A0A087XF26_POEFO Loading...

Zinc finger protein 703

AlphaFold DB , UniProt , Accession A0A087XF26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 579 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
1M35.3Very low38.4Very low232 Ų232137.4 Ų137.4100%1.14380%0.8SS**  0134.10-60.9-170.8-167.100106.6
2R37.7Very low37.9Very low224 Ų224140.2 Ų140.285%0.84581%0.808SS**  54.8133.4101.8-56.6-159.2173168.6-4114.2
3D37.3Very low37.4Very low140 Ų140145.5 Ų145.575%0.74981%0.806SS**  cis-160.9175.9-11.3-113.6-50000110.3
4L41.3Very low36.8Very low154 Ų154141.9 Ų141.981%0.80680%0.796SS**  trans-67.7170.2163.7-88.7168.6000111
5P55.5Low36.5Very low118 Ų118144.6 Ų144.677%0.76680%0.8SS**  cis-147.9-175.237.843.6-22.2000118.3
6A42Very low36.1Very low96 Ų96143.3 Ų143.379%0.79380%0.804SS**  trans-78164.9164.200000112.3
7G31.1Very low35.8Very low81 Ų81141.8 Ų141.884%0.83581%0.805SS**  trans-145.7140.5168.100000110.2
8S36.8Very low36.2Very low103 Ų103140.4 Ų140.472%0.7280%0.802SS**  trans-109.9-171.4-174.749.10000112.2
9D37.7Very low35.8Very low148 Ų148142.1 Ų142.179%0.79180%0.803SS**  trans79.8143.3161.6-62.2-69.5000117.9
10A35Very low35.7Very low73 Ų73146.2 Ų146.260%0.60381%0.805SS**  cis-163.9163.6-8.900000114.6
11L32.1Very low35.5Very low142 Ų142145.2 Ų145.274%0.74381%0.809SS**  trans63.8122.2145.8-77163.4000122.7
12L33.5Very low35.3Very low171 Ų171137.8 Ų137.890%0.89579%0.791SS**  167.699.4120.4-89.2173.1000107.3
13R30.5Very low35.1Very low210 Ų210134.5 Ų134.579%0.79279%0.79SS**  74.37950.8-160-174.2-173.8163.86116.1
14S28.9Very low35.1Very low95 Ų95135.4 Ų135.466%0.66479%0.794SS**  178.7114.2128.8-84.50000111.1
15Q32.6Very low34.7Very low182 Ų182138.3 Ų138.385%0.8580%0.795SS**  77.898.790.8-73.9-171103.500115.7
16S30.4Very low33.6Very low123 Ų123144.2 Ų144.286%0.8680%0.801SS**  -165.4143.6124.657.20000113.1
17S31Very low33.2Very low118 Ų118151.5 Ų151.583%0.82581%0.809SS**  trans-148.4160.4168.2-81.40000104.2
18P43Very low33.2Very low117 Ų117152.3 Ų152.376%0.7681%0.807SS**  cis-152.9-157.640.842.6-19.7000115.8
19E28.3Very low33Very low173 Ų173152.4 Ų152.481%0.80881%0.814SS**  trans93.7161.1145.5-87.8-74.755.400121.5
20R33.6Very low33Very low224 Ų224154.7 Ų154.785%0.84582%0.82SS**  trans-139.1169.6-148.8-172.3-175.9-177.5-162.93.3110.8
21S31.4Very low33Very low126 Ų126156.9 Ų156.988%0.88183%0.831SS**  trans81.1145.5168.9-154.40000116
22G30.6Very low33.3Very low75 Ų75154.8 Ų154.877%0.77383%0.834SS**  trans159.738.7-173.700000115L24G22-L24 PolarHBondContact O-N 3.03Å
23D35.1Very low33.5Very low156 Ų156152.4 Ų152.483%0.83483%0.832SS**  trans-86.8106.1-178-167.7-13.9000111.3
24L35.8Very low34Very low159 Ų159146.5 Ų146.583%0.83283%0.828SS**  trans-149.797.6174.8-111.3176.8000115.4G22G22-L24 PolarHBondContact O-N 3.03Å
25R33.9Very low34.6Very low215 Ų215148.2 Ų148.281%0.81184%0.837SS**  trans1.8140.9154.8-66.9-178.1165.5-159.5-5.2122
26R32.8Very low35Very low241 Ų241145.7 Ų145.791%0.90983%0.834SS**  trans68.2133.7156.5-70.5179.4168.6-166.8-3.7115
27R32.1Very low35.8Very low250 Ų250145.8 Ų145.894%0.94383%0.832SS**  -153.4174.455.3-149.1171.9-174.8164-0.6112.9
28A31Very low36.5Very low98 Ų98146.8 Ų146.881%0.8183%0.833SS**  trans-66.4152.7-173.700000115.9
29A33.8Very low36.7Very low105 Ų105146.5 Ų146.587%0.86883%0.834SS**  -154.9141.4122.800000110
30E37Very low37.8Very low195 Ų195145.2 Ų145.291%0.91183%0.832SS**  trans-100.9136.4171.9-173.2177.113000108.3
31S34.6Very low38.7Very low120 Ų120137.6 Ų137.684%0.83981%0.811SS**  trans-151.9121.7172.6-171.40000109.9
32A39.8Very low40Very low97 Ų97135.2 Ų135.280%0.80279%0.794SS**PPolyproline II helixtrans-93.5126.7-176.600000111.1
33S37.6Very low41.3Very low122 Ų122137.1 Ų137.185%0.85379%0.794SS**PPolyproline II helixtrans-88.9134.9170.349.80000111.1
34A39.7Very low42.3Very low86 Ų86132.9 Ų132.971%0.71178%0.78SS**PPolyproline II helixtrans-71.1154.8-175.100000113.4
35P41.4Very low43.6Very low130 Ų130127.4 Ų127.484%0.84475%0.752SS**PPolyproline II helixtrans-67.1139174.528.6-35.2000111.9
36T42.7Very low45Very low130 Ų130122 Ų12280%0.79874%0.744SS**PPolyproline II helixtrans-81.1143.9179.142.80000112.4
37P45.5Very low46.4Very low124 Ų124113.9 Ų113.981%0.80573%0.725SS**PPolyproline II helixtrans-77.3134.9178.830.7-34.2000112S39P37-S39 PolarHBondContact O-N 3.06Å
38T47.6Very low47.7Very low139 Ų139108.1 Ų108.185%0.85370%0.703SS**PPolyproline II helixtrans-65.8118.8176.4-460000111.1L40T38-L40 PolarHBondContact O-N 3.45Å
39S46.9Very low49.1Very low111 Ų111109 Ų10978%0.77669%0.69SS**PPolyproline II helixtrans-67.6121.8178.6-170.30000111.6P37P37-S39 PolarHBondContact O-N 3.06Å
40L50.3Low50.3Low146 Ų146111.2 Ų111.276%0.76469%0.687SS**PPolyproline II helixtrans-80126173.1-80.1163.1000109.7T38T38-L40 PolarHBondContact O-N 3.45Å
41P53.6Low51.4Low65 Ų65110.7 Ų110.742%0.42268%0.682SS.*PPolyproline II helixtrans-65.8139-178.424.6-32.9000111.9D45P41-D45 HydrophobicContact CB-CB 4.48Å; P41-D45 WeakPolarHBondContact CB-OD2 3.27Å
42S58.1Low52.8Low75 Ų75114.8 Ų114.852%0.52468%0.679SS.*PPolyproline II helixtrans-49.9145-177.7174.70000112.8A44 D45S42-A44 PolarHBondContact O-N 3.18Å; S42-D45 VanDerWaalsContact O-CB 3.3Å; S42-D45 WeakPolarHBondContact O-CB 3.23Å; S42-D45 PolarHBondContact O-N 2.84Å
43P58.4Low53.8Low116 Ų116115.3 Ų115.375%0.75367%0.668SS**THydrogen-bonded Turntrans-60.8-10.8178.225-35.6000114.8
44A56Low55.3Low66 Ų66113.3 Ų113.355%0.54565%0.652SS.*THydrogen-bonded Turntrans-83.9-11.2174.300000114.6S42 Q49S42-A44 PolarHBondContact O-N 3.18Å; A44-Q49 PolarHBondContact O-NE2 3.37Å; A44-Q49 VanDerWaalsContact O-NE2 3.11Å
45D61.8Low56.3Low45 Ų45114.9 Ų114.924%0.24165%0.653CS.*  trans-56122.7-175.4-177.8-24000112.7P41 S42 S47 R48 Q49P41-D45 HydrophobicContact CB-CB 4.48Å; P41-D45 WeakPolarHBondContact CB-OD2 3.27Å; S42-D45 VanDerWaalsContact O-CB 3.3Å; S42-D45 WeakPolarHBondContact O-CB 3.23Å; S42-D45 PolarHBondContact O-N 2.84Å; D45-S47 PolarHBondContact O-N 2.92Å; D45-S47 VanDerWaalsContact OD1-CB 3.24Å; D45-S47 WeakPolarHBondContact OD1-CB 3.42Å; D45-S47 PolarHBondContact OD1-N 2.85Å; D45-S47 PolarHBondContact OD1-OG 3.21Å; D45-S47 PolarHBondContact OD2-OG 3.04Å; D45-R48 HydrophobicContact CB-CB 4.49Å; D45-R48 HydrophobicContact CB-CG 4.4Å; D45-R48 WeakPolarHBondContact O-CB 3.21Å; D45-R48 PolarHBondContact O-N 3.21Å; D45-Q49 PolarHBondContact O-N 2.58Å
46P63.4Low57.1Low101 Ų101119.3 Ų119.366%0.65665%0.652SS**Hα-helixtrans-61.7-27.2-178.625.5-34.6000113.4R48 Q49 N50P46-R48 VanDerWaalsContact C-N 3.27Å; P46-R48 PolarHBondContact O-N 2.96Å; P46-Q49 PolarHBondContact O-N 2.83Å; P46-Q49 VanDerWaalsContact O-N 3.12Å; P46-N50 PolarHBondContact O-N 3.35Å; P46-N50 VanDerWaalsContact O-N 3.11Å
47S63.2Low57.9Low71 Ų71116.9 Ų116.950%0.49763%0.634SS.*Hα-helixtrans-66.9-28.1175.6760000112.8D45D45-S47 PolarHBondContact O-N 2.92Å; D45-S47 VanDerWaalsContact OD1-CB 3.24Å; D45-S47 WeakPolarHBondContact OD1-CB 3.42Å; D45-S47 PolarHBondContact OD1-N 2.85Å; D45-S47 PolarHBondContact OD1-OG 3.21Å; D45-S47 PolarHBondContact OD2-OG 3.04Å
48R59.5Low58.5Low129 Ų129114.3 Ų114.349%0.48762%0.616SS.*Hα-helixtrans-77.2-32.2170.2-75.6-180150-79.81.5112.1D45 P46 K51D45-R48 HydrophobicContact CB-CB 4.49Å; D45-R48 HydrophobicContact CB-CG 4.4Å; D45-R48 WeakPolarHBondContact O-CB 3.21Å; D45-R48 PolarHBondContact O-N 3.21Å; P46-R48 VanDerWaalsContact C-N 3.27Å; P46-R48 PolarHBondContact O-N 2.96Å; R48-K51 PolarHBondContact O-N 3Å
49Q60.9Low58.9Low116 Ų116115.6 Ų115.654%0.54261%0.609SS.*Hα-helixtrans-70.4-39.1-179.5-60.6-17026.800112.1A44 D45 P46 K51 R52A44-Q49 PolarHBondContact O-NE2 3.37Å; A44-Q49 VanDerWaalsContact O-NE2 3.11Å; D45-Q49 PolarHBondContact O-N 2.58Å; P46-Q49 PolarHBondContact O-N 2.83Å; P46-Q49 VanDerWaalsContact O-N 3.12Å; Q49-K51 PolarHBondContact O-N 3.26Å; Q49-R52 PolarHBondContact O-N 3.16Å
50N59Low59.2Low152 Ų152117 Ų11781%0.81361%0.605SS**THydrogen-bonded Turntrans-64.4-3.1175.5-16224000114.4P46P46-N50 PolarHBondContact O-N 3.35Å; P46-N50 VanDerWaalsContact O-N 3.11Å
51K59.9Low59.5Low184 Ų184115.3 Ų115.380%0.860%0.597SS**THydrogen-bonded Turntrans-114.67174.8-62.7-176-179.3-179.70113.3R48 Q49R48-K51 PolarHBondContact O-N 3Å; Q49-K51 PolarHBondContact O-N 3.26Å
52R62.5Low59.7Low205 Ų205116.8 Ų116.877%0.77460%0.604SS**PPolyproline II helixtrans-85.6117.8174-79.8-173.1159.8-162-5.4110.8Q49Q49-R52 PolarHBondContact O-N 3.16Å
53L61.3Low59.5Low109 Ų109116.9 Ų116.957%0.57161%0.61SS**PPolyproline II helixtrans-59.1139.4164.5-65.8175.2000109.8V55 V58L53-V55 PolarHBondContact O-N 2.81Å; L53-V58 HydrophobicContact CB-CG2 4.24Å
54P70.4Confident59.3Low80 Ų80119.7 Ų119.752%0.51961%0.613SS.*PPolyproline II helixtrans-50.7136.8175.9-29.734.4000112.7R56 I57 V58P54-R56 PolarHBondContact O-N 2.94Å; P54-I57 HydrophobicContact CB-CG1 4.47Å; P54-I57 HydrophobicContact CG-CD1 4.32Å; P54-I57 WeakPolarHBondContact O-CA 3.23Å; P54-I57 WeakPolarHBondContact O-CB 3.45Å; P54-I57 PolarHBondContact O-N 3.49Å; P54-V58 PolarHBondContact O-N 3.32Å
55V60.4Low59.1Low119 Ų119120.2 Ų120.272%0.72161%0.612SS**Hα-helixtrans-55.7-29.3-174.6-178.90000112.9L53 V58 K59L53-V55 PolarHBondContact O-N 2.81Å; V55-V58 PolarHBondContact O-N 3.43Å; V55-K59 WeakPolarHBondContact O-CB 3.18Å; V55-K59 PolarHBondContact O-N 2.78Å
56R58.2Low58.7Low222 Ų222120.8 Ų120.884%0.83863%0.628SS**Hα-helixtrans-62.1-40.7173.2-66.1179.8-179.5156.70.1112.8P54 K59 M60P54-R56 PolarHBondContact O-N 2.94Å; R56-K59 PolarHBondContact O-N 3.07Å; R56-M60 VanDerWaalsContact O-CG 3.26Å; R56-M60 WeakPolarHBondContact O-CG 3.45Å; R56-M60 PolarHBondContact O-N 3.49Å; R56-M60 VanDerWaalsContact O-N 3.16Å
57I58.4Low58.2Low80 Ų80124.6 Ų124.641%0.4164%0.637SS.*Hα-helixtrans-69.4-45.7177.9-63.9-177.7000109.8P54 K59 M60 L61P54-I57 HydrophobicContact CB-CG1 4.47Å; P54-I57 HydrophobicContact CG-CD1 4.32Å; P54-I57 WeakPolarHBondContact O-CA 3.23Å; P54-I57 WeakPolarHBondContact O-CB 3.45Å; P54-I57 PolarHBondContact O-N 3.49Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 3.2Å; I57-M60 PolarHBondContact O-N 3.22Å; I57-M60 VanDerWaalsContact O-N 3.11Å; I57-L61 HydrophobicContact CG2-CD1 3.73Å; I57-L61 PolarHBondContact O-N 3.48Å
58V58.1Low57.8Low70 Ų70128.9 Ų128.942%0.42465%0.654SS.*Hα-helixtrans-55.6-45.6174.5-177.60000110.6L53 P54 V55 M60 L61 T62L53-V58 HydrophobicContact CB-CG2 4.24Å; P54-V58 PolarHBondContact O-N 3.32Å; V55-V58 PolarHBondContact O-N 3.43Å; V58-M60 VanDerWaalsContact C-N 3.31Å; V58-M60 PolarHBondContact O-N 3.14Å; V58-L61 PolarHBondContact O-N 2.78Å; V58-T62 PolarHBondContact O-N 3.15Å; V58-T62 PolarHBondContact O-OG1 2.73Å; V58-T62 VanDerWaalsContact O-OG1 3.08Å
59K57.4Low57.4Low165 Ų165129.4 Ų129.472%0.71767%0.665SS**Hα-helixtrans-65.1-29.5179.5-164.3167.6-176.4175.80113.5V55 R56 I57 A63V55-K59 WeakPolarHBondContact O-CB 3.18Å; V55-K59 PolarHBondContact O-N 2.78Å; R56-K59 PolarHBondContact O-N 3.07Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 3.2Å; K59-A63 WeakPolarHBondContact O-CB 3.42Å; K59-A63 PolarHBondContact O-N 3.29Å
60M52.6Low56.5Low141 Ų141130.6 Ų130.670%0.69567%0.671SS**Hα-helixtrans-72.5-44.1172.3-62.2-119.3-62.500112.1R56 I57 V58 A63 H64R56-M60 VanDerWaalsContact O-CG 3.26Å; R56-M60 WeakPolarHBondContact O-CG 3.45Å; R56-M60 PolarHBondContact O-N 3.49Å; R56-M60 VanDerWaalsContact O-N 3.16Å; I57-M60 PolarHBondContact O-N 3.22Å; I57-M60 VanDerWaalsContact O-N 3.11Å; V58-M60 VanDerWaalsContact C-N 3.31Å; V58-M60 PolarHBondContact O-N 3.14Å; M60-A63 PolarHBondContact O-N 3.48Å; M60-H64 PolarHBondContact O-N 3.12Å; M60-H64 VanDerWaalsContact O-N 3.12Å
61L56.4Low56.4Low111 Ų111127.8 Ų127.858%0.58166%0.661SS**Hα-helixtrans-62.9-41.9176.2-87.5132.8000112I57 V58 A63 H64 S65I57-L61 HydrophobicContact CG2-CD1 3.73Å; I57-L61 PolarHBondContact O-N 3.48Å; V58-L61 PolarHBondContact O-N 2.78Å; L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A63 PolarHBondContact O-N 3.02Å; L61-H64 PolarHBondContact O-N 3.38Å; L61-S65 WeakPolarHBondContact O-CB 3.19Å; L61-S65 PolarHBondContact O-N 3.19Å
62T57.8Low56Low95 Ų95124.8 Ų124.858%0.58365%0.65SS**Hα-helixtrans-63.1-38.5174.2-55.20000112.1V58 S65V58-T62 PolarHBondContact O-N 3.15Å; V58-T62 PolarHBondContact O-OG1 2.73Å; V58-T62 VanDerWaalsContact O-OG1 3.08Å; T62-S65 PolarHBondContact O-N 3.49Å
63A54.4Low55.4Low78 Ų78124.6 Ų124.665%0.64565%0.65SS**Hα-helixtrans-63.8-42.6177.400000112.5K59 M60 L61K59-A63 WeakPolarHBondContact O-CB 3.42Å; K59-A63 PolarHBondContact O-N 3.29Å; M60-A63 PolarHBondContact O-N 3.48Å; L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A63 PolarHBondContact O-N 3.02Å
64H53.1Low54.8Low175 Ų175126.8 Ų126.881%0.8166%0.662SS**Hα-helixtrans-75.1-21.6176.7-100.6-77.7000114.4M60 L61 G66M60-H64 PolarHBondContact O-N 3.12Å; M60-H64 VanDerWaalsContact O-N 3.12Å; L61-H64 PolarHBondContact O-N 3.38Å; H64-G66 VanDerWaalsContact C-N 3.28Å; H64-G66 PolarHBondContact O-N 3.05Å
65S53.4Low53.7Low77 Ų77130.4 Ų130.454%0.53867%0.672SS.*G310 helixtrans-79.2-4.8177.9-167.40000114.4L61 T62 H67L61-S65 WeakPolarHBondContact O-CB 3.19Å; L61-S65 PolarHBondContact O-N 3.19Å; T62-S65 PolarHBondContact O-N 3.49Å; S65-H67 PolarHBondContact O-N 2.97Å
66G52.7Low53Low56 Ų56129.9 Ų129.958%0.57767%0.671SS**G310 helixtrans-75.9-13.9-173.900000116.2H64H64-G66 VanDerWaalsContact C-N 3.28Å; H64-G66 PolarHBondContact O-N 3.05Å
67H53Low52.2Low182 Ų182127.7 Ų127.784%0.84368%0.675SS**G310 helixtrans-99.36.4-171.2-149.2-54.2000114.6S65S65-H67 PolarHBondContact O-N 2.97Å
68L54.8Low51.3Low161 Ų161129.6 Ų129.684%0.84369%0.69SS**SBendtrans-120.1-0.4-179.3-70.3175.7000114.6
69L50.2Low50.6Low139 Ų139132.3 Ų132.373%0.72871%0.712SS**SBendtrans-137.8114.4177.2-67.1174.3000109.9
70H43.6Very low49.6Very low141 Ų141127.8 Ų127.865%0.65371%0.706SS**  trans-67.6121.6174.7-108-79.1000110.3E72 Y73H70-E72 IonicContact CE1-OE2 3.8Å; H70-E72 IonicContact CG-OE2 3.54Å; H70-E72 IonicContact ND1-OE2 2.72Å; H70-E72 PolarHBondContact ND1-OE2 3.15Å; H70-E72 PolarHBondContact O-N 3.1Å; H70-Y73 HydrophobicContact CB-CD2 3.73Å; H70-Y73 HydrophobicContact CB-CE2 3.89Å
71P55.4Low49.2Very low93 Ų93127.8 Ų127.860%0.60472%0.716SS**G310 helixtrans-67.6-20.7-177.326.8-34.6000113.8Y73 L74P71-Y73 PolarHBondContact O-N 3.35Å; P71-Y73 VanDerWaalsContact O-N 3.11Å; P71-L74 PolarHBondContact O-N 3.17Å; P71-L74 VanDerWaalsContact O-N 3.1Å
72E52.8Low48.5Very low122 Ų122128.3 Ų128.357%0.5772%0.724SS**G310 helixtrans-62.4-18.3-178.8-65.571.8-157.400113.4H70H70-E72 IonicContact CE1-OE2 3.8Å; H70-E72 IonicContact CG-OE2 3.54Å; H70-E72 IonicContact ND1-OE2 2.72Å; H70-E72 PolarHBondContact ND1-OE2 3.15Å; H70-E72 PolarHBondContact O-N 3.1Å
73Y49.2Very low48Very low200 Ų200129.1 Ų129.178%0.78473%0.734SS**G310 helixtrans-87.1-3.4177.3-66.2-73.4000114.7H70 P71H70-Y73 HydrophobicContact CB-CD2 3.73Å; H70-Y73 HydrophobicContact CB-CE2 3.89Å; P71-Y73 PolarHBondContact O-N 3.35Å; P71-Y73 VanDerWaalsContact O-N 3.11Å
74L48.1Very low47.7Very low155 Ų155131.9 Ų131.981%0.81274%0.736SS**G310 helixtrans-122.929179.3-70178.3000113.3P71 P76P71-L74 PolarHBondContact O-N 3.17Å; P71-L74 VanDerWaalsContact O-N 3.1Å; L74-P76 VanDerWaalsContact O-CD 3.32Å; L74-P76 WeakPolarHBondContact O-CD 3.45Å
75Q46.9Very low48Very low157 Ų157132.8 Ų132.873%0.73474%0.741SS**  trans-73.3118.9169.9-167169.617.700110.2L77Q75-L77 PolarHBondContact O-N 3.16Å
76P45.8Very low48.1Very low107 Ų107135.4 Ų135.470%0.69575%0.748SS**  trans-64.5136.9175.7-19.833.4000110.4L74 T78L74-P76 VanDerWaalsContact O-CD 3.32Å; L74-P76 WeakPolarHBondContact O-CD 3.45Å; P76-T78 PolarHBondContact O-N 3.38Å
77L41.8Very low48.3Very low177 Ų177137.4 Ų137.493%0.92775%0.745SS**  trans-62.6100.1178.3-69.5169000110.7Q75 S79Q75-L77 PolarHBondContact O-N 3.16Å; L77-S79 PolarHBondContact O-N 3.24Å
78T39.7Very low48.4Very low120 Ų120132.4 Ų132.474%0.73674%0.735SS**  trans-69.2110.7176.253.40000109.8P76 A80P76-T78 PolarHBondContact O-N 3.38Å; T78-A80 PolarHBondContact O-N 3.45Å
79S44.2Very low48.5Very low126 Ų126133 Ų13388%0.88173%0.731SS**  trans-70.291.5-175.955.90000112.4L77L77-S79 PolarHBondContact O-N 3.24Å
80A36Very low49.1Very low71 Ų71135.3 Ų135.359%0.58774%0.735SS**  trans-138.6132169.600000110T78 V82T78-A80 PolarHBondContact O-N 3.45Å; A80-V82 PolarHBondContact O-N 3.02Å
81P44.9Very low50.7Low140 Ų140131 Ų13191%0.90972%0.721SS**  trans-8281.3-175.533.3-35.2000111.5
82V42Very low52.1Low122 Ų122131.5 Ų131.574%0.73972%0.724SS**  trans-79.5121.4167.2-1780000108.8A80 I84A80-V82 PolarHBondContact O-N 3.02Å; V82-I84 PolarHBondContact O-N 2.61Å; V82-I84 VanDerWaalsContact O-N 3.08Å
83S45.3Very low53.5Low113 Ų113132.1 Ų132.179%0.7973%0.731SS**  trans-64.5103.9-176.949.80000112.1E85S83-E85 PolarHBondContact O-N 3.41Å; S83-E85 VanDerWaalsContact O-N 3.15Å
84I49.4Very low54.9Low136 Ų136124.2 Ų124.270%0.69771%0.707SS**  trans-82.986.4175-82.3174000109.9V82 L86V82-I84 PolarHBondContact O-N 2.61Å; V82-I84 VanDerWaalsContact O-N 3.08Å; I84-L86 HydrophobicContact CB-CD1 4.46Å; I84-L86 HydrophobicContact CB-CG 4.37Å; I84-L86 HydrophobicContact CD1-CD1 4.09Å; I84-L86 HydrophobicContact CG1-CD1 3.96Å; I84-L86 HydrophobicContact CG1-CG 4.19Å; I84-L86 HydrophobicContact CG2-CB 3.86Å; I84-L86 HydrophobicContact CG2-CD1 3.83Å; I84-L86 HydrophobicContact CG2-CG 3.79Å; I84-L86 PolarHBondContact O-N 2.86Å
85E58.3Low56.5Low194 Ų194121.9 Ų121.991%0.90769%0.694SS**  trans-8952.7156.1-163.9172.6-172.700109.1S83 D87S83-E85 PolarHBondContact O-N 3.41Å; S83-E85 VanDerWaalsContact O-N 3.15Å; E85-D87 PolarHBondContact O-N 3.43Å
86L57.2Low58.3Low132 Ų132119.4 Ų119.469%0.69169%0.686SS**  trans-80.5114.3179.3-70.2175.3000110.3I84 A88I84-L86 HydrophobicContact CB-CD1 4.46Å; I84-L86 HydrophobicContact CB-CG 4.37Å; I84-L86 HydrophobicContact CD1-CD1 4.09Å; I84-L86 HydrophobicContact CG1-CD1 3.96Å; I84-L86 HydrophobicContact CG1-CG 4.19Å; I84-L86 HydrophobicContact CG2-CB 3.86Å; I84-L86 HydrophobicContact CG2-CD1 3.83Å; I84-L86 HydrophobicContact CG2-CG 3.79Å; I84-L86 PolarHBondContact O-N 2.86Å; L86-A88 PolarHBondContact O-N 3.36Å
87D55.9Low59.9Low98 Ų98117.4 Ų117.452%0.52468%0.678SS.*  trans-41.1104.3-177.4-171.527.5000114.2E85 K89 K90E85-D87 PolarHBondContact O-N 3.43Å; D87-K89 PolarHBondContact O-N 3.25Å; D87-K89 WeakPolarHBondContact OD1-CE 3.5Å; D87-K89 WeakPolarHBondContact OD1-CG 3.33Å; D87-K89 WeakPolarHBondContact OD2-CE 3.48Å; D87-K89 WeakPolarHBondContact OD2-CG 3.22Å; D87-K90 PolarHBondContact O-N 3.25Å; D87-K90 VanDerWaalsContact O-N 3.16Å
88A55.6Low61.6Low76 Ų76115 Ų11563%0.62866%0.662SS**THydrogen-bonded Turntrans-63.6-12.2-167.200000114.6L86 A94L86-A88 PolarHBondContact O-N 3.36Å; A88-A94 WeakPolarHBondContact O-CB 3.4Å
89K55.8Low63.3Low174 Ų174112.3 Ų112.376%0.75765%0.645SS**THydrogen-bonded Turntrans-85.54.7178.446.6180169.2-179.30114.6D87D87-K89 PolarHBondContact O-N 3.25Å; D87-K89 WeakPolarHBondContact OD1-CE 3.5Å; D87-K89 WeakPolarHBondContact OD1-CG 3.33Å; D87-K89 WeakPolarHBondContact OD2-CE 3.48Å; D87-K89 WeakPolarHBondContact OD2-CG 3.22Å
90K63.7Low64.9Low187 Ų187110.5 Ų110.581%0.81363%0.632SS**SBendtrans-135.411.2173.7-152.4148.6-176174.10116.8D87D87-K90 PolarHBondContact O-N 3.25Å; D87-K90 VanDerWaalsContact O-N 3.16Å
91S77.3Confident66.8Low52 Ų52110 Ų11036%0.36462%0.624SS.*  trans-71.8133.1167.6171.90000110.9L93 A94 L95S91-L93 PolarHBondContact O-N 2.86Å; S91-L93 PolarHBondContact OG-N 3.35Å; S91-A94 WeakPolarHBondContact O-CB 3.45Å; S91-A94 PolarHBondContact O-N 2.84Å; S91-L95 PolarHBondContact O-N 3.45Å
92P83.6Confident67.8Low102 Ų102109.4 Ų109.466%0.66261%0.609SS**Hα-helixtrans-56.6-33.2172.5-25.334.6000112.9L95 L96P92-L95 PolarHBondContact O-N 2.8Å; P92-L96 WeakPolarHBondContact O-CG 3.32Å; P92-L96 PolarHBondContact O-N 2.96Å
93L82.5Confident69Low136 Ų136110.5 Ų110.571%0.71261%0.61SS**Hα-helixtrans-70.7-35177.5-148.275.6000111.8S91 A97S91-L93 PolarHBondContact O-N 2.86Å; S91-L93 PolarHBondContact OG-N 3.35Å; L93-A97 PolarHBondContact O-N 3.14Å
94A79.6Confident69.6Low33 Ų33108.3 Ų108.327%0.27360%0.604SS.*Hα-helixtrans-72-35.9174.100000111.9A88 S91 A97 Q98A88-A94 WeakPolarHBondContact O-CB 3.4Å; S91-A94 WeakPolarHBondContact O-CB 3.45Å; S91-A94 PolarHBondContact O-N 2.84Å; A94-A97 PolarHBondContact O-N 3.02Å; A94-Q98 WeakPolarHBondContact O-CB 3.4Å; A94-Q98 PolarHBondContact O-N 2.95Å
95L82Confident69.9Low106 Ų106107.2 Ų107.256%0.55560%0.595SS**Hα-helixtrans-63-42173.1-177.261.9000111.5S91 P92 Q98 T99S91-L95 PolarHBondContact O-N 3.45Å; P92-L95 PolarHBondContact O-N 2.8Å; L95-Q98 PolarHBondContact O-N 2.93Å; L95-T99 PolarHBondContact O-N 3.16Å; L95-T99 PolarHBondContact O-OG1 2.97Å
96L83.9Confident69.5Low106 Ų106103.9 Ų103.956%0.55559%0.59SS**Hα-helixtrans-62.8-42.7172.4-71.4169.1000112.1P92 Q98 T99 C100P92-L96 WeakPolarHBondContact O-CG 3.32Å; P92-L96 PolarHBondContact O-N 2.96Å; L96-Q98 VanDerWaalsContact C-N 3.29Å; L96-Q98 PolarHBondContact O-N 3.16Å; L96-T99 PolarHBondContact O-N 2.84Å; L96-T99 PolarHBondContact O-OG1 2.83Å; L96-T99 VanDerWaalsContact O-OG1 3.1Å; L96-C100 WeakPolarHBondContact O-CB 3.42Å; L96-C100 PolarHBondContact O-N 2.84Å; L96-C100 PolarHBondContact O-SG 2.94Å
97A79.6Confident69Low64 Ų64105.1 Ų105.153%0.52960%0.597SS.*Hα-helixtrans-62.6-36.8174.200000112.3L93 A94 S101L93-A97 PolarHBondContact O-N 3.14Å; A94-A97 PolarHBondContact O-N 3.02Å; A97-S101 VanDerWaalsContact O-CB 3.31Å; A97-S101 WeakPolarHBondContact O-CB 3.27Å; A97-S101 PolarHBondContact O-N 3.25Å
98Q76.7Confident69.2Low126 Ų126105.5 Ų105.559%0.58961%0.605SS**Hα-helixtrans-69.4-44.6177.6-175.9176.5-9.900112.2A94 L95 L96 S101 Q102A94-Q98 WeakPolarHBondContact O-CB 3.4Å; A94-Q98 PolarHBondContact O-N 2.95Å; L95-Q98 PolarHBondContact O-N 2.93Å; L96-Q98 VanDerWaalsContact C-N 3.29Å; L96-Q98 PolarHBondContact O-N 3.16Å; Q98-S101 WeakPolarHBondContact O-CB 3.47Å; Q98-S101 PolarHBondContact O-N 3.26Å; Q98-Q102 PolarHBondContact O-N 3.16Å
99T76.3Confident68.6Low64 Ų64107.9 Ų107.939%0.39361%0.614SS.*Hα-helixtrans-65.5-43176.654.20000111.4L95 L96 S101 Q102 I103L95-T99 PolarHBondContact O-N 3.16Å; L95-T99 PolarHBondContact O-OG1 2.97Å; L96-T99 PolarHBondContact O-N 2.84Å; L96-T99 PolarHBondContact O-OG1 2.83Å; L96-T99 VanDerWaalsContact O-OG1 3.1Å; T99-S101 VanDerWaalsContact C-N 3.28Å; T99-S101 PolarHBondContact O-N 3.25Å; T99-Q102 WeakPolarHBondContact O-CB 3.36Å; T99-Q102 PolarHBondContact O-N 2.83Å; T99-I103 WeakPolarHBondContact O-CD1 3.47Å; T99-I103 WeakPolarHBondContact O-CG1 3.42Å; T99-I103 PolarHBondContact O-N 3.15Å; T99-I103 VanDerWaalsContact O-N 3.09Å
100C78.2Confident68Low89 Ų89105.6 Ų105.660%0.60162%0.62SS**Hα-helixtrans-58.4-38.2171-71.40000112.6L96 Q102L96-C100 WeakPolarHBondContact O-CB 3.42Å; L96-C100 PolarHBondContact O-N 2.84Å; L96-C100 PolarHBondContact O-SG 2.94Å; C100-Q102 VanDerWaalsContact C-N 3.29Å; C100-Q102 PolarHBondContact O-N 2.84Å
101S75.9Confident66.7Low61 Ų61102.4 Ų102.443%0.42762%0.621SS.*Hα-helixtrans-69-25174.5-168.60000113.1A97 Q98 T99 K105A97-S101 VanDerWaalsContact O-CB 3.31Å; A97-S101 WeakPolarHBondContact O-CB 3.27Å; A97-S101 PolarHBondContact O-N 3.25Å; Q98-S101 WeakPolarHBondContact O-CB 3.47Å; Q98-S101 PolarHBondContact O-N 3.26Å; T99-S101 VanDerWaalsContact C-N 3.28Å; T99-S101 PolarHBondContact O-N 3.25Å; S101-K105 WeakPolarHBondContact O-CD 3.45Å; S101-K105 WeakPolarHBondContact O-CE 3.31Å; S101-K105 PolarHBondContact O-NZ 3.17Å; S101-K105 PolarHBondContact OG-NZ 3.38Å
102Q65.1Low65Low126 Ų126104.8 Ų104.859%0.58964%0.638SS**Hα-helixtrans-81.5-36.3179.3-156.866.98.300112.1Q98 T99 C100 G104Q98-Q102 PolarHBondContact O-N 3.16Å; T99-Q102 WeakPolarHBondContact O-CB 3.36Å; T99-Q102 PolarHBondContact O-N 2.83Å; C100-Q102 VanDerWaalsContact C-N 3.29Å; C100-Q102 PolarHBondContact O-N 2.84Å; Q102-G104 PolarHBondContact O-N 3Å
103I66.9Low63Low146 Ų146108.7 Ų108.775%0.74964%0.644SS**Hα-helixtrans-69.8-16.5-177.5-67.3161.7000112.8T99T99-I103 WeakPolarHBondContact O-CD1 3.47Å; T99-I103 WeakPolarHBondContact O-CG1 3.42Å; T99-I103 PolarHBondContact O-N 3.15Å; T99-I103 VanDerWaalsContact O-N 3.09Å
104G57.2Low61.1Low66 Ų66110.2 Ų110.268%0.6865%0.652SS**THydrogen-bonded Turntrans-101.58.7-178.100000116.7Q102Q102-G104 PolarHBondContact O-N 3Å
105K56.5Low58.9Low114 Ų114113.6 Ų113.650%0.49668%0.68SS.*SBendtrans-110.6132-177.3-66.5171.8-173124.30110.7S101S101-K105 WeakPolarHBondContact O-CD 3.45Å; S101-K105 WeakPolarHBondContact O-CE 3.31Å; S101-K105 PolarHBondContact O-NZ 3.17Å; S101-K105 PolarHBondContact OG-NZ 3.38Å
106P50.7Low56.7Low124 Ų124113.8 Ų113.881%0.80569%0.69SS**PPolyproline II helixtrans-69.5142.8169.230.4-33.6000110.2
107D46.1Very low54.5Low158 Ų158116.9 Ų116.985%0.84571%0.707SS**PPolyproline II helixtrans-61.8138.4175.9-93.8-42.2000111.7
108P59.1Low52.2Low106 Ų106120 Ų12069%0.68873%0.725SS**PPolyproline II helixtrans-68.8140.4162.731.2-32.5000109.4S110P108-S110 PolarHBondContact O-N 3.27Å
109P43.6Very low50.1Low126 Ų126119.3 Ų119.382%0.81873%0.734SS**PPolyproline II helixtrans-64.4131.1-177.426.1-34.2000111.3S111P109-S111 PolarHBondContact O-N 3.41Å
110S44.2Very low48Very low126 Ų126119.8 Ų119.888%0.88175%0.751SS**PPolyproline II helixtrans-61.4120.1177.9-175.60000111.2P108P108-S110 PolarHBondContact O-N 3.27Å
111S36.8Very low45.8Very low120 Ų120120.8 Ų120.884%0.83976%0.759SS**  trans-132.1109.9170.4-173.40000109.2P109P109-S111 PolarHBondContact O-N 3.41Å
112S39.9Very low44Very low101 Ų101125.9 Ų125.971%0.70678%0.781SS**  trans-110.5110.3-179.5177.80000110.1
113K42.5Very low42.4Very low185 Ų185123.1 Ų123.180%0.80479%0.786SS**  trans170.5142.6134.4-95.8161.5-174.6-179.80113.8
114L43.1Very low40.6Very low167 Ų167123.2 Ų123.287%0.87479%0.788SS**  trans61.199.1153.5-59.9171.4000119.5
115A32.4Very low39.5Very low104 Ų104129.1 Ų129.186%0.8680%0.795SS**  -163.9132.8125.800000109.5
116S35.3Very low38.3Very low110 Ų110132.3 Ų132.377%0.76981%0.812SS**  trans-131.7138.5-177.7-62.30000111
117L38.4Very low37.6Very low171 Ų171131.3 Ų131.390%0.89581%0.807SS**  trans56.7116.9159.9-56.9169.6000118.3
118S30.8Very low37.1Very low130 Ų130129.8 Ų129.891%0.90981%0.809SS**  -167.3178.2117.7-134.80000112.9
119S34Very low35.7Very low112 Ų112128.4 Ų128.478%0.78382%0.815SS**  trans-129148.4-159.558.20000116.3
120G32.1Very low35.3Very low73 Ų73134.4 Ų134.475%0.75382%0.821SS**  trans89.3174.3139.600000119.2
121S30.5Very low34.7Very low111 Ų111133.5 Ų133.578%0.77682%0.815SS**  trans66.9122-174.2-1490000114
122L38.1Very low34.3Very low168 Ų168132.5 Ų132.588%0.8881%0.807SS**  71.2121.350.6-64.2172000114.3
123G31.8Very low33.9Very low67 Ų67137.1 Ų137.169%0.69182%0.815SS**  trans81.4159.816800000116.3
124D30.7Very low33.2Very low148 Ų148135.5 Ų135.579%0.79182%0.821SS**  cis-163.9178.7-37.544.8-103.1000109.4
125K34.2Very low32.5Very low190 Ų190130.6 Ų130.683%0.82681%0.811SS**  trans66.5110.5163.7-101.4174.4177.1173.40121.5
126E30.2Very low32.4Very low182 Ų182134.3 Ų134.385%0.8581%0.81SS**  -10.3138.8117.2174.8166.88500115.5
127S35.1Very low32.2Very low102 Ų102135.7 Ų135.771%0.71380%0.804SS**  cis-161.2155.944.441.90000116.3
128S35.9Very low32Very low126 Ų126135 Ų13588%0.88180%0.796SS**  trans13.6134.5131.5-162.40000120.8
129G29.6Very low32.3Very low78 Ų78136.4 Ų136.480%0.80479%0.788SS**  trans-172.8124.2163.700000114
130R35.8Very low32.2Very low251 Ų251136.2 Ų136.295%0.94779%0.787SS**  trans-112.6151.1172-82.1-178.1167.1-169.7-2.2110.6
131S30.9Very low32.5Very low108 Ų108139.5 Ų139.576%0.75579%0.787SS**  trans121.7147131.1-163.60000119.3
132S29.9Very low32.7Very low98 Ų98141.3 Ų141.369%0.68579%0.787SS**  trans72.599.4148.125.70000122.5
133K30.9Very low32.6Very low199 Ų199140.3 Ų140.387%0.86578%0.783SS**  27.8123.9122.1-64.5-179.4173.9-176.90120.4
134T27.7Very low33.5Very low151 Ų151146.7 Ų146.793%0.92679%0.792SS**  168.4145.3112.737.30000108.6
135G29.1Very low34Very low64 Ų64144.7 Ų144.766%0.6679%0.789SS**  cis177.5174.2-4.900000110.6
136E28.9Very low34.5Very low182 Ų182140.2 Ų140.285%0.8578%0.782SS**  trans68.4147.3158.7-62.8-173.5114.100119.8
137Q32.1Very low34.8Very low139 Ų139140.8 Ų140.865%0.6578%0.782SS**  cis-164.8128.1-18.6178.3-177.9106.600111.5
138H34.4Very low35.6Very low155 Ų155144.7 Ų144.772%0.71879%0.786SS**  trans158.5125155.1-104.8-101.3000107.1
139Q36.5Very low35.9Very low161 Ų161143.7 Ų143.775%0.75278%0.776SS**  63.2126.957.8-62.1-173.49.300112.9
140S30.9Very low36.4Very low107 Ų107150.3 Ų150.375%0.74878%0.779SS**  cis-150.5147.88.169.80000110
141L38.2Very low36.3Very low143 Ų143144.1 Ų144.175%0.74977%0.774SS**  97.6114.588.2-176.1145.5000115.2
142D35.4Very low36.8Very low148 Ų148148.8 Ų148.879%0.79178%0.78SS**  trans57.8143.8147.7-58.2-16.1000127.3
143D37.1Very low37Very low148 Ų148149.8 Ų149.879%0.79179%0.787SS**  trans90.3138.5141.5-144.6-131.7000124.2
144K49.3Very low37Very low201 Ų201146 Ų14687%0.87479%0.786SS**  trans-97.5100.4179.8-65.3162.7178.4164.60109.8
145S40.8Very low37.4Very low106 Ų106143.5 Ų143.574%0.74178%0.775SS**  trans-137.5127.9170.3-1600000115.5
146S45.7Very low37.6Very low96 Ų96147.6 Ų147.667%0.67178%0.782SS**  trans23.5116.1145.9177.30000119.2
147F37.4Very low37.8Very low193 Ų193143.4 Ų143.485%0.84677%0.771SS**  trans-136.1128139.7-132.6-91.1000112.9
148K50.7Low38.2Very low185 Ų185148.2 Ų148.280%0.80478%0.784SS**  trans-119.7122.1169-69.4173.4178.3172.50107.3
149P43.6Very low38.4Very low104 Ų104149.9 Ų149.968%0.67579%0.788SS**  trans-81.4122.7177.230.2-31.5000111.8
150Y38.3Very low38.2Very low218 Ų218149.1 Ų149.186%0.85579%0.79SS**  trans62.791.7160.9-55.9-68000119.7
151S35.3Very low38.4Very low120 Ų120150.3 Ų150.384%0.83979%0.792SS**  trans-60.1152.1135.346.40000111.1
152K39.9Very low38.3Very low206 Ų206150.5 Ų150.590%0.89679%0.793SS**  trans-131.4126162.2-170.2165.6-175.6172.70108.7
153S34.1Very low38.3Very low119 Ų119149.1 Ų149.183%0.83279%0.79SS**  trans-91.8140.8-173.940.20000112.3
154S32.3Very low38.1Very low120 Ų120148.7 Ų148.784%0.83979%0.793SS**  trans-154.9152.2143.3-158.40000110.1
155S34.4Very low37.4Very low98 Ų98148.7 Ų148.769%0.68579%0.793SS**  trans-73.2146.3-175.5500000114.5
156D34.7Very low36.9Very low151 Ų151147.2 Ų147.281%0.80779%0.794SS**  -155.4-179.3103-155.2-103000111
157C33.5Very low36.4Very low93 Ų93147.1 Ų147.163%0.62880%0.799SS**  trans-137143.6-161.5-680000113.8
158R38.8Very low36.3Very low241 Ų241143.4 Ų143.491%0.90980%0.797SS**  157.9153.5125.2-83.3154.6-165.8-85.31.2114
159K39.2Very low35.5Very low189 Ų189141.3 Ų141.382%0.82280%0.795SS**  trans91.559152-139.2171.9-172.8179.70120.8
160D31.9Very low35.5Very low145 Ų145145.1 Ų145.178%0.77580%0.801SS**  49.8158110-58.5-82.1000123.8
161V36.1Very low35.4Very low132 Ų132139.6 Ų139.680%0.880%0.8SS**  trans87.391166.4-168.70000115.9
162L35.2Very low35.2Very low148 Ų148138 Ų13878%0.77579%0.794SS**  90.399.179.2-165.674.2000113.1
163V35.1Very low34.9Very low118 Ų118134.7 Ų134.772%0.71579%0.785SS**  59122.8100-177.90000112.9
164T33.8Very low35.3Very low139 Ų139140 Ų14085%0.85379%0.787SS**  -161-177.168.5-33.50000114.1
165K33.7Very low35.5Very low201 Ų201140.6 Ų140.687%0.87479%0.786SS**  trans-107.2144.8-170.4163.5-167176.7-172.60113
166G31.1Very low35.9Very low75 Ų75142 Ų14277%0.77379%0.793SS**  trans157.2124.616600000111.3
167A35.6Very low35.9Very low94 Ų94141.7 Ų141.778%0.77779%0.791SS**  cis9797.416.100000116.1
168S34.9Very low35.8Very low115 Ų115140.5 Ų140.580%0.80479%0.794SS**  trans63159.9168.4-97.80000117.7
169D34.6Very low35.7Very low141 Ų141133.4 Ų133.475%0.75478%0.782SS**  cis-139.8-159.84.3-142.9-78.6000113.4
170K42.3Very low35.4Very low185 Ų185129.5 Ų129.580%0.80478%0.778SS**  trans-100.7152.9-162.4-65.8-168.2176.4-1710117.2
171A37.5Very low35.7Very low101 Ų101127.9 Ų127.984%0.83578%0.778SS**  trans63.3136.515300000117
172A30.8Very low35.6Very low87 Ų87125.6 Ų125.672%0.71978%0.782SS**  cis-171.4-173.64700000112.7
173L34.1Very low35.6Very low136 Ų136122 Ų12271%0.71278%0.781SS**  trans80.3110.7159.2-56.1-176000121.3
174R42.8Very low35.5Very low230 Ų230124.9 Ų124.987%0.86879%0.792SS**  trans77.6140136.3-65.8-176.4178.31230.5120.9
175V36.4Very low35.5Very low134 Ų134122.9 Ų122.981%0.81279%0.789SS**PPolyproline II helixtrans-101.6155.2175.4-151.90000109.3
176P42.5Very low35.5Very low128 Ų128119 Ų11983%0.83179%0.788SS**PPolyproline II helixtrans-96.3123.9145.9-9.328.1000110.6
177N33.3Very low35.5Very low143 Ų143120.9 Ų120.977%0.76579%0.787SS**PPolyproline II helixtrans-94.3149.7171.1171.552.1000111.1S179N177-S179 PolarHBondContact ND2-OG 2.91Å; N177-S179 PolarHBondContact OD1-OG 3.21Å; N177-S179 VanDerWaalsContact OD1-OG 3.06Å
178G32.8Very low36Very low68 Ų68122 Ų12270%0.70179%0.787SS**  trans169.176.4175.100000109.5
179S35.3Very low35.7Very low92 Ų92122 Ų12264%0.64379%0.787SS**  53.2116.873.7-54.10000111N177N177-S179 PolarHBondContact ND2-OG 2.91Å; N177-S179 PolarHBondContact OD1-OG 3.21Å; N177-S179 VanDerWaalsContact OD1-OG 3.06Å
180S34.3Very low35.6Very low107 Ų107124.9 Ų124.975%0.74879%0.793SS**  -157.1170.360.152.10000114.9
181S37.9Very low35.2Very low112 Ų112121.9 Ų121.978%0.78379%0.792SS**  trans43.8124.1155.653.30000119.7
182G33.7Very low34.7Very low84 Ų84122 Ų12287%0.86679%0.787SS**  cis101.7105.413.800000111.9
183G35Very low34.8Very low73 Ų73126.2 Ų126.275%0.75379%0.791SS**  trans148.197.6178.600000112.6
184N32.3Very low34.5Very low178 Ų178125.3 Ų125.395%0.95280%0.797SS**  trans-78.5126.5177-72.415.3000110.6
185A35.5Very low33.8Very low96 Ų96125.2 Ų125.279%0.79380%0.796SS**  trans-145.4142.1171.900000112.2
186S32.1Very low33.6Very low121 Ų121123.9 Ų123.985%0.84679%0.792SS**  trans68.6139.7168.4-1560000120.2
187C31.3Very low33.5Very low113 Ų113123.7 Ų123.776%0.76479%0.792SS**  trans-81.2-168.5159.4-49.40000108.9
188P46.3Very low33.3Very low118 Ų118124.4 Ų124.477%0.76680%0.795SS**  cis-141.7-179.36.243.7-25.1000117.1
189S28.5Very low33.3Very low115 Ų115125.3 Ų125.380%0.80479%0.791SS**  trans-160.4163.2149.6-89.20000112.8
190F32.5Very low33.1Very low202 Ų202126.6 Ų126.689%0.88680%0.8SS**  trans-80.2149.1-159.8-53.5-95.2000115.5
191P35.3Very low32.9Very low122 Ų122126.9 Ų126.979%0.79280%0.802SS**  trans-105.4152.816838.1-31000113.5
192S26.8Very low32.6Very low103 Ų103126.9 Ų126.972%0.7280%0.802SS**  trans-140118.9168.5-84.40000112.7
193H32.1Very low33Very low176 Ų176129 Ų12982%0.81580%0.801SS**  trans46.4117.7155.3-47.6-65000121.5
194S28.7Very low33.2Very low117 Ų117133.4 Ų133.482%0.81881%0.806SS**  168.4136.2105.250.20000114.3
195R28.3Very low33.6Very low228 Ų228131.2 Ų131.286%0.8680%0.801SS**  trans166117.5133.3-93.3-179.378.1-1435.2113.9
196S30.9Very low33.3Very low105 Ų105134.5 Ų134.573%0.73480%0.8SS**  55.7150.8129.7-50.50000123.4
197P41.4Very low33.2Very low125 Ų125137.6 Ų137.681%0.81279%0.793SS**  trans-116.5179.2-168.144.3-33.6000115.5
198N29.4Very low33.2Very low158 Ų158140.5 Ų140.585%0.84580%0.795SS**  trans-166.7152.2165.1-147.336.3000109.3
199S31.2Very low32.4Very low86 Ų86138.1 Ų138.160%0.60178%0.782SS**  cis-171.4161.2-35.6-91.70000109.2
200S31.8Very low32.4Very low119 Ų119142.2 Ų142.283%0.83279%0.788SS**  trans61.6154.8169.338.60000117.7
201S29.2Very low32.3Very low114 Ų114137.9 Ų137.980%0.79778%0.783SS**  cis-164.6171.1-12.246.20000111.2
202S33Very low32.5Very low112 Ų112138.5 Ų138.578%0.78379%0.787SS**  trans-54.4163.8177.6-35.40000115.7
203P41.8Very low32.6Very low129 Ų129138.4 Ų138.484%0.83879%0.786SS**  -152-16675.442.4-21.4000117.7
204L38.2Very low32.6Very low164 Ų164136.9 Ų136.986%0.85978%0.782SS**  trans-72.4169.1-173.6-59.9155.8000116.2
205P41.1Very low32.9Very low133 Ų133139.4 Ų139.486%0.86478%0.781SS**  trans-138.2176.613439.4-27.3000115.1
206H28.8Very low34Very low165 Ų165133.8 Ų133.876%0.76477%0.774SS**  trans-143.2137.9-175.2-178.858.9000114.1
207R30Very low34.8Very low185 Ų185134.5 Ų134.570%0.69878%0.776SS**  trans61.2127.3154.5-121.1-171-165.2-71.6-5.1122.8
208Q32.2Very low34.1Very low174 Ų174133.1 Ų133.181%0.81377%0.77SS**  163.4153.1116.9-94.4178.1-18.500108.2
209S28.8Very low34.1Very low69 Ų69133.8 Ų133.848%0.48377%0.767SS.*  cis165.7140-19.749.30000106
210H29.8Very low34.1Very low200 Ų200133.8 Ų133.893%0.92677%0.768SS**  trans-172.2168154.8-92.4-51.3000111.8
211S29.2Very low34.1Very low112 Ų112137.2 Ų137.278%0.78377%0.77SS**  trans-116.8175.3-164.4-44.30000114.3
212P39.9Very low34.1Very low135 Ų135137.8 Ų137.888%0.87777%0.769SS**  -143.3-163.2110.338.9-23.3000114.8
213S28.3Very low34.6Very low101 Ų101138 Ų13871%0.70677%0.768SS**  trans-155.1139.9-157.1-167.30000116.4
214I32.3Very low34Very low143 Ų143139 Ų13973%0.73376%0.761SS**  trans48.4134.1136.6-64.8178.1000120.7
215Q35.6Very low33.7Very low171 Ų171136.6 Ų136.680%0.79975%0.753SS**  cis-155.8-67.6-7.5-120.7-177.8-27.300118.2
216P51.4Low33.2Very low109 Ų109136.9 Ų136.971%0.70875%0.747SS**  trans-131.3-176.3-140.843.4-27.7000115.9
217P46.7Very low33.4Very low120 Ų120134.1 Ų134.178%0.77975%0.747SS**  cis-126.6-154.61.943.4-24.6000112.3
218S26.8Very low33.7Very low97 Ų97134.4 Ų134.468%0.67875%0.753SS**  cis-162.6165.10.2-138.80000114.2
219H30.4Very low34.4Very low171 Ų171130.5 Ų130.579%0.79274%0.743SS**  trans9.4147.1135.5-89.2-90000122.2
220S29.8Very low34.4Very low87 Ų87134.7 Ų134.761%0.60876%0.755SS**  cis-160.31787.5-52.90000114.1
221Q32.7Very low34.6Very low190 Ų190132.5 Ų132.589%0.88875%0.745SS**  trans87.7107.2147-76.5174.6116.300121.4
222T29.3Very low34.6Very low127 Ų127131.1 Ų131.178%0.77974%0.741SS**  trans-74.5178.5141.3470000110.2
223P42.7Very low34.2Very low115 Ų115129.6 Ų129.675%0.74773%0.733SS**  cis-121.3-155.511.831.7-6.1000111.8
224H29.2Very low34.6Very low152 Ų152129.7 Ų129.770%0.70473%0.733SS**  cis-171.9146.126.6-176-108.1000111.7
225T32.5Very low34.4Very low112 Ų112130.3 Ų130.369%0.68774%0.739SS**  trans57.3155164.3460000119
226D30.6Very low34.4Very low139 Ų139129.8 Ų129.874%0.74374%0.741SS**  cis-163.7179.9-21.4-178.8-112.3000107.9
227S33.6Very low33.6Very low107 Ų107129.4 Ų129.475%0.74874%0.741SS**  trans92.1142154.3-74.90000118.2
228K36.2Very low33.1Very low192 Ų192129.4 Ų129.484%0.83574%0.744SS**  trans-152.2159.5-160.4151.5-172.1175.4-172.80104.3
229P46.4Very low33.5Very low92 Ų92131.8 Ų131.860%0.59775%0.749SS**  cis-138.4-165.817.824.92.9000115.1
230E28.3Very low34Very low156 Ų156129.2 Ų129.273%0.72975%0.745SS**  trans71.6155.6153.6-51.8-139.58600117
231Q34.7Very low34.2Very low154 Ų154129.9 Ų129.972%0.7276%0.756SS**  cis-149.4-170.3-2.1-136.7165.241.100111.7
232A30.2Very low34.1Very low84 Ų84124 Ų12469%0.69475%0.747SS**  trans-18.1157.7154.600000118.9
233S30.8Very low34.3Very low102 Ų102128 Ų12871%0.71375%0.753SS**  cis-177.3-168.8-9.756.60000109.3
234S35.9Very low33.9Very low103 Ų103130.6 Ų130.672%0.7275%0.753SS**  trans83.2120.8152-51.40000118.8
235D29.3Very low33.9Very low157 Ų157129.1 Ų129.184%0.8475%0.75SS**  trans-48.6153.7158-42.8-103.9000113.5
236N34.8Very low34.1Very low160 Ų160128.9 Ų128.986%0.85675%0.753SS**  -152.9159.7109.5-148.6-13.1000112.2
237S35.7Very low34.1Very low101 Ų101129 Ų12971%0.70675%0.753SS**  trans-88-174.8174.3-69.10000112.5
238S35.5Very low34.2Very low120 Ų120129 Ų12984%0.83975%0.749SS**  trans98.9148.8161.681.40000117.2
239N35Very low34Very low147 Ų147126.1 Ų126.179%0.78675%0.747SS**  cis-171.3173.7-28.5-1709.2000107.6
240V40.1Very low33.5Very low117 Ų117130.8 Ų130.871%0.70976%0.758SS**  trans70126.5166.2-170.90000114.6
241A34.2Very low34.3Very low100 Ų100129.4 Ų129.483%0.82676%0.763SS**  cis102.8112.117.400000116.4
242G31.8Very low33.9Very low68 Ų68124.8 Ų124.870%0.70176%0.756SS**  trans177.1137.4171.800000107.5
243K32.5Very low34.1Very low209 Ų209127 Ų12791%0.90976%0.761SS**  cis57.5133.830.5-64-177.4176.6176.70112.7
244K34.4Very low34Very low171 Ų171129.8 Ų129.874%0.74377%0.768SS**  cis-173141.7-5.7167-178.1164.2-170.30103.8
245D29.5Very low33.7Very low121 Ų121128.6 Ų128.665%0.64777%0.772SS**  178-167.866.2-147.6174.5000112.3
246S36.1Very low34Very low107 Ų107126.1 Ų126.175%0.74877%0.773SS**  trans88.6139148.5-58.90000119.5
247D31.5Very low34Very low141 Ų141126.3 Ų126.375%0.75477%0.769SS**  cis-158.9165.6-26.1-164-150.2000110.9
248V35.5Very low33.9Very low107 Ų107128.2 Ų128.265%0.64877%0.77SS**  trans28.3125.1153.51630000118.9
249T32.5Very low33.7Very low132 Ų132126.8 Ų126.881%0.8177%0.765SS**  -158.4155.263.7-24.40000114
250K35.2Very low33.5Very low189 Ų189127.1 Ų127.182%0.82277%0.767SS**  trans-105.9-178.9161.6-109.9-174.9177.3-178.50109.1
251P44.8Very low33.4Very low128 Ų128126.4 Ų126.483%0.83177%0.767SS**  cis-125.1-172.411.842-24.4000113.1
252G26Very low33.6Very low56 Ų56125.6 Ų125.658%0.57776%0.756SS**  cis175.8-169.3-0.200000112.2
253V35.7Very low33.8Very low132 Ų132130.9 Ų130.980%0.876%0.762SS**  trans62115.1179.3-44.90000115.6
254D28.9Very low33.9Very low160 Ų160126.3 Ų126.386%0.85675%0.751SS**  65.912879-61-60.3000113.6
255G29.3Very low33.8Very low77 Ų77128.5 Ų128.579%0.79476%0.755SS**  cis-159.8-172.12.800000112.6
256A35.7Very low33.7Very low105 Ų105126.9 Ų126.987%0.86876%0.758SS**  trans-104.6172.3-167.800000115.1
257H33.2Very low33.3Very low165 Ų165127.3 Ų127.376%0.76476%0.761SS**  trans128.7107137-162.7-92.2000117.9
258L33.7Very low33.2Very low141 Ų141125.3 Ų125.374%0.73876%0.764SS**  trans30.7127.9141.3-78.1159.9000122.9
259A32.8Very low32.7Very low89 Ų89127.5 Ų127.574%0.73677%0.772SS**  101.5112.9124.700000123.2
260N31.3Very low32.7Very low155 Ų155125.9 Ų125.983%0.82977%0.766SS**  90.6140.8123.5-160.720000122.6
261S37.9Very low32.7Very low101 Ų101122.2 Ų122.271%0.70676%0.764SS**  trans81.7158.415887.40000117.8
262S36.8Very low31.9Very low84 Ų84123.2 Ų123.259%0.58776%0.763SS**  cis-159.6-178.117.953.50000113.7
263Q35.7Very low31.9Very low178 Ų178124 Ų12483%0.83276%0.763SS**  trans79.5150.5162.6-59.4166.155.700116.2
264V34.6Very low31.7Very low113 Ų113123 Ų12369%0.68576%0.763SS**  cis-167.3161.5-1.2111.90000107.6
265R32.5Very low31.9Very low218 Ų218120.8 Ų120.882%0.82376%0.76SS**  cis-149.2166.16.9-116.6166.5-165.9150.54.4109.2
266A28.3Very low32.1Very low86 Ų86121.9 Ų121.971%0.71176%0.761SS**  42141.692.800000117.4
267S28.5Very low31.7Very low117 Ų117122.7 Ų122.782%0.81876%0.76SS**  cis-168.5156.45.2-1270000114.2
268A29.3Very low31.7Very low98 Ų98120.5 Ų120.581%0.8176%0.764SS**  trans57.7164.4159.400000118.8
269N25.2Very low32Very low154 Ų154120.1 Ų120.182%0.82477%0.77SS**  cis-145.9170.27-172.925.3000111
270S31.6Very low32.1Very low98 Ų98126.8 Ų126.869%0.68578%0.776SS**  trans-118.1-179.7-178-58.60000113.8
271S34Very low32.9Very low111 Ų111124.4 Ų124.478%0.77677%0.769SS**  trans99147.3176.5-39.90000114.3
272N28.7Very low32.4Very low150 Ų150127.6 Ų127.680%0.80277%0.773SS**  cis-155.6158.84.9-139.82.2000115.6
273A26.1Very low32.1Very low71 Ų71127.4 Ų127.459%0.58777%0.771SS**  trans55.3116.2138.400000124.7
274S30.9Very low31.8Very low113 Ų113128.8 Ų128.879%0.7977%0.774SS**  74129.5113.6-55.20000125.3
275S34.4Very low31.7Very low113 Ų113129.8 Ų129.879%0.7978%0.781SS**  trans83.4109.2134.2-63.70000123.5
276A32.9Very low31.7Very low100 Ų100126 Ų12683%0.82678%0.777SS**  40.6126124.400000122.6
277S28Very low32.5Very low121 Ų121127.2 Ų127.285%0.84678%0.778SS**  trans-167.7152.9131.4460000112.5
278S32.8Very low32.5Very low120 Ų120130 Ų13084%0.83978%0.778SS**  trans-121.5155.1163-61.10000108.8
279P39.9Very low32.5Very low132 Ų132129.5 Ų129.586%0.85777%0.774SS**  trans-126162.3151.235.9-25.2000113.4
280R34.6Very low32.7Very low229 Ų229128.2 Ų128.286%0.86478%0.776SS**  trans-144.4135.8177.6176.7-171.1-177-161.14.8110.3
281P48.1Very low32.8Very low106 Ų106128.1 Ų128.169%0.68878%0.776SS**  trans-116.2-171.5147.712.89.5000110.2
282E27.9Very low32.6Very low168 Ų168130.4 Ų130.479%0.78577%0.774SS**  -145134.9-61-100.2-148.287.200106.4
283S29.2Very low33.2Very low80 Ų80129.4 Ų129.456%0.55978%0.776SS**  81.2109.980.3105.80000114.9
284K31.3Very low33.4Very low206 Ų206130.4 Ų130.490%0.89678%0.784SS**  trans-174.2163142.4-104.4169.7-177176.10109.2
285T31.9Very low33.7Very low134 Ų134133.5 Ų133.582%0.82279%0.791SS**  trans-134150.8-140.9-42.90000114.7
286D31.5Very low33.6Very low139 Ų139134.2 Ų134.274%0.74380%0.796SS**  trans-30.6170.6148.4-87.4-84.3000116.9
287P45.6Very low33.6Very low111 Ų111135 Ų13572%0.72180%0.796SS**  cis-133.4-168.727.731-5.3000114
288Q29.3Very low33.8Very low177 Ų177132.7 Ų132.783%0.82779%0.791SS**  cis-132.8147.117.4-74.3176.3-121.200111.6
289A28.9Very low34Very low87 Ų87135.4 Ų135.472%0.71979%0.79SS**  cis84103.938.200000114.7
290S29.1Very low33.7Very low126 Ų126137.4 Ų137.488%0.88179%0.791SS**  trans-113.3132.2166.3175.10000109.3
291S33.3Very low33.9Very low96 Ų96130.7 Ų130.767%0.67179%0.785SS**  trans-161.2155.5169.371.70000111.6
292Q31.2Very low34.2Very low160 Ų160131.2 Ų131.275%0.74879%0.788SS**  trans123.8126.8162.6-66.8-37.7-64.700113.9
293P41.2Very low34.6Very low129 Ų129129.1 Ų129.184%0.83879%0.787SS**  trans-137.1109.8146.233.5-16.9000112.4
294A29.7Very low34.9Very low91 Ų91130.5 Ų130.575%0.75280%0.796SS**  trans-154.2106.9168.700000113.6
295L37.7Very low35.6Very low178 Ų178125.7 Ų125.793%0.93279%0.786SS**  trans15.1121.7149-51.7175.4000120.6
296S30.8Very low35.7Very low128 Ų128128.2 Ų128.290%0.89579%0.786SS**  trans-154.4163.313871.90000112.2
297S33Very low36Very low118 Ų118130.6 Ų130.683%0.82579%0.79SS**  trans-87153.3-168.8-172.90000114.1
298G32.9Very low36.1Very low72 Ų72131.1 Ų131.174%0.74279%0.793SS**  trans175.5117.2170.200000114.3
299H36.7Very low36.3Very low176 Ų176126 Ų12682%0.81579%0.787SS**  trans-77.5145.5-176.8-63.1-106.5000114
300I34.8Very low36.8Very low175 Ų175130.6 Ų130.690%0.89779%0.794SS**  -173.2158125.7-93.5152.9000108.3
301A38.7Very low36.9Very low88 Ų88130 Ų13073%0.72779%0.79SS**  trans-107.7-144.7-158.300000115.5
302P53.5Low37Very low117 Ų117131.9 Ų131.976%0.7680%0.797SS**  -101.8-176.3-118.236.9-20000112.9
303V35.6Very low37.6Very low124 Ų124132.2 Ų132.275%0.75280%0.796SS**  -166.2149.877.6163.10000110.3
304S36Very low37.8Very low108 Ų108131.8 Ų131.876%0.75579%0.794SS**  trans-125.9138.8164.4170.20000110.2
305P46.7Very low38.5Very low106 Ų106134.2 Ų134.269%0.68879%0.793SS**  trans-131.5125.8159.834.7-18.9000114.8
306F33.7Very low39.1Very low186 Ų186131.4 Ų131.482%0.81679%0.785SS**  -5.6147.7124.4-65.8-80.3000116.4
307K37.8Very low40.1Very low190 Ų190130.6 Ų130.683%0.82678%0.777SS**  cis-164.9-145.93.9-135.7-173.9169.9179.70108.6
308P48.3Very low40.5Very low121 Ų121129.9 Ų129.979%0.78678%0.779SS**  trans-114.4168.1-159.443.4-27.9000116.6
309G33Very low40.6Very low69 Ų69132.8 Ų132.871%0.71178%0.782SS**  trans-176.9103.1169.300000118.1
310H38.1Very low40.8Very low185 Ų185133.6 Ų133.686%0.85679%0.789SS**  trans25.7151146.8-67.2-85.7000126
311S32Very low40.6Very low114 Ų114128.9 Ų128.980%0.79778%0.783SS**  trans81.2147.6157.783.60000116.7
312V36.3Very low40.3Very low134 Ų134135.5 Ų135.581%0.81279%0.791SS**  cis-133.41525.7177.30000110.1
313F42.8Very low39.3Very low167 Ų167139 Ų13973%0.73280%0.796SS**  trans-92.5157174.2-118-67.6000112.1L315F313-L315 HydrophobicContact CD1-CG 4.25Å; F313-L315 HydrophobicContact CE1-CD1 3.79Å; F313-L315 HydrophobicContact CE1-CG 3.86Å; F313-L315 HydrophobicContact CZ-CD1 4.41Å
314P46Very low39.1Very low121 Ų121135.6 Ų135.679%0.78679%0.787SS**  -143.1133.7111.635-20.7000116
315L43.8Very low39.4Very low142 Ų142136.3 Ų136.374%0.74379%0.792SS**  trans-113.2149.4146.5-70.7168000105.4F313F313-L315 HydrophobicContact CD1-CG 4.25Å; F313-L315 HydrophobicContact CE1-CD1 3.79Å; F313-L315 HydrophobicContact CE1-CG 3.86Å; F313-L315 HydrophobicContact CZ-CD1 4.41Å
316P51.3Low39Very low118 Ų118138.7 Ų138.777%0.76680%0.797SS**  -153.9-15885.245.6-25.9000111
317P51.8Low39.1Very low111 Ų111136.8 Ų136.872%0.72180%0.8SS**  cis-128.6167.5-10.639.9-24.7000115.7
318A39.8Very low38.9Very low104 Ų104131 Ų13186%0.8680%0.795SS**  trans-116.6151.8146.600000108.1
319T36.1Very low38.3Very low133 Ų133129.9 Ų129.982%0.81680%0.796SS**  trans-129.3139.9-178.950.30000111.7
320M40.5Very low38.2Very low193 Ų193138 Ų13895%0.95181%0.807SS**  trans-80.7158.4-178.8-83.1174.452.900113.5
321G30.4Very low38.2Very low76 Ų76133.8 Ų133.878%0.78480%0.804SS**  trans-164.2134.5158.500000110.6
322Y32.9Very low37.9Very low227 Ų227133.9 Ų133.989%0.8980%0.804SS**  trans-142.793.6-174.6-160.6-78.2000111.6
323H32.3Very low37.8Very low189 Ų189135.6 Ų135.688%0.87580%0.797SS**  trans-165158.6164.7-126-114.8000106.6
324G31.1Very low38.2Very low54 Ų54133.3 Ų133.356%0.55780%0.799SS**  cis119103.415.600000108.7
325S43.7Very low37.7Very low123 Ų123130.3 Ų130.386%0.8678%0.781SS**  trans-51.8133-165.6-177.60000116.3
326I38.3Very low37.6Very low156 Ų156129.8 Ų129.880%0.878%0.775SS**  trans-165.4136.4144.635.2169.8000113.5
327V34Very low36.8Very low145 Ų145132.6 Ų132.688%0.87978%0.775SS**  trans42132.1137-175.50000122.6
328G35.3Very low35.9Very low69 Ų69133.1 Ų133.171%0.71178%0.776SS**  trans109.595.7148.400000115.7
329A33.9Very low35.4Very low97 Ų97132.9 Ų132.980%0.80277%0.768SS**  cis90.411143.300000115
330Y32.4Very low35.2Very low241 Ų241131.5 Ų131.595%0.94576%0.764SS**  trans-170.7161.1135.7-118.7-85.2000111.3
331A37.8Very low35Very low96 Ų96129.8 Ų129.879%0.79376%0.758SS**  trans76102.617300000119.7
332S25.9Very low35.2Very low115 Ų115133.4 Ų133.480%0.80476%0.759SS**  trans-58.7144.4171-56.30000114.8
333Y33.3Very low35.9Very low170 Ų170127.1 Ų127.167%0.66775%0.746SS**  71.5142.879.1-121.2-128.9000114.1S335Y333-S335 WeakPolarHBondContact CE1-OG 3.38Å
334P51.7Low35.8Very low120 Ų120125.4 Ų125.478%0.77974%0.742SS**  -101.215150.2-3.224.8000114.4
335S35.4Very low36.1Very low57 Ų57132.1 Ų132.140%0.39976%0.756SS.*  65125.970.2-96.50000113.5Y333Y333-S335 WeakPolarHBondContact CE1-OG 3.38Å
336Q41Very low35.4Very low132 Ų132131.7 Ų131.762%0.61775%0.753SS**  cis-136.7172.810.7-53.9-7121.200110.6
337F35.1Very low35.2Very low176 Ų176128.7 Ų128.777%0.77275%0.746SS**  cis-144.71621.7-97.7-57.7000109.6
338V33.2Very low35.3Very low123 Ų123130 Ų13075%0.74575%0.747SS**  trans-144.7168.1167.8-63.40000108.4
339S29.1Very low35Very low98 Ų98129.6 Ų129.669%0.68574%0.743SS**  cis-136.7174.716.4-78.20000110
340S31.1Very low35.3Very low104 Ų104134 Ų13473%0.72775%0.752SS**  cis78.5146.828.1-1520000116.2
341L37.5Very low35.2Very low158 Ų158125.9 Ų125.983%0.82774%0.742SS**  trans70.3121.4-171.8-68.372.8000115
342D33.3Very low35.2Very low152 Ų152130 Ų13081%0.81375%0.749SS**  cis98.1-178.946.8-143.732000111.4
343P48.3Very low35.8Very low94 Ų94132.8 Ų132.861%0.6175%0.75SS**  -129.5-178.8-114.941.3-22.7000117.8
344I31.5Very low35.8Very low154 Ų154128 Ų12879%0.7975%0.752SS**  trans87.699.2161.9-51.9168.4000119.1
345K36.4Very low34.9Very low194 Ų194130.6 Ų130.684%0.84375%0.751SS**  trans76.7143.5138.2-162.2176-178.2-178.30121.2
346S28.8Very low34.9Very low114 Ų114136.1 Ų136.180%0.79777%0.77SS**  trans71155.3176.7-89.60000117
347S34.1Very low35Very low93 Ų93135.9 Ų135.965%0.6578%0.78SS**  cis-177160.5-32.6-169.70000107.6
348L35.7Very low35.1Very low172 Ų172132.9 Ų132.990%0.90178%0.781SS**  trans65150.3-170.2-60.984.1000113.7
349G30.5Very low35.4Very low62 Ų62132.2 Ų132.264%0.63978%0.782SS**  cis166.5159.7-6.400000111.4
350L38.7Very low35.7Very low190 Ų190133.1 Ų133.1100%0.99579%0.788SS**  trans76.7125.9-173.1-52.5157.3000114.9
351G31.8Very low36.8Very low70 Ų70133.7 Ų133.772%0.72279%0.79SS**  cis145.3101-22.200000115.9
352L37.3Very low36.9Very low182 Ų182134.3 Ų134.395%0.95379%0.793SS**  trans-153.8163.5151.5-140.369.8000111.6
353Q38.5Very low37.2Very low173 Ų173134.1 Ų134.181%0.80880%0.797SS**  trans-92.4159.4-168.6-55.4177.415.100112.7
354G33.1Very low36.6Very low70 Ų70132.8 Ų132.872%0.72280%0.801SS**  cis153.5-170.8-600000113.6
355K32.7Very low36.9Very low175 Ų175130.8 Ų130.876%0.76181%0.807SS**  trans7996.1168.8-59.3170.4-178170.30118.8
356H36.2Very low36.9Very low173 Ų173126.7 Ų126.780%0.80180%0.803SS**  trans31.9141.1137.1-53.6-71.2000121.2
357P43.1Very low37.4Very low126 Ų126126.7 Ų126.782%0.81880%0.8SS**  -114.3161.98134.6-36.6000114.8
358S36.5Very low38.1Very low114 Ų114128 Ų12880%0.79781%0.806SS**  trans-106.2124.3163.2173.80000108.6
359S38.8Very low38.5Very low109 Ų109124.7 Ų124.776%0.76280%0.798SS**  trans-154.8143.5163.651.60000110.6
360S36.1Very low39.4Very low116 Ų116128.5 Ų128.581%0.81180%0.803SS**  trans-78156.7-170.5-70.40000113.8
361P53.6Low39.7Very low117 Ų117126.8 Ų126.876%0.7679%0.791SS**  trans-82.7149.3-171.233.1-36.7000113.8
362L39.8Very low40.6Very low171 Ų171130 Ų13090%0.89579%0.788SS**  trans-130.297.5158.5-75.7177.5000110.7
363T40.4Very low41.6Very low147 Ų147125.4 Ų125.490%0.90278%0.784SS**  trans19.6107142.8-48.80000117.8
364G35.2Very low42.4Very low67 Ų67123.7 Ų123.769%0.69178%0.78SS**  trans-176.921.4173.300000117.3S366G364-S366 PolarHBondContact O-N 3.28Å
365A38.5Very low43.4Very low111 Ų111124.6 Ų124.692%0.91777%0.774SS**  trans-66109.7-175.100000112.4
366S35Very low44.4Very low109 Ų109128.3 Ų128.376%0.76278%0.784SS**  trans-107.8142.6160.9-64.30000108.8G364G364-S366 PolarHBondContact O-N 3.28Å
367P41.1Very low45Very low114 Ų114123.9 Ų123.974%0.7477%0.766SS**  trans-69155-175.629-35.5000112S369P367-S369 PolarHBondContact O-N 3.33Å; P367-S369 VanDerWaalsContact O-N 3.08Å
368P47Very low45.7Very low120 Ų120123.5 Ų123.578%0.77976%0.763SS**  trans-63.8111.317527-33.8000110.2L370P368-L370 PolarHBondContact O-N 2.86Å
369S45.5Very low46.6Very low102 Ų102127.2 Ų127.271%0.71376%0.761SS**  trans-74.997.3178.3-169.30000110.2P367 M371P367-S369 PolarHBondContact O-N 3.33Å; P367-S369 VanDerWaalsContact O-N 3.08Å; S369-M371 PolarHBondContact O-N 3.33Å
370L48Very low47.5Very low142 Ų142124.2 Ų124.274%0.74374%0.74SS**  trans-73.334.2176.7-78.6164.7000113.4P368 Q372P368-L370 PolarHBondContact O-N 2.86Å; L370-Q372 PolarHBondContact O-N 3.32Å; L370-Q372 PolarHBondContact O-OE1 3.29Å
371M45.8Very low48.6Very low154 Ų154126.2 Ų126.276%0.75974%0.74SS**  trans-89.791.5169.3-73.3-104.262.300108.5S369S369-M371 PolarHBondContact O-N 3.33Å
372Q51.5Low48.7Very low138 Ų138125.4 Ų125.465%0.64574%0.738SS**  trans-53.6141.8169.8-77.380.18.900110.6L370 L374L370-Q372 PolarHBondContact O-N 3.32Å; L370-Q372 PolarHBondContact O-OE1 3.29Å; Q372-L374 PolarHBondContact O-N 3.21Å
373G56.6Low48.8Very low86 Ų86126.9 Ų126.989%0.88773%0.733SS**  trans-72.266.7-178.300000113.5C375G373-C375 PolarHBondContact O-N 2.8Å
374L55.8Low49.3Very low137 Ų137125.5 Ų125.572%0.71773%0.727SS**  trans-67127.1170.7-61.4176.8000109.2Q372 R376Q372-L374 PolarHBondContact O-N 3.21Å; L374-R376 PolarHBondContact O-N 3.17Å
375C54.3Low49.6Very low89 Ų89129.4 Ų129.460%0.60173%0.731SS**  trans-61.7132178.3-166.60000109.9G373 D377 C380G373-C375 PolarHBondContact O-N 2.8Å; C375-D377 VanDerWaalsContact C-N 3.27Å; C375-D377 PolarHBondContact O-N 2.67Å; C375-C380 HydrophobicContact CB-CB 4.26Å; C375-C380 VanDerWaalsContact SG-SG 3.64Å
376R52.9Low49.8Very low253 Ų253127.1 Ų127.196%0.95571%0.713SS**  trans-95.332.4-173.4-146.5177-169.4170.44.8113.3L374L374-R376 PolarHBondContact O-N 3.17Å
377D50.5Low50.3Low79 Ų79128.2 Ų128.242%0.42272%0.717SS.*  trans-106.7123.6177.6-175-30.1000109.3C375 Y379 C380C375-D377 VanDerWaalsContact C-N 3.27Å; C375-D377 PolarHBondContact O-N 2.67Å; D377-Y379 PolarHBondContact O-N 3.12Å; D377-Y379 VanDerWaalsContact O-N 3.15Å; D377-Y379 PolarHBondContact OD1-N 3.4Å; D377-C380 HydrophobicContact CB-CB 4.3Å; D377-C380 PolarHBondContact O-N 3.11Å
378P56.7Low50.3Low119 Ų119130.5 Ų130.577%0.77372%0.718SS**THydrogen-bonded Turntrans-66.3-9.2-179.429-36000114.7
379Y56.1Low50Low191 Ų191133.4 Ų133.475%0.74973%0.726SS**THydrogen-bonded Turntrans-103-5.2178.3-56.8-73.1000113.8D377 L381D377-Y379 PolarHBondContact O-N 3.12Å; D377-Y379 VanDerWaalsContact O-N 3.15Å; D377-Y379 PolarHBondContact OD1-N 3.4Å; Y379-L381 PolarHBondContact O-N 3.37Å
380C57.4Low49.7Very low46 Ų46131.8 Ų131.831%0.31173%0.725SS.*  trans-7491.6176.7-81.50000112.4C375 D377 S382C375-C380 HydrophobicContact CB-CB 4.26Å; C375-C380 VanDerWaalsContact SG-SG 3.64Å; D377-C380 HydrophobicContact CB-CB 4.3Å; D377-C380 PolarHBondContact O-N 3.11Å; C380-S382 PolarHBondContact O-N 3.28Å
381L59.9Low49.3Very low158 Ų158128.9 Ų128.983%0.82773%0.73SS**  trans-70.534.6174.9-82.8158.9000115Y379 Y383Y379-L381 PolarHBondContact O-N 3.37Å; L381-Y383 PolarHBondContact O-N 3.03Å
382S55.3Low49.4Very low101 Ų101126.9 Ų126.971%0.70673%0.731SS**  trans-78.4107172.8-66.80000110.2C380C380-S382 PolarHBondContact O-N 3.28Å
383Y42.1Very low48.9Very low201 Ų201126.5 Ų126.579%0.78873%0.733SS**  trans-57.5132.2-177.7-87.4-102.2000112.5L381 N385L381-Y383 PolarHBondContact O-N 3.03Å; Y383-N385 PolarHBondContact O-N 3Å
384P49.8Very low48.2Very low119 Ų119128.5 Ų128.577%0.77373%0.732SS**SBendtrans-80.515.9-170.533.9-38.6000114.8
385N41.3Very low47.8Very low148 Ų148127 Ų12779%0.79173%0.733SS**  trans-143.262.9-170.2-159.8-0.8000113.3Y383Y383-N385 PolarHBondContact O-N 3Å
386A42.8Very low47.5Very low63 Ų63127.7 Ų127.752%0.52174%0.739SS.*  trans-141.8108.217000000109.8H388A386-H388 VanDerWaalsContact C-N 3.34Å; A386-H388 PolarHBondContact O-N 2.97Å; A386-H388 PolarHBondContact O-ND1 3.48Å
387P45.1Very low47Very low132 Ų132120.3 Ų120.386%0.85773%0.725SS**  trans-7880.1-176.732.1-35.2000111.2
388H41Very low46.6Very low162 Ų162122.3 Ų122.375%0.7574%0.74SS**  trans-86.1131.9173.851.8-77.2000110.9A386 G390A386-H388 VanDerWaalsContact C-N 3.34Å; A386-H388 PolarHBondContact O-N 2.97Å; A386-H388 PolarHBondContact O-ND1 3.48Å; H388-G390 PolarHBondContact O-N 2.8Å
389L42.7Very low46.1Very low182 Ų182125.4 Ų125.495%0.95374%0.743SS**  trans-80.3100.1-172.3-78.3161.9000112.1
390G37.8Very low44.7Very low68 Ų68121.5 Ų121.570%0.70174%0.735SS**  trans72.5178.616500000115.4H388H388-G390 PolarHBondContact O-N 2.8Å
391G39.6Very low44.4Very low81 Ų81125.7 Ų125.784%0.83576%0.762SS**  trans112.7117.7178.300000113.7
392S48.9Very low43.5Very low112 Ų112122.7 Ų122.778%0.78375%0.754SS**  trans-70.5175.6163.6-179.10000111.2
393N40.5Very low43.2Very low130 Ų130123 Ų12370%0.69576%0.756SS**  trans6897.9169.169.186.6000119.2S395N393-S395 PolarHBondContact O-N 3.39Å
394C42.9Very low43.2Very low128 Ų128122.1 Ų122.187%0.86576%0.764SS**  trans-87.567.1164.3480000112.1
395S46.6Very low42.6Very low105 Ų105126.2 Ų126.273%0.73477%0.77SS**  trans-89.910.7-178.4-57.60000115N393N393-S395 PolarHBondContact O-N 3.39Å
396S48.2Very low42.7Very low104 Ų104125.1 Ų125.173%0.72777%0.774SS**  trans-123.479-174-164.20000112.6
397C43Very low42.3Very low98 Ų98125.1 Ų125.166%0.66278%0.781SS**  trans-116.856.4166.5-630000109.4
398V41.6Very low41.8Very low121 Ų121128.9 Ų128.973%0.73378%0.784SS**  trans-93.3117.7-178.6179.40000109.8
399H45Very low42.3Very low183 Ų183126.6 Ų126.685%0.84778%0.783SS**  trans-99.8102.3171.2-72.1-83.3000110.5
400D28.1Very low42.3Very low109 Ų109126.4 Ų126.458%0.58378%0.782SS**  trans-137.1114.7166.1179.85.2000109.2S402D400-S402 PolarHBondContact O-N 3.06Å; D400-S402 VanDerWaalsContact O-N 3.16Å; D400-S402 WeakPolarHBondContact OD1-CB 3.28Å; D400-S402 PolarHBondContact OD1-N 2.92Å; D400-S402 PolarHBondContact OD1-OG 2.89Å
401P50.6Low42.6Very low135 Ų135129.7 Ų129.788%0.87779%0.788SS**  trans-80.519-175.434.6-37000114.4
402S41.8Very low42.4Very low94 Ų94135.9 Ų135.966%0.65779%0.788SS**  trans-94.7-6.7-162.7-58.30000117.3D400D400-S402 PolarHBondContact O-N 3.06Å; D400-S402 VanDerWaalsContact O-N 3.16Å; D400-S402 WeakPolarHBondContact OD1-CB 3.28Å; D400-S402 PolarHBondContact OD1-N 2.92Å; D400-S402 PolarHBondContact OD1-OG 2.89Å
403S47.3Very low42.4Very low107 Ų107134.8 Ų134.875%0.74878%0.778SS**  trans-144.193.5-170.9-166.70000116.1
404L43.9Very low42Very low183 Ų183134.2 Ų134.296%0.95878%0.784SS**  trans-144116.4155.2-74.4-179.7000109.2
405K36.9Very low41.6Very low205 Ų205135.8 Ų135.889%0.89178%0.779SS**  trans-134.5103.4-177.1-168.9168.4-177.1173.90113
406S43.6Very low41.3Very low125 Ų125138.3 Ų138.387%0.87478%0.778SS**  trans38.4124.5152.2-163.20000120.4
407G33.7Very low40.7Very low64 Ų64141.4 Ų141.466%0.6679%0.786SS**  trans-163.399.6169.800000116
408F33.5Very low40.4Very low211 Ų211145.3 Ų145.393%0.92579%0.794SS**  trans71.9143.2160.5-73.3-88.6000121.5
409P52.7Low40.1Very low114 Ų114145.4 Ų145.474%0.7480%0.801SS**  trans-111.5154.4-18040.6-31.6000114.3
410L41.7Very low39.7Very low178 Ų178144.1 Ų144.193%0.93280%0.799SS**  trans-136.9137.9161.5-89.1177.1000113.2
411V44.7Very low40.4Very low136 Ų136147.9 Ų147.982%0.82481%0.813SS**  trans-71.4120.3-166.3178.60000113.7
412Y36.2Very low39.7Very low212 Ų212147.6 Ų147.683%0.83181%0.814SS**  trans-157143.4137.3-151.1-98.3000112.1
413P49.1Very low39.4Very low88 Ų88145.9 Ų145.957%0.57181%0.811SS**  trans-86.9136.6178.1-4.724.1000112.9
414S30.4Very low38.8Very low119 Ų119145.7 Ų145.783%0.83281%0.81SS**  trans-139.4135.2165.5-78.70000109.8
415H35.3Very low38.5Very low161 Ų161144 Ų14475%0.74580%0.801SS**  trans-95.7137.5-167.4-84.4-89.3000114.5
416H39.4Very low38.3Very low157 Ų157138.6 Ų138.673%0.72779%0.789SS**  trans4284153.5-53.7-64.6000119.1
417L35.9Very low38Very low170 Ų170138.9 Ų138.989%0.8979%0.791SS**  trans-127.1150.5130.2-74179.4000109S419L417-S419 PolarHBondContact O-N 3.21Å
418H36.2Very low38.2Very low179 Ų179140 Ų14083%0.82979%0.789SS**  trans-78.7109-170.5-75.8-103.4000112.3L420H418-L420 PolarHBondContact O-N 3.46Å
419S36.3Very low38.3Very low124 Ų124135 Ų13587%0.86778%0.78SS**  trans-70105.1163-660000110.4L417L417-S419 PolarHBondContact O-N 3.21Å
420L37.5Very low37.7Very low156 Ų156135.5 Ų135.582%0.81778%0.781SS**  trans-109.6149.5160.1-68.4178.6000109.5H418H418-L420 PolarHBondContact O-N 3.46Å
421H41.3Very low37.4Very low187 Ų187133 Ų13387%0.86678%0.776SS**  trans-46.1133.4-175.7-93.5-147.8000114.8
422S35.8Very low37.1Very low129 Ų129131.1 Ų131.190%0.90277%0.768SS**  trans-134.675154.5-760000109.3
423G35.8Very low37.3Very low59 Ų59128.6 Ų128.661%0.60877%0.768SS**  trans-80.2178.3168.800000112.2L425G423-L425 PolarHBondContact O-N 3.11Å
424S34.4Very low36.6Very low103 Ų103128.7 Ų128.772%0.7277%0.771SS**  trans-54.4126.7-177.9-175.20000114.2
425L38.1Very low37.1Very low147 Ų147131.6 Ų131.677%0.7777%0.772SS**  trans-128.7108157.9-65.2175.2000105.2G423G423-L425 PolarHBondContact O-N 3.11Å
426S33.5Very low37.7Very low91 Ų91129.5 Ų129.564%0.63677%0.772SS**  cis54.688.127.1-79.40000111.1S428S426-S428 PolarHBondContact O-N 3.01Å
427S37.3Very low38Very low131 Ų131129 Ų12992%0.91677%0.774SS**SBendtrans-68.692.3-169.352.80000113.5
428S37.7Very low37.9Very low87 Ų87131.8 Ų131.861%0.60877%0.774SS**  trans-156153.6154.371.80000111.4S426S426-S428 PolarHBondContact O-N 3.01Å
429S34.9Very low38.2Very low108 Ų108128.8 Ų128.876%0.75577%0.769SS**  trans63.3127.117773.80000118.2
430T40.2Very low38.4Very low124 Ų124134.1 Ų134.176%0.76177%0.771SS**  trans-100.5138.7160.444.90000109.8
431P36.2Very low38.4Very low126 Ų126129.9 Ų129.982%0.81877%0.765SS**  trans-101.192.115933.3-27.1000109.9L433P431-L433 PolarHBondContact O-N 2.97Å
432S37.3Very low38.7Very low95 Ų95130.3 Ų130.366%0.66477%0.765SS**  trans-75.5102.3172.5-65.50000110.9
433L39.7Very low39.2Very low159 Ų159132.3 Ų132.383%0.83276%0.762SS**  trans-132.494.6167.3-98.8171000112.2P431P431-L433 PolarHBondContact O-N 2.97Å
434S35.8Very low40Very low91 Ų91134.1 Ų134.164%0.63676%0.761SS**  trans23.4119.4147.657.30000119.8
435H39.9Very low40.4Very low180 Ų180135 Ų13583%0.83377%0.765SS**  trans-63.3137.2141.8-76.2-66.1000109.2L437H435-L437 VanDerWaalsContact C-N 3.34Å; H435-L437 PolarHBondContact O-N 3.16Å
436P47.8Very low40.9Very low116 Ų116133.1 Ų133.175%0.75376%0.756SS**THydrogen-bonded Turntrans-85.322.8-150.133.7-39.8000116.7
437L45.4Very low41.8Very low147 Ų147134.2 Ų134.277%0.7775%0.751SS**THydrogen-bonded Turntrans-135.9-1.9-168.3-75.2178000118.5H435H435-L437 VanDerWaalsContact C-N 3.34Å; H435-L437 PolarHBondContact O-N 3.16Å
438Y34.2Very low43Very low229 Ų229132.5 Ų132.590%0.89874%0.736SS**  trans-136.8153.1173.6-92.1-82.4000114.1
439T44Very low44.4Very low116 Ų116130.3 Ų130.371%0.71272%0.718SS**  trans-132134.8-146.6-71.70000112.3
440Y39.5Very low46.4Very low235 Ų235130.2 Ų130.292%0.92271%0.714SS**  trans68.1134170.7-87.8-127.2000118.2
441G37.8Very low48.6Very low67 Ų67127 Ų12769%0.69169%0.691SS**  trans179.526.2-178.600000117.1M443G441-M443 PolarHBondContact O-N 3.34Å
442F46.5Very low51.2Low197 Ų197123.4 Ų123.486%0.86467%0.671SS**  trans30.167168.1-152.4-91000117.3V444F442-V444 HydrophobicContact CD1-CG2 4.18Å; F442-V444 HydrophobicContact CE1-CG2 4.03Å; F442-V444 PolarHBondContact O-N 3.44Å
443M46.8Very low54Low170 Ų170119 Ų11984%0.83764%0.641SS**  trans-78.2113.4171.3-68.9-173.972.900110.8G441G441-M443 PolarHBondContact O-N 3.34Å
444V52.5Low56.4Low97 Ų97117.7 Ų117.759%0.58863%0.634SS**  trans-68.5136.2170.4177.70000109.1F442 N446F442-V444 HydrophobicContact CD1-CG2 4.18Å; F442-V444 HydrophobicContact CE1-CG2 4.03Å; F442-V444 PolarHBondContact O-N 3.44Å; V444-N446 VanDerWaalsContact C-N 3.33Å; V444-N446 PolarHBondContact O-N 2.95Å
445P43.8Very low59.1Low123 Ų123118 Ų11880%0.79962%0.622SS**  trans-68.489.5176.228.6-35.2000110.6E447P445-E447 PolarHBondContact O-N 3.46Å
446N48.6Very low61.3Low107 Ų107114.4 Ų114.457%0.57261%0.612SS**  trans-81.595.7173.6-136.7-90.3000108.1V444 R465V444-N446 VanDerWaalsContact C-N 3.33Å; V444-N446 PolarHBondContact O-N 2.95Å; N446-R465 WeakPolarHBondContact OD1-CD 3.45Å; N446-R465 PolarHBondContact OD1-NH1 3.43Å
447E51.9Low63Low114 Ų114110.8 Ų110.853%0.53359%0.589SS.*  trans-52.3145.7172.7-166.5-73.3133.200109.5P445 L449 R465P445-E447 PolarHBondContact O-N 3.46Å; E447-L449 HydrophobicContact CB-CD1 3.82Å; E447-L449 VanDerWaalsContact O-CD1 3.27Å; E447-L449 WeakPolarHBondContact O-CD1 3.5Å; E447-L449 PolarHBondContact O-N 3.25Å; E447-L449 WeakPolarHBondContact OE2-CA 3.24Å; E447-L449 WeakPolarHBondContact OE2-CD1 3.42Å; E447-L449 VanDerWaalsContact OE2-CG 3.23Å; E447-L449 WeakPolarHBondContact OE2-CG 3.44Å; E447-L449 PolarHBondContact OE2-N 3.11Å; E447-R465 PolarHBondContact O-NH1 3.47Å
448P62.7Low64.4Low94 Ų94111.6 Ų111.661%0.6160%0.6SS**  trans-73.945.3-177.930-38000114.8P450 R465P448-P450 WeakPolarHBondContact O-CD 3.47Å; P448-P450 VanDerWaalsContact O-N 3.08Å; P448-R465 VanDerWaalsContact C-NH2 3.28Å
449L66.1Low66.5Low42 Ų42106.4 Ų106.422%0.2260%0.598CS.*  trans-43.3115.3175.3-69.388.8000110.6E447 H451 R465 F466E447-L449 HydrophobicContact CB-CD1 3.82Å; E447-L449 VanDerWaalsContact O-CD1 3.27Å; E447-L449 WeakPolarHBondContact O-CD1 3.5Å; E447-L449 PolarHBondContact O-N 3.25Å; E447-L449 WeakPolarHBondContact OE2-CA 3.24Å; E447-L449 WeakPolarHBondContact OE2-CD1 3.42Å; E447-L449 VanDerWaalsContact OE2-CG 3.23Å; E447-L449 WeakPolarHBondContact OE2-CG 3.44Å; E447-L449 PolarHBondContact OE2-N 3.11Å; L449-H451 PolarHBondContact O-N 3.02Å; L449-H451 VanDerWaalsContact O-N 3.07Å; L449-R465 HydrophobicContact CB-CB 4.28Å; L449-R465 HydrophobicContact CD2-CB 4.36Å; L449-R465 PolarHBondContact O-NH2 3.35Å; L449-F466 VanDerWaalsContact CD2-C 3.43Å; L449-F466 WeakPolarHBondContact CD2-O 3.3Å
450P77.1Confident68.5Low106 Ų106102.1 Ų102.169%0.68858%0.577SS**SBendtrans-76.43.6-169.729.8-36000114P448P448-P450 WeakPolarHBondContact O-CD 3.47Å; P448-P450 VanDerWaalsContact O-N 3.08Å
451H87.1Confident70.9Confident57 Ų5795.7 Ų95.726%0.26456%0.563SS.*EExtended strand (participates in β ladder)trans-123.391.5-174.7-54.2-42.3000110L449 R465 F466 S469 L472L449-H451 PolarHBondContact O-N 3.02Å; L449-H451 VanDerWaalsContact O-N 3.07Å; H451-R465 CarbonylContact O-C 3.56Å; H451-R465 WeakPolarHBondContact O-CA 3.26Å; H451-F466 HydrophobicContact CB-CB 4.33Å; H451-F466 PolarHBondContact O-N 3.45Å; H451-S469 PolarHBondContact CD2-N 2.83Å; H451-S469 PolarHBondContact NE2-N 3.29Å; H451-L472 VanDerWaalsContact C-CD1 3.49Å; H451-L472 HydrophobicContact CB-CB 4.19Å; H451-L472 HydrophobicContact CB-CD1 3.81Å
452A91.5Very high73.4Confident50 Ų5093.2 Ų93.241%0.41354%0.535SS..EExtended strand (participates in β ladder)trans-111.2133.3175.400000111.2R465 L472A452-R465 HydrophobicContact CB-CG 4.11Å; A452-L472 WeakPolarHBondContact O-CD1 3.45Å
453C94.3Very high75.5Confident3 Ų389.9 Ų89.92%0.0253%0.527CS..EExtended strand (participates in β ladder)trans-92.1104175.7-175.40000110.5W455 C462 K464 F466C453-W455 PolarHBondContact O-N 3.01Å; C453-C462 CarbonylContact O-C 3.19Å; C453-K464 PolarHBondContact N-O 3.12Å; C453-F466 HydrophobicContact CB-CE2 3.86Å
454N91.9Very high77.6Confident131 Ų13187.2 Ų87.270%0.70151%0.51SS*.  trans-96.156.4174.1-175.414000111
455W91Very high79.6Confident97 Ų9786.9 Ų86.937%0.36750%0.499SS..  trans-90.1117.9177.7-174.8-79.5000110.9C453 C462 L476 H479 T480C453-W455 PolarHBondContact O-N 3.01Å; W455-C462 HydrophobicContact CB-CB 4.45Å; W455-C462 WeakPolarHBondContact O-CB 3.49Å; W455-C462 PolarHBondContact O-N 3.4Å; W455-L476 HydrophobicContact CE3-CD1 3.77Å; W455-L476 HydrophobicContact CZ3-CD1 4.46Å; W455-H479 HydrophobicContact CB-CB 4.36Å; W455-H479 AromaticContact CD1-CG 3.47Å; W455-H479 VanDerWaalsContact CD1-CG 3.47Å; W455-H479 AromaticContact CD1-ND1 3.39Å; W455-H479 HydrophobicContact CD2-CB 3.86Å; W455-H479 HydrophobicContact CG-CB 3.68Å; W455-H479 AromaticContact CG-CG 3.62Å; W455-H479 AromaticContact CG-ND1 3.97Å; W455-T480 HydrophobicContact CH2-CG2 3.79Å; W455-T480 HydrophobicContact CZ2-CG2 4.27Å; W455-T480 HydrophobicContact CZ3-CG2 4.23Å
456V86.3Confident81.8Confident104 Ų10482 Ų8263%0.6347%0.465SS*.EExtended strand (participates in β ladder)trans-85.7121.6175.7-173.30000110.3P461V456-P461 HydrophobicContact CG2-CB 4.45Å
457S84.8Confident83.9Confident40 Ų4081 Ų8128%0.2847%0.466SS..EExtended strand (participates in β ladder)trans-119.2171.117875.80000111.4S459 G460S457-S459 PolarHBondContact O-N 3.24Å; S457-S459 PolarHBondContact OG-N 3.08Å; S457-S459 VanDerWaalsContact OG-N 3.16Å; S457-G460 PolarHBondContact N-O 3.47Å; S457-G460 WeakPolarHBondContact O-CA 3.42Å; S457-G460 PolarHBondContact O-N 3.35Å; S457-G460 PolarHBondContact OG-O 2.91Å
458V74.9Confident85.9Confident164 Ų16478.6 Ų78.699%0.99446%0.459SS*.THydrogen-bonded Turntrans-61.2-23.7171-179.70000111.7G460V458-G460 PolarHBondContact O-N 3.16Å
459S77.5Confident87.3Confident121 Ų12177.3 Ų77.385%0.84645%0.452SS*.THydrogen-bonded Turntrans-82.57.5172.5-170.70000113.7S457S457-S459 PolarHBondContact O-N 3.24Å; S457-S459 PolarHBondContact OG-N 3.08Å; S457-S459 VanDerWaalsContact OG-N 3.16Å
460G86.9Confident88.7Confident26 Ų2682.4 Ų82.427%0.26848%0.475SS..EExtended strand (participates in β ladder)trans101.4-179.8-175.800000114S457 V458S457-G460 PolarHBondContact N-O 3.47Å; S457-G460 WeakPolarHBondContact O-CA 3.42Å; S457-G460 PolarHBondContact O-N 3.35Å; S457-G460 PolarHBondContact OG-O 2.91Å; V458-G460 PolarHBondContact O-N 3.16Å
461P88.1Confident89.5Confident99 Ų9981.3 Ų81.364%0.64346%0.461SS*.EExtended strand (participates in β ladder)trans-69.3136.3174.430.3-34000111V456V456-P461 HydrophobicContact CG2-CB 4.45Å
462C90.9Very high89.9Confident15 Ų1580.1 Ų80.110%0.10146%0.456CS..  trans-79.9146.6159.9-158.40000109.7C453 W455 H475 H479C453-C462 CarbonylContact O-C 3.19Å; W455-C462 HydrophobicContact CB-CB 4.45Å; W455-C462 WeakPolarHBondContact O-CB 3.49Å; W455-C462 PolarHBondContact O-N 3.4Å; C462-H475 PolarHBondContact SG-NE2 3.02Å; C462-H479 VanDerWaalsContact CB-NE2 3.32Å; C462-H479 WeakPolarHBondContact CB-NE2 3.46Å; C462-H479 PolarHBondContact SG-NE2 3.24Å; C462-H479 VanDerWaalsContact SG-NE2 3.35Å
463D90.4Very high89.9Confident128 Ų12881.6 Ų81.668%0.68446%0.457SS*.  trans-143.243172.7-169.524.2000109.7
464K91.4Very high89.9Confident114 Ų11483.9 Ų83.950%0.49648%0.476SS..EExtended strand (participates in β ladder)trans-80.6128.5177.2-70.1-176.1-161.6-60.80109.7C453 F466C453-K464 PolarHBondContact N-O 3.12Å; K464-F466 HydrophobicContact CB-CE1 4.23Å; K464-F466 HydrophobicContact CB-CE2 3.53Å; K464-F466 HydrophobicContact CB-CZ 3.34Å; K464-F466 HydrophobicContact CD-CZ 4.03Å; K464-F466 HydrophobicContact CG-CZ 4.32Å; K464-F466 WeakPolarHBondContact O-CD2 3.39Å; K464-F466 WeakPolarHBondContact O-CE2 3.45Å
465R93.9Very high89.9Confident90 Ų9078.8 Ų78.834%0.3445%0.448SS..EExtended strand (participates in β ladder)trans-102.5142.7176.1-53.1-171.972.7-173.43.8110N446 E447 P448 L449 H451 A452N446-R465 WeakPolarHBondContact OD1-CD 3.45Å; N446-R465 PolarHBondContact OD1-NH1 3.43Å; E447-R465 PolarHBondContact O-NH1 3.47Å; P448-R465 VanDerWaalsContact C-NH2 3.28Å; L449-R465 HydrophobicContact CB-CB 4.28Å; L449-R465 HydrophobicContact CD2-CB 4.36Å; L449-R465 PolarHBondContact O-NH2 3.35Å; H451-R465 CarbonylContact O-C 3.56Å; H451-R465 WeakPolarHBondContact O-CA 3.26Å; A452-R465 HydrophobicContact CB-CG 4.11Å
466F91.4Very high90Very high20 Ų2077 Ų779%0.08845%0.445CS..EExtended strand (participates in β ladder)trans-132.9147.3-168.4-62.5-69.5000111.8L449 H451 C453 K464 T468 E471 L472 H475L449-F466 VanDerWaalsContact CD2-C 3.43Å; L449-F466 WeakPolarHBondContact CD2-O 3.3Å; H451-F466 HydrophobicContact CB-CB 4.33Å; H451-F466 PolarHBondContact O-N 3.45Å; C453-F466 HydrophobicContact CB-CE2 3.86Å; K464-F466 HydrophobicContact CB-CE1 4.23Å; K464-F466 HydrophobicContact CB-CE2 3.53Å; K464-F466 HydrophobicContact CB-CZ 3.34Å; K464-F466 HydrophobicContact CD-CZ 4.03Å; K464-F466 HydrophobicContact CG-CZ 4.32Å; K464-F466 WeakPolarHBondContact O-CD2 3.39Å; K464-F466 WeakPolarHBondContact O-CE2 3.45Å; F466-T468 VanDerWaalsContact C-N 3.31Å; F466-E471 HydrophobicContact CB-CB 4.15Å; F466-E471 HydrophobicContact CB-CG 4.21Å; F466-E471 HydrophobicContact CD1-CB 4.24Å; F466-E471 VanDerWaalsContact CD1-CD 3.47Å; F466-E471 HydrophobicContact CD1-CG 3.49Å; F466-E471 VanDerWaalsContact CD1-CG 3.49Å; F466-E471 HydrophobicContact CE1-CG 4.21Å; F466-E471 HydrophobicContact CG-CB 4.43Å; F466-E471 HydrophobicContact CG-CG 4.15Å; F466-L472 HydrophobicContact CB-CB 4.17Å; F466-L472 HydrophobicContact CD2-CB 3.75Å; F466-L472 HydrophobicContact CD2-CD1 4.39Å; F466-L472 HydrophobicContact CD2-CG 4.18Å; F466-L472 HydrophobicContact CG-CB 4.19Å; F466-H475 HydrophobicContact CE1-CB 4.05Å; F466-H475 HydrophobicContact CE2-CB 3.9Å; F466-H475 AromaticContact CE2-CD2 3.4Å; F466-H475 VanDerWaalsContact CE2-CD2 3.4Å; F466-H475 WeakPolarHBondContact CE2-CD2 3.45Å; F466-H475 AromaticContact CE2-CG 3.89Å; F466-H475 HydrophobicContact CZ-CB 3.43Å; F466-H475 VanDerWaalsContact CZ-CB 3.43Å; F466-H475 AromaticContact CZ-CD2 3.27Å; F466-H475 WeakPolarHBondContact CZ-CD2 3.48Å; F466-H475 AromaticContact CZ-CG 3.37Å
467S91.8Very high90.3Very high86 Ų8679.1 Ų79.160%0.60144%0.442SS*.SBendtrans-75.9-24.3-176.561.80000112.5E471S467-E471 PolarHBondContact N-OE2 3.06Å; S467-E471 PolarHBondContact OG-OE2 3.03Å
468T93.3Very high90.5Very high64 Ų6480.4 Ų80.439%0.39345%0.448SS..SBendtrans-135.3155.9-178.9660000111.3F466 E470 E471 L472F466-T468 VanDerWaalsContact C-N 3.31Å; T468-E470 VanDerWaalsContact C-N 3.28Å; T468-E470 PolarHBondContact O-N 3.27Å; T468-E471 PolarHBondContact O-N 3.34Å; T468-E471 VanDerWaalsContact OG1-CB 3.23Å; T468-E471 WeakPolarHBondContact OG1-CB 3.36Å; T468-E471 PolarHBondContact OG1-N 3.2Å; T468-E471 VanDerWaalsContact OG1-N 3.14Å; T468-L472 PolarHBondContact O-N 3.1Å
469S93.7Very high91Very high66 Ų6674.5 Ų74.546%0.46241%0.409SS..Hα-helixtrans-66.9-30.4173.654.90000112.2H451 L472 L473H451-S469 PolarHBondContact CD2-N 2.83Å; H451-S469 PolarHBondContact NE2-N 3.29Å; S469-L472 PolarHBondContact O-N 3.3Å; S469-L473 WeakPolarHBondContact O-CB 3.4Å; S469-L473 WeakPolarHBondContact O-CD1 3.4Å; S469-L473 WeakPolarHBondContact O-CG 3.34Å; S469-L473 PolarHBondContact O-N 3.48Å
470E94.5Very high91.2Very high150 Ų15073 Ų7370%0.70140%0.396SS*.Hα-helixtrans-64.6-44.5174.5-178.3171-163.600111.9T468 L473 A474T468-E470 VanDerWaalsContact C-N 3.28Å; T468-E470 PolarHBondContact O-N 3.27Å; E470-L473 CarbonylContact O-C 3.58Å; E470-L473 PolarHBondContact O-N 3.23Å; E470-L473 VanDerWaalsContact O-N 3.15Å; E470-A474 WeakPolarHBondContact O-CB 3.31Å; E470-A474 PolarHBondContact O-N 2.92Å
471E94.6Very high90.3Very high82 Ų8275.7 Ų75.738%0.38341%0.41SS..Hα-helixtrans-63-42.1177.3-168.8-171.7-171.800111.2F466 S467 T468 L473 A474 H475F466-E471 HydrophobicContact CB-CB 4.15Å; F466-E471 HydrophobicContact CB-CG 4.21Å; F466-E471 HydrophobicContact CD1-CB 4.24Å; F466-E471 VanDerWaalsContact CD1-CD 3.47Å; F466-E471 HydrophobicContact CD1-CG 3.49Å; F466-E471 VanDerWaalsContact CD1-CG 3.49Å; F466-E471 HydrophobicContact CE1-CG 4.21Å; F466-E471 HydrophobicContact CG-CB 4.43Å; F466-E471 HydrophobicContact CG-CG 4.15Å; S467-E471 PolarHBondContact N-OE2 3.06Å; S467-E471 PolarHBondContact OG-OE2 3.03Å; T468-E471 PolarHBondContact O-N 3.34Å; T468-E471 VanDerWaalsContact OG1-CB 3.23Å; T468-E471 WeakPolarHBondContact OG1-CB 3.36Å; T468-E471 PolarHBondContact OG1-N 3.2Å; T468-E471 VanDerWaalsContact OG1-N 3.14Å; E471-L473 PolarHBondContact O-N 3.2Å; E471-A474 PolarHBondContact O-N 3.28Å; E471-H475 PolarHBondContact O-N 2.93Å
472L94.4Very high88.7Confident33 Ų3376.2 Ų76.217%0.17341%0.407CS..Hα-helixtrans-59.8-44.2170.5178.6149.7000112H451 A452 F466 T468 S469 H475 L476H451-L472 VanDerWaalsContact C-CD1 3.49Å; H451-L472 HydrophobicContact CB-CB 4.19Å; H451-L472 HydrophobicContact CB-CD1 3.81Å; A452-L472 WeakPolarHBondContact O-CD1 3.45Å; F466-L472 HydrophobicContact CB-CB 4.17Å; F466-L472 HydrophobicContact CD2-CB 3.75Å; F466-L472 HydrophobicContact CD2-CD1 4.39Å; F466-L472 HydrophobicContact CD2-CG 4.18Å; F466-L472 HydrophobicContact CG-CB 4.19Å; T468-L472 PolarHBondContact O-N 3.1Å; S469-L472 PolarHBondContact O-N 3.3Å; L472-H475 PolarHBondContact O-N 3.27Å; L472-L476 WeakPolarHBondContact O-CB 3.19Å; L472-L476 PolarHBondContact O-N 3.45Å
473L92.9Very high87.1Confident81 Ų8180.7 Ų80.742%0.42444%0.436SS..Hα-helixtrans-68.8-33.8178.8-73.3166.5000112S469 E470 E471 R477S469-L473 WeakPolarHBondContact O-CB 3.4Å; S469-L473 WeakPolarHBondContact O-CD1 3.4Å; S469-L473 WeakPolarHBondContact O-CG 3.34Å; S469-L473 PolarHBondContact O-N 3.48Å; E470-L473 CarbonylContact O-C 3.58Å; E470-L473 PolarHBondContact O-N 3.23Å; E470-L473 VanDerWaalsContact O-N 3.15Å; E471-L473 PolarHBondContact O-N 3.2Å; L473-R477 VanDerWaalsContact O-CG 3.31Å; L473-R477 WeakPolarHBondContact O-CG 3.49Å; L473-R477 PolarHBondContact O-N 3.02Å; L473-R477 PolarHBondContact O-NH1 3.19Å
474A92.9Very high85.4Confident50 Ų5077.9 Ų77.941%0.41344%0.437SS..Hα-helixtrans-64.4-45.9172.500000110.3E470 E471 R477 T478E470-A474 WeakPolarHBondContact O-CB 3.31Å; E470-A474 PolarHBondContact O-N 2.92Å; E471-A474 PolarHBondContact O-N 3.28Å; A474-R477 WeakPolarHBondContact O-CB 3.5Å; A474-R477 PolarHBondContact O-N 2.98Å; A474-T478 PolarHBondContact O-N 2.77Å
475H93.3Very high83.2Confident25 Ų2579.7 Ų79.712%0.11645%0.449CS..Hα-helixtrans-67.5-39.2175.9176.450.6000113.5C462 F466 E471 L472 R477 T478 H479C462-H475 PolarHBondContact SG-NE2 3.02Å; F466-H475 HydrophobicContact CE1-CB 4.05Å; F466-H475 HydrophobicContact CE2-CB 3.9Å; F466-H475 AromaticContact CE2-CD2 3.4Å; F466-H475 VanDerWaalsContact CE2-CD2 3.4Å; F466-H475 WeakPolarHBondContact CE2-CD2 3.45Å; F466-H475 AromaticContact CE2-CG 3.89Å; F466-H475 HydrophobicContact CZ-CB 3.43Å; F466-H475 VanDerWaalsContact CZ-CB 3.43Å; F466-H475 AromaticContact CZ-CD2 3.27Å; F466-H475 WeakPolarHBondContact CZ-CD2 3.48Å; F466-H475 AromaticContact CZ-CG 3.37Å; E471-H475 PolarHBondContact O-N 2.93Å; L472-H475 PolarHBondContact O-N 3.27Å; H475-R477 PolarHBondContact O-N 3.35Å; H475-T478 PolarHBondContact ND1-OG1 3.42Å; H475-T478 WeakPolarHBondContact O-CA 3.09Å; H475-T478 WeakPolarHBondContact O-CB 3.36Å; H475-T478 PolarHBondContact O-N 2.72Å; H475-T478 PolarHBondContact O-OG1 3.24Å; H475-H479 AromaticContact CE1-CD2 3.45Å; H475-H479 PolarHBondContact CE1-CD2 3.26Å; H475-H479 VanDerWaalsContact CE1-CD2 3.45Å; H475-H479 AromaticContact CE1-NE2 3.24Å; H475-H479 PolarHBondContact CE1-NE2 2.91Å; H475-H479 AromaticContact NE2-CD2 3.38Å; H475-H479 PolarHBondContact NE2-CD2 3.09Å; H475-H479 AromaticContact NE2-NE2 3.16Å; H475-H479 PolarHBondContact NE2-NE2 3.14Å; H475-H479 VanDerWaalsContact NE2-NE2 3.16Å; H475-H479 PolarHBondContact O-N 3.01Å
476L92.9Very high80.9Confident59 Ų5981 Ų8131%0.30947%0.467SS..Hα-helixtrans-58.7-36.2176.2-163.676.1000111.4W455 L472 T478 H479 T480W455-L476 HydrophobicContact CE3-CD1 3.77Å; W455-L476 HydrophobicContact CZ3-CD1 4.46Å; L472-L476 WeakPolarHBondContact O-CB 3.19Å; L472-L476 PolarHBondContact O-N 3.45Å; L476-T478 VanDerWaalsContact C-N 3.3Å; L476-T478 PolarHBondContact O-N 3.35Å; L476-H479 WeakPolarHBondContact O-CB 3.32Å; L476-H479 PolarHBondContact O-N 3.18Å; L476-T480 PolarHBondContact O-N 3.1Å
477R92.3Very high78.4Confident148 Ų14888 Ų8856%0.55851%0.505SS*.Hα-helixtrans-63.3-32.6171.6-67.5170.6-169.8109.1-13.3112.6L473 A474 H475 H479 T480 S481L473-R477 VanDerWaalsContact O-CG 3.31Å; L473-R477 WeakPolarHBondContact O-CG 3.49Å; L473-R477 PolarHBondContact O-N 3.02Å; L473-R477 PolarHBondContact O-NH1 3.19Å; A474-R477 WeakPolarHBondContact O-CB 3.5Å; A474-R477 PolarHBondContact O-N 2.98Å; H475-R477 PolarHBondContact O-N 3.35Å; R477-H479 VanDerWaalsContact C-N 3.25Å; R477-H479 PolarHBondContact O-N 3.42Å; R477-T480 PolarHBondContact O-N 2.91Å; R477-T480 PolarHBondContact O-OG1 3.11Å; R477-S481 VanDerWaalsContact O-CB 3.28Å; R477-S481 WeakPolarHBondContact O-CB 2.85Å; R477-S481 PolarHBondContact O-N 3.27Å; R477-S481 PolarHBondContact O-OG 3.42Å; R477-S481 VanDerWaalsContact O-OG 3.1Å
478T89.3Confident76.3Confident67 Ų6789 Ų8941%0.41151%0.512SS..Hα-helixtrans-67.3-25.3174.869.50000113.3A474 H475 L476 S481 P483A474-T478 PolarHBondContact O-N 2.77Å; H475-T478 PolarHBondContact ND1-OG1 3.42Å; H475-T478 WeakPolarHBondContact O-CA 3.09Å; H475-T478 WeakPolarHBondContact O-CB 3.36Å; H475-T478 PolarHBondContact O-N 2.72Å; H475-T478 PolarHBondContact O-OG1 3.24Å; L476-T478 VanDerWaalsContact C-N 3.3Å; L476-T478 PolarHBondContact O-N 3.35Å; T478-S481 WeakPolarHBondContact CA-OG 3.18Å; T478-P483 WeakPolarHBondContact O-CG 3.05Å
479H85.4Confident73.8Confident40 Ų4095 Ų9519%0.18553%0.533CS..Hα-helixtrans-78-32.7172.4-83.4-65.5000113.2W455 C462 H475 L476 R477W455-H479 HydrophobicContact CB-CB 4.36Å; W455-H479 AromaticContact CD1-CG 3.47Å; W455-H479 VanDerWaalsContact CD1-CG 3.47Å; W455-H479 AromaticContact CD1-ND1 3.39Å; W455-H479 HydrophobicContact CD2-CB 3.86Å; W455-H479 HydrophobicContact CG-CB 3.68Å; W455-H479 AromaticContact CG-CG 3.62Å; W455-H479 AromaticContact CG-ND1 3.97Å; C462-H479 VanDerWaalsContact CB-NE2 3.32Å; C462-H479 WeakPolarHBondContact CB-NE2 3.46Å; C462-H479 PolarHBondContact SG-NE2 3.24Å; C462-H479 VanDerWaalsContact SG-NE2 3.35Å; H475-H479 AromaticContact CE1-CD2 3.45Å; H475-H479 PolarHBondContact CE1-CD2 3.26Å; H475-H479 VanDerWaalsContact CE1-CD2 3.45Å; H475-H479 AromaticContact CE1-NE2 3.24Å; H475-H479 PolarHBondContact CE1-NE2 2.91Å; H475-H479 AromaticContact NE2-CD2 3.38Å; H475-H479 PolarHBondContact NE2-CD2 3.09Å; H475-H479 AromaticContact NE2-NE2 3.16Å; H475-H479 PolarHBondContact NE2-NE2 3.14Å; H475-H479 VanDerWaalsContact NE2-NE2 3.16Å; H475-H479 PolarHBondContact O-N 3.01Å; L476-H479 WeakPolarHBondContact O-CB 3.32Å; L476-H479 PolarHBondContact O-N 3.18Å; R477-H479 VanDerWaalsContact C-N 3.25Å; R477-H479 PolarHBondContact O-N 3.42Å
480T80.4Confident71.6Confident91 Ų91100 Ų10056%0.55855%0.553SS**Hα-helixtrans-83.6-25.6175.660.70000113W455 L476 R477 L482W455-T480 HydrophobicContact CH2-CG2 3.79Å; W455-T480 HydrophobicContact CZ2-CG2 4.27Å; W455-T480 HydrophobicContact CZ3-CG2 4.23Å; L476-T480 PolarHBondContact O-N 3.1Å; R477-T480 PolarHBondContact O-N 2.91Å; R477-T480 PolarHBondContact O-OG1 3.11Å; T480-L482 PolarHBondContact O-N 2.97Å
481S67.9Low69.1Low82 Ų82100.5 Ų100.557%0.57356%0.56SS**SBendtrans-8153.8174.774.20000113R477 T478 P483R477-S481 VanDerWaalsContact O-CB 3.28Å; R477-S481 WeakPolarHBondContact O-CB 2.85Å; R477-S481 PolarHBondContact O-N 3.27Å; R477-S481 PolarHBondContact O-OG 3.42Å; R477-S481 VanDerWaalsContact O-OG 3.1Å; T478-S481 WeakPolarHBondContact CA-OG 3.18Å; S481-P483 WeakPolarHBondContact O-CD 3.33Å
482L55.1Low66.4Low109 Ų109102.7 Ų102.757%0.57159%0.585SS**  trans16.980.1167.6-16966.5000116.9T480 G484 M485T480-L482 PolarHBondContact O-N 2.97Å; L482-G484 PolarHBondContact O-N 3.05Å; L482-M485 HydrophobicContact CD2-CB 3.74Å; L482-M485 HydrophobicContact CD2-CE 4.3Å; L482-M485 HydrophobicContact CD2-SD 4.46Å; L482-M485 HydrophobicContact CG-CB 4.23Å
483P57.3Low63.6Low110 Ų110105.3 Ų105.371%0.71461%0.611SS**THydrogen-bonded Turntrans-7011.7174.9-20.334.3000115.4T478 S481T478-P483 WeakPolarHBondContact O-CG 3.05Å; S481-P483 WeakPolarHBondContact O-CD 3.33Å
484G54.2Low60.8Low68 Ų68111.1 Ų111.170%0.70163%0.628SS**THydrogen-bonded Turntrans-129.816.7-160.300000116.7L482L482-G484 PolarHBondContact O-N 3.05Å
485M45.2Very low58.6Low152 Ų152113.2 Ų113.275%0.74964%0.638SS**SBendtrans-139.727.8178.5-153.117970.900114.2L482L482-M485 HydrophobicContact CD2-CB 3.74Å; L482-M485 HydrophobicContact CD2-CE 4.3Å; L482-M485 HydrophobicContact CD2-SD 4.46Å; L482-M485 HydrophobicContact CG-CB 4.23Å
486V45.8Very low55.8Low118 Ų118117 Ų11772%0.71567%0.667SS**  trans-134.860.3172.7-730000110.9S488V486-S488 PolarHBondContact O-N 3.22Å; V486-S488 PolarHBondContact O-OG 2.83Å; V486-S488 VanDerWaalsContact O-OG 3.05Å
487D39.9Very low53Low166 Ų166119.7 Ų119.789%0.88869%0.691SS**  trans-61.7124.5171.8-157.9-27.8000109.8K489D487-K489 PolarHBondContact O-N 3.08Å
488S47.1Very low50.8Low109 Ų109119 Ų11976%0.76270%0.703SS**THydrogen-bonded Turntrans-93.365.8-149.7-72.20000112.4V486V486-S488 PolarHBondContact O-N 3.22Å; V486-S488 PolarHBondContact O-OG 2.83Å; V486-S488 VanDerWaalsContact O-OG 3.05Å
489K41.6Very low48.5Very low189 Ų189120.9 Ų120.982%0.82272%0.719SS**THydrogen-bonded Turntrans-146.9-10.4174.8-122.5176.8-177-177.20119.3D487D487-K489 PolarHBondContact O-N 3.08Å
490L46.3Very low46.1Very low170 Ų170125 Ų12589%0.8975%0.752SS**SBendtrans-11821.2-170.9-66.3-178.2000116.6
491L43Very low44Very low162 Ų162127 Ų12785%0.84876%0.764SS**  trans-132.238176-149.772.1000114.8A493L491-A493 PolarHBondContact O-N 3.06Å
492S36.5Very low42.6Very low128 Ų128128.2 Ų128.290%0.89578%0.78SS**  trans-79.244.8177-174.70000113.3
493A36.5Very low41.4Very low87 Ų87127.4 Ų127.472%0.71978%0.783SS**SBendtrans-148.623.6-167.200000117L491L491-A493 PolarHBondContact O-N 3.06Å
494Y34.2Very low40.4Very low203 Ų203128.2 Ų128.280%0.79679%0.79SS**  trans-152.2135.4164.9-148.4-96.9000113.6
495P46.5Very low39.5Very low95 Ų95132.2 Ų132.262%0.61779%0.79SS**  trans-98.7144.5173.135.9-30.6000112.8
496S33.7Very low39.2Very low103 Ų103132.4 Ų132.472%0.7279%0.793SS**  trans72.2148.9173.7-19.10000114.7
497S35.8Very low38.8Very low116 Ų116133.6 Ų133.681%0.81179%0.791SS**  cis-136.9157.92.6-73.30000111.2
498V45.3Very low38.9Very low134 Ų134132.8 Ų132.881%0.81279%0.786SS**  trans-78.8163.7167.3-670000111.8
499S40.6Very low38.8Very low106 Ų106132.1 Ų132.174%0.74178%0.778SS**  trans71.397.8167.5-56.70000117.7
500S35.3Very low39Very low128 Ų128128.2 Ų128.290%0.89577%0.773SS**  trans-14391149.7-80.40000109.4A502S500-A502 PolarHBondContact O-N 3.37Å; S500-A502 VanDerWaalsContact O-N 3.15Å
501T36.9Very low39.1Very low131 Ų131126.4 Ų126.480%0.80477%0.771SS**  trans-77.495.3178.847.10000110.6S503T501-S503 PolarHBondContact O-N 2.92Å
502A37.1Very low38.7Very low109 Ų109123.6 Ų123.690%0.90177%0.765SS**  trans-7458.9166.200000111.1S500S500-A502 PolarHBondContact O-N 3.37Å; S500-A502 VanDerWaalsContact O-N 3.15Å
503S31Very low38.6Very low91 Ų91123.4 Ų123.464%0.63676%0.763SS**  trans-95137.1173.3-173.50000109.7T501 H505T501-S503 PolarHBondContact O-N 2.92Å; S503-H505 PolarHBondContact O-N 3.18Å
504C36.7Very low39Very low128 Ų128125.6 Ų125.687%0.86577%0.771SS**  trans-76.360.2-178.6-56.70000111.8L506C504-L506 PolarHBondContact O-N 2.93Å; C504-L506 VanDerWaalsContact O-N 3.16Å
505H34.7Very low39.7Very low151 Ų151120 Ų12070%0.69977%0.774SS**  trans-78.2100.5-171.8-169.6-72.5000112.3S503 H507S503-H505 PolarHBondContact O-N 3.18Å; H505-H507 PolarHBondContact O-N 3.49Å; H505-H507 VanDerWaalsContact O-N 3.14Å
506L38.6Very low39.3Very low156 Ų156120.3 Ų120.382%0.81779%0.785SS**  trans-57.2112.6165.8-82.3151.9000110C504 L508C504-L506 PolarHBondContact O-N 2.93Å; C504-L506 VanDerWaalsContact O-N 3.16Å; L506-L508 PolarHBondContact O-N 3.07Å; L506-L508 VanDerWaalsContact O-N 3.12Å
507H38.4Very low40Very low144 Ų144123.3 Ų123.367%0.66779%0.792SS**  trans-81.989.4-178.9-178.2-76.9000111.4H505H505-H507 PolarHBondContact O-N 3.49Å; H505-H507 VanDerWaalsContact O-N 3.14Å
508L40.4Very low40.5Very low149 Ų149123.8 Ų123.878%0.7879%0.792SS**PPolyproline II helixtrans-74.5124.5157.9-104.270.7000109.1L506L506-L508 PolarHBondContact O-N 3.07Å; L506-L508 VanDerWaalsContact O-N 3.12Å
509P45Very low39.9Very low94 Ų94122.7 Ų122.761%0.6179%0.791SS**PPolyproline II helixtrans-77144174.231.5-33.5000111.4
510P47.6Very low39.9Very low108 Ų108122.8 Ų122.870%0.70179%0.791SS**PPolyproline II helixtrans-74.3142.2174.630.5-34.4000111.8S512P510-S512 PolarHBondContact O-N 2.95Å
511P47.6Very low40Very low132 Ų132126.6 Ų126.686%0.85779%0.792SS**  trans-92.596.8-176.834.3-33.3000112.9
512S34.6Very low39.8Very low103 Ų103125.4 Ų125.472%0.7279%0.789SS**  trans-157.5136.1164.958.90000114.6P510P510-S512 PolarHBondContact O-N 2.95Å
513S34.3Very low40Very low123 Ų123128 Ų12886%0.8679%0.787SS**  trans76.7148.8167.1-59.30000118.3
514P44.2Very low40.5Very low134 Ų134135.8 Ų135.887%0.8780%0.802SS**  trans-109.8156.9-157.139.8-31.5000115
515G49.8Very low40.4Very low84 Ų84133.2 Ų133.287%0.86680%0.798SS**  trans109.958.2157.100000117.5
516A37.9Very low40.5Very low102 Ų102131.8 Ų131.884%0.84381%0.805SS**  trans-145.2139.2159.100000110.6
517L48.9Very low40.9Very low167 Ų167130.5 Ų130.587%0.87481%0.806SS**  trans-92.5151.3179.1-69.9171.2000111.2
518P45Very low41.1Very low126 Ų126127 Ų12782%0.81881%0.809SS**  trans-72.4134.8-177.129.6-34.9000111.8
519S33.1Very low41.4Very low111 Ų111128.1 Ų128.178%0.77682%0.815SS**  trans-131.4112.4172.4-171.80000110.2
520S40.2Very low41.5Very low108 Ų108127.6 Ų127.676%0.75583%0.826SS**  trans-88.6124-178.9-53.50000110.8
521F37.3Very low41.3Very low207 Ų207130.2 Ų130.291%0.90883%0.834SS**  trans-150.2148.4154.1-88.8-62.2000112.8
522S34.1Very low41.2Very low107 Ų107128.9 Ų128.975%0.74883%0.833SS**  trans-111.5160.2-172.1-64.20000112.8
523L41.8Very low42.2Very low162 Ų162134.5 Ų134.585%0.84884%0.839SS**  trans57.2102.9151.5-68.2163.3000118.8
524R41Very low42.6Very low255 Ų255138.9 Ų138.996%0.96284%0.838SS**  -141.8108.6129.3-77.4-156.7-175.7-142.44.2111
525G35.1Very low43.2Very low75 Ų75140.1 Ų140.177%0.77383%0.832SS**PPolyproline II helixtrans-97.4134.8159.800000109.5
526S34.9Very low43.3Very low120 Ų120140.4 Ų140.484%0.83982%0.819SS**PPolyproline II helixtrans-84148.7177.5-670000111.7
527P48.5Very low44Very low129 Ų129146 Ų14684%0.83882%0.819SS**PPolyproline II helixtrans-90.1159.9-169.236-36.9000114
528G41.3Very low43.7Very low72 Ų72141.2 Ų141.274%0.74281%0.81SS**  trans100.496.715500000116.4
529L47.6Very low43.9Very low172 Ų172145.2 Ų145.290%0.90181%0.814SS**  174.593.9122.8-92.3176.8000108.4L531L529-L531 PolarHBondContact O-N 3.39Å
530G46.5Very low44.2Very low82 Ų82145.3 Ų145.385%0.84582%0.815SS**  trans-81.195.6-176.900000112.5A532G530-A532 PolarHBondContact O-N 3.01Å
531L44.6Very low44.4Very low164 Ų164149.1 Ų149.186%0.85982%0.82SS**  trans-73.9120.3162-109.666.9000109.3L529 R533L529-L531 PolarHBondContact O-N 3.39Å; L531-R533 PolarHBondContact O-N 3.05Å; L531-R533 VanDerWaalsContact O-N 3.16Å
532A45.3Very low44.8Very low103 Ų103147.1 Ų147.185%0.85182%0.818SS**  trans-64.7113.6-173.700000111.4G530G530-A532 PolarHBondContact O-N 3.01Å
533R55.7Low45.2Very low221 Ų221147.6 Ų147.683%0.83482%0.819SS**  trans-74.7133.5166-76.3-168.7-76.8-161.5-3.3109.4L531 H535L531-R533 PolarHBondContact O-N 3.05Å; L531-R533 VanDerWaalsContact O-N 3.16Å; R533-H535 PolarHBondContact O-CD2 3.36Å; R533-H535 PolarHBondContact O-N 3.16Å
534Y42.8Very low44.7Very low216 Ų216143.6 Ų143.685%0.84782%0.817SS**  trans-57.9119.2-173.9-174.1-94.6000112.2P536Y534-P536 HydrophobicContact CE1-CB 4.25Å
535H55.8Low44.6Very low159 Ų159136.4 Ų136.474%0.73681%0.812SS**  trans-106.2112.5173.6-77.4-87.6000109.7R533 Y537R533-H535 PolarHBondContact O-CD2 3.36Å; R533-H535 PolarHBondContact O-N 3.16Å; H535-Y537 PolarHBondContact O-N 3.46Å; H535-Y537 VanDerWaalsContact O-N 3.14Å
536P52.5Low44.9Very low91 Ų91139 Ų13959%0.59182%0.816SS**THydrogen-bonded Turntrans-73-5.5-169.327-34.8000115.8Y534Y534-P536 HydrophobicContact CE1-CB 4.25Å
537Y52.1Low44.7Very low220 Ų220137 Ų13786%0.86381%0.813SS**THydrogen-bonded Turntrans-139.653.4179.8-67.8-72000113.1H535H535-Y537 PolarHBondContact O-N 3.46Å; H535-Y537 VanDerWaalsContact O-N 3.14Å
538G41.8Very low44.2Very low65 Ų65139 Ų13967%0.6782%0.816SS**  trans-87109.6171.500000112.6S540G538-S540 PolarHBondContact O-N 3.08Å
539K50.7Low44.3Very low211 Ų211141.6 Ų141.692%0.91782%0.82SS**  trans-78.4108.5170.7-70.2179.8178.5178.20109.9
540S38.3Very low43.8Very low112 Ų112140.5 Ų140.578%0.78381%0.812SS**PPolyproline II helixtrans-81.2121.7179.639.50000112.4G538G538-S540 PolarHBondContact O-N 3.08Å
541H45.7Very low43.5Very low188 Ų188141.8 Ų141.887%0.8781%0.805SS**PPolyproline II helixtrans-76.5139164.1-107.6-105.9000110.2P543H541-P543 WeakPolarHBondContact O-CD 3.08Å
542L44.7Very low42.9Very low165 Ų165139.9 Ų139.986%0.86480%0.801SS**PPolyproline II helixtrans-85.5125.5175.6-70167.6000111.3
543P42.4Very low42.6Very low117 Ų117141.8 Ų141.876%0.7680%0.796SS**PPolyproline II helixtrans-84.1142.6152.733.4-29.3000110H541H541-P543 WeakPolarHBondContact O-CD 3.08Å
544G31.7Very low41.9Very low79 Ų79137.2 Ų137.281%0.81480%0.795SS**PPolyproline II helixtrans-76.7153.3-175.900000114.5
545A37.9Very low41.4Very low103 Ų103132.3 Ų132.385%0.85179%0.792SS**PPolyproline II helixtrans-88.6154.5173.900000112.4
546P42.4Very low40.6Very low131 Ų131129.2 Ų129.285%0.85179%0.789SS**  trans-135.2147.1135.636.8-26000113.2
547G31.7Very low40Very low77 Ų77130.3 Ų130.379%0.79480%0.795SS**  trans123.2117.9166.700000115.3
548L37.4Very low39.3Very low170 Ų170124.1 Ų124.189%0.8979%0.79SS**  trans-99161.2165.2-58173.1000108.7
549P41.9Very low39.1Very low128 Ų128132.4 Ų132.483%0.83180%0.803SS**  -136.716581.124.7-4.2000115.6
550M38.3Very low38.5Very low149 Ų149132.9 Ų132.973%0.73480%0.8SS**  trans-76.3160.6174.7-114.6-76.9-162.500112.4T552 L553M550-T552 PolarHBondContact SD-N 3.15Å; M550-L553 HydrophobicContact CE-CD1 4.37Å
551P41Very low38.3Very low108 Ų108131.3 Ų131.370%0.70179%0.789SS**  -143.8128111.634.6-19.1000116.8
552T32Very low38.2Very low124 Ų124127 Ų12776%0.76178%0.778SS**  trans44.3124.1144.2540000122.6M550M550-T552 PolarHBondContact SD-N 3.15Å
553L38Very low38Very low144 Ų144129 Ų12975%0.75478%0.775SS**  trans-87.5166.7156.8-66.680000111.8M550M550-L553 HydrophobicContact CE-CD1 4.37Å
554P40.8Very low38Very low125 Ų125128.2 Ų128.281%0.81278%0.779SS**  trans-114.8168.2137.836.6-31.1000113.1
555S32.5Very low38.6Very low112 Ų112131.6 Ų131.678%0.78378%0.778SS**  trans-135.3171178-142.10000109.3
556S38.2Very low38.9Very low95 Ų95137.8 Ų137.866%0.66478%0.781SS**  cis-153.9-1569.5-130.80000107.3
557P41.3Very low38.7Very low113 Ų113137 Ų13773%0.73478%0.778SS**  cis-118.2151.9-14.71115.2000112.5
558A37.3Very low39.1Very low91 Ų91142.4 Ų142.475%0.75278%0.783SS**  60.899.184.400000116.8
559Y36.6Very low39.5Very low239 Ų239145.3 Ų145.394%0.93778%0.782SS**  trans-130.7140.2148.9-112.1-95.1000108.5
560Y38.2Very low39.6Very low221 Ų221146.8 Ų146.887%0.86778%0.782SS**  trans-87.2156.7-175.2-142.6-135.1000108.8
561S33.6Very low39.6Very low78 Ų78142.8 Ų142.855%0.54578%0.779SS.*  cis174-166.931.1-148.10000106.9
562P43.7Very low39.2Very low98 Ų98144 Ų14464%0.63679%0.79SS**  cis-123.4-169.5-37.720.23.9000112.5
563Y40.8Very low39.5Very low207 Ų207143.1 Ų143.181%0.81280%0.795SS**  trans70.356.9165.1-69-73.3000119.5
564A43.1Very low39.5Very low101 Ų101142.2 Ų142.284%0.83580%0.801SS**  trans-112.866.6151.200000110.4
565L44.8Very low39.4Very low150 Ų150140.9 Ų140.979%0.78580%0.8SS**  trans-12866.5-174.1-72.5179.1000113.3
566Y43.4Very low39.8Very low233 Ų233143.2 Ų143.291%0.91480%0.803SS**  trans-159.795.6139.1-133.4-98.1000111
567S37.3Very low39.7Very low115 Ų115141.5 Ų141.580%0.80480%0.801SS**  trans-158.8136.8169.5-83.40000110.4
568Q41.8Very low39.3Very low190 Ų190146.8 Ų146.889%0.88881%0.807SS**  trans57.897178.4-56.9-169.227.500117.6
569R43.8Very low39.3Very low231 Ų231154.5 Ų154.587%0.87283%0.828SS**  -143.5141.7121.7-158.5144.6-71.5-132.30.1112.3
570L45.9Very low39.5Very low158 Ų158150.3 Ų150.383%0.82782%0.822SS**  trans-27.4154154.5-45.5166.7000113.1
571G36.7Very low39.5Very low66 Ų66146.5 Ų146.568%0.6882%0.82SS**  cis115118.116.700000110.6
572S34.3Very low39.9Very low133 Ų133150.3 Ų150.393%0.9384%0.835SS**  trans77.3160.2178.8-56.60000118.6
573A36.5Very low39.6Very low105 Ų105153.4 Ų153.487%0.86885%0.847SS**  trans89.6133.8172.200000118.6
574S38.3Very low39.6Very low126 Ų126150.1 Ų150.188%0.88185%0.849SS**  trans-100.9153.5-176.6-39.10000112.1
575A39.2Very low39.3Very low96 Ų96153.3 Ų153.379%0.79385%0.85SS**  trans-156.7168.7158.600000112
576L40.1Very low38.9Very low161 Ų161153.6 Ų153.684%0.84386%0.855SS**  trans-43.8157.3174.8-65.976.7000113.4
577G36.9Very low38.6Very low59 Ų59147.5 Ų147.561%0.60885%0.85SS**  cis114.4164.527.300000109.5
578Y33.5Very low38.7Very low224 Ų224150.2 Ų150.288%0.87885%0.854SS**  trans69.5135.7-157.4-59.6-89.5000113
579Q37.5Very low38.4Very low253 Ų253146.5 Ų146.5100%1.18285%0.851SS**  cis-143.70-6.6178.1175.2-27.700109.5

Retrieved 579 of 579 residues in 429.7 ms (Link to these results)