193 Ų193146.3 Ų146.384%0.83980%0.795SS**  trans-63.1107.6174.8-154.8165.3-173.21730105.8Q153 E157Q153-K155 PolarHBondContact O-N 3.04Å; K155-E157 VanDerWaalsContact C-N 3.26Å; K155-E157 PolarHBondContact O-N 3.3Å
156S53.7Low49.7Very low96 Ų96146.5 Ų146.567%0.67179%0.791SS**  trans-65.694.9169.1450000107P154 L158P154-S156 PolarHBondContact O-N 3.27Å; S156-L158 PolarHBondContact O-N 2.85Å
157E43.7Very low49.3Very low181 Ų181145.6 Ų145.685%0.84678%0.779SS**  trans-68.276.8160.5-66.9-155.7121.800107.5K155 K159K155-E157 VanDerWaalsContact C-N 3.26Å; K155-E157 PolarHBondContact O-N 3.3Å; E157-K159 PolarHBondContact O-N 3.1Å
158L48Very low49.3Very low153 Ų153146.8 Ų146.880%0.80178%0.776SS**  trans-68.880161.5-89.6147.4000106.9S156S156-L158 PolarHBondContact O-N 2.85Å
159K42.5Very low49.3Very low181 Ų181150.7 Ų150.779%0.78778%0.778SS**  trans-47.1129157.3-139.2172.4-177.31750106.2E157 G161E157-K159 PolarHBondContact O-N 3.1Å; K159-G161 PolarHBondContact O-N 2.96Å
160P44.2Very low49.2Very low129 Ų129147.5 Ų147.584%0.83876%0.763SS**  trans-66.988.7175.526.4-30.2000107.3E162P160-E162 VanDerWaalsContact C-N 3.28Å; P160-E162 PolarHBondContact O-N 2.83Å
161G39.3Very low49.1Very low70 Ų70145.7 Ų145.772%0.72275%0.754SS**  trans-70.990.9176.300000107.7K159 L163K159-G161 PolarHBondContact O-N 2.96Å; G161-L163 PolarHBondContact O-N 3.45Å
162E41Very low49.1Very low184 Ų184136.7 Ų136.786%0.8673%0.733SS**  trans2107.9147.1-148.5166.4119.500112.4P160 K164P160-E162 VanDerWaalsContact C-N 3.28Å; P160-E162 PolarHBondContact O-N 2.83Å; E162-K164 VanDerWaalsContact C-N 3.31Å; E162-K164 PolarHBondContact O-N 2.87Å
163L45.5Very low49Very low172 Ų172134.8 Ų134.890%0.90172%0.719SS**  trans-44.994.8172.4-73.4152.6000109.1G161 P165G161-L163 PolarHBondContact O-N 3.45Å; L163-P165 WeakPolarHBondContact O-CD 3.25Å
164K39.2Very low50.1Low191 Ų191130.1 Ų130.183%0.8370%0.697SS**  trans-68.9119.5174.6-165.1153.7-175.5167.20106.4E162 L166E162-K164 VanDerWaalsContact C-N 3.31Å; E162-K164 PolarHBondContact O-N 2.87Å; K164-L166 PolarHBondContact O-N 3.09Å; K164-L166 VanDerWaalsContact O-N 3.13Å
165P43.4Very low50.8Low114 Ų114125.3 Ų125.374%0.7467%0.667SS**  trans-61.6121.3-178.423.3-30.8000108.8L163 S167L163-P165 WeakPolarHBondContact O-CD 3.25Å; P165-S167 PolarHBondContact O-N 3.39Å; P165-S167 VanDerWaalsContact O-N 3.13Å
166L43.3Very low52.3Low135 Ų135122.2 Ų122.271%0.70765%0.65SS**  trans22.982151-164.673.8000113K164 D170K164-L166 PolarHBondContact O-N 3.09Å; K164-L166 VanDerWaalsContact O-N 3.13Å; L166-D170 HydrophobicContact CD1-CB 4.43Å
167S40.7Very low53.9Low74 Ų74123.5 Ų123.552%0.51764%0.641SS.*  trans-62.9143.6176.571.60000109.2P165 E169 D170P165-S167 PolarHBondContact O-N 3.39Å; P165-S167 VanDerWaalsContact O-N 3.13Å; S167-E169 WeakPolarHBondContact CB-OE2 3.4Å; S167-E169 PolarHBondContact O-N 2.96Å; S167-E169 PolarHBondContact OG-OE2 3.36Å; S167-D170 PolarHBondContact O-N 2.83Å
168K49.5Very low56Low195 Ų195115 Ų11585%0.84860%0.601SS**THydrogen-bonded Turntrans-60.16-169.9-72.2168.3172.5170.60115.6
169E52Low57.9Low141 Ų141113.4 Ų113.466%0.65959%0.59SS**THydrogen-bonded Turntrans-78.5-29.5177.8-74.2135.1114.200112.9S167 L171 G172 L173S167-E169 WeakPolarHBondContact CB-OE2 3.4Å; S167-E169 PolarHBondContact O-N 2.96Å; S167-E169 PolarHBondContact OG-OE2 3.36Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 3.46Å; E169-G172 PolarHBondContact O-N 2.83Å; E169-L173 VanDerWaalsContact O-CD1 3.26Å; E169-L173 WeakPolarHBondContact O-CD1 3.43Å
170D52.1Low59.9Low84 Ų84110.2 Ų110.245%0.44958%0.581SS.*Hα-helixtrans-69.5-29-179.8-134-91.5000112.8L166 S167 G172 L173L166-D170 HydrophobicContact CD1-CB 4.43Å; S167-D170 PolarHBondContact O-N 2.83Å; D170-G172 PolarHBondContact O-N 3.35Å; D170-L173 PolarHBondContact O-N 2.88Å
171L54.3Low62Low121 Ų121106.5 Ų106.563%0.63456%0.558SS**Hα-helixtrans-67.5-16.8176.7-105.373.7000113.4E169E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 3.46Å
172G60Low64.2Low41 Ų41105.2 Ų105.242%0.42354%0.544SS..Hα-helixtrans-90.3-21.4177.900000114.3E169 D170 H174 A175E169-G172 PolarHBondContact O-N 2.83Å; D170-G172 PolarHBondContact O-N 3.35Å; G172-H174 VanDerWaalsContact C-N 3.27Å; G172-H174 PolarHBondContact O-N 3.2Å; G172-A175 WeakPolarHBondContact O-CB 3.3Å; G172-A175 PolarHBondContact O-N 3.01Å
173L66.3Low66.4Low76 Ų76101.1 Ų101.140%0.39852%0.524SS..Hα-helixtrans-67.6-28-171.1-97.174.6000112.9E169 D170 C186 E188E169-L173 VanDerWaalsContact O-CD1 3.26Å; E169-L173 WeakPolarHBondContact O-CD1 3.43Å; D170-L173 PolarHBondContact O-N 2.88Å; L173-C186 WeakPolarHBondContact O-CB 3.44Å; L173-E188 WeakPolarHBondContact CD2-OE1 3.27Å
174H79.4Confident68.6Low82 Ų8293.9 Ų93.938%0.3849%0.487SS..THydrogen-bonded Turntrans-97.911-178.3-63.9-70.5000115.2G172 Y176 C184 C186 E188 C189G172-H174 VanDerWaalsContact C-N 3.27Å; G172-H174 PolarHBondContact O-N 3.2Å; H174-Y176 PolarHBondContact O-N 3.48Å; H174-C184 WeakPolarHBondContact CA-SG 3.4Å; H174-C184 PolarHBondContact O-SG 3.37Å; H174-C184 VanDerWaalsContact O-SG 3.34Å; H174-C186 PolarHBondContact CE1-SG 3.4Å; H174-C186 PolarHBondContact ND1-SG 2.84Å; H174-E188 IonicContact CE1-OE2 3Å; H174-E188 IonicContact NE2-OE2 2.7Å; H174-C189 PolarHBondContact CE1-SG 3.4Å; H174-C189 PolarHBondContact ND1-SG 3.04Å
175A78.7Confident70.9Confident18 Ų1887.6 Ų87.615%0.14946%0.459CS..  trans-68.5-30.5-173.600000114.3G172 R177 C301G172-A175 WeakPolarHBondContact O-CB 3.3Å; G172-A175 PolarHBondContact O-N 3.01Å; A175-R177 PolarHBondContact O-N 3.15Å; A175-C301 PolarHBondContact O-N 3.06Å
176Y81.7Confident72.9Confident128 Ų12882.6 Ų82.650%0.50243%0.427SS..EExtended strand (participates in β ladder)trans-82.2114.3-177.4-59-79.1000111.2H174 C184 K185 C300H174-Y176 PolarHBondContact O-N 3.48Å; Y176-C184 CarbonylContact O-C 3.57Å; Y176-C184 WeakPolarHBondContact O-CA 3.2Å; Y176-C184 PolarHBondContact O-SG 3.34Å; Y176-C184 VanDerWaalsContact O-SG 3.37Å; Y176-K185 PolarHBondContact O-N 3.06Å; Y176-C300 HydrophobicContact CD1-CB 4.44Å; Y176-C300 HydrophobicContact CE1-CB 4.39Å
177R86.5Confident74.9Confident124 Ų12485.6 Ų85.647%0.46844%0.435SS..EExtended strand (participates in β ladder)trans-113.6147.8176-60.2-168.2-175.3-163.4-0.4111.1A175 G182 K183 T298 V299 C301A175-R177 PolarHBondContact O-N 3.15Å; R177-G182 WeakPolarHBondContact CD-O 3.06Å; R177-K183 WeakPolarHBondContact CA-O 3.15Å; R177-T298 CarbonylContact O-C 3.53Å; R177-T298 VanDerWaalsContact O-CA 3.3Å; R177-T298 WeakPolarHBondContact O-CA 3.39Å; R177-V299 HydrophobicContact CB-CG2 4.26Å; R177-V299 PolarHBondContact N-O 3.24Å; R177-V299 WeakPolarHBondContact O-CG2 3.28Å; R177-V299 PolarHBondContact O-N 3.35Å; R177-C301 WeakPolarHBondContact CD-SG 3.34Å
178C88.5Confident77Confident1 Ų186.5 Ų86.51%0.00743%0.431CS..EExtended strand (participates in β ladder)trans-71.2131173.71760000110.3D180 C181 G182 K183 K185 C291 S296C178-D180 PolarHBondContact SG-N 3.08Å; C178-C181 VanDerWaalsContact CB-SG 3.51Å; C178-C181 PolarHBondContact SG-SG 3.3Å; C178-G182 WeakPolarHBondContact O-CA 3.35Å; C178-G182 PolarHBondContact O-N 3.3Å; C178-K183 WeakPolarHBondContact CB-O 3.44Å; C178-K183 PolarHBondContact N-O 3.32Å; C178-K185 HydrophobicContact CB-CG 4.16Å; C178-C291 HydrophobicContact CB-CB 3.81Å; C178-C291 WeakPolarHBondContact CB-SG 3.32Å; C178-C291 PolarHBondContact SG-SG 3.05Å; C178-S296 WeakPolarHBondContact SG-CB 3.33Å; C178-S296 PolarHBondContact SG-OG 2.93Å
179E87.3Confident78.8Confident121 Ų12177.6 Ų77.657%0.56539%0.393SS*.THydrogen-bonded Turntrans-62.5-44.6175.6-166.5178.2169.100111.7C181 N297 V299E179-C181 PolarHBondContact O-N 3.03Å; E179-N297 PolarHBondContact N-O 3.04Å; E179-N297 WeakPolarHBondContact OE2-CB 3.43Å; E179-V299 HydrophobicContact CB-CG1 4.45Å; E179-V299 HydrophobicContact CG-CG1 4.49Å
180D86.2Confident80.4Confident114 Ų11473 Ų7361%0.6137%0.374SS*.THydrogen-bonded Turntrans-70.7-29.9-175-56-24.6000114.7C178 S296C178-D180 PolarHBondContact SG-N 3.08Å; D180-S296 WeakPolarHBondContact OD2-CA 3.49Å; D180-S296 WeakPolarHBondContact OD2-CB 3.31Å
181C88.5Confident82Confident51 Ų5176 Ų7635%0.34538%0.38SS..THydrogen-bonded Turntrans-129.2-1.5-171.773.20000114.5C178 E179 K183C178-C181 VanDerWaalsContact CB-SG 3.51Å; C178-C181 PolarHBondContact SG-SG 3.3Å; E179-C181 PolarHBondContact O-N 3.03Å; C181-K183 PolarHBondContact O-N 2.08Å
182G84.2Confident83.4Confident42 Ų4273.4 Ų73.443%0.43337%0.371SS..  trans65.5-4.1-179.300000115.4R177 C178R177-G182 WeakPolarHBondContact CD-O 3.06Å; C178-G182 WeakPolarHBondContact O-CA 3.35Å; C178-G182 PolarHBondContact O-N 3.3Å
183K88.4Confident84.7Confident99 Ų9974.5 Ų74.543%0.4336%0.362SS..  trans-79.5149.2-177-61.1-173.9178.8-163.70111.9R177 C178 C181 G290 C291R177-K183 WeakPolarHBondContact CA-O 3.15Å; C178-K183 WeakPolarHBondContact CB-O 3.44Å; C178-K183 PolarHBondContact N-O 3.32Å; C181-K183 PolarHBondContact O-N 2.08Å; K183-G290 WeakPolarHBondContact CD-O 3.46Å; K183-C291 HydrophobicContact CB-CB 4.27Å
184C90Very high85.6Confident19 Ų1974.6 Ų74.613%0.12837%0.367CS..BIsolated β-bridgetrans-64.9138.3178.4-169.80000111.9H174 Y176 C186 C189 G290 C291H174-C184 WeakPolarHBondContact CA-SG 3.4Å; H174-C184 PolarHBondContact O-SG 3.37Å; H174-C184 VanDerWaalsContact O-SG 3.34Å; Y176-C184 CarbonylContact O-C 3.57Å; Y176-C184 WeakPolarHBondContact O-CA 3.2Å; Y176-C184 PolarHBondContact O-SG 3.34Å; Y176-C184 VanDerWaalsContact O-SG 3.37Å; C184-C186 VanDerWaalsContact SG-CB 3.51Å; C184-C186 PolarHBondContact SG-N 3.42Å; C184-C186 VanDerWaalsContact SG-N 3.42Å; C184-C189 HydrophobicContact CB-CB 4.15Å; C184-C189 VanDerWaalsContact CB-SG 3.5Å; C184-C189 PolarHBondContact SG-SG 3.35Å; C184-G290 CarbonylContact O-C 3.51Å; C184-G290 VanDerWaalsContact O-CA 3.22Å; C184-G290 WeakPolarHBondContact O-CA 3.44Å; C184-C291 PolarHBondContact O-N 3.2Å
185K87.2Confident85.9Confident59 Ų5972.7 Ų72.726%0.25736%0.36SS..  trans-99.511176-67.6-134.2-164.7177.10113.3Y176 C178 T190 C291 S296 T298Y176-K185 PolarHBondContact O-N 3.06Å; C178-K185 HydrophobicContact CB-CG 4.16Å; K185-T190 PolarHBondContact O-OG1 2.85Å; K185-C291 HydrophobicContact CD-CB 4.22Å; K185-C291 HydrophobicContact CG-CB 3.74Å; K185-S296 WeakPolarHBondContact CE-OG 3.33Å; K185-S296 PolarHBondContact NZ-O 2.8Å; K185-S296 PolarHBondContact NZ-OG 3.42Å; K185-T298 HydrophobicContact CB-CG2 4.04Å; K185-T298 HydrophobicContact CD-CG2 3.36Å; K185-T298 HydrophobicContact CG-CG2 3.75Å
186C86.8Confident86.4Confident10 Ų1076.1 Ų76.17%0.06838%0.381CS..  trans-57.4152.8177.489.20000111.3L173 H174 C184 E188 C189 T190L173-C186 WeakPolarHBondContact O-CB 3.44Å; H174-C186 PolarHBondContact CE1-SG 3.4Å; H174-C186 PolarHBondContact ND1-SG 2.84Å; C184-C186 VanDerWaalsContact SG-CB 3.51Å; C184-C186 PolarHBondContact SG-N 3.42Å; C184-C186 VanDerWaalsContact SG-N 3.42Å; C186-E188 VanDerWaalsContact C-N 3.25Å; C186-E188 PolarHBondContact O-N 3.08Å; C186-C189 HydrophobicContact CB-CB 4.24Å; C186-C189 WeakPolarHBondContact CB-SG 3.3Å; C186-C189 WeakPolarHBondContact O-CB 3.47Å; C186-C189 PolarHBondContact O-N 3.41Å; C186-C189 WeakPolarHBondContact SG-CB 3.34Å; C186-C189 PolarHBondContact SG-N 3.06Å; C186-C189 CovalentContact SG-SG 2.08Å; C186-C189 PolarHBondContact SG-SG 3.48Å; C186-T190 VanDerWaalsContact O-CB 3.27Å; C186-T190 WeakPolarHBondContact O-CB 3.4Å; C186-T190 PolarHBondContact O-N 2.82Å; C186-T190 PolarHBondContact O-OG1 3.47Å
187K84.7Confident86.7Confident198 Ų19873.3 Ų73.386%0.86138%0.379SS*.Hα-helixtrans-56.8-41179.5-71.7-174.4178.9-178.80111.4C189 T190 Y191K187-C189 PolarHBondContact O-N 3.11Å; K187-T190 CarbonylContact O-C 3.54Å; K187-T190 PolarHBondContact O-N 3.48Å; K187-Y191 WeakPolarHBondContact O-CB 3.17Å; K187-Y191 PolarHBondContact O-N 3.4Å
188E85.6Confident86.8Confident93 Ų9372.7 Ų72.744%0.43539%0.386SS..Hα-helixtrans-69-33.7-179.3-57.1175.4176.100113.8L173 H174 C186 R193L173-E188 WeakPolarHBondContact CD2-OE1 3.27Å; H174-E188 IonicContact CE1-OE2 3Å; H174-E188 IonicContact NE2-OE2 2.7Å; C186-E188 VanDerWaalsContact C-N 3.25Å; C186-E188 PolarHBondContact O-N 3.08Å; E188-R193 PolarHBondContact O-NH1 3.34Å; E188-R193 PolarHBondContact O-NH2 2.9Å
189C86.2Confident86.8Confident7 Ų779.5 Ų79.55%0.04741%0.411CS..Hα-helixtrans-75-39.5179-490000110.4H174 C184 C186 K187 Y191 R288 G290H174-C189 PolarHBondContact CE1-SG 3.4Å; H174-C189 PolarHBondContact ND1-SG 3.04Å; C184-C189 HydrophobicContact CB-CB 4.15Å; C184-C189 VanDerWaalsContact CB-SG 3.5Å; C184-C189 PolarHBondContact SG-SG 3.35Å; C186-C189 HydrophobicContact CB-CB 4.24Å; C186-C189 WeakPolarHBondContact CB-SG 3.3Å; C186-C189 WeakPolarHBondContact O-CB 3.47Å; C186-C189 PolarHBondContact O-N 3.41Å; C186-C189 WeakPolarHBondContact SG-CB 3.34Å; C186-C189 PolarHBondContact SG-N 3.06Å; C186-C189 CovalentContact SG-SG 2.08Å; C186-C189 PolarHBondContact SG-SG 3.48Å; K187-C189 PolarHBondContact O-N 3.11Å; C189-Y191 VanDerWaalsContact C-N 3.34Å; C189-R288 WeakPolarHBondContact O-CG 3.49Å; C189-G290 WeakPolarHBondContact O-CA 3.22Å; C189-G290 PolarHBondContact O-N 3.36Å
190T86.4Confident86.9Confident44 Ų4477.4 Ų77.427%0.2740%0.403SS..Hα-helixtrans-89.3-4.7-176.5-45.80000110.7K185 C186 K187 R288K185-T190 PolarHBondContact O-OG1 2.85Å; C186-T190 VanDerWaalsContact O-CB 3.27Å; C186-T190 WeakPolarHBondContact O-CB 3.4Å; C186-T190 PolarHBondContact O-N 2.82Å; C186-T190 PolarHBondContact O-OG1 3.47Å; K187-T190 CarbonylContact O-C 3.54Å; K187-T190 PolarHBondContact O-N 3.48Å; T190-R288 VanDerWaalsContact CG2-NH2 3.26Å; T190-R288 PolarHBondContact O-NE 3.03Å; T190-R288 PolarHBondContact O-NH2 2.84Å
191Y84.7Confident86.9Confident148 Ų14875.6 Ų75.658%0.5840%0.398SS*.SBendtrans-70.1131177.8-168.3-104.2000110.7K187 C189 R193K187-Y191 WeakPolarHBondContact O-CB 3.17Å; K187-Y191 PolarHBondContact O-N 3.4Å; C189-Y191 VanDerWaalsContact C-N 3.34Å; Y191-R193 PolarHBondContact O-N 2.79Å
192P84.4Confident86.7Confident66 Ų6680.8 Ų80.843%0.42942%0.423SS..PPolyproline II helixtrans-58.2132.2175-23.734000111.5P194 D284P192-P194 WeakPolarHBondContact O-CD 3.37Å; P192-D284 WeakPolarHBondContact CA-OD1 3.44Å
193R86.7Confident86.7Confident64 Ų6484.8 Ų84.824%0.24243%0.428CS..PPolyproline II helixtrans-79.1118.9179.7-60.8-58.8-175-139.9-0.8110E188 Y191 Y283 D284 N287 R288E188-R193 PolarHBondContact O-NH1 3.34Å; E188-R193 PolarHBondContact O-NH2 2.9Å; Y191-R193 PolarHBondContact O-N 2.79Å; R193-Y283 HydrophobicContact CB-CD1 4.08Å; R193-Y283 HydrophobicContact CB-CE1 3.89Å; R193-D284 PolarHBondContact N-OD1 3.5Å; R193-N287 HydrophobicContact CG-CB 4.49Å; R193-R288 HydrophobicContact CG-CB 4.37Å
194P85Confident86.4Confident78 Ų7887.5 Ų87.551%0.50644%0.443SS..PPolyproline II helixtrans-67.915817130.7-33.9000109.8P192 Y283P192-P194 WeakPolarHBondContact O-CD 3.37Å; P194-Y283 VanDerWaalsContact O-CE1 3.22Å; P194-Y283 WeakPolarHBondContact O-CE1 3.38Å
195L87.2Confident86.2Confident42 Ų4289.4 Ų89.422%0.2246%0.455CS..PPolyproline II helixtrans-63144171.2-71.7167000109.3S197 A209 L276 Q280 Y283L195-S197 PolarHBondContact O-N 3.2Å; L195-A209 HydrophobicContact CD1-CB 4.15Å; L195-L276 HydrophobicContact CD1-CD1 3.5Å; L195-L276 HydrophobicContact CD1-CG 4.13Å; L195-Q280 HydrophobicContact CD1-CB 3.95Å; L195-Q280 HydrophobicContact CG-CB 4Å; L195-Q280 HydrophobicContact CG-CG 4.27Å; L195-Y283 HydrophobicContact CD2-CD1 4.46Å; L195-Y283 HydrophobicContact CD2-CG 4.08Å
196P87.6Confident86.2Confident91 Ų9189.4 Ų89.459%0.59146%0.458SS*.PPolyproline II helixtrans-60.6137.5176.426.3-33.8000110.1
197S89.3Confident86.3Confident68 Ų6891.5 Ų91.548%0.47647%0.472SS..  trans-129137.7171.457.80000108.5L195 C207L195-S197 PolarHBondContact O-N 3.2Å; S197-C207 VanDerWaalsContact CA-O 3.31Å; S197-C207 WeakPolarHBondContact CA-O 3.18Å
198D87.9Confident86.6Confident112 Ų11283 Ų8360%0.59944%0.437SS*.EExtended strand (participates in β ladder)trans-128149.6-177.7-165.615.4000111C207D198-C207 PolarHBondContact N-O 2.95Å; D198-C207 WeakPolarHBondContact O-CA 3.37Å; D198-C207 WeakPolarHBondContact O-CB 3.32Å; D198-C207 PolarHBondContact O-N 2.82Å
199W89.2Confident86.9Confident143 Ų14380.4 Ų80.454%0.54243%0.432SS..EExtended strand (participates in β ladder)trans-92.3111.3176.4-74.191.7000109.4K203 C205 L206W199-K203 HydrophobicContact CB-CB 4.39Å; W199-K203 HydrophobicContact CB-CG 4.49Å; W199-C205 CarbonylContact C-O 3.53Å; W199-C205 WeakPolarHBondContact CA-O 3.45Å; W199-L206 HydrophobicContact CD2-CB 4.27Å; W199-L206 HydrophobicContact CD2-CD1 4.03Å; W199-L206 HydrophobicContact CE3-CB 4.09Å; W199-L206 HydrophobicContact CG-CD1 4.23Å; W199-L206 HydrophobicContact CH2-CB 4.14Å; W199-L206 HydrophobicContact CZ2-CB 4.29Å; W199-L206 HydrophobicContact CZ2-CD1 4.17Å; W199-L206 HydrophobicContact CZ3-CB 4.03Å
200I88Confident87.1Confident77 Ų7783 Ų8340%0.39544%0.444SS..EExtended strand (participates in β ladder)trans-100.6169.2177.565.1172.9000110.6Q204 C205 C207I200-Q204 PolarHBondContact O-N 2.97Å; I200-C205 HydrophobicContact CD1-CB 4.46Å; I200-C205 HydrophobicContact CG1-CB 3.73Å; I200-C205 WeakPolarHBondContact CG1-O 3.38Å; I200-C205 PolarHBondContact N-O 2.94Å; I200-C205 PolarHBondContact O-N 2.96Å; I200-C207 HydrophobicContact CD1-CB 3.98Å; I200-C207 HydrophobicContact CG1-CB 4.11Å; I200-C207 HydrophobicContact CG2-CB 4.03Å
201C86.7Confident87.3Confident76 Ų7683.1 Ų83.151%0.51444%0.442SS..THydrogen-bonded Turntrans58.262.9178.2-55.40000113.2K203 Q204 C205C201-K203 PolarHBondContact O-N 3.4Å; C201-K203 VanDerWaalsContact O-N 3.11Å; C201-Q204 VanDerWaalsContact O-CB 3.25Å; C201-Q204 WeakPolarHBondContact O-CB 3.25Å; C201-Q204 WeakPolarHBondContact O-CG 3.41Å; C201-Q204 PolarHBondContact O-N 2.93Å; C201-C205 HydrophobicContact CB-CB 4.28Å
202D84.2Confident87.6Confident160 Ų16080.4 Ų80.486%0.85644%0.441SS*.THydrogen-bonded Turntrans52.936.5179.2-62.7-48.4000113.9Q204D202-Q204 VanDerWaalsContact C-N 3.31Å; D202-Q204 PolarHBondContact O-N 2.83Å
203K83.7Confident88Confident126 Ų12678.5 Ų78.555%0.54843%0.427SS..THydrogen-bonded Turntrans66.723.1-177.2-47.5-178.7178.9-168.20115.5W199 C201W199-K203 HydrophobicContact CB-CB 4.39Å; W199-K203 HydrophobicContact CB-CG 4.49Å; C201-K203 PolarHBondContact O-N 3.4Å; C201-K203 VanDerWaalsContact O-N 3.11Å
204Q83.9Confident88.2Confident157 Ų15776 Ų7673%0.73442%0.418SS*.THydrogen-bonded Turntrans-89.9-27.3176.8-62.8-179.5-20.500112.8I200 C201 D202I200-Q204 PolarHBondContact O-N 2.97Å; C201-Q204 VanDerWaalsContact O-CB 3.25Å; C201-Q204 WeakPolarHBondContact O-CB 3.25Å; C201-Q204 WeakPolarHBondContact O-CG 3.41Å; C201-Q204 PolarHBondContact O-N 2.93Å; D202-Q204 VanDerWaalsContact C-N 3.31Å; D202-Q204 PolarHBondContact O-N 2.83Å
205C84.3Confident88.5Confident58 Ų5880.1 Ų80.139%0.39243%0.425SS..EExtended strand (participates in β ladder)trans-121.9118.4-172.8-66.30000110.8W199 I200 C201 C207W199-C205 CarbonylContact C-O 3.53Å; W199-C205 WeakPolarHBondContact CA-O 3.45Å; I200-C205 HydrophobicContact CD1-CB 4.46Å; I200-C205 HydrophobicContact CG1-CB 3.73Å; I200-C205 WeakPolarHBondContact CG1-O 3.38Å; I200-C205 PolarHBondContact N-O 2.94Å; I200-C205 PolarHBondContact O-N 2.96Å; C201-C205 HydrophobicContact CB-CB 4.28Å; C205-C207 PolarHBondContact O-N 3.25Å
206L88.6Confident88.7Confident60 Ų6080.9 Ų80.931%0.31444%0.443SS..EExtended strand (participates in β ladder)trans-79.5108.9171.3-178.868.8000109.9W199 S208 N211W199-L206 HydrophobicContact CD2-CB 4.27Å; W199-L206 HydrophobicContact CD2-CD1 4.03Å; W199-L206 HydrophobicContact CE3-CB 4.09Å; W199-L206 HydrophobicContact CG-CD1 4.23Å; W199-L206 HydrophobicContact CH2-CB 4.14Å; W199-L206 HydrophobicContact CZ2-CB 4.29Å; W199-L206 HydrophobicContact CZ2-CD1 4.17Å; W199-L206 HydrophobicContact CZ3-CB 4.03Å; L206-S208 PolarHBondContact O-N 2.95Å; L206-N211 PolarHBondContact O-ND2 3.06Å
207C88.4Confident88.9Confident54 Ų5476.9 Ų76.937%0.36542%0.417SS..EExtended strand (participates in β ladder)trans-84.392.1169.8-167.60000109.1S197 D198 I200 C205S197-C207 VanDerWaalsContact CA-O 3.31Å; S197-C207 WeakPolarHBondContact CA-O 3.18Å; D198-C207 PolarHBondContact N-O 2.95Å; D198-C207 WeakPolarHBondContact O-CA 3.37Å; D198-C207 WeakPolarHBondContact O-CB 3.32Å; D198-C207 PolarHBondContact O-N 2.82Å; I200-C207 HydrophobicContact CD1-CB 3.98Å; I200-C207 HydrophobicContact CG1-CB 4.11Å; I200-C207 HydrophobicContact CG2-CB 4.03Å; C205-C207 PolarHBondContact O-N 3.25Å
208S90.9Very high89.1Confident19 Ų1974.9 Ų74.913%0.13340%0.403CS..  trans-113.4149.516876.40000109.2L206 Q210 N211 V212L206-S208 PolarHBondContact O-N 2.95Å; S208-Q210 PolarHBondContact O-N 3.06Å; S208-Q210 VanDerWaalsContact O-N 3.16Å; S208-N211 PolarHBondContact O-N 3.13Å; S208-N211 WeakPolarHBondContact OG-CB 3.33Å; S208-N211 PolarHBondContact OG-N 3.37Å; S208-N211 PolarHBondContact OG-OD1 2.79Å; S208-V212 PolarHBondContact O-N 3.31Å
209A91.4Very high89.3Confident39 Ų3969.8 Ų69.832%0.32238%0.375SS..Hα-helixtrans-59.4-27.3175.700000112.2L195 I213 L276L195-A209 HydrophobicContact CD1-CB 4.15Å; A209-I213 WeakPolarHBondContact O-CG1 3.31Å; A209-I213 PolarHBondContact O-N 3.33Å; A209-L276 HydrophobicContact CB-CD1 3.37Å
210Q90.6Very high89.3Confident62 Ų6265.1 Ų65.129%0.2936%0.364SS..Hα-helixtrans-67-45.8172.2-172.461.158.500111.7S208 V212 I213 D214 L276S208-Q210 PolarHBondContact O-N 3.06Å; S208-Q210 VanDerWaalsContact O-N 3.16Å; Q210-V212 PolarHBondContact O-N 2.73Å; Q210-I213 PolarHBondContact O-N 2.96Å; Q210-D214 PolarHBondContact NE2-OD1 3.48Å; Q210-D214 PolarHBondContact O-N 2.87Å; Q210-L276 HydrophobicContact CB-CD2 4.48Å
211N89.9Confident89.5Confident45 Ų4564.1 Ų64.124%0.24136%0.364CS..Hα-helixtrans-63.3-42.8178.7-72.90.9000111.3L206 S208 I213 D214 Y215L206-N211 PolarHBondContact O-ND2 3.06Å; S208-N211 PolarHBondContact O-N 3.13Å; S208-N211 WeakPolarHBondContact OG-CB 3.33Å; S208-N211 PolarHBondContact OG-N 3.37Å; S208-N211 PolarHBondContact OG-OD1 2.79Å; N211-I213 VanDerWaalsContact C-N 3.25Å; N211-I213 PolarHBondContact O-N 2.74Å; N211-D214 PolarHBondContact O-N 2.66Å; N211-D214 VanDerWaalsContact O-N 3.15Å; N211-Y215 HydrophobicContact CB-CD2 4.25Å; N211-Y215 HydrophobicContact CB-CE2 4.12Å; N211-Y215 WeakPolarHBondContact O-CD2 3.4Å; N211-Y215 PolarHBondContact O-N 2.61Å
212V91.5Very high89.6Confident92 Ų9260.7 Ų60.756%0.55834%0.34SS*.Hα-helixtrans-56.9-42.2176.7174.90000111.2S208 Q210 G216S208-V212 PolarHBondContact O-N 3.31Å; Q210-V212 PolarHBondContact O-N 2.73Å; V212-G216 WeakPolarHBondContact O-CA 2.88Å; V212-G216 PolarHBondContact O-N 2.83Å
213I92.9Very high89.9Confident25 Ų2556.1 Ų56.113%0.12831%0.313CS..Hα-helixtrans-68.6-45.7176.3-69.7170.6000110.8A209 Q210 N211 Y215 G216 T217 Y269 A272 L276A209-I213 WeakPolarHBondContact O-CG1 3.31Å; A209-I213 PolarHBondContact O-N 3.33Å; Q210-I213 PolarHBondContact O-N 2.96Å; N211-I213 VanDerWaalsContact C-N 3.25Å; N211-I213 PolarHBondContact O-N 2.74Å; I213-Y215 VanDerWaalsContact C-N 3.33Å; I213-Y215 PolarHBondContact O-N 2.81Å; I213-G216 PolarHBondContact O-N 3.04Å; I213-T217 HydrophobicContact CG2-CG2 4.13Å; I213-T217 WeakPolarHBondContact O-CB 2.99Å; I213-T217 WeakPolarHBondContact O-CG2 3.49Å; I213-T217 PolarHBondContact O-N 3.32Å; I213-T217 PolarHBondContact O-OG1 2.89Å; I213-Y269 HydrophobicContact CG2-CD2 3.65Å; I213-Y269 HydrophobicContact CG2-CE2 3.86Å; I213-A272 HydrophobicContact CD1-CB 4.25Å; I213-A272 HydrophobicContact CG1-CB 4.2Å; I213-A272 HydrophobicContact CG2-CB 3.95Å; I213-L276 HydrophobicContact CD1-CB 3.61Å; I213-L276 HydrophobicContact CD1-CD1 3.88Å; I213-L276 HydrophobicContact CD1-CD2 4.06Å; I213-L276 HydrophobicContact CD1-CG 4.05Å
214D91.2Very high90.1Very high11 Ų1151.6 Ų51.66%0.05930%0.301CS..Hα-helixtrans-61.1-41.9-177.5-76.88.7000112.1Q210 N211 C218 V219 C220 K223Q210-D214 PolarHBondContact NE2-OD1 3.48Å; Q210-D214 PolarHBondContact O-N 2.87Å; N211-D214 PolarHBondContact O-N 2.66Å; N211-D214 VanDerWaalsContact O-N 3.15Å; D214-C218 PolarHBondContact O-N 3.38Å; D214-V219 PolarHBondContact O-N 3.45Å; D214-C220 PolarHBondContact O-N 3.3Å; D214-K223 IonicContact OD2-NZ 3.82Å; D214-K223 PolarHBondContact OD2-NZ 2.79Å
215Y91.1Very high90.3Very high165 Ų16547 Ų4765%0.64728%0.282SS*.Hα-helixtrans-74.1-42.1174.8-68.8-64.6000112.2N211 I213 T217 C218 C220N211-Y215 HydrophobicContact CB-CD2 4.25Å; N211-Y215 HydrophobicContact CB-CE2 4.12Å; N211-Y215 WeakPolarHBondContact O-CD2 3.4Å; N211-Y215 PolarHBondContact O-N 2.61Å; I213-Y215 VanDerWaalsContact C-N 3.33Å; I213-Y215 PolarHBondContact O-N 2.81Å; Y215-T217 VanDerWaalsContact C-N 3.31Å; Y215-T217 PolarHBondContact O-N 3.41Å; Y215-C218 PolarHBondContact O-N 3Å; Y215-C220 HydrophobicContact CD1-CB 4.15Å; Y215-C220 HydrophobicContact CE1-CB 4.27Å
216G91.4Very high90.4Very high58 Ų5845 Ų4560%0.59827%0.266SS*.Hα-helixtrans-70.1-24.9-17800000114.4V212 I213V212-G216 WeakPolarHBondContact O-CA 2.88Å; V212-G216 PolarHBondContact O-N 2.83Å; I213-G216 PolarHBondContact O-N 3.04Å
217T92.9Very high90.2Very high8 Ų850.1 Ų50.15%0.04928%0.283CS..THydrogen-bonded Turntrans-105.37.2-178.6630000113I213 Y215 V219 C265 L266 C268 Y269 A272I213-T217 HydrophobicContact CG2-CG2 4.13Å; I213-T217 WeakPolarHBondContact O-CB 2.99Å; I213-T217 WeakPolarHBondContact O-CG2 3.49Å; I213-T217 PolarHBondContact O-N 3.32Å; I213-T217 PolarHBondContact O-OG1 2.89Å; Y215-T217 VanDerWaalsContact C-N 3.31Å; Y215-T217 PolarHBondContact O-N 3.41Å; T217-V219 PolarHBondContact O-N 3.37Å; T217-V219 WeakPolarHBondContact OG1-CG2 3.14Å; T217-C265 WeakPolarHBondContact CB-O 3.32Å; T217-C265 CarbonylContact O-C 3.56Å; T217-L266 WeakPolarHBondContact O-CA 2.96Å; T217-L266 WeakPolarHBondContact O-CD2 3.44Å; T217-L266 PolarHBondContact O-N 3.34Å; T217-C268 HydrophobicContact CG2-CB 4.32Å; T217-Y269 VanDerWaalsContact OG1-CD2 3.31Å; T217-Y269 WeakPolarHBondContact OG1-CD2 3.02Å; T217-A272 HydrophobicContact CG2-CB 4.3Å
218C92.4Very high90Very high26 Ų2655 Ų5518%0.17630%0.3CS..THydrogen-bonded Turntrans6120-179.7-39.20000114.3D214 Y215 C220 C221 L263 C265D214-C218 PolarHBondContact O-N 3.38Å; Y215-C218 PolarHBondContact O-N 3Å; C218-C220 PolarHBondContact O-N 3.09Å; C218-C221 VanDerWaalsContact O-CB 3.32Å; C218-C221 WeakPolarHBondContact O-CB 3.12Å; C218-C221 PolarHBondContact O-N 3.34Å; C218-L263 HydrophobicContact CB-CB 4.44Å; C218-L263 HydrophobicContact CB-CD1 4.03Å; C218-L263 HydrophobicContact CB-CD2 4.18Å; C218-L263 HydrophobicContact CB-CG 4.46Å; C218-C265 HydrophobicContact CB-CB 4.25Å; C218-C265 WeakPolarHBondContact CB-SG 3.32Å; C218-C265 WeakPolarHBondContact SG-CB 3.36Å; C218-C265 CovalentContact SG-SG 2.06Å; C218-C265 PolarHBondContact SG-SG 3.44Å
219V91.6Very high89.3Confident4 Ų458.5 Ų58.52%0.02432%0.323CS..Hα-helixtrans-64.2-27.8174.1167.70000111.1D214 T217 C221 V222 K223 P241 L266 Y269D214-V219 PolarHBondContact O-N 3.45Å; T217-V219 PolarHBondContact O-N 3.37Å; T217-V219 WeakPolarHBondContact OG1-CG2 3.14Å; V219-C221 PolarHBondContact O-N 3.02Å; V219-V222 WeakPolarHBondContact O-CB 2.93Å; V219-V222 PolarHBondContact O-N 2.84Å; V219-K223 HydrophobicContact CG1-CD 4.49Å; V219-K223 HydrophobicContact CG1-CG 4.28Å; V219-K223 WeakPolarHBondContact O-CG 3.45Å; V219-K223 PolarHBondContact O-N 2.92Å; V219-P241 HydrophobicContact CG1-CG 4.43Å; V219-L266 HydrophobicContact CG2-CD2 3.71Å; V219-Y269 HydrophobicContact CB-CD2 4.43Å; V219-Y269 HydrophobicContact CB-CE2 4.39Å; V219-Y269 HydrophobicContact CG1-CE2 4.46Å; V219-Y269 HydrophobicContact CG2-CD1 3.99Å; V219-Y269 HydrophobicContact CG2-CD2 3.42Å; V219-Y269 VanDerWaalsContact CG2-CD2 3.42Å; V219-Y269 HydrophobicContact CG2-CE1 4.26Å; V219-Y269 HydrophobicContact CG2-CE2 3.71Å; V219-Y269 HydrophobicContact CG2-CG 3.54Å
220C90.4Very high88.4Confident46 Ų4658.7 Ų58.731%0.31132%0.322SS..Hα-helixtrans-53.2-36.2169.757.80000112.9D214 Y215 C218 K223 G224D214-C220 PolarHBondContact O-N 3.3Å; Y215-C220 HydrophobicContact CD1-CB 4.15Å; Y215-C220 HydrophobicContact CE1-CB 4.27Å; C218-C220 PolarHBondContact O-N 3.09Å; C220-K223 PolarHBondContact O-N 3.28Å; C220-G224 PolarHBondContact O-N 2.89Å
221C90.8Very high87.2Confident56 Ų5662.3 Ų62.338%0.37834%0.343SS..Hα-helixtrans-67.9-38176.1-57.10000111.9C218 V219 G224 L225 L263C218-C221 VanDerWaalsContact O-CB 3.32Å; C218-C221 WeakPolarHBondContact O-CB 3.12Å; C218-C221 PolarHBondContact O-N 3.34Å; V219-C221 PolarHBondContact O-N 3.02Å; C221-G224 PolarHBondContact O-N 2.7Å; C221-L225 WeakPolarHBondContact O-CB 3.22Å; C221-L225 PolarHBondContact O-N 3.24Å; C221-L263 HydrophobicContact CB-CD1 3.76Å
222V90Very high85.9Confident4 Ų467.7 Ų67.72%0.02437%0.372CS..Hα-helixtrans-66.8-43.5175.7177.50000110.5V219 G224 L225 F226 P241 M256 L266V219-V222 WeakPolarHBondContact O-CB 2.93Å; V219-V222 PolarHBondContact O-N 2.84Å; V222-G224 VanDerWaalsContact C-N 3.34Å; V222-G224 PolarHBondContact O-N 3.02Å; V222-L225 PolarHBondContact O-N 3.48Å; V222-F226 HydrophobicContact CG1-CD2 3.65Å; V222-F226 HydrophobicContact CG1-CE2 3.43Å; V222-F226 VanDerWaalsContact CG1-CE2 3.43Å; V222-F226 HydrophobicContact CG1-CZ 4.47Å; V222-F226 VanDerWaalsContact O-CD2 3.32Å; V222-F226 WeakPolarHBondContact O-CD2 3.29Å; V222-F226 PolarHBondContact O-N 2.89Å; V222-P241 HydrophobicContact CG1-CB 3.83Å; V222-M256 HydrophobicContact CG1-CG 3.86Å; V222-M256 HydrophobicContact CG1-SD 4.31Å; V222-L266 HydrophobicContact CG2-CD1 3.77Å; V222-L266 HydrophobicContact CG2-CD2 3.69Å; V222-L266 HydrophobicContact CG2-CG 4.4Å
223K89.2Confident84.4Confident64 Ų6469.5 Ų69.528%0.27838%0.379SS..Hα-helixtrans-59.3-44.9173.7-66.3-175.9168.6175.40111.1D214 V219 C220 F226 Y227 A238 P241D214-K223 IonicContact OD2-NZ 3.82Å; D214-K223 PolarHBondContact OD2-NZ 2.79Å; V219-K223 HydrophobicContact CG1-CD 4.49Å; V219-K223 HydrophobicContact CG1-CG 4.28Å; V219-K223 WeakPolarHBondContact O-CG 3.45Å; V219-K223 PolarHBondContact O-N 2.92Å; C220-K223 PolarHBondContact O-N 3.28Å; K223-F226 PolarHBondContact O-N 2.82Å; K223-Y227 VanDerWaalsContact O-CB 3.29Å; K223-Y227 WeakPolarHBondContact O-CB 3.42Å; K223-Y227 PolarHBondContact O-N 3.3Å; K223-A238 WeakPolarHBondContact CG-O 3.24Å; K223-P241 HydrophobicContact CG-CG 4.26Å
224G88.8Confident82.6Confident30 Ų3075.7 Ų75.731%0.30941%0.407SS..Hα-helixtrans-64.3-41.4176.600000113.6C220 C221 V222 Y227 H228C220-G224 PolarHBondContact O-N 2.89Å; C221-G224 PolarHBondContact O-N 2.7Å; V222-G224 VanDerWaalsContact C-N 3.34Å; V222-G224 PolarHBondContact O-N 3.02Å; G224-Y227 WeakPolarHBondContact O-CB 3.31Å; G224-Y227 PolarHBondContact O-N 2.87Å; G224-H228 PolarHBondContact O-CD2 2.88Å; G224-H228 PolarHBondContact O-N 3.32Å
225L87.2Confident81.2Confident61 Ų6177 Ų7732%0.31941%0.414SS..Hα-helixtrans-62.7-47.9175179.564.7000110.8C221 V222 Y227 H228 C229 M259C221-L225 WeakPolarHBondContact O-CB 3.22Å; C221-L225 PolarHBondContact O-N 3.24Å; V222-L225 PolarHBondContact O-N 3.48Å; L225-Y227 VanDerWaalsContact C-N 3.29Å; L225-Y227 PolarHBondContact O-N 2.79Å; L225-H228 PolarHBondContact O-N 3.4Å; L225-H228 VanDerWaalsContact O-N 3.16Å; L225-C229 WeakPolarHBondContact O-CB 3.38Å; L225-C229 PolarHBondContact O-N 3.2Å; L225-C229 PolarHBondContact O-SG 3.49Å; L225-M259 HydrophobicContact CD2-CE 4.31Å; L225-M259 HydrophobicContact CD2-CG 3.79Å; L225-M259 HydrophobicContact CD2-SD 3.82Å
226F86.6Confident80Confident16 Ų1673.6 Ų73.67%0.0741%0.407CS..Hα-helixtrans-66.5-31.5176.7-73.9-47.4000112.8V222 K223 H228 C229 S230 C237 P241 R252 A255 M256V222-F226 HydrophobicContact CG1-CD2 3.65Å; V222-F226 HydrophobicContact CG1-CE2 3.43Å; V222-F226 VanDerWaalsContact CG1-CE2 3.43Å; V222-F226 HydrophobicContact CG1-CZ 4.47Å; V222-F226 VanDerWaalsContact O-CD2 3.32Å; V222-F226 WeakPolarHBondContact O-CD2 3.29Å; V222-F226 PolarHBondContact O-N 2.89Å; K223-F226 PolarHBondContact O-N 2.82Å; F226-H228 VanDerWaalsContact C-N 3.31Å; F226-H228 PolarHBondContact O-N 3.16Å; F226-C229 PolarHBondContact O-N 2.78Å; F226-S230 WeakPolarHBondContact O-CB 2.92Å; F226-S230 PolarHBondContact O-N 2.87Å; F226-C237 WeakPolarHBondContact CD1-SG 3.38Å; F226-C237 WeakPolarHBondContact CG-SG 3.04Å; F226-P241 HydrophobicContact CD2-CB 3.79Å; F226-P241 HydrophobicContact CE2-CB 3.77Å; F226-R252 HydrophobicContact CE1-CB 4.37Å; F226-R252 HydrophobicContact CE1-CG 4.12Å; F226-R252 HydrophobicContact CZ-CB 3.99Å; F226-R252 HydrophobicContact CZ-CG 4.18Å; F226-A255 HydrophobicContact CE1-CB 4.32Å; F226-A255 HydrophobicContact CZ-CB 4.38Å; F226-M256 HydrophobicContact CE2-CG 3.96Å; F226-M256 HydrophobicContact CE2-SD 4.33Å; F226-M256 HydrophobicContact CZ-CG 4.07Å
227Y84.5Confident78.8Confident167 Ų16771.3 Ų71.366%0.65538%0.382SS*.Hα-helixtrans-62.4-38.7171.7-179.8-101.2000111.8K223 G224 L225K223-Y227 VanDerWaalsContact O-CB 3.29Å; K223-Y227 WeakPolarHBondContact O-CB 3.42Å; K223-Y227 PolarHBondContact O-N 3.3Å; G224-Y227 WeakPolarHBondContact O-CB 3.31Å; G224-Y227 PolarHBondContact O-N 2.87Å; L225-Y227 VanDerWaalsContact C-N 3.29Å; L225-Y227 PolarHBondContact O-N 2.79Å
228H84.9Confident77.8Confident158 Ų15871.8 Ų71.873%0.73139%0.387SS*.Hα-helixtrans-80.8-26.5175.9-75.4-60.3000114.5G224 L225 F226G224-H228 PolarHBondContact O-CD2 2.88Å; G224-H228 PolarHBondContact O-N 3.32Å; L225-H228 PolarHBondContact O-N 3.4Å; L225-H228 VanDerWaalsContact O-N 3.16Å; F226-H228 VanDerWaalsContact C-N 3.31Å; F226-H228 PolarHBondContact O-N 3.16Å
229C76.9Confident77Confident91 Ų9174.6 Ų74.662%0.61540%0.4SS*.Hα-helixtrans-90.8-19.5179.7-670000113.4L225 F226 N231L225-C229 WeakPolarHBondContact O-CB 3.38Å; L225-C229 PolarHBondContact O-N 3.2Å; L225-C229 PolarHBondContact O-SG 3.49Å; F226-C229 PolarHBondContact O-N 2.78Å; C229-N231 PolarHBondContact O-N 3.2Å
230S72.4Confident76.2Confident43 Ų4379.1 Ų79.130%0.30142%0.424SS..SBendtrans-74.9115.9173.3-164.80000108.1F226 D235F226-S230 WeakPolarHBondContact O-CB 2.92Å; F226-S230 PolarHBondContact O-N 2.87Å; S230-D235 PolarHBondContact OG-O 3.45Å
231N63.7Low75.3Confident138 Ų13877.2 Ų77.274%0.73841%0.411SS*.  trans-67.6145159.5-136.16.6000107.1C229 D233C229-N231 PolarHBondContact O-N 3.2Å; N231-D233 PolarHBondContact O-N 2.92Å
232D63.8Low74.5Confident158 Ų15876.4 Ų76.485%0.84541%0.406SS*.THydrogen-bonded Turntrans-53.5-14-167.3-16131.6000114.9
233D58.8Low73.7Confident131 Ų13178.2 Ų78.270%0.70142%0.418SS*.THydrogen-bonded Turntrans-101.6-17.9-162.1-67.8-60.1000117.5N231N231-D233 PolarHBondContact O-N 2.92Å
234E56.8Low72.8Confident154 Ų15479.2 Ų79.272%0.7243%0.432SS*.THydrogen-bonded Turntrans-120.2-29.6-164.3-74.7-71.2116.100118.1
235D60.6Low71.8Confident39 Ų3983 Ų8321%0.20946%0.455CS..  trans-150.3128.2-170.4-69.2-42.4000112.1S230 C237 Q246 H248S230-D235 PolarHBondContact OG-O 3.45Å; D235-C237 HydrophobicContact CB-CB 3.94Å; D235-C237 PolarHBondContact O-N 3.27Å; D235-Q246 VanDerWaalsContact CB-CD 3.46Å; D235-Q246 HydrophobicContact CB-CG 4.33Å; D235-Q246 WeakPolarHBondContact OD1-CG 3.35Å; D235-Q246 PolarHBondContact OD1-NE2 3.15Å; D235-H248 IonicContact OD2-CD2 3.86Å
236N67.1Low70.9Confident94 Ų9482.4 Ų82.450%0.50345%0.45SS..  trans-69.751.8164.2-166.513.6000111.5A238 D239N236-A238 VanDerWaalsContact C-N 3.33Å; N236-D239 VanDerWaalsContact CG-OD2 3.26Å; N236-D239 PolarHBondContact ND2-OD2 3.31Å; N236-D239 WeakPolarHBondContact OD1-CB 3.48Å; N236-D239 PolarHBondContact OD1-OD2 3.04Å
237C65.2Low70Confident9 Ų986.3 Ų86.36%0.06148%0.479CS..THydrogen-bonded Turntrans-73.3-30-173.9173.60000111.2F226 D235 N240 P241 R252F226-C237 WeakPolarHBondContact CD1-SG 3.38Å; F226-C237 WeakPolarHBondContact CG-SG 3.04Å; D235-C237 HydrophobicContact CB-CB 3.94Å; D235-C237 PolarHBondContact O-N 3.27Å; C237-N240 CarbonylContact O-C 3.58Å; C237-P241 WeakPolarHBondContact O-CA 3.45Å; C237-R252 VanDerWaalsContact CA-NH2 3.28Å; C237-R252 PolarHBondContact O-NH2 2.79Å; C237-R252 PolarHBondContact SG-NE 3.4Å; C237-R252 PolarHBondContact SG-NH2 2.6Å
238A72.9Confident69.4Low19 Ų1983.2 Ų83.216%0.15747%0.47CS..THydrogen-bonded Turntrans-67.3-42-179.100000112.2K223 N236K223-A238 WeakPolarHBondContact CG-O 3.24Å; N236-A238 VanDerWaalsContact C-N 3.33Å
239D74.7Confident69Low85 Ų8577.1 Ų77.146%0.45545%0.445SS..THydrogen-bonded Turntrans-73.3-38.2-177-70.3-20.7000112.2N236 P241N236-D239 VanDerWaalsContact CG-OD2 3.26Å; N236-D239 PolarHBondContact ND2-OD2 3.31Å; N236-D239 WeakPolarHBondContact OD1-CB 3.48Å; N236-D239 PolarHBondContact OD1-OD2 3.04Å; D239-P241 VanDerWaalsContact C-CD 3.46Å; D239-P241 WeakPolarHBondContact O-CD 3.03Å
240N74.8Confident69.2Low99 Ų9978 Ų7853%0.52945%0.451SS..  trans-123.767.5-175.2-69.3-76.2000111.5C237 C242 S243 R252C237-N240 CarbonylContact O-C 3.58Å; N240-C242 PolarHBondContact O-N 3.34Å; N240-C242 VanDerWaalsContact O-N 3.11Å; N240-S243 PolarHBondContact O-N 3.41Å; N240-S243 VanDerWaalsContact O-N 3.16Å; N240-R252 PolarHBondContact O-NH2 2.69Å
241P72.5Confident69.8Low5 Ų580.2 Ų80.23%0.03246%0.463CS..THydrogen-bonded Turntrans-57.6-31.6-175.222.7-33.7000112.7V219 V222 K223 F226 C237 D239 R252 M256V219-P241 HydrophobicContact CG1-CG 4.43Å; V222-P241 HydrophobicContact CG1-CB 3.83Å; K223-P241 HydrophobicContact CG-CG 4.26Å; F226-P241 HydrophobicContact CD2-CB 3.79Å; F226-P241 HydrophobicContact CE2-CB 3.77Å; C237-P241 WeakPolarHBondContact O-CA 3.45Å; D239-P241 VanDerWaalsContact C-CD 3.46Å; D239-P241 WeakPolarHBondContact O-CD 3.03Å; P241-R252 VanDerWaalsContact CA-NH2 3.29Å; P241-R252 PolarHBondContact O-NH2 3.49Å; P241-M256 HydrophobicContact CB-SD 4.25Å; P241-M256 WeakPolarHBondContact O-CE 3.37Å
242C72.8Confident70.8Confident40 Ų4074 Ų7427%0.2743%0.43SS..THydrogen-bonded Turntrans-95.314.1-175.7-48.50000114.8N240 W253N240-C242 PolarHBondContact O-N 3.34Å; N240-C242 VanDerWaalsContact O-N 3.11Å; C242-W253 HydrophobicContact CB-CH2 4.46Å
243S73.5Confident71.9Confident41 Ų4171.9 Ų71.929%0.28741%0.41SS..  trans-77.4135.5178.3-1710000111.8N240 S245N240-S243 PolarHBondContact O-N 3.41Å; N240-S243 VanDerWaalsContact O-N 3.16Å; S243-S245 PolarHBondContact OG-OG 2.81Å; S243-S245 VanDerWaalsContact OG-OG 3.11Å
244C71Confident73.3Confident85 Ų8568.9 Ų68.957%0.57440%0.399SS*.SBendtrans-90.4-3.8177.9-63.80000114.3Q246C244-Q246 PolarHBondContact O-N 3.43Å
245S67.4Low74.8Confident111 Ų11163 Ų6378%0.77638%0.377SS*.  trans-84.9-1.2-167.761.20000115.4S243S243-S245 PolarHBondContact OG-OG 2.81Å; S243-S245 VanDerWaalsContact OG-OG 3.11Å
246Q67.6Low76.1Confident47 Ų4762.2 Ų62.222%0.2237%0.372CS..SBendtrans-105.2149.8-169.6-152.5147.835.600111.8D235 C244 H248 C249D235-Q246 VanDerWaalsContact CB-CD 3.46Å; D235-Q246 HydrophobicContact CB-CG 4.33Å; D235-Q246 WeakPolarHBondContact OD1-CG 3.35Å; D235-Q246 PolarHBondContact OD1-NE2 3.15Å; C244-Q246 PolarHBondContact O-N 3.43Å; Q246-H248 PolarHBondContact O-N 2.82Å; Q246-C249 WeakPolarHBondContact O-CB 3.15Å; Q246-C249 PolarHBondContact O-N 3.3Å
247S67.7Low77.1Confident98 Ų9859.4 Ų59.469%0.68537%0.365SS*.THydrogen-bonded Turntrans-53.4-26.1-175.6470000114.2
248H71.8Confident78.4Confident102 Ų10262.8 Ų62.847%0.47239%0.386SS..THydrogen-bonded Turntrans-102.926.5-179.6-61.8-67.9000114.7D235 Q246 C250 T251 R252D235-H248 IonicContact OD2-CD2 3.86Å; Q246-H248 PolarHBondContact O-N 2.82Å; H248-C250 PolarHBondContact O-N 3.49Å; H248-T251 PolarHBondContact O-N 3.16Å; H248-R252 WeakPolarHBondContact O-CG 3.43Å; H248-R252 PolarHBondContact O-N 3.4Å
249C76.9Confident79.1Confident30 Ų3063.9 Ų63.920%0.20339%0.388CS..Hα-helixtrans-47.5-55.6-178.7-1740000112.6Q246 T251 R252 W253Q246-C249 WeakPolarHBondContact O-CB 3.15Å; Q246-C249 PolarHBondContact O-N 3.3Å; C249-T251 PolarHBondContact O-N 3.21Å; C249-R252 PolarHBondContact O-N 2.98Å; C249-W253 PolarHBondContact O-N 2.72Å; C249-W253 PolarHBondContact SG-NE1 3.11Å
250C81.3Confident79.9Confident109 Ų10960.8 Ų60.874%0.73637%0.373SS*.Hα-helixtrans-58.1-44.9-177.8-65.60000113H248 R252 W253 S254H248-C250 PolarHBondContact O-N 3.49Å; C250-R252 VanDerWaalsContact C-N 3.34Å; C250-R252 PolarHBondContact O-N 2.86Å; C250-W253 PolarHBondContact O-N 2.89Å; C250-S254 PolarHBondContact O-N 3.43Å; C250-S254 PolarHBondContact O-OG 3.42Å
251T84Confident80.6Confident90 Ų9062.2 Ų62.255%0.55238%0.38SS*.Hα-helixtrans-62.8-41.7179.4-52.50000111.4H248 C249 S254 A255H248-T251 PolarHBondContact O-N 3.16Å; C249-T251 PolarHBondContact O-N 3.21Å; T251-S254 WeakPolarHBondContact CA-OG 3.45Å; T251-S254 PolarHBondContact O-N 3.02Å; T251-S254 PolarHBondContact O-OG 3.16Å; T251-A255 WeakPolarHBondContact O-CB 3.33Å; T251-A255 PolarHBondContact O-N 2.92Å
252R84.7Confident81.5Confident9 Ų969.4 Ų69.43%0.03441%0.411CS..Hα-helixtrans-65.8-44.7178-66.9174.367.6179.411.6111.7F226 C237 N240 P241 H248 C249 C250 S254 A255 M256F226-R252 HydrophobicContact CE1-CB 4.37Å; F226-R252 HydrophobicContact CE1-CG 4.12Å; F226-R252 HydrophobicContact CZ-CB 3.99Å; F226-R252 HydrophobicContact CZ-CG 4.18Å; C237-R252 VanDerWaalsContact CA-NH2 3.28Å; C237-R252 PolarHBondContact O-NH2 2.79Å; C237-R252 PolarHBondContact SG-NE 3.4Å; C237-R252 PolarHBondContact SG-NH2 2.6Å; N240-R252 PolarHBondContact O-NH2 2.69Å; P241-R252 VanDerWaalsContact CA-NH2 3.29Å; P241-R252 PolarHBondContact O-NH2 3.49Å; H248-R252 WeakPolarHBondContact O-CG 3.43Å; H248-R252 PolarHBondContact O-N 3.4Å; C249-R252 PolarHBondContact O-N 2.98Å; C250-R252 VanDerWaalsContact C-N 3.34Å; C250-R252 PolarHBondContact O-N 2.86Å; R252-S254 VanDerWaalsContact C-N 3.35Å; R252-A255 PolarHBondContact O-N 2.94Å; R252-M256 HydrophobicContact CB-CE 4.27Å; R252-M256 WeakPolarHBondContact O-CB 3.29Å; R252-M256 WeakPolarHBondContact O-CE 3.47Å; R252-M256 WeakPolarHBondContact O-CG 3.39Å; R252-M256 PolarHBondContact O-N 3.36Å
253W88Confident82.3Confident112 Ų11269.3 Ų69.342%0.42441%0.408SS..Hα-helixtrans-64.3-38174.7-73.8106.2000112.3C242 C249 C250 M256 G257C242-W253 HydrophobicContact CB-CH2 4.46Å; C249-W253 PolarHBondContact O-N 2.72Å; C249-W253 PolarHBondContact SG-NE1 3.11Å; C250-W253 PolarHBondContact O-N 2.89Å; W253-M256 HydrophobicContact CD2-CE 3.92Å; W253-M256 HydrophobicContact CE3-CE 4.02Å; W253-M256 HydrophobicContact CG-CE 4.25Å; W253-M256 HydrophobicContact CZ3-CE 4.5Å; W253-M256 PolarHBondContact O-N 3.28Å; W253-G257 PolarHBondContact O-N 3.42Å
254S87.6Confident83Confident69 Ų6971.9 Ų71.948%0.48342%0.423SS..Hα-helixtrans-66.1-42173.961.90000112.3C250 T251 R252 G257 V258C250-S254 PolarHBondContact O-N 3.43Å; C250-S254 PolarHBondContact O-OG 3.42Å; T251-S254 WeakPolarHBondContact CA-OG 3.45Å; T251-S254 PolarHBondContact O-N 3.02Å; T251-S254 PolarHBondContact O-OG 3.16Å; R252-S254 VanDerWaalsContact C-N 3.35Å; S254-G257 PolarHBondContact O-N 3.04Å; S254-V258 WeakPolarHBondContact O-CG2 3.32Å; S254-V258 PolarHBondContact O-N 2.95Å
255A87.8Confident84Confident31 Ų3169.2 Ų69.226%0.25641%0.405SS..Hα-helixtrans-63.7-44.4176.700000111.1F226 T251 R252 G257 V258 M259F226-A255 HydrophobicContact CE1-CB 4.32Å; F226-A255 HydrophobicContact CZ-CB 4.38Å; T251-A255 WeakPolarHBondContact O-CB 3.33Å; T251-A255 PolarHBondContact O-N 2.92Å; R252-A255 PolarHBondContact O-N 2.94Å; A255-G257 VanDerWaalsContact C-N 3.32Å; A255-G257 PolarHBondContact O-N 3.24Å; A255-V258 PolarHBondContact O-N 3.04Å; A255-M259 WeakPolarHBondContact O-CB 3.31Å; A255-M259 VanDerWaalsContact O-CG 3.28Å; A255-M259 WeakPolarHBondContact O-CG 3.5Å; A255-M259 PolarHBondContact O-N 3.32Å
256M88.1Confident85.1Confident21 Ų2164.9 Ų64.910%0.10337%0.373CS..Hα-helixtrans-61.5-39.9172.7-74.3-172.9-8100112V222 F226 P241 R252 W253 M259 S260V222-M256 HydrophobicContact CG1-CG 3.86Å; V222-M256 HydrophobicContact CG1-SD 4.31Å; F226-M256 HydrophobicContact CE2-CG 3.96Å; F226-M256 HydrophobicContact CE2-SD 4.33Å; F226-M256 HydrophobicContact CZ-CG 4.07Å; P241-M256 HydrophobicContact CB-SD 4.25Å; P241-M256 WeakPolarHBondContact O-CE 3.37Å; R252-M256 HydrophobicContact CB-CE 4.27Å; R252-M256 WeakPolarHBondContact O-CB 3.29Å; R252-M256 WeakPolarHBondContact O-CE 3.47Å; R252-M256 WeakPolarHBondContact O-CG 3.39Å; R252-M256 PolarHBondContact O-N 3.36Å; W253-M256 HydrophobicContact CD2-CE 3.92Å; W253-M256 HydrophobicContact CE3-CE 4.02Å; W253-M256 HydrophobicContact CG-CE 4.25Å; W253-M256 HydrophobicContact CZ3-CE 4.5Å; W253-M256 PolarHBondContact O-N 3.28Å; M256-M259 PolarHBondContact O-N 3.02Å; M256-S260 WeakPolarHBondContact O-CB 3.47Å; M256-S260 PolarHBondContact O-N 2.82Å
257G89.3Confident86.2Confident35 Ų3570.6 Ų70.636%0.36139%0.393SS..Hα-helixtrans-60.8-47.7175.800000112.2W253 S254 A255 S260 L261W253-G257 PolarHBondContact O-N 3.42Å; S254-G257 PolarHBondContact O-N 3.04Å; A255-G257 VanDerWaalsContact C-N 3.32Å; A255-G257 PolarHBondContact O-N 3.24Å; G257-S260 WeakPolarHBondContact O-CB 3.49Å; G257-S260 PolarHBondContact O-N 3.28Å; G257-S260 PolarHBondContact O-OG 3.46Å; G257-L261 PolarHBondContact O-N 3.29Å
258V91.2Very high87.4Confident80 Ų8069.5 Ų69.549%0.48538%0.384SS..Hα-helixtrans-62.5-46.4175.6172.90000110.9S254 A255 S260 L261 F262S254-V258 WeakPolarHBondContact O-CG2 3.32Å; S254-V258 PolarHBondContact O-N 2.95Å; A255-V258 PolarHBondContact O-N 3.04Å; V258-S260 PolarHBondContact O-N 3.33Å; V258-L261 WeakPolarHBondContact O-CB 3.4Å; V258-L261 PolarHBondContact O-N 2.88Å; V258-L261 VanDerWaalsContact O-N 3.08Å; V258-F262 HydrophobicContact CG1-CD2 4.41Å; V258-F262 HydrophobicContact CG1-CE2 3.85Å; V258-F262 VanDerWaalsContact O-CD2 3.28Å; V258-F262 WeakPolarHBondContact O-CD2 3.34Å
259M88.6Confident88.4Confident43 Ų4365.5 Ų65.521%0.21237%0.365CS..Hα-helixtrans-60.3-34.5176.5-71.7-62.3-70.200112.2L225 A255 M256 L261 F262 L263 L266L225-M259 HydrophobicContact CD2-CE 4.31Å; L225-M259 HydrophobicContact CD2-CG 3.79Å; L225-M259 HydrophobicContact CD2-SD 3.82Å; A255-M259 WeakPolarHBondContact O-CB 3.31Å; A255-M259 VanDerWaalsContact O-CG 3.28Å; A255-M259 WeakPolarHBondContact O-CG 3.5Å; A255-M259 PolarHBondContact O-N 3.32Å; M256-M259 PolarHBondContact O-N 3.02Å; M259-L261 PolarHBondContact O-N 3.21Å; M259-F262 PolarHBondContact O-N 3.26Å; M259-F262 VanDerWaalsContact O-N 3.1Å; M259-L263 HydrophobicContact CE-CD1 3.83Å; M259-L263 WeakPolarHBondContact O-CB 3.37Å; M259-L263 PolarHBondContact O-N 3.44Å; M259-L266 HydrophobicContact CB-CD1 4.05Å
260S90.7Very high89.1Confident19 Ų1969.9 Ų69.913%0.13339%0.386CS..Hα-helixtrans-66.3-19.9177.882.70000114.2M256 G257 V258 L263 W267M256-S260 WeakPolarHBondContact O-CB 3.47Å; M256-S260 PolarHBondContact O-N 2.82Å; G257-S260 WeakPolarHBondContact O-CB 3.49Å; G257-S260 PolarHBondContact O-N 3.28Å; G257-S260 PolarHBondContact O-OG 3.46Å; V258-S260 PolarHBondContact O-N 3.33Å; S260-L263 CarbonylContact O-C 3.53Å; S260-W267 PolarHBondContact OG-NE1 3.44Å; S260-W267 VanDerWaalsContact OG-NE1 3.11Å
261L90.3Very high89.7Confident129 Ų12968.3 Ų68.368%0.67537%0.374SS*.Hα-helixtrans-73-35.8171.8-60.5173.9000111.8G257 V258 M259G257-L261 PolarHBondContact O-N 3.29Å; V258-L261 WeakPolarHBondContact O-CB 3.4Å; V258-L261 PolarHBondContact O-N 2.88Å; V258-L261 VanDerWaalsContact O-N 3.08Å; M259-L261 PolarHBondContact O-N 3.21Å
262F90.4Very high90.1Very high157 Ų15765.3 Ų65.369%0.68936%0.358SS*.Hα-helixtrans-86.2-29178.5-61-74.3000112.7V258 M259 P264V258-F262 HydrophobicContact CG1-CD2 4.41Å; V258-F262 HydrophobicContact CG1-CE2 3.85Å; V258-F262 VanDerWaalsContact O-CD2 3.28Å; V258-F262 WeakPolarHBondContact O-CD2 3.34Å; M259-F262 PolarHBondContact O-N 3.26Å; M259-F262 VanDerWaalsContact O-N 3.1Å; F262-P264 WeakPolarHBondContact O-CD 3.47Å
263L90.1Very high90.5Very high38 Ų3868.1 Ų68.120%0.19937%0.371CS..  trans-117.481.5-178.8-66.3174000109.3C218 C221 M259 S260 C265 L266C218-L263 HydrophobicContact CB-CB 4.44Å; C218-L263 HydrophobicContact CB-CD1 4.03Å; C218-L263 HydrophobicContact CB-CD2 4.18Å; C218-L263 HydrophobicContact CB-CG 4.46Å; C221-L263 HydrophobicContact CB-CD1 3.76Å; M259-L263 HydrophobicContact CE-CD1 3.83Å; M259-L263 WeakPolarHBondContact O-CB 3.37Å; M259-L263 PolarHBondContact O-N 3.44Å; S260-L263 CarbonylContact O-C 3.53Å; L263-C265 PolarHBondContact O-N 3.45Å; L263-L266 HydrophobicContact CB-CD1 3.79Å; L263-L266 HydrophobicContact CB-CG 4.03Å; L263-L266 HydrophobicContact CD1-CD1 4.11Å; L263-L266 WeakPolarHBondContact O-CB 3.44Å; L263-L266 PolarHBondContact O-N 3.4Å
264P89.3Confident90.7Very high94 Ų9464.8 Ų64.861%0.6137%0.371SS*.THydrogen-bonded Turntrans-60.2-20.7-179.624.7-34.6000112.8F262 L266 W267F262-P264 WeakPolarHBondContact O-CD 3.47Å; P264-L266 PolarHBondContact O-N 2.61Å; P264-W267 PolarHBondContact O-N 2.78Å
265C92Very high91Very high29 Ų2965 Ų6520%0.19637%0.372CS..Hα-helixtrans-56.9-27.4170.843.30000113.8T217 C218 L263 W267 C268 Y269T217-C265 WeakPolarHBondContact CB-O 3.32Å; T217-C265 CarbonylContact O-C 3.56Å; C218-C265 HydrophobicContact CB-CB 4.25Å; C218-C265 WeakPolarHBondContact CB-SG 3.32Å; C218-C265 WeakPolarHBondContact SG-CB 3.36Å; C218-C265 CovalentContact SG-SG 2.06Å; C218-C265 PolarHBondContact SG-SG 3.44Å; L263-C265 PolarHBondContact O-N 3.45Å; C265-W267 VanDerWaalsContact C-N 3.26Å; C265-W267 PolarHBondContact O-N 2.84Å; C265-C268 VanDerWaalsContact O-CB 3.31Å; C265-C268 WeakPolarHBondContact O-CB 3.44Å; C265-C268 PolarHBondContact O-N 3.4Å; C265-Y269 PolarHBondContact O-N 3.27Å
266L90.7Very high91.3Very high20 Ų2064.3 Ų64.311%0.10536%0.364CS..Hα-helixtrans-65.9-29.4179.3-75.9169.2000112.3T217 V219 V222 M259 L263 P264 C268 Y269T217-L266 WeakPolarHBondContact O-CA 2.96Å; T217-L266 WeakPolarHBondContact O-CD2 3.44Å; T217-L266 PolarHBondContact O-N 3.34Å; V219-L266 HydrophobicContact CG2-CD2 3.71Å; V222-L266 HydrophobicContact CG2-CD1 3.77Å; V222-L266 HydrophobicContact CG2-CD2 3.69Å; V222-L266 HydrophobicContact CG2-CG 4.4Å; M259-L266 HydrophobicContact CB-CD1 4.05Å; L263-L266 HydrophobicContact CB-CD1 3.79Å; L263-L266 HydrophobicContact CB-CG 4.03Å; L263-L266 HydrophobicContact CD1-CD1 4.11Å; L263-L266 WeakPolarHBondContact O-CB 3.44Å; L263-L266 PolarHBondContact O-N 3.4Å; P264-L266 PolarHBondContact O-N 2.61Å; L266-C268 PolarHBondContact O-N 2.87Å; L266-Y269 WeakPolarHBondContact O-CB 3.11Å; L266-Y269 PolarHBondContact O-N 3.23Å
267W90.1Very high91.5Very high168 Ų16869.4 Ų69.464%0.63639%0.385SS*.Hα-helixtrans-67.3-27.4175.1-68.56.1000111.8S260 P264 C265 Y269 P271S260-W267 PolarHBondContact OG-NE1 3.44Å; S260-W267 VanDerWaalsContact OG-NE1 3.11Å; P264-W267 PolarHBondContact O-N 2.78Å; C265-W267 VanDerWaalsContact C-N 3.26Å; C265-W267 PolarHBondContact O-N 2.84Å; W267-Y269 VanDerWaalsContact C-N 3.28Å; W267-Y269 PolarHBondContact O-N 2.82Å; W267-P271 WeakPolarHBondContact O-CD 3.32Å
268C92.5Very high91.8Very high74 Ų7473.3 Ų73.350%0.540%0.398SS..Hα-helixtrans-74.7-15.8172.9-61.40000112.9T217 C265 L266 L270 P271 A272T217-C268 HydrophobicContact CG2-CB 4.32Å; C265-C268 VanDerWaalsContact O-CB 3.31Å; C265-C268 WeakPolarHBondContact O-CB 3.44Å; C265-C268 PolarHBondContact O-N 3.4Å; L266-C268 PolarHBondContact O-N 2.87Å; C268-L270 PolarHBondContact O-N 3.36Å; C268-P271 VanDerWaalsContact O-CD 3.28Å; C268-P271 WeakPolarHBondContact O-CD 3.47Å; C268-P271 VanDerWaalsContact O-CG 3.31Å; C268-P271 WeakPolarHBondContact O-CG 3.45Å; C268-A272 WeakPolarHBondContact O-CB 3.31Å; C268-A272 PolarHBondContact O-N 3.11Å
269Y92.4Very high91.8Very high18 Ų1872.9 Ų72.97%0.07140%0.397CS..Hα-helixtrans-61.9-41.9176-178.8-115.3000112.5I213 T217 V219 C265 L266 W267 A272 K273I213-Y269 HydrophobicContact CG2-CD2 3.65Å; I213-Y269 HydrophobicContact CG2-CE2 3.86Å; T217-Y269 VanDerWaalsContact OG1-CD2 3.31Å; T217-Y269 WeakPolarHBondContact OG1-CD2 3.02Å; V219-Y269 HydrophobicContact CB-CD2 4.43Å; V219-Y269 HydrophobicContact CB-CE2 4.39Å; V219-Y269 HydrophobicContact CG1-CE2 4.46Å; V219-Y269 HydrophobicContact CG2-CD1 3.99Å; V219-Y269 HydrophobicContact CG2-CD2 3.42Å; V219-Y269 VanDerWaalsContact CG2-CD2 3.42Å; V219-Y269 HydrophobicContact CG2-CE1 4.26Å; V219-Y269 HydrophobicContact CG2-CE2 3.71Å; V219-Y269 HydrophobicContact CG2-CG 3.54Å; C265-Y269 PolarHBondContact O-N 3.27Å; L266-Y269 WeakPolarHBondContact O-CB 3.11Å; L266-Y269 PolarHBondContact O-N 3.23Å; W267-Y269 VanDerWaalsContact C-N 3.28Å; W267-Y269 PolarHBondContact O-N 2.82Å; Y269-A272 PolarHBondContact O-N 3.08Å; Y269-K273 HydrophobicContact CE1-CD 3.71Å; Y269-K273 HydrophobicContact CE2-CD 4.4Å; Y269-K273 WeakPolarHBondContact O-CB 3.18Å; Y269-K273 PolarHBondContact O-N 3.22Å; Y269-K273 PolarHBondContact OH-NZ 2.79Å
270L90.9Very high92Very high123 Ų12373.9 Ų73.964%0.64440%0.401SS*.Hα-helixtrans-61.2-54.4-179.9-60.1179.1000112.5C268 G274C268-L270 PolarHBondContact O-N 3.36Å; L270-G274 PolarHBondContact O-N 3.04Å
271P94Very high92.1Very high76 Ų7674.5 Ų74.549%0.49441%0.411SS..Hα-helixtrans-65.6-39.6175.725.6-32.9000111.9W267 C268 K273 G274 C275W267-P271 WeakPolarHBondContact O-CD 3.32Å; C268-P271 VanDerWaalsContact O-CD 3.28Å; C268-P271 WeakPolarHBondContact O-CD 3.47Å; C268-P271 VanDerWaalsContact O-CG 3.31Å; C268-P271 WeakPolarHBondContact O-CG 3.45Å; P271-K273 PolarHBondContact O-N 3.2Å; P271-G274 PolarHBondContact O-N 3.49Å; P271-C275 WeakPolarHBondContact O-CB 3.17Å; P271-C275 PolarHBondContact O-N 3.28Å; P271-C275 PolarHBondContact O-SG 2.95Å
272A93.3Very high92.2Very high26 Ų2671.7 Ų71.722%0.21540%0.401CS..Hα-helixtrans-62.4-43.5178.700000112.3I213 T217 C268 Y269 G274 C275 L276I213-A272 HydrophobicContact CD1-CB 4.25Å; I213-A272 HydrophobicContact CG1-CB 4.2Å; I213-A272 HydrophobicContact CG2-CB 3.95Å; T217-A272 HydrophobicContact CG2-CB 4.3Å; C268-A272 WeakPolarHBondContact O-CB 3.31Å; C268-A272 PolarHBondContact O-N 3.11Å; Y269-A272 PolarHBondContact O-N 3.08Å; A272-G274 VanDerWaalsContact C-N 3.33Å; A272-G274 PolarHBondContact O-N 3.21Å; A272-C275 WeakPolarHBondContact O-CB 3.49Å; A272-C275 PolarHBondContact O-N 2.84Å; A272-L276 WeakPolarHBondContact O-CB 3.28Å; A272-L276 PolarHBondContact O-N 3.45Å
273K92.4Very high92.3Very high69 Ų6968.1 Ų68.130%0.338%0.383SS..Hα-helixtrans-64.6-38175.4-170.7174.7-166.2163.50111.6Y269 P271 L276 K277Y269-K273 HydrophobicContact CE1-CD 3.71Å; Y269-K273 HydrophobicContact CE2-CD 4.4Å; Y269-K273 WeakPolarHBondContact O-CB 3.18Å; Y269-K273 PolarHBondContact O-N 3.22Å; Y269-K273 PolarHBondContact OH-NZ 2.79Å; P271-K273 PolarHBondContact O-N 3.2Å; K273-L276 PolarHBondContact O-N 3.01Å; K273-K277 VanDerWaalsContact O-CG 3.31Å; K273-K277 WeakPolarHBondContact O-CG 3.31Å; K273-K277 PolarHBondContact O-N 3.44Å
274G93.4Very high92.3Very high42 Ų4267.1 Ų67.143%0.43338%0.379SS..Hα-helixtrans-60.9-48.7171.400000112.2L270 P271 A272 L276 K277 L278L270-G274 PolarHBondContact O-N 3.04Å; P271-G274 PolarHBondContact O-N 3.49Å; A272-G274 VanDerWaalsContact C-N 3.33Å; A272-G274 PolarHBondContact O-N 3.21Å; G274-L276 VanDerWaalsContact C-N 3.35Å; G274-L276 PolarHBondContact O-N 3.46Å; G274-K277 PolarHBondContact O-N 3.37Å; G274-L278 PolarHBondContact O-N 3.5Å
275C94.4Very high92.3Very high74 Ų7469.4 Ų69.450%0.538%0.375SS..Hα-helixtrans-59-43.6174.9-69.20000111.7P271 A272 K277 L278 C279P271-C275 WeakPolarHBondContact O-CB 3.17Å; P271-C275 PolarHBondContact O-N 3.28Å; P271-C275 PolarHBondContact O-SG 2.95Å; A272-C275 WeakPolarHBondContact O-CB 3.49Å; A272-C275 PolarHBondContact O-N 2.84Å; C275-K277 PolarHBondContact O-N 3.49Å; C275-L278 WeakPolarHBondContact O-CB 3.08Å; C275-L278 PolarHBondContact O-N 2.95Å; C275-C279 WeakPolarHBondContact O-CB 3.48Å; C275-C279 PolarHBondContact O-N 3.06Å; C275-C279 PolarHBondContact O-SG 3.21Å
276L93.1Very high92.2Very high15 Ų1574.2 Ų74.28%0.07940%0.403CS..Hα-helixtrans-58.9-46.5176.4-174.476.9000111.9L195 A209 Q210 I213 A272 K273 G274 L278 C279 Q280L195-L276 HydrophobicContact CD1-CD1 3.5Å; L195-L276 HydrophobicContact CD1-CG 4.13Å; A209-L276 HydrophobicContact CB-CD1 3.37Å; Q210-L276 HydrophobicContact CB-CD2 4.48Å; I213-L276 HydrophobicContact CD1-CB 3.61Å; I213-L276 HydrophobicContact CD1-CD1 3.88Å; I213-L276 HydrophobicContact CD1-CD2 4.06Å; I213-L276 HydrophobicContact CD1-CG 4.05Å; A272-L276 WeakPolarHBondContact O-CB 3.28Å; A272-L276 PolarHBondContact O-N 3.45Å; K273-L276 PolarHBondContact O-N 3.01Å; G274-L276 VanDerWaalsContact C-N 3.35Å; G274-L276 PolarHBondContact O-N 3.46Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 3.26Å; L276-C279 PolarHBondContact O-N 2.06Å; L276-Q280 VanDerWaalsContact O-CB 3.31Å; L276-Q280 WeakPolarHBondContact O-CB 3.5Å; L276-Q280 PolarHBondContact O-N 3.34Å
277K92.9Very high92Very high128 Ų12877.1 Ų77.156%0.55742%0.419SS*.Hα-helixtrans-64.4-37.5178.1-70.3-73.9-179.5173.70111.6K273 G274 C275 G281K273-K277 VanDerWaalsContact O-CG 3.31Å; K273-K277 WeakPolarHBondContact O-CG 3.31Å; K273-K277 PolarHBondContact O-N 3.44Å; G274-K277 PolarHBondContact O-N 3.37Å; C275-K277 PolarHBondContact O-N 3.49Å; K277-G281 PolarHBondContact O-N 3.32Å
278L94.7Very high91.9Very high118 Ų11871.1 Ų71.162%0.61840%0.396SS*.Hα-helixtrans-65.4-46.6173.2-178.562.2000111.3G274 C275 L276 G281 C282G274-L278 PolarHBondContact O-N 3.5Å; C275-L278 WeakPolarHBondContact O-CB 3.08Å; C275-L278 PolarHBondContact O-N 2.95Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 3.26Å; L278-G281 CarbonylContact O-C 3.36Å; L278-G281 WeakPolarHBondContact O-CA 3.41Å; L278-G281 PolarHBondContact O-N 3.33Å; L278-C282 PolarHBondContact O-N 2.87Å; L278-C282 PolarHBondContact O-SG 3.03Å; L278-C282 VanDerWaalsContact O-SG 3.33Å
279C92.5Very high91.5Very high70 Ų7071.1 Ų71.147%0.47340%0.395SS..Hα-helixtrans-61.8-44.4176.7-70.60000111.8C275 L276 G281 C282 Y283C275-C279 WeakPolarHBondContact O-CB 3.48Å; C275-C279 PolarHBondContact O-N 3.06Å; C275-C279 PolarHBondContact O-SG 3.21Å; L276-C279 PolarHBondContact O-N 2.06Å; C279-G281 VanDerWaalsContact C-N 3.31Å; C279-G281 PolarHBondContact O-N 2.94Å; C279-C282 PolarHBondContact O-N 2.88Å; C279-Y283 VanDerWaalsContact O-CB 3.24Å; C279-Y283 WeakPolarHBondContact O-CB 3.39Å; C279-Y283 PolarHBondContact O-N 3.45Å
280Q92.7Very high91.3Very high65 Ų6570.3 Ų70.330%0.30439%0.392SS..Hα-helixtrans-61.7-42.1174.2-174.7175.914.100110.8L195 L276 Y283 D284L195-Q280 HydrophobicContact CD1-CB 3.95Å; L195-Q280 HydrophobicContact CG-CB 4Å; L195-Q280 HydrophobicContact CG-CG 4.27Å; L276-Q280 VanDerWaalsContact O-CB 3.31Å; L276-Q280 WeakPolarHBondContact O-CB 3.5Å; L276-Q280 PolarHBondContact O-N 3.34Å; Q280-Y283 PolarHBondContact O-N 3.06Å; Q280-D284 WeakPolarHBondContact O-CB 3.36Å; Q280-D284 PolarHBondContact O-N 2.87Å
281G91.8Very high91.2Very high32 Ų3264.7 Ų64.733%0.3336%0.363SS..Hα-helixtrans-58-54.4172.500000111.5K277 L278 C279 Y283 D284 R285K277-G281 PolarHBondContact O-N 3.32Å; L278-G281 CarbonylContact O-C 3.36Å; L278-G281 WeakPolarHBondContact O-CA 3.41Å; L278-G281 PolarHBondContact O-N 3.33Å; C279-G281 VanDerWaalsContact C-N 3.31Å; C279-G281 PolarHBondContact O-N 2.94Å; G281-Y283 VanDerWaalsContact C-N 3.33Å; G281-Y283 PolarHBondContact O-N 3.18Å; G281-D284 PolarHBondContact O-N 3.4Å; G281-R285 WeakPolarHBondContact O-CB 3.36Å; G281-R285 WeakPolarHBondContact O-CG 3.35Å; G281-R285 PolarHBondContact O-N 3.33Å
282C92.6Very high90.8Very high70 Ų7066.7 Ų66.747%0.47336%0.361SS..Hα-helixtrans-59.5-42.1178.2-68.80000112.3L278 C279 R285 V286L278-C282 PolarHBondContact O-N 2.87Å; L278-C282 PolarHBondContact O-SG 3.03Å; L278-C282 VanDerWaalsContact O-SG 3.33Å; C279-C282 PolarHBondContact O-N 2.88Å; C282-R285 WeakPolarHBondContact O-CB 3.37Å; C282-R285 PolarHBondContact O-N 3.37Å; C282-V286 WeakPolarHBondContact O-CG2 3.28Å; C282-V286 PolarHBondContact O-N 2.91Å
283Y92.3Very high90.5Very high81 Ų8167.8 Ų67.832%0.31837%0.366SS..Hα-helixtrans-62.9-46.9177.1-174.8-98000111.6R193 P194 L195 C279 Q280 G281 R285 V286 N287R193-Y283 HydrophobicContact CB-CD1 4.08Å; R193-Y283 HydrophobicContact CB-CE1 3.89Å; P194-Y283 VanDerWaalsContact O-CE1 3.22Å; P194-Y283 WeakPolarHBondContact O-CE1 3.38Å; L195-Y283 HydrophobicContact CD2-CD1 4.46Å; L195-Y283 HydrophobicContact CD2-CG 4.08Å; C279-Y283 VanDerWaalsContact O-CB 3.24Å; C279-Y283 WeakPolarHBondContact O-CB 3.39Å; C279-Y283 PolarHBondContact O-N 3.45Å; Q280-Y283 PolarHBondContact O-N 3.06Å; G281-Y283 VanDerWaalsContact C-N 3.33Å; G281-Y283 PolarHBondContact O-N 3.18Å; Y283-R285 VanDerWaalsContact C-N 3.27Å; Y283-R285 PolarHBondContact O-N 2.77Å; Y283-V286 PolarHBondContact O-N 3.35Å; Y283-N287 HydrophobicContact CE1-CB 4.2Å; Y283-N287 HydrophobicContact CE2-CB 4.39Å; Y283-N287 VanDerWaalsContact O-CB 3.29Å; Y283-N287 WeakPolarHBondContact O-CB 3.45Å; Y283-N287 PolarHBondContact O-N 3.37Å; Y283-N287 PolarHBondContact OH-ND2 3.23Å
284D91.4Very high90Very high18 Ų1874 Ų7410%0.09639%0.393CS..Hα-helixtrans-58.5-42.3172.9-176.954.6000111.1P192 R193 Q280 G281 V286 R288P192-D284 WeakPolarHBondContact CA-OD1 3.44Å; R193-D284 PolarHBondContact N-OD1 3.5Å; Q280-D284 WeakPolarHBondContact O-CB 3.36Å; Q280-D284 PolarHBondContact O-N 2.87Å; G281-D284 PolarHBondContact O-N 3.4Å; D284-V286 VanDerWaalsContact C-N 3.3Å; D284-V286 PolarHBondContact O-N 3.28Å; D284-R288 WeakPolarHBondContact O-CB 3.43Å; D284-R288 PolarHBondContact O-N 3.26Å; D284-R288 VanDerWaalsContact O-N 3.09Å; D284-R288 WeakPolarHBondContact OD1-CD 3.43Å; D284-R288 IonicContact OD1-NH1 3.66Å; D284-R288 IonicContact OD2-NH1 3.85Å; D284-R288 PolarHBondContact OD2-NH1 3.1Å
285R88.7Confident89.4Confident141 Ų14178.8 Ų78.853%0.53241%0.409SS..Hα-helixtrans-64.2-35.2-177.3-67.3-80.7-168.8-153.314.8112.4G281 C282 Y283 R292G281-R285 WeakPolarHBondContact O-CB 3.36Å; G281-R285 WeakPolarHBondContact O-CG 3.35Å; G281-R285 PolarHBondContact O-N 3.33Å; C282-R285 WeakPolarHBondContact O-CB 3.37Å; C282-R285 PolarHBondContact O-N 3.37Å; Y283-R285 VanDerWaalsContact C-N 3.27Å; Y283-R285 PolarHBondContact O-N 2.77Å; R285-R292 VanDerWaalsContact CZ-NH2 3.35Å; R285-R292 VanDerWaalsContact NH1-CZ 3.3Å; R285-R292 VanDerWaalsContact NH1-NE 3.11Å; R285-R292 PolarHBondContact O-NH1 3.46Å
286V89.4Confident88.6Confident130 Ų13075.9 Ų75.979%0.78839%0.389SS*.Hα-helixtrans-88.6-43.6-178.4175.50000112.1C282 Y283 D284C282-V286 WeakPolarHBondContact O-CG2 3.28Å; C282-V286 PolarHBondContact O-N 2.91Å; Y283-V286 PolarHBondContact O-N 3.35Å; D284-V286 VanDerWaalsContact C-N 3.3Å; D284-V286 PolarHBondContact O-N 3.28Å
287N87.7Confident88Confident82 Ų8280.7 Ų80.744%0.43942%0.415SS..Hα-helixtrans-93.5-7.8-170-16250.4000114.2R193 Y283 P289R193-N287 HydrophobicContact CG-CB 4.49Å; Y283-N287 HydrophobicContact CE1-CB 4.2Å; Y283-N287 HydrophobicContact CE2-CB 4.39Å; Y283-N287 VanDerWaalsContact O-CB 3.29Å; Y283-N287 WeakPolarHBondContact O-CB 3.45Å; Y283-N287 PolarHBondContact O-N 3.37Å; Y283-N287 PolarHBondContact OH-ND2 3.23Å; N287-P289 VanDerWaalsContact O-CD 3.32Å; N287-P289 WeakPolarHBondContact O-CD 3.38Å
288R87.2Confident87.4Confident41 Ų4178 Ų7816%0.15541%0.41CS..  trans-79.9118.5-179.4-175.5162.5162.3-168.82.2111.7C189 T190 R193 D284C189-R288 WeakPolarHBondContact O-CG 3.49Å; T190-R288 VanDerWaalsContact CG2-NH2 3.26Å; T190-R288 PolarHBondContact O-NE 3.03Å; T190-R288 PolarHBondContact O-NH2 2.84Å; R193-R288 HydrophobicContact CG-CB 4.37Å; D284-R288 WeakPolarHBondContact O-CB 3.43Å; D284-R288 PolarHBondContact O-N 3.26Å; D284-R288 VanDerWaalsContact O-N 3.09Å; D284-R288 WeakPolarHBondContact OD1-CD 3.43Å; D284-R288 IonicContact OD1-NH1 3.66Å; D284-R288 IonicContact OD2-NH1 3.85Å; D284-R288 PolarHBondContact OD2-NH1 3.1Å
289P84.5Confident86.7Confident75 Ų7575.6 Ų75.649%0.48740%0.4SS..  trans-78.6-21.5-176.731.1-34.7000113.3N287N287-P289 VanDerWaalsContact O-CD 3.32Å; N287-P289 WeakPolarHBondContact O-CD 3.38Å
290G87.3Confident86Confident0 Ų076.2 Ų76.20%040%0.404CS..SBendtrans-79.9177.9-173.200000116.1K183 C184 C189K183-G290 WeakPolarHBondContact CD-O 3.46Å; C184-G290 CarbonylContact O-C 3.51Å; C184-G290 VanDerWaalsContact O-CA 3.22Å; C184-G290 WeakPolarHBondContact O-CA 3.44Å; C189-G290 WeakPolarHBondContact O-CA 3.22Å; C189-G290 PolarHBondContact O-N 3.36Å
291C88.9Confident85Confident6 Ų675.5 Ų75.54%0.04141%0.405CS..  trans-65.2143.9175.3-178.90000112.1C178 K183 C184 K185 C293C178-C291 HydrophobicContact CB-CB 3.81Å; C178-C291 WeakPolarHBondContact CB-SG 3.32Å; C178-C291 PolarHBondContact SG-SG 3.05Å; K183-C291 HydrophobicContact CB-CB 4.27Å; C184-C291 PolarHBondContact O-N 3.2Å; K185-C291 HydrophobicContact CD-CB 4.22Å; K185-C291 HydrophobicContact CG-CB 3.74Å; C291-C293 PolarHBondContact SG-N 3.47Å
292R85.5Confident83.7Confident117 Ų11782.9 Ų82.944%0.44243%0.428SS..  trans-121.36.2176.3-69171.947.8-166.8-18.5113.3R285R285-R292 VanDerWaalsContact CZ-NH2 3.35Å; R285-R292 VanDerWaalsContact NH1-CZ 3.3Å; R285-R292 VanDerWaalsContact NH1-NE 3.11Å; R285-R292 PolarHBondContact O-NH1 3.46Å
293C86.5Confident82.2Confident49 Ų4984 Ų8433%0.33143%0.433SS..  trans-74.7133.6-179.2-55.30000109.9C291 S296C291-C293 PolarHBondContact SG-N 3.47Å; C293-S296 WeakPolarHBondContact CB-OG 3.06Å
294K83.4Confident80.4Confident200 Ų20085.3 Ų85.387%0.8745%0.451SS*.SBendtrans-76.8-28.2-176.9-162177.1-179.8-173.60113
295N80.5Confident78.6Confident143 Ų14390.3 Ų90.377%0.76548%0.483SS*.SBendtrans-136.127.1-168.9-74.386.4000114.6
296S77.8Confident77Confident12 Ų1289.3 Ų89.38%0.08449%0.492CS..  trans-88.9143.6-175.965.70000113.3C178 D180 K185 C293C178-S296 WeakPolarHBondContact SG-CB 3.33Å; C178-S296 PolarHBondContact SG-OG 2.93Å; D180-S296 WeakPolarHBondContact OD2-CA 3.49Å; D180-S296 WeakPolarHBondContact OD2-CB 3.31Å; K185-S296 WeakPolarHBondContact CE-OG 3.33Å; K185-S296 PolarHBondContact NZ-O 2.8Å; K185-S296 PolarHBondContact NZ-OG 3.42Å; C293-S296 WeakPolarHBondContact CB-OG 3.06Å
297N79.1Confident75.4Confident116 Ų11688 Ų8862%0.6249%0.486SS*.  trans-69.5152.6170.1-69.1-57000110.9E179E179-N297 PolarHBondContact N-O 3.04Å; E179-N297 WeakPolarHBondContact OE2-CB 3.43Å
298T82.1Confident73.9Confident73 Ų7389.5 Ų89.545%0.44850%0.5SS..EExtended strand (participates in β ladder)trans-104.3123175.849.30000110.3R177 K185R177-T298 CarbonylContact O-C 3.53Å; R177-T298 VanDerWaalsContact O-CA 3.3Å; R177-T298 WeakPolarHBondContact O-CA 3.39Å; K185-T298 HydrophobicContact CB-CG2 4.04Å; K185-T298 HydrophobicContact CD-CG2 3.36Å; K185-T298 HydrophobicContact CG-CG2 3.75Å
299V79.9Confident72.3Confident67 Ų6798.2 Ų98.241%0.40653%0.533SS..EExtended strand (participates in β ladder)trans-94.2132168.6-66.40000109.1R177 E179 C301R177-V299 HydrophobicContact CB-CG2 4.26Å; R177-V299 PolarHBondContact N-O 3.24Å; R177-V299 WeakPolarHBondContact O-CG2 3.28Å; R177-V299 PolarHBondContact O-N 3.35Å; E179-V299 HydrophobicContact CB-CG1 4.45Å; E179-V299 HydrophobicContact CG-CG1 4.49Å; V299-C301 PolarHBondContact O-N 3.25Å
300C76.5Confident70.8Confident82 Ų82102 Ų10255%0.55455%0.549SS*.EExtended strand (participates in β ladder)trans-83.8111.6173.4-174.40000108.7Y176 K302Y176-C300 HydrophobicContact CD1-CB 4.44Å; Y176-C300 HydrophobicContact CE1-CB 4.39Å; C300-K302 PolarHBondContact O-N 3.27Å
301C71.5Confident69.4Low50 Ų50111.6 Ų111.634%0.33859%0.591SS.*  trans-73.396170-680000108.5A175 R177 V299 V303A175-C301 PolarHBondContact O-N 3.06Å; R177-C301 WeakPolarHBondContact CD-SG 3.34Å; V299-C301 PolarHBondContact O-N 3.25Å; C301-V303 PolarHBondContact O-N 2.85Å
302K64.9Low67.4Low187 Ų187120.1 Ų120.181%0.81363%0.631SS**  trans-65.3106.1165.3-166.9167.7-174.6172.70107.2C300C300-K302 PolarHBondContact O-N 3.27Å
303V61.2Low66Low93 Ų93123.4 Ų123.456%0.56465%0.648SS**  trans-52.8128.3172.6-178.80000107.1C301 T305C301-V303 PolarHBondContact O-N 2.85Å; V303-T305 PolarHBondContact O-N 2.89Å
304P54.2Low64.7Low109 Ų109126.2 Ų126.271%0.70867%0.666SS**  trans-59.8112.7175.2-18.129.3000107.9V306P304-V306 PolarHBondContact O-N 3.2Å
305T53.9Low63.1Low124 Ų124126.5 Ų126.576%0.76169%0.685SS**  trans-58.2107.1169-390000106.4V303 P307V303-T305 PolarHBondContact O-N 2.89Å; T305-P307 WeakPolarHBondContact O-CD 3.49Å; T305-P307 VanDerWaalsContact O-N 3.14Å
306V54.2Low62.3Low120 Ų120125.7 Ų125.773%0.72768%0.681SS**PPolyproline II helixtrans-57119.8173.8177.70000106.6P304P304-V306 PolarHBondContact O-N 3.2Å
307P56.3Low61.5Low102 Ų102131.6 Ų131.666%0.66271%0.712SS**PPolyproline II helixtrans-62.3144.8176-3.512.7000108.8T305 R309T305-P307 WeakPolarHBondContact O-CD 3.49Å; T305-P307 VanDerWaalsContact O-N 3.14Å; P307-R309 PolarHBondContact O-N 2.82Å; P307-R309 VanDerWaalsContact O-N 3.08Å
308P56Low60.5Low113 Ų113132.5 Ų132.573%0.73472%0.717SS**PPolyproline II helixtrans-58.6121.7175.925.8-31.8000108N310P308-N310 PolarHBondContact O-N 3.08Å
309R53.6Low59.2Low225 Ų225136 Ų13685%0.84973%0.733SS**  trans-57.4107.8168.2-73.5-178.5172.6-179.6-3.2106.7P307 F311P307-R309 PolarHBondContact O-N 2.82Å; P307-R309 VanDerWaalsContact O-N 3.08Å; R309-F311 PolarHBondContact O-N 3.45Å; R309-F311 VanDerWaalsContact O-N 3.09Å
310N53.4Low57.9Low153 Ų153140.3 Ų140.382%0.81875%0.753SS**  trans-57.9114.7165.2-88.4-80.1000106.2P308 E312P308-N310 PolarHBondContact O-N 3.08Å; N310-E312 VanDerWaalsContact C-N 3.27Å; N310-E312 PolarHBondContact O-N 2.67Å
311F57Low56.7Low202 Ų202144.2 Ų144.289%0.88677%0.767SS**  trans-66.396.7164-93.2-94.2000106.5R309 K313R309-F311 PolarHBondContact O-N 3.45Å; R309-F311 VanDerWaalsContact O-N 3.09Å; F311-K313 PolarHBondContact O-N 3.11Å; F311-K313 VanDerWaalsContact O-N 3.17Å
312E48.7Very low55.6Low186 Ų186150.9 Ų150.987%0.86980%0.797SS**  trans-55.7113.6162.5-146.8172.1106.100107N310N310-E312 VanDerWaalsContact C-N 3.27Å; N310-E312 PolarHBondContact O-N 2.67Å
313K54.5Low54.9Low185 Ų185148.2 Ų148.280%0.80480%0.796SS**  trans-75.5125.1173.4-172.1177-177.3-170.10107.5F311F311-K313 PolarHBondContact O-N 3.11Å; F311-K313 VanDerWaalsContact O-N 3.17Å
314P60.1Low54.4Low109 Ų109152.8 Ų152.871%0.70882%0.815SS**  trans-77.5132.5172.18.66.1000109.8
315T50.8Low54.4Low205 Ų205156.7 Ų156.7100%1.25883%0.825SS**  trans78.30160.4-32.30000117.6

Retrieved 315 of 315 residues in 147 ms (Link to these results)