A0A096MYN0_PAPAN Loading...

Zinc finger protein 703

AlphaFold DB , UniProt , Accession A0A096MYN0, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF703, Length 591 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
1M35.2Very low40.1Very low232 Ų232138.5 Ų138.5100%1.14383%0.831SS**  081.90-55.8167.490.500104.7
2S37.3Very low40.2Very low112 Ų112137.8 Ų137.878%0.78383%0.827SS**  100.2135.498-62.10000108.2
3D41.2Very low40.5Very low148 Ų148136.8 Ų136.879%0.79183%0.826SS**  cis-138.9-177.313.5-135.7-74000114.1
4S45.3Very low39.9Very low103 Ų103140.7 Ų140.772%0.7283%0.831SS**  trans-108.3-156.7-178.6-57.90000109.9
5P54.5Low39.9Very low128 Ų128138.5 Ų138.583%0.83183%0.826SS**  cis-122.6-161.7-13.342.7-24.3000111.4
6A39.4Very low40Very low90 Ų90137.8 Ų137.874%0.74483%0.83SS**  cis-142.9172.15.500000108.6
7G33.9Very low39.8Very low75 Ų75133.8 Ų133.877%0.77382%0.823SS**  cis87.6125.933.100000110.2
8S36.6Very low39.7Very low126 Ų126134.2 Ų134.288%0.88183%0.832SS**  cis-155.2169.65.254.70000111.7
9N35.3Very low39.2Very low151 Ų151131.1 Ų131.181%0.80783%0.829SS**  trans-98-164.9-178.6-141.8-16.1000112.4
10P45Very low39.5Very low113 Ų113131.3 Ų131.373%0.73484%0.835SS**  trans-89170.4-132.841-35.6000115.3
11R37.4Very low39.1Very low246 Ų246128.7 Ų128.793%0.92883%0.833SS**  trans-108.8124.6166.8-79.8-174.3172.7-178.6-2.2112.2
12T41.8Very low39.5Very low129 Ų129122 Ų12279%0.79182%0.824SS**  trans-84.9166.2147.547.50000110
13P43.9Very low39.4Very low125 Ų125120 Ų12081%0.81282%0.821SS**  trans-122.5159.7140.336-29.2000111.7
14E32.2Very low39.2Very low192 Ų192116.7 Ų116.790%0.89782%0.822SS**  trans-85.5172.8-174.4-82.6-17374.900115
15S39.3Very low38.9Very low107 Ų107121.7 Ų121.775%0.74883%0.83SS**  trans-67.3153172.7-175.80000112.6
16S42.2Very low38.4Very low127 Ų127126.7 Ų126.789%0.88883%0.833SS**  trans-149.7128.1154.9-74.30000107.7
17G36.2Very low38.5Very low70 Ų70128.4 Ų128.472%0.72284%0.837SS**  trans-145-168.8-172.700000113.6
18S38.5Very low39Very low141 Ų141129.3 Ų129.399%0.98684%0.837SS**  trans93.1143.5-177.5-156.90000115.5
19G30.6Very low39.4Very low75 Ų75129 Ų12977%0.77383%0.829SS**  trans13677.8-178.300000113.8
20S44.2Very low40.1Very low135 Ų135127.5 Ų127.594%0.94483%0.828SS**  trans-72.8136.2176.4-66.80000112.6
21G31Very low40.4Very low78 Ų78125.3 Ų125.380%0.80482%0.819SS**  trans-137.7109.6168.100000110.9
22G43.4Very low41.2Very low92 Ų92117 Ų11795%0.94880%0.803SS**  trans-77.8123.4-178.800000112.5
23G35.6Very low41.8Very low69 Ų69113.7 Ų113.771%0.71178%0.782SS**  trans-136.5136.7175.300000111.5K25G23-K25 PolarHBondContact O-N 3.43Å
24G36.9Very low42.4Very low79 Ų79112.1 Ų112.181%0.81477%0.774SS**  trans-64.1126.1-171.300000113.8R26G24-R26 PolarHBondContact O-N 3.36Å
25K38.9Very low43.5Very low207 Ų207110.5 Ų110.590%0.977%0.771SS**  trans-69.990175.4-69.3-176.3178.6179.80111.2G23G23-K25 PolarHBondContact O-N 3.43Å
26R43.8Very low44.7Very low233 Ų233108.6 Ų108.688%0.87975%0.752SS**  trans-59.6135.1158.1-77.1-176.7166.2-160.6-3.9109G24 A28G24-R26 PolarHBondContact O-N 3.36Å; R26-A28 PolarHBondContact O-N 2.96Å; R26-A28 VanDerWaalsContact O-N 3.09Å
27P41.1Very low46.1Very low127 Ų127106.5 Ų106.583%0.82574%0.735SS**  trans-67.6108.3167.427.9-32000108.8V29P27-V29 PolarHBondContact O-N 2.88Å
28A44.2Very low47.5Very low94 Ų94108 Ų10878%0.77773%0.732SS**  trans-69.9124.1175.900000109.7R26R26-A28 PolarHBondContact O-N 2.96Å; R26-A28 VanDerWaalsContact O-N 3.09Å
29V46.7Very low49.1Very low120 Ų120105 Ų10573%0.72772%0.716SS**  trans-60.8132.2-178.4-161.20000109.6P27 A31P27-V29 PolarHBondContact O-N 2.88Å; V29-A31 HydrophobicContact CG1-CB 4.43Å; V29-A31 PolarHBondContact O-N 2.95Å
30P49.7Very low51.4Low119 Ų119103 Ų10377%0.77369%0.687SS**THydrogen-bonded Turntrans-74.732.4-175.731.6-37.4000114.3
31A50.8Low52.8Low67 Ų67101.1 Ų101.155%0.55467%0.672SS**THydrogen-bonded Turntrans-82.7-29.5-176.100000113.9V29 V33V29-A31 HydrophobicContact CG1-CB 4.43Å; V29-A31 PolarHBondContact O-N 2.95Å; A31-V33 PolarHBondContact O-N 3.32Å
32A54.8Low54.8Low70 Ų70103.1 Ų103.158%0.57966%0.664SS**G310 helixtrans-71.8-29.3-169.300000114.7S34 L35A32-S34 PolarHBondContact O-N 3.43Å; A32-S34 VanDerWaalsContact O-N 3.16Å; A32-L35 PolarHBondContact O-N 3.07Å
33V54.5Low56.2Low60 Ų60101.7 Ų101.736%0.36463%0.63SS.*G310 helixtrans-69.8-15.2-172.4-168.50000112.6A31 R43A31-V33 PolarHBondContact O-N 3.32Å; V33-R43 HydrophobicContact CG1-CG 4.11Å; V33-R43 VanDerWaalsContact O-CD 3.29Å; V33-R43 WeakPolarHBondContact O-CD 3.27Å; V33-R43 VanDerWaalsContact O-CZ 3.31Å; V33-R43 PolarHBondContact O-NE 3.23Å
34S55.1Low57.9Low93 Ų93103.7 Ų103.765%0.6562%0.621SS**G310 helixtrans-81.7-15.6179.1-65.70000114.5A32A32-S34 PolarHBondContact O-N 3.43Å; A32-S34 VanDerWaalsContact O-N 3.16Å
35L56.7Low59.4Low158 Ų158104 Ų10483%0.82762%0.615SS**SBendtrans-92.8-10.2-178.1-64.2176.3000113.9A32A32-L35 PolarHBondContact O-N 3.07Å
36L63.6Low60.8Low67 Ų6799.8 Ų99.835%0.35160%0.603SS.*SBendtrans-85.5142.4-176.1-64.5170.8000111.9D40 R43L36-D40 HydrophobicContact CB-CB 4.24Å; L36-R43 HydrophobicContact CB-CG 3.69Å; L36-R43 HydrophobicContact CD1-CG 4.29Å; L36-R43 WeakPolarHBondContact O-CD 3.33Å; L36-R43 PolarHBondContact O-NH1 3.47Å
37P70.8Confident62.2Low82 Ų8296 Ų9653%0.53259%0.588SS.*  trans-55.6153.1-178.7-27.535.4000114A39 D40P37-A39 PolarHBondContact O-N 2.93Å; P37-D40 WeakPolarHBondContact O-CB 3.4Å; P37-D40 PolarHBondContact O-N 2.9Å
38P65.9Low63.7Low102 Ų10295 Ų9566%0.66258%0.576SS**THydrogen-bonded Turntrans-59.2-19.6179.9-26.135.6000115.5
39A71.8Confident65.3Low77 Ų7794.3 Ų94.364%0.63656%0.564SS**THydrogen-bonded Turntrans-90.4-4179.500000114.5P37 P41P37-A39 PolarHBondContact O-N 2.93Å; A39-P41 WeakPolarHBondContact O-CD 3.47Å
40D78.8Confident66.1Low33 Ų3395.7 Ų95.718%0.17657%0.565CS.*  trans-65.9124.4-176.9-173.4-43.9000111.8L36 P37 L42 R43 Q44L36-D40 HydrophobicContact CB-CB 4.24Å; P37-D40 WeakPolarHBondContact O-CB 3.4Å; P37-D40 PolarHBondContact O-N 2.9Å; D40-L42 VanDerWaalsContact C-N 3.27Å; D40-L42 PolarHBondContact O-N 3.01Å; D40-L42 WeakPolarHBondContact OD1-CA 3.44Å; D40-L42 WeakPolarHBondContact OD1-CB 3.29Å; D40-L42 PolarHBondContact OD1-N 3.03Å; D40-R43 HydrophobicContact CB-CB 4.18Å; D40-R43 HydrophobicContact CB-CG 4.13Å; D40-R43 WeakPolarHBondContact O-CB 3.42Å; D40-R43 PolarHBondContact O-N 3.12Å; D40-R43 VanDerWaalsContact O-N 3.07Å; D40-Q44 WeakPolarHBondContact O-CG 3.43Å; D40-Q44 PolarHBondContact O-N 2.78Å
41P75.3Confident66.7Low97 Ų97100.5 Ų100.563%0.6357%0.568SS**Hα-helixtrans-56-35.4177.9-26.835.6000114.4A39 Q44 A45A39-P41 WeakPolarHBondContact O-CD 3.47Å; P41-Q44 PolarHBondContact O-N 3.23Å; P41-A45 WeakPolarHBondContact O-CB 3.47Å; P41-A45 PolarHBondContact O-N 2.95Å
42L72.5Confident67.3Low120 Ų120100.2 Ų100.263%0.62856%0.559SS**Hα-helixtrans-71.4-32.1178.3-61.4176.6000111.5D40 N46D40-L42 VanDerWaalsContact C-N 3.27Å; D40-L42 PolarHBondContact O-N 3.01Å; D40-L42 WeakPolarHBondContact OD1-CA 3.44Å; D40-L42 WeakPolarHBondContact OD1-CB 3.29Å; D40-L42 PolarHBondContact OD1-N 3.03Å; L42-N46 PolarHBondContact O-N 3.18Å; L42-N46 PolarHBondContact O-ND2 3.06Å
43R72.1Confident67.6Low62 Ų62101.1 Ų101.123%0.23455%0.554CS.*Hα-helixtrans-68-40.5168-75.3-150.170.7175.48.8112V33 L36 D40 N46 R47V33-R43 HydrophobicContact CG1-CG 4.11Å; V33-R43 VanDerWaalsContact O-CD 3.29Å; V33-R43 WeakPolarHBondContact O-CD 3.27Å; V33-R43 VanDerWaalsContact O-CZ 3.31Å; V33-R43 PolarHBondContact O-NE 3.23Å; L36-R43 HydrophobicContact CB-CG 3.69Å; L36-R43 HydrophobicContact CD1-CG 4.29Å; L36-R43 WeakPolarHBondContact O-CD 3.33Å; L36-R43 PolarHBondContact O-NH1 3.47Å; D40-R43 HydrophobicContact CB-CB 4.18Å; D40-R43 HydrophobicContact CB-CG 4.13Å; D40-R43 WeakPolarHBondContact O-CB 3.42Å; D40-R43 PolarHBondContact O-N 3.12Å; D40-R43 VanDerWaalsContact O-N 3.07Å; R43-N46 PolarHBondContact O-N 3.49Å; R43-R47 PolarHBondContact O-N 3.38Å
44Q71.5Confident67.9Low110 Ų110106.2 Ų106.251%0.51457%0.571SS.*Hα-helixtrans-67.2-42.4-179.2-68.21799.500111.7D40 P41 N46 R47D40-Q44 WeakPolarHBondContact O-CG 3.43Å; D40-Q44 PolarHBondContact O-N 2.78Å; P41-Q44 PolarHBondContact O-N 3.23Å; Q44-N46 PolarHBondContact O-N 3.28Å; Q44-R47 PolarHBondContact O-N 3.13Å; Q44-R47 VanDerWaalsContact O-N 3.09Å
45A68.4Low68.1Low85 Ų85108.2 Ų108.270%0.70257%0.572SS**Hα-helixtrans-59.8-28.8174.200000113.5P41P41-A45 WeakPolarHBondContact O-CB 3.47Å; P41-A45 PolarHBondContact O-N 2.95Å
46N68.8Low68.2Low119 Ų119105.6 Ų105.664%0.63656%0.558SS**THydrogen-bonded Turntrans-95.77.3177.7-73.5-83.7000114L42 R43 Q44 L48L42-N46 PolarHBondContact O-N 3.18Å; L42-N46 PolarHBondContact O-ND2 3.06Å; R43-N46 PolarHBondContact O-N 3.49Å; Q44-N46 PolarHBondContact O-N 3.28Å; N46-L48 PolarHBondContact O-N 2.88Å
47R72.7Confident68Low153 Ų153106.2 Ų106.258%0.57757%0.568SS**  trans-80110.1172.6-81.7-179.4177.2-83.44.4110.6R43 Q44R43-R47 PolarHBondContact O-N 3.38Å; Q44-R47 PolarHBondContact O-N 3.13Å; Q44-R47 VanDerWaalsContact O-N 3.09Å
48L72.3Confident67.4Low106 Ų106105.8 Ų105.856%0.55557%0.571SS**  trans-52.9136.2164.1-66.5177.4000110.2N46 L53N46-L48 PolarHBondContact O-N 2.88Å; L48-L53 HydrophobicContact CB-CD1 3.52Å; L48-L53 HydrophobicContact CD1-CD1 4.24Å
49P77.8Confident66.8Low81 Ų81108.4 Ų108.453%0.52657%0.574SS.*  trans-57.7145.3-179.1-2634000112.5R51 V52 L53P49-R51 PolarHBondContact O-N 3.43Å; P49-V52 HydrophobicContact CB-CG2 4.2Å; P49-V52 HydrophobicContact CG-CG2 4.24Å; P49-V52 WeakPolarHBondContact O-CA 3.42Å; P49-V52 WeakPolarHBondContact O-CB 3.39Å; P49-V52 PolarHBondContact O-N 3.41Å; P49-L53 PolarHBondContact O-N 3.22Å; P49-L53 VanDerWaalsContact O-N 3.09Å
50I65.4Low65.9Low149 Ų149109.4 Ų109.476%0.76457%0.573SS**Hα-helixtrans-56-32.3-178.6-60.9171.9000111.9L53 K54I50-L53 PolarHBondContact O-N 2.76Å; I50-K54 WeakPolarHBondContact O-CB 3.39Å; I50-K54 PolarHBondContact O-N 2.99Å
51R60.3Low64.7Low220 Ų220110.3 Ų110.383%0.8359%0.59SS**Hα-helixtrans-62.5-40.5173-63.9-179.2-176.61631112.4P49 K54 M55P49-R51 PolarHBondContact O-N 3.43Å; R51-K54 PolarHBondContact O-N 2.82Å; R51-M55 WeakPolarHBondContact O-CG 3.43Å; R51-M55 PolarHBondContact O-N 3.09Å
52V63.7Low63.6Low60 Ų60114.1 Ų114.136%0.36460%0.599SS.*Hα-helixtrans-69.6-44.3177.9178.10000110.5P49 K54 M55 L56P49-V52 HydrophobicContact CB-CG2 4.2Å; P49-V52 HydrophobicContact CG-CG2 4.24Å; P49-V52 WeakPolarHBondContact O-CA 3.42Å; P49-V52 WeakPolarHBondContact O-CB 3.39Å; P49-V52 PolarHBondContact O-N 3.41Å; V52-K54 VanDerWaalsContact C-N 3.3Å; V52-K54 PolarHBondContact O-N 2.79Å; V52-M55 PolarHBondContact O-N 3.22Å; V52-L56 HydrophobicContact CG1-CD1 3.95Å; V52-L56 WeakPolarHBondContact O-CD1 3.22Å; V52-L56 PolarHBondContact O-N 2.72Å
53L61.7Low62.6Low90 Ų90116 Ų11647%0.47161%0.609SS.*Hα-helixtrans-56-45.1171.9-100.470000111.5L48 P49 I50 M55 L56 S57L48-L53 HydrophobicContact CB-CD1 3.52Å; L48-L53 HydrophobicContact CD1-CD1 4.24Å; P49-L53 PolarHBondContact O-N 3.22Å; P49-L53 VanDerWaalsContact O-N 3.09Å; I50-L53 PolarHBondContact O-N 2.76Å; L53-M55 VanDerWaalsContact C-N 3.32Å; L53-M55 PolarHBondContact O-N 2.83Å; L53-L56 PolarHBondContact O-N 3.49Å; L53-S57 WeakPolarHBondContact O-CB 3.37Å; L53-S57 PolarHBondContact O-N 3.13Å; L53-S57 PolarHBondContact O-OG 3.4Å
54K61.2Low61.5Low166 Ų166119.9 Ų119.972%0.72263%0.633SS**Hα-helixtrans-64.1-35.1179.1-169.7167.3-178.1174.20112.8I50 R51 V52 A58I50-K54 WeakPolarHBondContact O-CB 3.39Å; I50-K54 PolarHBondContact O-N 2.99Å; R51-K54 PolarHBondContact O-N 2.82Å; V52-K54 VanDerWaalsContact C-N 3.3Å; V52-K54 PolarHBondContact O-N 2.79Å; K54-A58 WeakPolarHBondContact O-CB 3.33Å; K54-A58 PolarHBondContact O-N 2.94Å; K54-A58 VanDerWaalsContact O-N 3.08Å
55M59.5Low60.1Low136 Ų136121.3 Ų121.367%0.6764%0.64SS**Hα-helixtrans-68.8-44.2173.2-69.3-61.9-67.400112.2R51 V52 L53 A58 H59R51-M55 WeakPolarHBondContact O-CG 3.43Å; R51-M55 PolarHBondContact O-N 3.09Å; V52-M55 PolarHBondContact O-N 3.22Å; L53-M55 VanDerWaalsContact C-N 3.32Å; L53-M55 PolarHBondContact O-N 2.83Å; M55-A58 PolarHBondContact O-N 2.73Å; M55-H59 PolarHBondContact O-N 2.82Å; M55-H59 VanDerWaalsContact O-N 3.09Å
56L59.2Low59.3Low103 Ų103121.5 Ų121.554%0.53963%0.634SS.*Hα-helixtrans-64.2-45.6177.6-92.566.2000111.5V52 L53 A58 H59 T60V52-L56 HydrophobicContact CG1-CD1 3.95Å; V52-L56 WeakPolarHBondContact O-CD1 3.22Å; V52-L56 PolarHBondContact O-N 2.72Å; L53-L56 PolarHBondContact O-N 3.49Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 3.19Å; L56-H59 PolarHBondContact O-N 3.18Å; L56-H59 VanDerWaalsContact O-N 3.14Å; L56-T60 PolarHBondContact O-N 3.37Å; L56-T60 PolarHBondContact O-OG1 3.18Å
57S59.3Low58.4Low80 Ų80121.4 Ų121.456%0.55963%0.63SS**Hα-helixtrans-64.2-33.3176.6-65.10000113.2L53 T60 G61L53-S57 WeakPolarHBondContact O-CB 3.37Å; L53-S57 PolarHBondContact O-N 3.13Å; L53-S57 PolarHBondContact O-OG 3.4Å; S57-T60 WeakPolarHBondContact CA-OG1 3.29Å; S57-T60 PolarHBondContact O-OG1 3.37Å; S57-G61 PolarHBondContact O-N 3.06Å
58A57.1Low57.1Low72 Ų72123.8 Ų123.860%0.59564%0.64SS**Hα-helixtrans-65.6-39.5172.600000111.7K54 M55 L56 G61K54-A58 WeakPolarHBondContact O-CB 3.33Å; K54-A58 PolarHBondContact O-N 2.94Å; K54-A58 VanDerWaalsContact O-N 3.08Å; M55-A58 PolarHBondContact O-N 2.73Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 3.19Å; A58-G61 PolarHBondContact O-N 3.41Å
59H53.4Low55.9Low158 Ų158126.3 Ų126.373%0.73165%0.653SS**Hα-helixtrans-78-23.5-177.9-149.8-48.7000113.8M55 L56M55-H59 PolarHBondContact O-N 2.82Å; M55-H59 VanDerWaalsContact O-N 3.09Å; L56-H59 PolarHBondContact O-N 3.18Å; L56-H59 VanDerWaalsContact O-N 3.14Å
60T53.7Low54.3Low98 Ų98129.3 Ų129.360%0.60166%0.66SS**Hα-helixtrans-80.6-17.917348.80000113.9L56 S57 H62L56-T60 PolarHBondContact O-N 3.37Å; L56-T60 PolarHBondContact O-OG1 3.18Å; S57-T60 WeakPolarHBondContact CA-OG1 3.29Å; S57-T60 PolarHBondContact O-OG1 3.37Å; T60-H62 PolarHBondContact O-N 2.95Å
61G52.5Low53.4Low52 Ų52128.1 Ų128.154%0.53666%0.662SS.*G310 helixtrans-68.8-13.6-17900000115S57 A58S57-G61 PolarHBondContact O-N 3.06Å; A58-G61 PolarHBondContact O-N 3.41Å
62H52.3Low52.5Low177 Ų177125.8 Ų125.882%0.81967%0.665SS**G310 helixtrans-93.12.2-171.2-137.8-52.8000115.1T60T60-H62 PolarHBondContact O-N 2.95Å
63L52.5Low51.2Low159 Ų159127.9 Ų127.983%0.83268%0.683SS**G310 helixtrans-110.3-0.5179.3-74172.8000114.2
64L48.3Very low50.3Low144 Ų144129.2 Ų129.275%0.75470%0.7SS**SBendtrans-132110.8175.5-66.7175.2000109.1P66L64-P66 VanDerWaalsContact O-CD 3.25Å; L64-P66 WeakPolarHBondContact O-CD 3.43Å
65H41.5Very low49Very low140 Ų140127.4 Ų127.465%0.64870%0.702SS**  trans-64.5114.4175.5-103.6-73.3000110.5E67 Y68H65-E67 IonicContact CE1-OE2 2.75Å; H65-E67 IonicContact CG-OE2 3.54Å; H65-E67 IonicContact ND1-OE2 2.68Å; H65-E67 PolarHBondContact ND1-OE2 3.41Å; H65-E67 PolarHBondContact O-N 3.4Å; H65-Y68 HydrophobicContact CB-CD2 3.87Å; H65-Y68 HydrophobicContact CB-CE2 4.18Å
66P52.7Low48.7Very low89 Ų89127 Ų12758%0.57871%0.71SS**G310 helixtrans-67.6-16.8177.128-35.2000113.3L64 Y68 L69L64-P66 VanDerWaalsContact O-CD 3.25Å; L64-P66 WeakPolarHBondContact O-CD 3.43Å; P66-Y68 PolarHBondContact O-N 3.14Å; P66-Y68 VanDerWaalsContact O-N 3.15Å; P66-L69 PolarHBondContact O-N 3.22Å; P66-L69 VanDerWaalsContact O-N 3.1Å
67E49.9Very low47.7Very low117 Ų117129 Ų12955%0.54773%0.726SS.*G310 helixtrans-63.1-18.8-178.6-67.669.4-151.600113.7H65H65-E67 IonicContact CE1-OE2 2.75Å; H65-E67 IonicContact CG-OE2 3.54Å; H65-E67 IonicContact ND1-OE2 2.68Å; H65-E67 PolarHBondContact ND1-OE2 3.41Å; H65-E67 PolarHBondContact O-N 3.4Å
68Y45.8Very low47Very low202 Ų202130.1 Ų130.179%0.79273%0.734SS**G310 helixtrans-84.3-3175.8-72.3-75000114.7H65 P66H65-Y68 HydrophobicContact CB-CD2 3.87Å; H65-Y68 HydrophobicContact CB-CE2 4.18Å; P66-Y68 PolarHBondContact O-N 3.14Å; P66-Y68 VanDerWaalsContact O-N 3.15Å
69L46.7Very low46.6Very low160 Ų160132.2 Ų132.284%0.83874%0.741SS**G310 helixtrans-124.831.8178.5-71.5177.9000113.6P66 P71P66-L69 PolarHBondContact O-N 3.22Å; P66-L69 VanDerWaalsContact O-N 3.1Å; L69-P71 WeakPolarHBondContact O-CD 3.17Å
70Q44.4Very low46.1Very low143 Ų143131.3 Ų131.367%0.66874%0.74SS**  trans-90.4113.7163-68.2-166.6-6.600110.7L72Q70-L72 PolarHBondContact O-N 3.03Å
71P46.5Very low46.2Very low124 Ų124136 Ų13681%0.80576%0.756SS**  trans-64.9122.6163.128.1-31.9000108.1L69 S73L69-P71 WeakPolarHBondContact O-CD 3.17Å; P71-S73 PolarHBondContact O-N 3.09Å
72L40.5Very low46.3Very low171 Ų171140.7 Ų140.790%0.89577%0.767SS**  trans-55.1109.2-170.1-67.6173000112Q70 S74Q70-L72 PolarHBondContact O-N 3.03Å; L72-S74 PolarHBondContact O-N 3.28Å
73S36.7Very low46.4Very low105 Ų105135.7 Ų135.773%0.73475%0.747SS**  trans-66.2115.3177.453.90000110.3P71 T75P71-S73 PolarHBondContact O-N 3.09Å; S73-T75 PolarHBondContact O-N 3.36Å
74S43.3Very low46.5Very low118 Ų118131.9 Ų131.983%0.82574%0.738SS**  trans-71.9105.6-173.355.80000113.2L72L72-S74 PolarHBondContact O-N 3.28Å
75T34Very low46.8Very low127 Ų127133.2 Ų133.278%0.77974%0.738SS**  trans-137.2141.8162.846.40000110.8S73S73-T75 PolarHBondContact O-N 3.36Å
76P52.6Low47.6Very low127 Ų127135.5 Ų135.583%0.82575%0.746SS**  trans-97.9146.4-167.336.8-34.7000114.4
77V39.2Very low48.4Very low147 Ų147133.7 Ų133.789%0.89174%0.735SS**  trans-156.7152.8142.11450000107.7
78S42.9Very low49.8Very low102 Ų102132.9 Ų132.971%0.71374%0.741SS**  trans-101.5-154.4-174.549.80000112.7
79P48.6Very low51.2Low116 Ų116129.6 Ų129.675%0.75374%0.736SS**  -108.5150.7-95.936.2-23.4000113.1
80I43.9Very low52.6Low139 Ų139123.9 Ų123.971%0.71371%0.712SS**  trans-127.9112.7178-65.4179.6000110.1L82I80-L82 HydrophobicContact CG2-CB 3.95Å; I80-L82 HydrophobicContact CG2-CD1 3.64Å; I80-L82 HydrophobicContact CG2-CG 3.5Å; I80-L82 PolarHBondContact O-N 3.08Å
81E55.5Low54.2Low198 Ų198122.2 Ų122.293%0.92571%0.707SS**  trans-78.859.4176.1-62.4-173.3123.700111.8D83E81-D83 VanDerWaalsContact C-N 3.27Å; E81-D83 PolarHBondContact O-N 3.25Å
82L55.6Low55.8Low149 Ų149121.5 Ų121.578%0.7870%0.696SS**  trans-78.776.2179.7-94.6172.4000113I80 A84I80-L82 HydrophobicContact CG2-CB 3.95Å; I80-L82 HydrophobicContact CG2-CD1 3.64Å; I80-L82 HydrophobicContact CG2-CG 3.5Å; I80-L82 PolarHBondContact O-N 3.08Å; L82-A84 PolarHBondContact O-N 3.49Å
83D53.7Low57.5Low73 Ų73116.2 Ų116.239%0.3968%0.677SS.*  trans38.780.4143.4-159.924.2000117.2E81 K85 K86E81-D83 VanDerWaalsContact C-N 3.27Å; E81-D83 PolarHBondContact O-N 3.25Å; D83-K85 PolarHBondContact O-N 3.4Å; D83-K85 WeakPolarHBondContact OD1-CE 3.45Å; D83-K85 WeakPolarHBondContact OD1-CG 3.45Å; D83-K85 IonicContact OD1-NZ 2.72Å; D83-K85 PolarHBondContact OD1-NZ 2.83Å; D83-K85 IonicContact OD2-NZ 3.79Å; D83-K85 PolarHBondContact OD2-NZ 3.31Å; D83-K86 PolarHBondContact O-N 3.41Å
84A54.3Low59.3Low79 Ų79117.2 Ų117.265%0.65367%0.67SS**G310 helixtrans-54.5-19.8-17500000115.5L82 K86 A90L82-A84 PolarHBondContact O-N 3.49Å; A84-K86 PolarHBondContact O-N 3.24Å; A84-A90 WeakPolarHBondContact O-CB 3.1Å
85K54.9Low60.7Low172 Ų172114.6 Ų114.675%0.74865%0.649SS**G310 helixtrans-75.95.5176.147.2174.416364.30115.2D83D83-K85 PolarHBondContact O-N 3.4Å; D83-K85 WeakPolarHBondContact OD1-CE 3.45Å; D83-K85 WeakPolarHBondContact OD1-CG 3.45Å; D83-K85 IonicContact OD1-NZ 2.72Å; D83-K85 PolarHBondContact OD1-NZ 2.83Å; D83-K85 IonicContact OD2-NZ 3.79Å; D83-K85 PolarHBondContact OD2-NZ 3.31Å
86K59.1Low62.7Low187 Ų187112.8 Ų112.881%0.81364%0.64SS**G310 helixtrans-131.714170.2-109.2171-177.2173.80115.8D83 A84D83-K86 PolarHBondContact O-N 3.41Å; A84-K86 PolarHBondContact O-N 3.24Å
87S69.4Low63.8Low51 Ų51109.7 Ų109.736%0.35762%0.622SS.*  trans-69.1130.4168.6173.80000110.9L89 A90 L91S87-L89 PolarHBondContact O-N 2.8Å; S87-L89 PolarHBondContact OG-N 3.09Å; S87-A90 WeakPolarHBondContact O-CB 3.46Å; S87-A90 PolarHBondContact O-N 3.44Å; S87-L91 PolarHBondContact O-N 3.27Å
88P78.5Confident64.9Low101 Ų101109.2 Ų109.266%0.65661%0.61SS**Hα-helixtrans-56.3-32.1173.1-25.334.6000112.8L91 L92P88-L91 PolarHBondContact O-N 2.87Å; P88-L92 WeakPolarHBondContact O-CG 3.47Å; P88-L92 PolarHBondContact O-N 3.41Å
89L75.8Confident66Low133 Ų133111.2 Ų111.270%0.69661%0.611SS**Hα-helixtrans-73.8-32.5179.5-156.2151.9000111.5S87 A93S87-L89 PolarHBondContact O-N 2.8Å; S87-L89 PolarHBondContact OG-N 3.09Å; L89-A93 WeakPolarHBondContact O-CB 3.5Å; L89-A93 PolarHBondContact O-N 3.35Å
90A75.9Confident66.3Low39 Ų39109 Ų10932%0.32261%0.609SS.*Hα-helixtrans-70.7-38.4171.100000112A84 S87 A93 Q94A84-A90 WeakPolarHBondContact O-CB 3.1Å; S87-A90 WeakPolarHBondContact O-CB 3.46Å; S87-A90 PolarHBondContact O-N 3.44Å; A90-A93 PolarHBondContact O-N 2.78Å; A90-Q94 WeakPolarHBondContact O-CB 3.25Å; A90-Q94 PolarHBondContact O-N 3.09Å
91L76.9Confident66.8Low108 Ų108108.9 Ų108.957%0.56560%0.603SS**Hα-helixtrans-62.7-43.7173.9-177.763000111.4S87 P88 Q94 T95S87-L91 PolarHBondContact O-N 3.27Å; P88-L91 PolarHBondContact O-N 2.87Å; L91-Q94 PolarHBondContact O-N 3.49Å; L91-T95 WeakPolarHBondContact O-CG2 3.32Å; L91-T95 PolarHBondContact O-N 3.23Å; L91-T95 PolarHBondContact O-OG1 3.25Å
92L80.1Confident66.5Low110 Ų110105.4 Ų105.458%0.57660%0.598SS**Hα-helixtrans-58.3-50.3173-73.8168.7000111.2P88 Q94 T95 C96P88-L92 WeakPolarHBondContact O-CG 3.47Å; P88-L92 PolarHBondContact O-N 3.41Å; L92-Q94 VanDerWaalsContact C-N 3.28Å; L92-Q94 PolarHBondContact O-N 2.9Å; L92-T95 PolarHBondContact O-N 2.9Å; L92-T95 VanDerWaalsContact O-N 3.14Å; L92-T95 PolarHBondContact O-OG1 2.89Å; L92-C96 PolarHBondContact O-N 3.32Å; L92-C96 PolarHBondContact O-SG 3.42Å; L92-C96 VanDerWaalsContact O-SG 3.34Å
93A77.2Confident65.9Low60 Ų60105.4 Ų105.450%0.49660%0.599SS.*Hα-helixtrans-57.6-38.4176.500000113L89 A90 S97L89-A93 WeakPolarHBondContact O-CB 3.5Å; L89-A93 PolarHBondContact O-N 3.35Å; A90-A93 PolarHBondContact O-N 2.78Å; A93-S97 WeakPolarHBondContact O-CB 3.45Å; A93-S97 PolarHBondContact O-N 3.07Å
94Q73.6Confident66.3Low125 Ų125106.7 Ų106.758%0.58461%0.611SS**Hα-helixtrans-65.3-47.3174.7-175.4175-11.100111.7A90 L91 L92 C96 S97 Q98A90-Q94 WeakPolarHBondContact O-CB 3.25Å; A90-Q94 PolarHBondContact O-N 3.09Å; L91-Q94 PolarHBondContact O-N 3.49Å; L92-Q94 VanDerWaalsContact C-N 3.28Å; L92-Q94 PolarHBondContact O-N 2.9Å; Q94-C96 PolarHBondContact O-N 3.17Å; Q94-S97 WeakPolarHBondContact O-CB 3.48Å; Q94-S97 PolarHBondContact O-N 2.81Å; Q94-S97 VanDerWaalsContact O-N 3.1Å; Q94-Q98 PolarHBondContact O-N 3.26Å; Q94-Q98 VanDerWaalsContact O-N 3.08Å
95T74Confident65.7Low63 Ų63108.4 Ų108.439%0.38762%0.616SS.*Hα-helixtrans-61.6-41.617757.40000112.3L91 L92 S97 Q98 I99L91-T95 WeakPolarHBondContact O-CG2 3.32Å; L91-T95 PolarHBondContact O-N 3.23Å; L91-T95 PolarHBondContact O-OG1 3.25Å; L92-T95 PolarHBondContact O-N 2.9Å; L92-T95 VanDerWaalsContact O-N 3.14Å; L92-T95 PolarHBondContact O-OG1 2.89Å; T95-S97 VanDerWaalsContact C-N 3.3Å; T95-S97 PolarHBondContact O-N 2.97Å; T95-Q98 WeakPolarHBondContact O-CB 3.49Å; T95-Q98 PolarHBondContact O-N 3.45Å; T95-I99 WeakPolarHBondContact O-CD1 3.45Å; T95-I99 WeakPolarHBondContact O-CG1 3.46Å; T95-I99 PolarHBondContact O-N 3.49Å
96C75.2Confident65.2Low89 Ų89106.5 Ų106.560%0.60162%0.62SS**Hα-helixtrans-62.2-35.3173.5-64.30000112.5L92 Q94 Q98L92-C96 PolarHBondContact O-N 3.32Å; L92-C96 PolarHBondContact O-SG 3.42Å; L92-C96 VanDerWaalsContact O-SG 3.34Å; Q94-C96 PolarHBondContact O-N 3.17Å; C96-Q98 VanDerWaalsContact C-N 3.27Å; C96-Q98 PolarHBondContact O-N 2.8Å
97S75.7Confident64.1Low62 Ų62103.2 Ų103.243%0.43462%0.621SS.*Hα-helixtrans-72.5-17.3174.7-157.80000113.8A93 Q94 T95 K101A93-S97 WeakPolarHBondContact O-CB 3.45Å; A93-S97 PolarHBondContact O-N 3.07Å; Q94-S97 WeakPolarHBondContact O-CB 3.48Å; Q94-S97 PolarHBondContact O-N 2.81Å; Q94-S97 VanDerWaalsContact O-N 3.1Å; T95-S97 VanDerWaalsContact C-N 3.3Å; T95-S97 PolarHBondContact O-N 2.97Å; S97-K101 WeakPolarHBondContact O-CE 3.46Å; S97-K101 PolarHBondContact O-NZ 2.72Å; S97-K101 PolarHBondContact OG-NZ 2.76Å
98Q62.9Low62.7Low137 Ų137105.9 Ų105.964%0.6464%0.64SS**Hα-helixtrans-82.1-35.8176.4-151.180.621.400111.7Q94 T95 C96 G100Q94-Q98 PolarHBondContact O-N 3.26Å; Q94-Q98 VanDerWaalsContact O-N 3.08Å; T95-Q98 WeakPolarHBondContact O-CB 3.49Å; T95-Q98 PolarHBondContact O-N 3.45Å; C96-Q98 VanDerWaalsContact C-N 3.27Å; C96-Q98 PolarHBondContact O-N 2.8Å; Q98-G100 VanDerWaalsContact C-N 3.3Å; Q98-G100 PolarHBondContact O-N 3.23Å
99I64.8Low61Low145 Ų145110.4 Ų110.474%0.74465%0.649SS**Hα-helixtrans-75.4-14.6-171.7-68162.1000113.3T95T95-I99 WeakPolarHBondContact O-CD1 3.45Å; T95-I99 WeakPolarHBondContact O-CG1 3.46Å; T95-I99 PolarHBondContact O-N 3.49Å
100G56.3Low59.2Low68 Ų68111.5 Ų111.570%0.70166%0.655SS**THydrogen-bonded Turntrans-107.413.2-174.500000116.8Q98Q98-G100 VanDerWaalsContact C-N 3.3Å; Q98-G100 PolarHBondContact O-N 3.23Å
101K53.9Low57.2Low137 Ų137117.1 Ų117.160%0.59668%0.68SS**SBendtrans-120.7132.3-177.5-66175.4-173.9125.10110.8S97S97-K101 WeakPolarHBondContact O-CE 3.46Å; S97-K101 PolarHBondContact O-NZ 2.72Å; S97-K101 PolarHBondContact OG-NZ 2.76Å
102P48.3Very low55.3Low126 Ų126117.6 Ų117.682%0.81869%0.692SS**PPolyproline II helixtrans-67.3139.9170.529.4-33.6000110.2
103D44.3Very low53.3Low149 Ų149119.4 Ų119.480%0.79771%0.707SS**PPolyproline II helixtrans-71.4128.9-176.3-15827.1000110.8
104P61.3Low51.2Low100 Ų100121.7 Ų121.765%0.64973%0.726SS**PPolyproline II helixtrans-70141.1173.929.1-34.2000110.7
105P42Very low49.4Very low115 Ų115120.5 Ų120.575%0.74774%0.737SS**PPolyproline II helixtrans-67.9139.5-172.527.3-35.3000112.4S107P105-S107 PolarHBondContact O-N 3Å
106P45Very low47.8Very low131 Ų131122.6 Ų122.685%0.85176%0.761SS**PPolyproline II helixtrans-75.4120.2-179.829.8-34.2000111.5
107S36.2Very low45.9Very low119 Ų119123.3 Ų123.383%0.83277%0.773SS**  trans-138.4143.4164.962.10000110.5P105P105-S107 PolarHBondContact O-N 3Å
108S38.2Very low44Very low106 Ų106125.4 Ų125.474%0.74179%0.794SS**  trans-110.9139.2-161.4-64.20000113.2
109K42.8Very low42.8Very low197 Ų197127 Ų12786%0.85781%0.808SS**  trans72.7138.7174.4-49.8168-175.8175.80111.8
110L39.9Very low41Very low156 Ų156122.8 Ų122.882%0.81780%0.8SS**  cis-141.7172.640.1-75.6163000114.6
111N33.8Very low40.1Very low157 Ų157128 Ų12884%0.8481%0.81SS**  trans60.5105.4160.7-73.520.6000120.6
112S36.3Very low38.9Very low118 Ų118124.9 Ų124.983%0.82582%0.817SS**  trans-77.1132.1158.2-41.70000111.5
113V37.6Very low38.3Very low147 Ų147123 Ų12389%0.89181%0.813SS**  166.6102.7126.3620000112
114A32.6Very low37.7Very low109 Ų109124.2 Ų124.290%0.90181%0.814SS**  trans-174.567.7160.900000110.4
115A37.3Very low36.3Very low99 Ų99128.3 Ų128.382%0.81882%0.821SS**  trans-107.3141.4172.600000110.7
116A40Very low35.9Very low107 Ų107129.7 Ų129.788%0.88482%0.822SS**  trans6081.2166.100000118.4
117A34.3Very low35.9Very low104 Ų104129.1 Ų129.186%0.8682%0.818SS**  trans-156.898.6150.200000112.3
118A36.1Very low35.6Very low106 Ų106127 Ų12788%0.87682%0.815SS**  trans158.9122.5153.500000109.7
119N37.3Very low35.6Very low172 Ų172133.4 Ų133.492%0.9282%0.823SS**  trans-146.3135172.2-164.6-4.8000108.9
120G28.1Very low35.2Very low56 Ų56129.5 Ų129.558%0.57782%0.821SS**  trans74.7167.5-167.800000114
121L36.3Very low35.2Very low176 Ų176126.8 Ų126.892%0.92182%0.821SS**  cis-146.3159.5-0-75.4174.9000110.9
122G30.2Very low35.8Very low72 Ų72125.8 Ų125.874%0.74282%0.823SS**  trans56.2107.7132.900000122.1
123A34Very low35.4Very low87 Ų87123.4 Ų123.472%0.71982%0.817SS**  76.6150.7126.700000122.9
124E33Very low35.1Very low175 Ų175121.5 Ų121.582%0.81882%0.817SS**  trans57126.1146.273.1-164.292.400124.4
125K31.4Very low35Very low185 Ų185121.4 Ų121.480%0.80482%0.816SS**  trans92.493.1133.6-160.6173.6-179-179.30120.8
126D33Very low35.4Very low145 Ų145122.6 Ų122.678%0.77582%0.818SS**  trans-54.9152.8137.8-112.4-85.5000110.2
127P46.2Very low35Very low118 Ų118122 Ų12277%0.76681%0.814SS**  cis-141.516531.540.6-21.8000118.6
128G30Very low35Very low74 Ų74122.2 Ų122.276%0.76382%0.815SS**  trans-138.6115.317000000113.5
129R36.7Very low35Very low242 Ų242122.2 Ų122.291%0.91382%0.815SS**  trans-93.4131.2-175.5-92.7177.8155.4-154.5-3.2114.2
130S35.6Very low34.8Very low115 Ų115118.2 Ų118.280%0.80481%0.806SS**  trans25.7134.9132.7-46.40000122.5
131A39.3Very low35Very low99 Ų99123.1 Ų123.182%0.81882%0.818SS**  trans-161.5167.4138.900000111.3
132P46.7Very low35Very low135 Ų135122.4 Ų122.488%0.87781%0.807SS**  trans-134.8176.1-131.143.7-28.9000118.5
133G28.5Very low35.3Very low69 Ų69126.2 Ų126.271%0.71181%0.806SS**  trans164.1121.2163.800000109.6
134A31.5Very low35.3Very low107 Ų107130.1 Ų130.188%0.88481%0.814SS**  cis68.5124.344.700000112.8
135A30.1Very low35.1Very low106 Ų106125.5 Ų125.588%0.87681%0.813SS**  cis-155.3174-6.500000110.9
136S45.9Very low34.9Very low125 Ų125124.4 Ų124.487%0.87482%0.816SS**  trans-97.2128.7-175.956.80000114.6
137A31.9Very low35.2Very low95 Ų95122 Ų12279%0.78581%0.81SS**  trans-148.9123.3165.100000107.6
138A32.4Very low35.2Very low108 Ų108122 Ų12289%0.89381%0.811SS**  90.2149.472.500000112.4
139A36.9Very low35.6Very low106 Ų106122.6 Ų122.688%0.87681%0.808SS**  trans-113.7145.4-152.200000116.8
140A32.5Very low35.8Very low88 Ų88119.6 Ų119.673%0.72780%0.804SS**  trans-158.2134.8154.800000107.3
141L32.4Very low35.9Very low158 Ų158120.1 Ų120.183%0.82780%0.798SS**  53131.781.1-98.178.3000113.5
142K37.3Very low35.9Very low161 Ų161123.8 Ų123.870%0.780%0.796SS**  cis-169151.216.3-159.7-175.8-177.5-168.40112.2
143Q35Very low35.6Very low152 Ų152122.9 Ų122.971%0.7179%0.792SS**  trans62.8159165.9-79.5161.9-75.300115.7
144L35.1Very low36.1Very low170 Ų170124.3 Ų124.389%0.8979%0.791SS**  cis-115.9176.915.4-65.2160000112.9
145G28.8Very low36.5Very low77 Ų77128.1 Ų128.179%0.79479%0.788SS**  trans-156.1147.1159.400000111.1
146D27.5Very low37.3Very low163 Ų163132.7 Ų132.787%0.87279%0.789SS**  trans-159.4169.9146.9-159.67.6000109.4
147S38.7Very low37.3Very low93 Ų93131 Ų13165%0.6578%0.775SS**  trans-143.5168.6-169.660.40000113.6
148P46.1Very low37.5Very low120 Ų120136.8 Ų136.878%0.77978%0.778SS**  -126.6148.4122.6318.9000111.4
149A39.2Very low37.9Very low86 Ų86137.7 Ų137.771%0.71178%0.778SS**  cis76.7127.243.200000112
150E39.5Very low37.9Very low178 Ų178142.9 Ų142.983%0.83278%0.78SS**  cis-146.1137.43.5-62.9-166.1116.700109.8
151D37.9Very low37.9Very low127 Ų127141.9 Ų141.968%0.67978%0.779SS**  87148.193.8-165.9-142.4000116.9
152K40.6Very low37.9Very low176 Ų176140.8 Ų140.877%0.76578%0.784SS**  trans72.6149.9170.3-46.6168.1-1641590117.1
153S38.9Very low37.6Very low115 Ų115136.7 Ų136.780%0.80479%0.788SS**  cis-173160.9-31.5-172.70000109.2
154S39.3Very low37.6Very low99 Ų99133.3 Ų133.369%0.69279%0.794SS**  trans68.5110155.6-173.30000120.7
155F39.5Very low37.6Very low187 Ų187128.9 Ų128.982%0.8279%0.789SS**  -146.4118.1114-138.6-97.8000111.8P157F155-P157 HydrophobicContact CD1-CG 4.47Å; F155-P157 HydrophobicContact CE1-CG 4.4Å
156K48.4Very low37.8Very low203 Ų203132.4 Ų132.488%0.88379%0.789SS**  trans-148.798.2174.9-87.2-172.3175.8178.30111.5
157P45.8Very low38.4Very low89 Ų89129.3 Ų129.358%0.57878%0.781SS**  trans-92.8132.7162.633.3-27.1000110.2F155F155-P157 HydrophobicContact CD1-CG 4.47Å; F155-P157 HydrophobicContact CE1-CG 4.4Å
158Y35.9Very low38.7Very low217 Ų217137 Ų13785%0.85180%0.795SS**  cis-138.3149.7-5.5-86-93.9000110.1
159S39.7Very low38.5Very low127 Ų127140.9 Ų140.989%0.88880%0.8SS**  trans-163.8104.5151.8-820000108.8
160K37.1Very low38.2Very low215 Ų215143.1 Ų143.194%0.93580%0.8SS**  trans-149.6127.9177-176.3168.6-177.5173.20111.7
161G33Very low38Very low67 Ų67140.6 Ų140.669%0.69180%0.802SS**  trans-173.8113.4169.300000110.5
162S32.2Very low37.9Very low135 Ų135138.3 Ų138.394%0.94481%0.809SS**  trans65144.8-171.7-148.50000114.9
163G32.3Very low37.9Very low75 Ų75135.3 Ų135.377%0.77381%0.81SS**  cis159.5148.3-4.700000109.3
164G33.6Very low38.2Very low81 Ų81135.3 Ų135.384%0.83581%0.81SS**  cis-176.4176-3.700000111
165G35Very low38.3Very low77 Ų77135.2 Ų135.279%0.79481%0.809SS**  trans89.1151.6-179.500000115
166D34.2Very low38.2Very low150 Ų150132.7 Ų132.780%0.80281%0.809SS**  cis-151.8152.7-4.9-139.3-69000114.5
167S39.8Very low37.7Very low98 Ų98127.7 Ų127.769%0.68580%0.799SS**  trans8.3123.7166.4-58.30000123.1
168R45.3Very low37.5Very low254 Ų254128.4 Ų128.496%0.95881%0.807SS**  179.790.8127-99.8174.5-163.7-148.24.6113.9
169K40.9Very low37.5Very low202 Ų202123.8 Ų123.888%0.87880%0.801SS**  trans-177.1162.5131-159.6151.6-174.2173.50110.5
170D33Very low37.4Very low133 Ų133122.9 Ų122.971%0.71180%0.795SS**  trans-81.1164-157.5-48.1-100.3000117.8
171S36.8Very low37.3Very low126 Ų126117.9 Ų117.988%0.88179%0.787SS**  trans81.3120.1160-47.70000118.8
172G34.8Very low37.5Very low79 Ų79119.7 Ų119.781%0.81479%0.789SS**  trans156.426.8166.200000122.2
173S39.7Very low37.7Very low113 Ų113118 Ų11879%0.7978%0.777SS**  trans32.6123.8160.9-55.80000123.4
174S45.5Very low37.9Very low115 Ų115119.7 Ų119.780%0.80478%0.777SS**  trans65.3147.6145540000121.6
175S43Very low37.9Very low97 Ų97121.3 Ų121.368%0.67878%0.776SS**  cis-171.8157.8-18.252.90000111.9
176V36Very low37.9Very low133 Ų133123 Ų12381%0.80678%0.776SS**  trans59150.2166-53.10000120
177S37.9Very low38.8Very low98 Ų98122 Ų12269%0.68578%0.777SS**  cis-169.4145.6-24.1-910000111.6
178S43Very low38.5Very low105 Ų105120.9 Ų120.973%0.73478%0.781SS**  trans58.8150.2141.3-60.60000122.1
179T34Very low38.3Very low120 Ų120115.1 Ų115.174%0.73677%0.769SS**  cis-167.4151.4-1.413.90000112.8
180S37.7Very low38.4Very low107 Ų107113.5 Ų113.575%0.74876%0.762SS**  trans59.9153.2147.5630000120.6
181S36.8Very low38.8Very low111 Ų111112.4 Ų112.478%0.77677%0.772SS**  cis177.4-179.9-8-91.80000107.4
182S37.3Very low38.7Very low105 Ų105110.3 Ų110.373%0.73477%0.77SS**  cis178.4154.5-28.157.30000107.2
183S35.3Very low39.1Very low99 Ų99116.3 Ų116.369%0.69277%0.774SS**  cis-177.4171.2-17.754.10000109.1
184S36.8Very low39.1Very low110 Ų110122.8 Ų122.877%0.76978%0.782SS**  trans64.1155.716233.90000118.9
185S33.6Very low39.1Very low116 Ų116123.3 Ų123.381%0.81178%0.78SS**  cis-162.7161.2-6.441.10000112.6
186S35.4Very low39.3Very low113 Ų113124.9 Ų124.979%0.7979%0.787SS**  trans-87.7-164.1175-39.30000112.4
187P53.2Low39.2Very low127 Ų127124.1 Ų124.183%0.82579%0.788SS**  cis-141.6174.4-6.842.2-23.5000118.2
188G33.6Very low39.1Very low76 Ų76124.3 Ų124.378%0.78480%0.796SS**  trans80.2166.2151.800000119.4
189D39.7Very low38.5Very low132 Ų132124.1 Ų124.171%0.70680%0.8SS**  cis-162.1150.1-23.9-152.4-12.2000111.6
190K43.8Very low38.4Very low168 Ų168124.2 Ų124.273%0.7380%0.804SS**  trans46.3117.7167.1-37.2-163.7-159.1-48.10124
191A41.4Very low38.8Very low111 Ų111125.1 Ų125.192%0.91781%0.807SS**  trans67.7136.6130.300000123.4
192G34.9Very low39.3Very low82 Ų82125.7 Ų125.785%0.84581%0.809SS**  trans146.3127.1159.100000115.7
193F43.2Very low39.4Very low205 Ų205130 Ų13090%0.89982%0.815SS**  trans-105.8128.4179.8-129-97.2000111
194R39.5Very low40Very low249 Ų249130.9 Ų130.994%0.9482%0.818SS**  trans174.5171.1134.2-96.9172.9-171-149.52.8114.4
195V45.6Very low40.6Very low126 Ų126130.2 Ų130.276%0.76481%0.811SS**  trans-128.6141.7-161.1164.60000108.4
196P46.9Very low40.4Very low130 Ų130133.6 Ų133.684%0.84481%0.813SS**  -153.4176.599.640.1-19.7000117.5
197S33.4Very low40.1Very low117 Ų117132 Ų13282%0.81882%0.815SS**  trans-84.6156-175.4-38.50000115.3
198A35.5Very low39.3Very low102 Ų102130.4 Ų130.484%0.84381%0.813SS**  164.1134.8118.700000113.8
199A30.3Very low39.9Very low100 Ų100132 Ų13283%0.82681%0.809SS**  trans-177.6147.2143.500000111.7
200C33.3Very low39.6Very low122 Ų122132.1 Ų132.182%0.82481%0.814SS**  trans-129.6158.8161.4-65.50000108.5
201P45.2Very low39.5Very low126 Ų126129.8 Ų129.882%0.81882%0.819SS**  trans-126.6169.3131.733.3-22.9000112.1
202P47.7Very low39Very low123 Ų123129.2 Ų129.280%0.79982%0.815SS**  trans-116.2165.1-142.242.3-36.2000117.8
203F38.2Very low39.2Very low196 Ų196131.2 Ų131.286%0.8682%0.816SS**  trans-59.5164.4154.1-67.2-73.2000111.2
204P48Very low38.5Very low118 Ų118127.4 Ų127.477%0.76681%0.814SS**  -151-150.253.440.6-13.5000114.8
205P49.3Very low38.1Very low96 Ų96121 Ų12162%0.62381%0.808SS**  -135-150.7-88.145.6-27.4000113.7
206H30.8Very low37.4Very low186 Ų186120.2 Ų120.286%0.86181%0.808SS**  trans87.9142174.1-54.2-74.7000116.6
207G28.3Very low36.6Very low80 Ų80118.8 Ų118.883%0.82580%0.801SS**  trans12976.817200000115.8
208A37.3Very low36.7Very low94 Ų94118.6 Ų118.678%0.77780%0.8SS**  trans-89.1164.4134.200000106.9
209P45.5Very low36.8Very low108 Ų108119.7 Ų119.770%0.70180%0.798SS**  cis-141.4-172.21432.6-7.7000115.2
210V33.7Very low36.7Very low135 Ų135118.7 Ų118.782%0.81880%0.798SS**  trans50.1157.3153.3-65.70000123.3
211S41Very low36.5Very low119 Ų119115.9 Ų115.983%0.83279%0.79SS**  trans-59.6148.8172.9-34.40000115.3
212A31Very low36.6Very low100 Ų100114.7 Ų114.783%0.82678%0.784SS**  trans-155.8153.1139.100000111
213S40Very low36.1Very low123 Ų123118.9 Ų118.986%0.8678%0.784SS**  trans-77.4160.3177.4-48.90000112.7
214S28.8Very low36.7Very low125 Ų125114 Ų11487%0.87479%0.789SS**  trans-121.4148.315655.90000110.1
215S30.6Very low36.7Very low114 Ų114111.4 Ų111.480%0.79778%0.783SS**  trans-139.2138-156.9570000114.3
216S30.5Very low36.1Very low110 Ų110111.1 Ų111.177%0.76978%0.784SS**  trans-164.9105.2156.238.20000109.5
217S29.4Very low36.5Very low101 Ų101107.7 Ų107.771%0.70678%0.778SS**  54.8100.387.769.10000112.7
218S37.2Very low36.7Very low113 Ų113112.2 Ų112.279%0.7978%0.777SS**  70157.754.8-48.60000113.3
219P37.7Very low36.6Very low125 Ų125115 Ų11581%0.81277%0.773SS**  cis-83.6-176.10.337.6-38.4000113.6
220G27.9Very low36.5Very low79 Ų79113.7 Ų113.781%0.81477%0.767SS**  cis123.8135.5-7.900000115.3
221G28.9Very low36.2Very low63 Ų63115 Ų11565%0.64977%0.77SS**  trans-176145175.600000112
222S46.3Very low35.8Very low100 Ų100115.2 Ų115.270%0.69977%0.77SS**  trans-166165.4-175.9-86.20000113.1
223R37.6Very low35.7Very low212 Ų212120 Ų12080%0.877%0.772SS**SBendtrans77.7146.3-163-54.2-178.1-180-144.9-2.4112.7G225R223-G225 CarbonylContact O-C 3.57Å; R223-G225 PolarHBondContact O-N 3.07Å
224G51.2Low35.1Very low94 Ų94122.1 Ų122.197%0.96977%0.774SS**SBendtrans-70.795.517700000109.1
225G47.1Very low35.2Very low62 Ų62119.6 Ų119.664%0.63977%0.768SS**SBendtrans85.5108.1-15500000110.7R223R223-G225 CarbonylContact O-C 3.57Å; R223-G225 PolarHBondContact O-N 3.07Å
226S36.4Very low35.3Very low91 Ų91118 Ų11864%0.63677%0.768SS**  trans-54.5154.1159-73.60000110.5
227P39.2Very low35.4Very low113 Ų113116.2 Ų116.273%0.73477%0.768SS**  cis-136.7-178.13538.7-19.1000118.1
228H32.5Very low35.8Very low176 Ų176118.9 Ų118.982%0.81578%0.779SS**  trans-40.9154.2-176.5-155.2-107000118.2
229H35.4Very low35.8Very low151 Ų151116.6 Ų116.670%0.69977%0.774SS**  trans-134.1130.7167.3172.7-75.8000109.8
230S44.7Very low35.7Very low82 Ų82114.8 Ų114.857%0.57378%0.778SS**  trans163.4121.9137.5-71.30000110
231D27.6Very low36.1Very low163 Ų163114.1 Ų114.187%0.87277%0.771SS**  171.584.8128.5-110.1-56.7000113.1
232C31.6Very low36.2Very low123 Ų123119.5 Ų119.583%0.83178%0.78SS**  trans-173.4136.6149.844.30000108.5
233K28.6Very low36.1Very low199 Ų199120.6 Ų120.687%0.86578%0.777SS**  cis102.6120.723.7-175.1174.2179.6174.90112.5
234N28Very low36.1Very low169 Ų169115.9 Ų115.990%0.90477%0.767SS**  trans76.4148.5174.8-163.628.1000116.7
235G31.2Very low35.6Very low72 Ų72118.7 Ų118.774%0.74275%0.753SS**  trans152.828.1171.200000121.8
236G31.8Very low34.9Very low79 Ų79123 Ų12381%0.81475%0.754SS**  trans80.3157.8176.800000114.7
237G32.6Very low34.8Very low74 Ų74123.4 Ų123.476%0.76375%0.749SS**  cis95.5130.616.100000110.3
238V37.9Very low34.6Very low156 Ų156125.4 Ų125.495%0.94575%0.749SS**  cis-148.7156.19.9172.40000106.7
239G37.4Very low34.7Very low66 Ų66125.4 Ų125.468%0.6875%0.749SS**  cis-169.1159.6-100000107.2
240G36.5Very low35.2Very low87 Ų87123 Ų12390%0.89775%0.746SS**  91126.477.900000110.4
241G34.9Very low34.6Very low65 Ų65128.4 Ų128.467%0.6776%0.76SS**  cis-145.4172.81.500000111.8
242E32.8Very low35.4Very low176 Ų176126.5 Ų126.582%0.82276%0.756SS**  76.2137.479.9-69-141.3-31.600114.1
243L43.5Very low35.3Very low122 Ų122125.6 Ų125.664%0.63975%0.751SS**  cis-154.9143.4-9.3-96.7172.2000106.4
244D36.9Very low36.4Very low113 Ų113122 Ų12260%0.60475%0.748SS**  6211079.5-170.4-108.9000118
245K40.6Very low36.6Very low153 Ų153122 Ų12267%0.66574%0.743SS**  179.3132.8129.5-117.779.988.9-169.50109.1
246K33.1Very low37.5Very low154 Ų154123.8 Ų123.867%0.6774%0.741SS**  63147.588.7-73179.5146-72.10115.8
247D33.6Very low37.6Very low98 Ų98124 Ų12452%0.52474%0.735SS.*  cis-161.8165.58.5-120.8-39.4000113.2
248Q36Very low37.6Very low155 Ų155124.4 Ų124.472%0.72473%0.731SS**  trans48129149.6-73.8152.964.400122.1
249E33.4Very low37.3Very low177 Ų177125.1 Ų125.183%0.82773%0.729SS**  84.4155.164.3-96-122127.100115.3
250P46.7Very low37.3Very low99 Ų99126.7 Ų126.764%0.64373%0.73SS**  cis-141.8-158.3-45.843.6-25.2000116.3
251K32.6Very low37.2Very low197 Ų197134.2 Ų134.286%0.85773%0.731SS**  trans-39.2172.4166.4-97.2-178.4177.5176.10117.6
252P44.4Very low37Very low122 Ų122134.7 Ų134.779%0.79274%0.736SS**  cis-144.4-165.429.942.5-20.8000118.1
253S29Very low37.1Very low104 Ų104132.7 Ų132.773%0.72774%0.741SS**  trans-117.8163.3168.5176.80000109.6
254P52.4Low36.5Very low123 Ų123131 Ų13180%0.79975%0.753SS**  -153175.1108.940.1-22.2000118
255E31.4Very low36.1Very low170 Ų170129.6 Ų129.679%0.79477%0.766SS**  trans-81.4-161.4166.5-126.5-16299.300111.4
256P50.8Low35.6Very low109 Ų109130.6 Ų130.671%0.70877%0.773SS**  cis-146.3-168.615.843.3-21.2000118.8
257A32.9Very low36.3Very low84 Ų84129.1 Ų129.169%0.69478%0.779SS**  trans87.4151.8138.800000122.6
258A33.1Very low36.3Very low82 Ų82127.2 Ų127.268%0.67878%0.783SS**  cis-174.4176-22.500000113.2
259L31.9Very low36.2Very low171 Ų171123.6 Ų123.690%0.89578%0.779SS**  trans78.2157.5159.3-50.2-178.1000119.9
260S36.1Very low36.3Very low100 Ų100124.5 Ų124.570%0.69978%0.783SS**  cis-173.2138.7-37.2-161.60000113.7
261R35.1Very low35.4Very low245 Ų245123.5 Ų123.593%0.92579%0.791SS**  trans55.7128.8139.5179.1179.7171.9178.8-3.6123.1
262G29.8Very low35.3Very low74 Ų74118 Ų11876%0.76379%0.791SS**  trans173.8157.5161.200000116
263S36.3Very low34.9Very low134 Ų134116.3 Ų116.394%0.93779%0.786SS**  trans-140.4147-171.6-53.20000116.2
264G29.9Very low35Very low86 Ų86120 Ų12089%0.88779%0.792SS**  trans101148.8138.600000120.7
265G28.8Very low34.3Very low85 Ų85120.2 Ų120.288%0.87680%0.797SS**  trans124.6130.9156.600000118.6
266E29.6Very low34.2Very low173 Ų173115.8 Ų115.881%0.80880%0.796SS**  trans-101.1-173.9159.4-132.3-136.2123.200108.4G268E266-G268 PolarHBondContact OE1-N 3.25Å
267P49.3Very low33.5Very low123 Ų123115.3 Ų115.380%0.79980%0.801SS**  cis-150.3167.531.243.2-21.1000122.1
268G32.4Very low33.7Very low59 Ų59117.2 Ų117.261%0.60881%0.81SS**  trans105161.5135.700000120E266E266-G268 PolarHBondContact OE1-N 3.25Å
269A34.3Very low33.5Very low78 Ų78117 Ų11765%0.64582%0.815SS**  cis-168.2172.6-4.800000114.1
270H36.4Very low33.8Very low196 Ų196120 Ų12091%0.90782%0.815SS**  trans73.5145.3166.1-43.7-76.9000119.9
271G27.7Very low33.6Very low79 Ų79124.6 Ų124.681%0.81482%0.822SS**  cis157.9102.5-1800000118.1
272G29.4Very low33.5Very low82 Ų82118.4 Ų118.485%0.84582%0.816SS**  trans69.9173.415900000119.4
273A35.4Very low33.5Very low85 Ų85123.6 Ų123.670%0.70282%0.821SS**  cis-165154.2-27.400000112.2
274E32.1Very low34.2Very low182 Ų182123 Ų12385%0.8581%0.814SS**  trans42.3130.6154.972.9-165.596.900127.1
275S37.8Very low35.4Very low128 Ų128123.9 Ų123.990%0.89580%0.804SS**  trans53.1128.3131.5-1510000124
276G28.9Very low35.7Very low76 Ų76125.7 Ų125.778%0.78480%0.803SS**  trans-177.9154.5166.800000112.3
277A36.2Very low35.9Very low99 Ų99121.9 Ų121.982%0.81880%0.801SS**  trans-142.8163.2-163.800000117.9
278S36.6Very low35.1Very low125 Ų125123.4 Ų123.487%0.87480%0.802SS**  trans88.8145.1156.2830000120.9
279G30.1Very low35.2Very low76 Ų76127.3 Ų127.378%0.78481%0.813SS**  trans-176130.117100000109.9
280R38.6Very low35Very low236 Ų236127 Ų12789%0.89182%0.817SS**  trans-114.3151.3-159.3-56.8172.793-166.37.5115.1
281K31.4Very low35.1Very low195 Ų195122.9 Ų122.985%0.84882%0.818SS**  trans152.2146150.962.2-162.9170.1-65.40111.4
282S33.3Very low35.3Very low115 Ų115122.9 Ų122.980%0.80482%0.817SS**  cis-162.2161.1-17.1-90.70000110.7
283E29.9Very low35.9Very low184 Ų184128.1 Ų128.186%0.8682%0.82SS**  trans-88.7179167.6-68.2146.289.900110.4
284P49.8Very low35.8Very low121 Ų121131 Ų13179%0.78683%0.829SS**  cis-136.5-144.319.434.5-7.4000113.7
285P56.2Low36.2Very low104 Ų104126.3 Ų126.368%0.67582%0.821SS**  -128165.6-75.137.7-23000116.4
286S34.4Very low37Very low123 Ų123125.5 Ų125.586%0.8681%0.812SS**  trans45.8155.5138.4-56.80000121.8
287A33.8Very low37Very low94 Ų94128.2 Ų128.278%0.77781%0.813SS**  cis-167.3-177.616.200000108.4
288L33.1Very low37.2Very low155 Ų155128.6 Ų128.681%0.81281%0.81SS**  cis-179.9158.7-29.1-17666.6000107.1
289V33.6Very low38.3Very low140 Ų140127.6 Ų127.685%0.84880%0.8SS**  trans72147.4176.1-166.40000113.8
290G30.1Very low38.3Very low71 Ų71134.7 Ų134.773%0.73281%0.805SS**  cis-176-174.9-4.800000111.8
291A39.2Very low38.4Very low111 Ų111132.6 Ų132.692%0.91780%0.802SS**  trans-96.2157.2-170.500000115
292G31.8Very low39Very low78 Ų78129.9 Ų129.980%0.80481%0.805SS**  trans-169.2125.5169.800000113.3
293H42.5Very low39.2Very low192 Ų192127.5 Ų127.589%0.88980%0.798SS**  trans-97.7152.8167.9-76.7-106.1000110.2
294V33Very low39.8Very low147 Ų147127.9 Ų127.989%0.89180%0.8SS**  trans172.7153.4140.9148.70000110.2
295A40.9Very low39.1Very low83 Ų83126.7 Ų126.769%0.68679%0.794SS**  trans-116.1-151.8175.100000108.5
296P54.1Low38.1Very low110 Ų110128.6 Ų128.671%0.71480%0.804SS**  cis-139.1-159.5-1330-3.9000114
297V29.5Very low38.4Very low134 Ų134131.4 Ų131.481%0.81280%0.801SS**  trans75148.1157.4-129.20000121.3
298S38.8Very low39.1Very low106 Ų106132.3 Ų132.374%0.74180%0.799SS**  trans-116.6-157.3165.7-39.40000108.4
299P60.3Low39.4Very low104 Ų104132 Ų13268%0.67580%0.797SS**  cis-126.8-175.6-30.539.6-24.1000112.2
300Y30.7Very low40.3Very low226 Ų226130.9 Ų130.989%0.88679%0.793SS**  172.4173.9128.2-106.2-79.7000114.1
301K41.2Very low41.4Very low191 Ų191132.7 Ų132.783%0.8379%0.792SS**  trans-104.8161.5-174.3-81177.1171.2175.20113.6
302P42.4Very low41.2Very low138 Ų138133.5 Ų133.590%0.89679%0.79SS**  -135.4-169.8110.222.5-1.8000113.6
303G38.3Very low41.4Very low65 Ų65135.3 Ų135.367%0.6779%0.79SS**  trans-171.1-157.8-178.200000115.5
304H41.6Very low41.1Very low193 Ų193134.6 Ų134.689%0.89479%0.791SS**  trans72.1153.3-176.8-76.8-107.1000116.8
305S36.5Very low41.1Very low96 Ų96130.4 Ų130.467%0.67178%0.778SS**  cis-175.1146.2-23.652.50000112.6
306V33.8Very low40.5Very low143 Ų143137.4 Ų137.487%0.86779%0.789SS**  trans-142.9146.7153.9-179.30000109.4
307F40.5Very low39.6Very low183 Ų183141 Ų14180%0.80380%0.795SS**  trans-127.5175.4178.7-120.3-122000108
308P49.4Very low39.7Very low113 Ų113138.4 Ų138.473%0.73480%0.796SS**  cis-146.5-179.130.543.1-21.8000118.9
309L39.7Very low39.9Very low149 Ų149138.6 Ų138.678%0.7880%0.797SS**  trans-121.3-176.2156.1-59.8172.8000106.8
310P51.2Low39Very low116 Ų116141.3 Ų141.375%0.75380%0.804SS**  cis-133.4-127.2-1.142.3-20.6000109.5
311P55Low39.2Very low109 Ų109137.1 Ų137.171%0.70880%0.802SS**  cis-121.1179.4-4938.6-24.9000112.6
312S33.2Very low38.9Very low127 Ų127131.8 Ų131.889%0.88880%0.801SS**  trans-168.1146.7136-87.30000112.9
313S37.9Very low38.5Very low116 Ų116129.6 Ų129.681%0.81179%0.794SS**  trans-133.5145.3167.257.30000109
314I34.4Very low38.2Very low177 Ų177137.8 Ų137.891%0.90881%0.807SS**  trans173.9175.6141.3-154.8106.4000107.8
315G34.3Very low38.1Very low60 Ų60133 Ų13362%0.61980%0.801SS**  trans-112.4-145.5-176.400000114.8
316Y28Very low37.9Very low229 Ų229132.2 Ų132.290%0.89881%0.807SS**  trans85112.7-176.9-94.1-101.5000118.7
317H34.7Very low37.7Very low186 Ų186134 Ų13486%0.86180%0.8SS**  32.5116.1122.1-135.8-82.6000118.8
318G31.1Very low38Very low79 Ų79131.2 Ų131.281%0.81480%0.8SS**  trans-172.6125168.100000114
319S43.1Very low37.3Very low111 Ų111129 Ų12978%0.77679%0.787SS**  trans-118.4127171.2178.40000109.7
320I41.6Very low37.2Very low160 Ų160129.5 Ų129.582%0.82179%0.786SS**  trans-144.7121.5165.345.7175.8000105.8
321V36.1Very low36.5Very low139 Ų139132.5 Ų132.584%0.84279%0.787SS**  72113.653.2-177.90000112.2
322G34.9Very low35.8Very low79 Ų79133.4 Ų133.481%0.81479%0.79SS**  trans178.993.2174.900000110.1
323A34.2Very low35.9Very low91 Ų91132.3 Ų132.375%0.75278%0.78SS**  trans-135.4133.8-170.600000112.8
324Y31.9Very low35.9Very low238 Ų238130.1 Ų130.193%0.93378%0.776SS**  trans-157.8143.8163.8-97.7-84.1000106
325A38.4Very low35.8Very low92 Ų92130.5 Ų130.576%0.7678%0.779SS**  cis-153169.74.900000111.5
326G32.6Very low35.9Very low79 Ų79134.5 Ų134.581%0.81479%0.786SS**  trans91.199.3150.800000118.4
327Y29.7Very low36.9Very low181 Ų181128.1 Ų128.171%0.7177%0.773SS**  trans-92.7171.3160.6-130.2-129.9000108.9S329Y327-S329 WeakPolarHBondContact OH-CB 3.3Å
328P47.2Very low36.7Very low125 Ų125124.2 Ų124.281%0.81277%0.767SS**  cis-122.5144.429.738.1-23.3000117.6
329S33.9Very low36.7Very low65 Ų65129.5 Ų129.546%0.45577%0.767SS.*  trans-87.3163.2158.5-169.10000111.1Y327Y327-S329 WeakPolarHBondContact OH-CB 3.3Å
330Q37.8Very low36.2Very low160 Ų160130.2 Ų130.275%0.74877%0.772SS**  trans-124.3145.4157.5-78.6-69.53.800109.6
331F35.8Very low35.6Very low180 Ų180126.4 Ų126.479%0.78977%0.773SS**SBendtrans73.390.7-179.6-62-79.4000118.4
332V41.7Very low35.5Very low127 Ų127128.1 Ų128.177%0.7778%0.776SS**  trans65.691139.2-160.80000119.5
333P34.9Very low35.5Very low104 Ų104131.8 Ų131.868%0.67578%0.782SS**  trans-82.5147.4144.8-5.525000111.3
334G37.2Very low35.3Very low71 Ų71130.8 Ų130.873%0.73278%0.781SS**  trans-102.5173.916700000112.5
335L33.3Very low35.2Very low184 Ų184123 Ų12396%0.96377%0.773SS**  trans-141.5146.8171.2-85.9175.6000111.9
336D35.5Very low34.9Very low145 Ų145126.6 Ų126.678%0.77577%0.774SS**  trans-111.8-148.9173.4-172.429.4000109.3
337P49.6Very low35.3Very low95 Ų95130 Ų13062%0.61777%0.773SS**  -99.2158.3-115.835.2-22.6000114.9
338S29.3Very low35.8Very low104 Ų104126.8 Ų126.873%0.72778%0.777SS**  169.8134.7127.2-84.80000117
339K32.8Very low35.3Very low189 Ų189124.7 Ų124.782%0.82278%0.778SS**  trans75121.4146.7-66.7170-177.4176.80121.9
340S31.2Very low35.3Very low127 Ų127124.7 Ų124.789%0.88879%0.789SS**  trans65134.3142.1-60.40000121.2
341G29.6Very low35.2Very low80 Ų80126 Ų12683%0.82580%0.8SS**  trans158.361.116000000119.1
342L33.5Very low35Very low175 Ų175121 Ų12192%0.91680%0.799SS**  trans-7.2116.6161.5-75.6155.3000119.4
343V34.8Very low34.8Very low155 Ų155123 Ų12394%0.93981%0.805SS**  trans-175.9134.5134.8139.50000108.3
344G30.3Very low35.4Very low71 Ų71123.8 Ų123.873%0.73281%0.809SS**  cis177.5149.5-1000000112.8
345G30.4Very low36Very low75 Ų75126.4 Ų126.477%0.77381%0.813SS**  trans86.3155.3174.900000115.8
346Q32.6Very low36Very low166 Ų166121 Ų12178%0.77680%0.802SS**  cis-158.5138.4-6.9-106.4-66.727.200109.7
347L39.3Very low36Very low152 Ų152124 Ų12480%0.79681%0.808SS**  trans60.7154.9164.3-51.7176.1000118.8
348S40.6Very low36.2Very low113 Ų113125.4 Ų125.479%0.7982%0.817SS**  cis-164.8130.9-33-173.40000111.4
349G36.5Very low36.6Very low80 Ų80126.4 Ų126.483%0.82582%0.821SS**  trans80.9129.7153.100000119.3
350G34.7Very low36.9Very low66 Ų66122.8 Ų122.868%0.6882%0.82SS**  cis167163.7-1100000115
351L36.3Very low37.2Very low187 Ų187122 Ų12298%0.97982%0.815SS**  trans68.1134.7166.5-42.7179.5000116.8
352G31.2Very low37.7Very low75 Ų75123.5 Ų123.577%0.77381%0.812SS**  cis-174.8154.3-600000112.9
353L37.3Very low38.2Very low170 Ų170121.1 Ų121.189%0.8981%0.807SS**  trans-78.7167.5172.8-74.8170.8000110.8
354P47.1Very low38.9Very low120 Ų120122 Ų12278%0.77981%0.806SS**  cis-144.3179.832.642-21.3000117.7
355P49.5Very low39.4Very low125 Ų125124.8 Ų124.881%0.81281%0.808SS**  trans-96.4146.517836-33.8000114.8
356G33.5Very low39.8Very low70 Ų70125.1 Ų125.172%0.72281%0.812SS**  trans162124.3158.800000119.1
357K35Very low40Very low209 Ų209121.4 Ų121.491%0.90981%0.81SS**  trans76.5147.5158.1-57.6166.9-175.8171.80117.7
358P55.3Low39.8Very low124 Ų124119.2 Ų119.281%0.80581%0.807SS**  trans-104163.5-172.140.1-35.5000114.5
359P37.8Very low39.7Very low125 Ų125119 Ų11981%0.81280%0.803SS**  trans-121.7152.6140.936.2-28.2000112.6
360S39.4Very low40.1Very low113 Ų113120.4 Ų120.479%0.7980%0.798SS**  trans-69.5139.5178.2178.30000113
361S36.7Very low40.6Very low112 Ų112121.1 Ų121.178%0.78379%0.792SS**  -169.7122.2129.222.90000111.7
362S40.4Very low41.1Very low111 Ų111121.8 Ų121.878%0.77679%0.788SS**  trans-69.7156.6159.9-51.90000109.6
363P42.7Very low42Very low124 Ų124126 Ų12681%0.80579%0.792SS**  -130148.911036.2-30.9000114.4T365P363-T365 PolarHBondContact O-N 3.22Å
364L49.5Very low42.8Very low174 Ų174126.6 Ų126.691%0.91179%0.79SS**  trans-51.7111177.6-65.8154.5000113.1
365T42Very low43.2Very low129 Ų129124.5 Ų124.579%0.79179%0.79SS**  trans-150.2127.1148.6-81.50000108.4P363 A367P363-T365 PolarHBondContact O-N 3.22Å; T365-A367 PolarHBondContact O-N 3.24Å
366G39Very low43.4Very low82 Ų82125.5 Ų125.585%0.84579%0.788SS**  trans-76.164-177.100000113S368G366-S368 PolarHBondContact O-N 3.26Å; G366-S368 VanDerWaalsContact O-N 3.13Å
367A37.4Very low44.4Very low88 Ų88126.6 Ų126.673%0.72778%0.784SS**  trans-72.798.6168.700000109.5T365T365-A367 PolarHBondContact O-N 3.24Å
368S34.8Very low45.2Very low106 Ų106128.7 Ų128.774%0.74179%0.786SS**  trans-55151.7168.2-67.50000111.4G366G366-S368 PolarHBondContact O-N 3.26Å; G366-S368 VanDerWaalsContact O-N 3.13Å
369P36.9Very low44.9Very low108 Ų108126 Ų12670%0.70177%0.765SS**  trans-59.7153-176.925.1-35.6000112.7S371P369-S371 PolarHBondContact O-N 3.46Å
370P45.6Very low45.7Very low110 Ų110125.8 Ų125.871%0.71476%0.763SS**  trans-61113.7-17624.7-34.1000111.1F372P370-F372 PolarHBondContact O-N 3.03Å
371S45.5Very low46.2Very low82 Ų82129.7 Ų129.757%0.57376%0.762SS**  trans-74.2111.7176.7-67.40000109.9P369 L373P369-S371 PolarHBondContact O-N 3.46Å; S371-L373 PolarHBondContact O-N 3.16Å
372F46.1Very low47Very low201 Ų201127.1 Ų127.188%0.88274%0.743SS**THydrogen-bonded Turntrans-6727.3179.6-92.1-93.7000114.8P370P370-F372 PolarHBondContact O-N 3.03Å
373L50.3Low47.9Very low163 Ų163130.1 Ų130.185%0.85375%0.75SS**THydrogen-bonded Turntrans-129.513.3-173.1-64.1176.4000113.7S371S371-L373 PolarHBondContact O-N 3.16Å
374Q54Low48.5Very low182 Ų182128 Ų12885%0.8575%0.75SS**  trans-94.9113173.1-80171.5-68.600110.8
375G55.7Low48.7Very low77 Ų77121.6 Ų121.679%0.79473%0.726SS**SBendtrans171.2-17.9-17900000115.1
376L54.1Low48.7Very low145 Ų145126 Ų12676%0.75973%0.73SS**SBendtrans-112.7132.9175.6-61.5175.8000110.2
377C53.3Low48.9Very low94 Ų94130.9 Ų130.964%0.63573%0.73SS**  trans-65.3137.8175.6-168.50000110.1D379 C382C377-D379 VanDerWaalsContact C-N 3.33Å; C377-D379 PolarHBondContact O-N 3.02Å; C377-C382 HydrophobicContact CB-CB 4.08Å
378R51.8Low49Very low253 Ų253130.2 Ų130.296%0.95573%0.732SS**  trans-98.430.7-178.3-147.2-177.8-174.7152.26.4113.8
379D48.9Very low49.1Very low67 Ų67130 Ų13036%0.35874%0.737SS.*  trans-106.4123.3172165.128000109.5C377 Y381 C382C377-D379 VanDerWaalsContact C-N 3.33Å; C377-D379 PolarHBondContact O-N 3.02Å; D379-Y381 PolarHBondContact O-N 2.9Å; D379-Y381 WeakPolarHBondContact OD1-CD2 3.36Å; D379-Y381 PolarHBondContact OD1-N 3.24Å; D379-C382 HydrophobicContact CB-CB 4.25Å; D379-C382 PolarHBondContact O-N 3.39Å; D379-C382 PolarHBondContact OD2-N 3.26Å; D379-C382 PolarHBondContact OD2-SG 2.82Å
380P55.8Low49.1Very low121 Ų121130 Ų13079%0.78674%0.739SS**THydrogen-bonded Turntrans-65-13178.828.3-36.1000114.5
381Y50.8Low48.7Very low195 Ų195132.5 Ų132.577%0.76574%0.741SS**THydrogen-bonded Turntrans-96.2-4.1177.7-58.1-73.5000113.9D379 L383D379-Y381 PolarHBondContact O-N 2.9Å; D379-Y381 WeakPolarHBondContact OD1-CD2 3.36Å; D379-Y381 PolarHBondContact OD1-N 3.24Å; Y381-L383 PolarHBondContact O-N 3.45Å
382C52.7Low48.5Very low57 Ų57136 Ų13639%0.38575%0.753SS.*  trans-75.481.6178.1-88.30000112.7C377 D379 G384C377-C382 HydrophobicContact CB-CB 4.08Å; D379-C382 HydrophobicContact CB-CB 4.25Å; D379-C382 PolarHBondContact O-N 3.39Å; D379-C382 PolarHBondContact OD2-N 3.26Å; D379-C382 PolarHBondContact OD2-SG 2.82Å; C382-G384 PolarHBondContact O-N 2.97Å
383L58.6Low48Very low175 Ų175130.5 Ų130.592%0.91675%0.752SS**THydrogen-bonded Turntrans-58.8-3.5-178.6-74167.9000116.6Y381 G385Y381-L383 PolarHBondContact O-N 3.45Å; L383-G385 VanDerWaalsContact C-N 3.34Å; L383-G385 PolarHBondContact O-N 2.84Å
384G56.8Low47.9Very low79 Ų79126.8 Ų126.881%0.81475%0.754SS**THydrogen-bonded Turntrans-80.3-2.5178.500000116C382C382-G384 PolarHBondContact O-N 2.97Å
385G52.3Low47.4Very low39 Ų39123.9 Ų123.940%0.40275%0.753SS.*  trans-94-0.5-161.100000119.3L383L383-G385 VanDerWaalsContact C-N 3.34Å; L383-G385 PolarHBondContact O-N 2.84Å
386Y42.6Very low46.8Very low221 Ų221124.6 Ų124.687%0.86775%0.746SS**  trans-129.358.7-162.8-83.9-78.8000116.7
387H42.2Very low46.3Very low186 Ų186122.2 Ų122.286%0.86174%0.741SS**  trans-136.9132.1157.8-4898.4000108.8
388G39.8Very low46.1Very low74 Ų74122 Ų12276%0.76374%0.74SS**  trans-103.4143.3-171.900000114.3
389A36.7Very low46.1Very low101 Ų101116.3 Ų116.384%0.83573%0.734SS**  trans65.5139.4177.800000115.3
390S37.8Very low45.9Very low108 Ų108117.9 Ų117.976%0.75575%0.748SS**  cis-162.1170.70.4-115.40000111.5
391H37.1Very low45.6Very low163 Ų163116.8 Ų116.876%0.75574%0.744SS**  trans74.2127.1159.3-101.4-127.9000120.8
392L40.7Very low45.2Very low156 Ų156111.8 Ų111.882%0.81774%0.743SS**  trans63.2129.3147.9-59.5170.3000120
393G36.5Very low44.7Very low84 Ų84118 Ų11887%0.86677%0.766SS**  trans87.2118.4165.300000113.9
394G47.4Very low43.5Very low86 Ų86116.2 Ų116.289%0.88776%0.757SS**  trans-83.6143.8169.900000111.4
395S44.3Very low43Very low121 Ų121118.8 Ų118.885%0.84676%0.759SS**  trans-149.4158.2159.3-164.20000110.4
396S43.2Very low42.1Very low92 Ų92120.9 Ų120.964%0.64377%0.773SS**  trans-73.1146.2-176.746.90000112.7S398S396-S398 VanDerWaalsContact C-N 3.27Å; S396-S398 PolarHBondContact O-N 3.26Å
397C42.4Very low41.6Very low95 Ų95114 Ų11464%0.64277%0.77SS**  trans-77.671.8172.249.40000111.5T399 C400C397-T399 PolarHBondContact O-N 3.15Å; C397-C400 PolarHBondContact O-N 3.34Å; C397-C400 PolarHBondContact O-SG 3.47Å; C397-C400 VanDerWaalsContact O-SG 3.32Å
398S50.8Low42Very low89 Ų89111.6 Ų111.662%0.62277%0.771SS**THydrogen-bonded Turntrans-63.95-179-50.90000115.7S396S396-S398 VanDerWaalsContact C-N 3.27Å; S396-S398 PolarHBondContact O-N 3.26Å
399T50.5Low41.6Very low134 Ų134114.1 Ų114.182%0.82278%0.777SS**THydrogen-bonded Turntrans-90.8-4.4178.841.10000114.4C397C397-T399 PolarHBondContact O-N 3.15Å
400C45.8Very low41.6Very low99 Ų99116.9 Ų116.967%0.66978%0.776SS**  trans-84.6-1.6176.4630000114.7C397 A402C397-C400 PolarHBondContact O-N 3.34Å; C397-C400 PolarHBondContact O-SG 3.47Å; C397-C400 VanDerWaalsContact O-SG 3.32Å; C400-A402 PolarHBondContact O-N 3.36Å
401S49.6Very low41.5Very low99 Ų99121.2 Ų121.269%0.69278%0.781SS**  trans-74.222.4-173.9-55.40000115.9H403S401-H403 PolarHBondContact O-N 3.04Å; S401-H403 VanDerWaalsContact O-N 3.07Å
402A41.8Very low41.4Very low90 Ų90118.6 Ų118.674%0.74479%0.788SS**  trans-81.627.3-174.700000114.6C400C400-A402 PolarHBondContact O-N 3.36Å
403H42.1Very low41.1Very low188 Ų188115 Ų11587%0.8779%0.788SS**SBendtrans-14250.1-173.4-97.2-64.9000114S401S401-H403 PolarHBondContact O-N 3.04Å; S401-H403 VanDerWaalsContact O-N 3.07Å
404D32.8Very low40.8Very low137 Ų137114.3 Ų114.373%0.73378%0.782SS**  trans-155.1126155.6-159.613.2000111.6A406D404-A406 PolarHBondContact O-N 3.19Å
405P46.6Very low40.1Very low132 Ų132121.3 Ų121.386%0.85778%0.783SS**  trans-9567.3-176.736.7-35.2000113.5
406A34.4Very low40.3Very low84 Ų84121 Ų12169%0.69478%0.778SS**  trans-149.5127.4174.700000115.6D404D404-A406 PolarHBondContact O-N 3.19Å
407G31.5Very low40.2Very low77 Ų77125.1 Ų125.179%0.79479%0.792SS**  trans96.6122.4155.400000117.9
408P50.3Low40.1Very low135 Ų135126.2 Ų126.288%0.87780%0.795SS**  trans-91.4134.916934.1-30.2000111.7
409S31.1Very low39.4Very low127 Ų127132.4 Ų132.489%0.88881%0.807SS**  trans-144.3138.9168.5-162.20000114.7
410L38.1Very low39Very low159 Ų159131.1 Ų131.183%0.83280%0.801SS**  trans-87136.6-156-62.6162000114.7
411K34.1Very low38.3Very low198 Ų198129.7 Ų129.786%0.86180%0.803SS**  61107.1123.3-170.4-169.9-179.9-1770120.4
412A35.6Very low37.5Very low108 Ų108133.8 Ų133.889%0.89381%0.811SS**  trans-157.1143.2136.300000109.5
413G33.7Very low37.4Very low80 Ų80135.2 Ų135.283%0.82581%0.812SS**  cis142.897-10.800000112.9
414G30.6Very low37.1Very low71 Ų71134.2 Ų134.273%0.73281%0.812SS**  trans179.464.2-17700000119.6
415Y32.8Very low37.2Very low233 Ų233136.4 Ų136.491%0.91482%0.818SS**  trans58.6146.3158-73.7-87.1000121.9
416P49.6Very low36.7Very low113 Ų113136.1 Ų136.173%0.73482%0.816SS**  trans-100.3159.4174.638.9-33.2000113.5
417L39.1Very low36.9Very low179 Ų179136.8 Ų136.894%0.93782%0.821SS**  trans-125.3147.5154.3-116.1179.1000109.7
418V42.2Very low37.2Very low118 Ų118137.5 Ų137.572%0.71582%0.82SS**  trans-105.1127.3-168.3176.40000110.5
419Y34.5Very low36.5Very low219 Ų219139.8 Ų139.886%0.85982%0.824SS**  trans-157.4143.4139.5-131.4-94000111.3
420P42.6Very low36.4Very low108 Ų108139.2 Ų139.270%0.70182%0.82SS**  trans-71.8153.4176.5-17.533000112.7
421G30.6Very low36.1Very low68 Ų68136.7 Ų136.770%0.70182%0.816SS**  trans-115.8172-173.500000115.7
422H34Very low36.3Very low186 Ų186133.2 Ų133.286%0.86182%0.816SS**  trans-130.2141.2168.5-68.5-73.5000110
423P39.8Very low36.5Very low119 Ų119132.8 Ų132.877%0.77381%0.813SS**  trans-87119.7-175.432.7-32.8000112.3
424L34.3Very low36.6Very low167 Ų167133.7 Ų133.787%0.87481%0.812SS**  trans-128.4115.3161.9-69.7176.4000108.4
425Q35.7Very low36.8Very low184 Ų184140 Ų14086%0.8682%0.823SS**  trans-97.5123.9179-71-135.1-30.900111.6A427Q425-A427 PolarHBondContact O-N 3.3Å
426P35.6Very low37Very low126 Ų126133 Ų13382%0.81881%0.813SS**  trans-72.4114.8155.9-9.426.9000108.4
427A38.4Very low36.5Very low97 Ų97132.5 Ų132.580%0.80282%0.819SS**  trans-69.2135.7179.600000111.4Q425Q425-A427 PolarHBondContact O-N 3.3Å
428A38.3Very low36.3Very low93 Ų93132 Ų13277%0.76982%0.816SS**  trans-77.5141.3-17600000113
429L35.4Very low36.2Very low182 Ų182132.1 Ų132.195%0.95382%0.819SS**  trans-110.280161.7-73.5178.2000109.9
430S29.7Very low36.2Very low115 Ų115125.4 Ų125.480%0.80482%0.816SS**  trans-153135.8155.7-1640000109.1
431S32Very low36Very low106 Ų106129 Ų12974%0.74182%0.824SS**  trans-116.6137.5-164.5-610000112.4
432S36.9Very low37Very low125 Ų125130.6 Ų130.687%0.87482%0.821SS**  trans70.9134.1161-55.80000116.7
433A40.4Very low37.4Very low99 Ų99129.4 Ų129.482%0.81882%0.821SS**  cis-148126.6-1.400000112.3
434A35.2Very low37.2Very low99 Ų99134.9 Ų134.982%0.81883%0.827SS**  trans-15475.7165.500000108.8A436A434-A436 VanDerWaalsContact C-N 3.34Å; A434-A436 PolarHBondContact O-N 3.4Å
435Q36.3Very low38Very low205 Ų205132.4 Ų132.496%0.95882%0.819SS**  trans-8278.7-178.5-72.6-173.2-3.500111.4
436A36.4Very low38.2Very low85 Ų85134.4 Ų134.470%0.70282%0.821SS**  trans-89144.2158.200000109.9A434A434-A436 VanDerWaalsContact C-N 3.34Å; A434-A436 PolarHBondContact O-N 3.4Å
437A39.8Very low38.8Very low103 Ų103132 Ų13285%0.85182%0.819SS**  trans-15120.4-178.200000118.2
438L34.1Very low38.8Very low168 Ų168136.1 Ų136.188%0.8882%0.819SS**  trans-106.9135.3164.5-72.6177.1000111.2
439P40.5Very low39.1Very low120 Ų120140.4 Ų140.478%0.77983%0.825SS**  trans-72.7151.9167.232.3-34000110.7
440G34.6Very low39.7Very low78 Ų78137.6 Ų137.680%0.80481%0.811SS**  trans-71.7152.8-177.400000114.2
441H37.8Very low40.3Very low185 Ų185140.7 Ų140.786%0.85681%0.812SS**  trans-122.9143.8168.7-136-106.1000109.1
442P51.3Low40.9Very low100 Ų100140.4 Ų140.465%0.64980%0.802SS**SBendtrans-78.6170.7-169.831.9-37.2000113.6
443L43.3Very low41.6Very low162 Ų162139.9 Ų139.985%0.84879%0.786SS**SBendtrans78.538.1172.3-46.7-175.8000117.6
444Y35.7Very low42.6Very low233 Ų233139.8 Ų139.891%0.91478%0.777SS**  -160141114.2-112.5-75.7000111.3
445T51.8Low44Very low115 Ų115137.1 Ų137.171%0.70675%0.749SS**  trans-102.1173.8175.5-142.30000110.7
446Y38.1Very low45.9Very low227 Ų227132.2 Ų132.289%0.8974%0.735SS**  trans76.6108.7-163.4-60-82.5000113.1
447G48.8Very low48.2Very low75 Ų75130.9 Ų130.977%0.77371%0.714SS**  cis115.328.9000000115.7
448F38.4Very low50.7Low183 Ų183129.4 Ų129.480%0.80370%0.697SS**  trans-145.340.2161.4-147.9-95.2000114L450F448-L450 HydrophobicContact CE1-CD1 4.22Å; F448-L450 HydrophobicContact CE1-CG 4.31Å; F448-L450 PolarHBondContact O-N 2.8Å
449M45.1Very low53.5Low183 Ų183121.7 Ų121.790%0.90166%0.657SS**  trans-85101.4156.2-70.9-142.972.200107.8Q451M449-Q451 PolarHBondContact O-N 2.99Å
450L47.1Very low55.9Low124 Ų124121.7 Ų121.765%0.64965%0.651SS**  trans-51.3133.1167-91.1161.9000109.1F448 N452F448-L450 HydrophobicContact CE1-CD1 4.22Å; F448-L450 HydrophobicContact CE1-CG 4.31Å; F448-L450 PolarHBondContact O-N 2.8Å; L450-N452 VanDerWaalsContact C-N 3.31Å; L450-N452 PolarHBondContact O-N 3.39Å; L450-N452 PolarHBondContact O-ND2 3.33Å
451Q42.4Very low58.6Low180 Ų180122.5 Ų122.584%0.84163%0.63SS**  trans-49.795.3169.7-82.5-79.623.900109.5M449 E453M449-Q451 PolarHBondContact O-N 2.99Å; Q451-E453 PolarHBondContact O-N 3.28Å
452N44.9Very low60.9Low99 Ų99118.7 Ų118.753%0.52962%0.619SS.*  trans-81.268.8161.9-87.1-108000106.7L450 R471L450-N452 VanDerWaalsContact C-N 3.31Å; L450-N452 PolarHBondContact O-N 3.39Å; L450-N452 PolarHBondContact O-ND2 3.33Å; N452-R471 PolarHBondContact OD1-NH1 3.06Å
453E51.7Low62.3Low114 Ų114115.3 Ų115.353%0.53360%0.6SS.*  trans-38.3129.5147.8-146.6-60.8147.100106.7Q451 L455Q451-E453 PolarHBondContact O-N 3.28Å; E453-L455 HydrophobicContact CB-CD1 3.74Å; E453-L455 HydrophobicContact CG-CD1 4.39Å; E453-L455 VanDerWaalsContact O-CD1 3.29Å; E453-L455 WeakPolarHBondContact O-CD1 3.47Å; E453-L455 PolarHBondContact O-N 2.93Å; E453-L455 WeakPolarHBondContact OE2-CD1 3.25Å
454P60.8Low63.7Low98 Ų98113.4 Ų113.464%0.63661%0.608SS**  trans-73.846.9-165.630.1-38000114.7P456P454-P456 WeakPolarHBondContact O-CD 3.41Å
455L64.9Low65.5Low43 Ų43107.6 Ų107.623%0.22560%0.601CS.*  trans-33.3104.5170.5-89.862.8000111.4E453 H457 R471 F472E453-L455 HydrophobicContact CB-CD1 3.74Å; E453-L455 HydrophobicContact CG-CD1 4.39Å; E453-L455 VanDerWaalsContact O-CD1 3.29Å; E453-L455 WeakPolarHBondContact O-CD1 3.47Å; E453-L455 PolarHBondContact O-N 2.93Å; E453-L455 WeakPolarHBondContact OE2-CD1 3.25Å; L455-H457 PolarHBondContact O-N 3.14Å; L455-H457 VanDerWaalsContact O-N 3.13Å; L455-R471 HydrophobicContact CB-CB 4.26Å; L455-R471 HydrophobicContact CD2-CB 3.97Å; L455-R471 PolarHBondContact O-NH2 2.89Å; L455-F472 WeakPolarHBondContact CB-O 3.49Å; L455-F472 VanDerWaalsContact CD2-C 3.46Å; L455-F472 VanDerWaalsContact CG-O 3.27Å; L455-F472 WeakPolarHBondContact CG-O 3.31Å
456P75.9Confident67.1Low101 Ų101103.3 Ų103.366%0.65658%0.579SS**SBendtrans-79.57.5-172.331.7-35.3000113P454P454-P456 WeakPolarHBondContact O-CD 3.41Å
457H85.7Confident69.4Low57 Ų5796.7 Ų96.726%0.26456%0.564SS.*EExtended strand (participates in β ladder)trans-123.688.6-173-56.3-41.4000110.1L455 R471 F472 S475 L478L455-H457 PolarHBondContact O-N 3.14Å; L455-H457 VanDerWaalsContact O-N 3.13Å; H457-R471 CarbonylContact O-C 3.16Å; H457-R471 WeakPolarHBondContact O-CA 3.33Å; H457-F472 HydrophobicContact CB-CB 4.36Å; H457-F472 PolarHBondContact O-N 3.38Å; H457-S475 PolarHBondContact CD2-N 3.26Å; H457-S475 PolarHBondContact NE2-N 2.92Å; H457-L478 HydrophobicContact CB-CB 4.21Å; H457-L478 HydrophobicContact CB-CD1 3.82Å
458S91Very high71.4Confident72 Ų7293.9 Ų93.950%0.50353%0.532SS..EExtended strand (participates in β ladder)trans-103.4129.4172.754.60000111.2L478S458-L478 VanDerWaalsContact C-CD1 3.46Å; S458-L478 WeakPolarHBondContact O-CD1 3.44Å
459C93.8Very high73.8Confident6 Ų690.7 Ų90.74%0.04152%0.524CS..  trans-64.6149.3159.4-158.90000109.5C468 K470 F472C459-C468 CarbonylContact C-O 3.57Å; C459-K470 PolarHBondContact N-O 3.03Å; C459-F472 HydrophobicContact CB-CE2 4.31Å
460N91Very high76Confident121 Ų12187.7 Ų87.765%0.64751%0.506SS*.  trans-14754.2167.9-176.36.6000107.6C468N460-C468 WeakPolarHBondContact CA-O 3.38Å; N460-C468 PolarHBondContact N-O 3.06Å
461W90.1Very high78.2Confident94 Ų9486.7 Ų86.736%0.35649%0.493SS..EExtended strand (participates in β ladder)trans-89.4127.2177.5-176.8-83.1000109.7P467 C468 L482 H485 T486W461-P467 CarbonylContact O-C 3.56Å; W461-C468 PolarHBondContact O-N 3.38Å; W461-L482 HydrophobicContact CB-CD1 4.41Å; W461-L482 HydrophobicContact CD2-CD1 4.34Å; W461-L482 HydrophobicContact CE3-CD1 3.65Å; W461-L482 HydrophobicContact CZ3-CD1 4.32Å; W461-H485 HydrophobicContact CB-CB 4.35Å; W461-H485 AromaticContact CD1-CE1 3.98Å; W461-H485 AromaticContact CD1-CG 3.43Å; W461-H485 VanDerWaalsContact CD1-CG 3.43Å; W461-H485 AromaticContact CD1-ND1 3.33Å; W461-H485 VanDerWaalsContact CD1-ND1 3.33Å; W461-H485 HydrophobicContact CD2-CB 3.83Å; W461-H485 HydrophobicContact CG-CB 3.67Å; W461-H485 AromaticContact CG-CD2 3.99Å; W461-H485 AromaticContact CG-CG 3.59Å; W461-H485 AromaticContact CG-ND1 3.93Å; W461-H485 AromaticContact NE1-ND1 3.96Å; W461-T486 HydrophobicContact CH2-CG2 3.86Å; W461-T486 HydrophobicContact CZ2-CG2 4.34Å; W461-T486 HydrophobicContact CZ3-CG2 4.31Å
462V86.3Confident80.5Confident105 Ų10579.7 Ų79.764%0.63646%0.46SS*.EExtended strand (participates in β ladder)trans-101.1108.6175.9-174.40000108.9P467V462-P467 HydrophobicContact CG2-CB 4.39Å
463A81Confident82.6Confident30 Ų3078.1 Ų78.125%0.24846%0.461CS..EExtended strand (participates in β ladder)trans-104.2173.3174.300000110.9S465 G466A463-S465 PolarHBondContact O-N 3.08Å; A463-S465 VanDerWaalsContact O-N 3.1Å; A463-G466 PolarHBondContact N-O 3.45Å; A463-G466 PolarHBondContact O-N 3.43Å
464A72.8Confident84.5Confident122 Ų12275.7 Ų75.7100%1.00845%0.454SS*.THydrogen-bonded Turntrans-60.6-16.117000000113.3G466A464-G466 VanDerWaalsContact C-N 3.33Å
465S74.1Confident86Confident111 Ų11174.2 Ų74.278%0.77645%0.446SS*.THydrogen-bonded Turntrans-84.61.7171.5600000114.4A463A463-S465 PolarHBondContact O-N 3.08Å; A463-S465 VanDerWaalsContact O-N 3.1Å
466G84.6Confident87.4Confident24 Ų2479.5 Ų79.525%0.24747%0.47CS..EExtended strand (participates in β ladder)trans104.9179.6-174.300000114.2A463 A464A463-G466 PolarHBondContact N-O 3.45Å; A463-G466 PolarHBondContact O-N 3.43Å; A464-G466 VanDerWaalsContact C-N 3.33Å
467P86.9Confident88.3Confident88 Ų8878.5 Ų78.557%0.57146%0.456SS*.EExtended strand (participates in β ladder)trans-69.4154173.731.2-35.4000111.9W461 V462W461-P467 CarbonylContact O-C 3.56Å; V462-P467 HydrophobicContact CG2-CB 4.39Å
468C90.6Very high88.7Confident16 Ų1677.4 Ų77.411%0.10845%0.452CS..EExtended strand (participates in β ladder)trans-125.5106.3176.4-171.50000111.4C459 N460 W461 H481 H485C459-C468 CarbonylContact C-O 3.57Å; N460-C468 WeakPolarHBondContact CA-O 3.38Å; N460-C468 PolarHBondContact N-O 3.06Å; W461-C468 PolarHBondContact O-N 3.38Å; C468-H481 PolarHBondContact SG-NE2 3.4Å; C468-H485 VanDerWaalsContact CB-NE2 3.3Å; C468-H485 WeakPolarHBondContact CB-NE2 3.37Å; C468-H485 PolarHBondContact SG-NE2 3.25Å
469D89.4Confident88.7Confident117 Ų11778 Ų7863%0.62645%0.45SS*.  trans-97.929.4-177.4-60-88.7000113.5R471D469-R471 PolarHBondContact O-N 3.1Å
470K90.8Very high88.6Confident119 Ų11980.8 Ų80.852%0.51747%0.469SS..  trans-67.7130.4-178.4-71-173.4-172.9-177.30111.4C459 F472C459-K470 PolarHBondContact N-O 3.03Å; K470-F472 HydrophobicContact CB-CE2 3.63Å; K470-F472 HydrophobicContact CB-CZ 3.55Å; K470-F472 HydrophobicContact CD-CZ 4.28Å; K470-F472 VanDerWaalsContact O-CE2 3.22Å; K470-F472 WeakPolarHBondContact O-CE2 3.49Å
471R93.2Very high88.7Confident103 Ų10375.8 Ų75.839%0.38944%0.442SS..EExtended strand (participates in β ladder)trans-102.3145.5176.9-55.9-174.770.9177.15110.8N452 L455 H457 D469N452-R471 PolarHBondContact OD1-NH1 3.06Å; L455-R471 HydrophobicContact CB-CB 4.26Å; L455-R471 HydrophobicContact CD2-CB 3.97Å; L455-R471 PolarHBondContact O-NH2 2.89Å; H457-R471 CarbonylContact O-C 3.16Å; H457-R471 WeakPolarHBondContact O-CA 3.33Å; D469-R471 PolarHBondContact O-N 3.1Å
472F90.7Very high88.8Confident33 Ų3374.2 Ų74.215%0.14544%0.44CS..EExtended strand (participates in β ladder)trans-131.9150-175.2-60.2-78.3000111.8L455 H457 C459 K470 E477 L478 H481L455-F472 WeakPolarHBondContact CB-O 3.49Å; L455-F472 VanDerWaalsContact CD2-C 3.46Å; L455-F472 VanDerWaalsContact CG-O 3.27Å; L455-F472 WeakPolarHBondContact CG-O 3.31Å; H457-F472 HydrophobicContact CB-CB 4.36Å; H457-F472 PolarHBondContact O-N 3.38Å; C459-F472 HydrophobicContact CB-CE2 4.31Å; K470-F472 HydrophobicContact CB-CE2 3.63Å; K470-F472 HydrophobicContact CB-CZ 3.55Å; K470-F472 HydrophobicContact CD-CZ 4.28Å; K470-F472 VanDerWaalsContact O-CE2 3.22Å; K470-F472 WeakPolarHBondContact O-CE2 3.49Å; F472-E477 HydrophobicContact CB-CB 3.83Å; F472-E477 HydrophobicContact CD1-CB 3.61Å; F472-E477 HydrophobicContact CG-CB 3.93Å; F472-L478 HydrophobicContact CB-CB 4.34Å; F472-L478 HydrophobicContact CD2-CB 3.85Å; F472-L478 HydrophobicContact CD2-CG 4.33Å; F472-L478 HydrophobicContact CG-CB 4.28Å; F472-H481 HydrophobicContact CE1-CB 4.01Å; F472-H481 HydrophobicContact CE2-CB 3.99Å; F472-H481 AromaticContact CE2-CD2 3.43Å; F472-H481 VanDerWaalsContact CE2-CD2 3.43Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.48Å; F472-H481 AromaticContact CE2-CG 3.97Å; F472-H481 HydrophobicContact CZ-CB 3.45Å; F472-H481 VanDerWaalsContact CZ-CB 3.45Å; F472-H481 AromaticContact CZ-CD2 3.29Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.48Å; F472-H481 AromaticContact CZ-CG 3.44Å; F472-H481 VanDerWaalsContact CZ-CG 3.44Å
473A90.3Very high89.1Confident67 Ų6776.1 Ų76.155%0.55444%0.435SS*.SBendtrans-74.5-31.8177.700000111.5E477A473-E477 PolarHBondContact N-OE2 3.47Å
474T91.1Very high89.4Confident63 Ų6378.2 Ų78.239%0.38745%0.445SS..SBendtrans-122.3156.3-178.767.50000112.2E476 E477 L478T474-E476 VanDerWaalsContact C-N 3.29Å; T474-E477 WeakPolarHBondContact CB-OE2 3.13Å; T474-E477 PolarHBondContact N-OE2 2.75Å; T474-E477 WeakPolarHBondContact OG1-CB 3.15Å; T474-E477 VanDerWaalsContact OG1-CD 3.28Å; T474-E477 WeakPolarHBondContact OG1-CG 3.02Å; T474-E477 PolarHBondContact OG1-N 3.06Å; T474-E477 PolarHBondContact OG1-OE2 2.68Å; T474-L478 PolarHBondContact O-N 3.28Å
475S92.3Very high90Very high67 Ų6774.2 Ų74.247%0.46941%0.406SS..Hα-helixtrans-67.6-31.1172.354.90000111.8H457 L478 L479H457-S475 PolarHBondContact CD2-N 3.26Å; H457-S475 PolarHBondContact NE2-N 2.92Å; S475-L478 PolarHBondContact O-N 3.29Å; S475-L479 WeakPolarHBondContact O-CD1 3.37Å; S475-L479 PolarHBondContact O-N 3.16Å
476E93.8Very high90.3Very high153 Ų15373.2 Ų73.272%0.71540%0.395SS*.Hα-helixtrans-65-41.8177.9-176.7167.1-168.100112.4T474 L479 S480T474-E476 VanDerWaalsContact C-N 3.29Å; E476-L479 CarbonylContact O-C 3.41Å; E476-L479 PolarHBondContact O-N 3.06Å; E476-S480 WeakPolarHBondContact O-CB 3.46Å; E476-S480 PolarHBondContact O-N 2.89Å
477E94.3Very high89.6Confident81 Ų8175.3 Ų75.338%0.37941%0.41SS..Hα-helixtrans-62.9-40.3172.4-71.3164.7124.300112.2F472 A473 T474 L479 S480 H481F472-E477 HydrophobicContact CB-CB 3.83Å; F472-E477 HydrophobicContact CD1-CB 3.61Å; F472-E477 HydrophobicContact CG-CB 3.93Å; A473-E477 PolarHBondContact N-OE2 3.47Å; T474-E477 WeakPolarHBondContact CB-OE2 3.13Å; T474-E477 PolarHBondContact N-OE2 2.75Å; T474-E477 WeakPolarHBondContact OG1-CB 3.15Å; T474-E477 VanDerWaalsContact OG1-CD 3.28Å; T474-E477 WeakPolarHBondContact OG1-CG 3.02Å; T474-E477 PolarHBondContact OG1-N 3.06Å; T474-E477 PolarHBondContact OG1-OE2 2.68Å; E477-L479 VanDerWaalsContact C-N 3.33Å; E477-L479 PolarHBondContact O-N 3.02Å; E477-S480 PolarHBondContact O-N 2.98Å; E477-S480 PolarHBondContact O-OG 3.06Å; E477-H481 WeakPolarHBondContact O-CB 3.39Å; E477-H481 PolarHBondContact O-N 2.88Å
478L94Very high88.1Confident33 Ų3377.7 Ų77.717%0.17342%0.417CS..Hα-helixtrans-62.1-42.4173.2-179.7150.7000111H457 S458 F472 T474 S475 L482H457-L478 HydrophobicContact CB-CB 4.21Å; H457-L478 HydrophobicContact CB-CD1 3.82Å; S458-L478 VanDerWaalsContact C-CD1 3.46Å; S458-L478 WeakPolarHBondContact O-CD1 3.44Å; F472-L478 HydrophobicContact CB-CB 4.34Å; F472-L478 HydrophobicContact CD2-CB 3.85Å; F472-L478 HydrophobicContact CD2-CG 4.33Å; F472-L478 HydrophobicContact CG-CB 4.28Å; T474-L478 PolarHBondContact O-N 3.28Å; S475-L478 PolarHBondContact O-N 3.29Å; L478-L482 VanDerWaalsContact O-CB 3.25Å; L478-L482 WeakPolarHBondContact O-CB 3.19Å; L478-L482 PolarHBondContact O-N 3.4Å
479L92.2Very high86.6Confident86 Ų8682.2 Ų82.245%0.4545%0.446SS..Hα-helixtrans-69.4-34.3176.7-91.679.4000112.4S475 E476 E477 R483S475-L479 WeakPolarHBondContact O-CD1 3.37Å; S475-L479 PolarHBondContact O-N 3.16Å; E476-L479 CarbonylContact O-C 3.41Å; E476-L479 PolarHBondContact O-N 3.06Å; E477-L479 VanDerWaalsContact C-N 3.33Å; E477-L479 PolarHBondContact O-N 3.02Å; L479-R483 VanDerWaalsContact O-CG 3.31Å; L479-R483 WeakPolarHBondContact O-CG 3.29Å; L479-R483 PolarHBondContact O-N 2.86Å; L479-R483 PolarHBondContact O-NH1 2.82Å
480S91.9Very high85Confident63 Ų6378.7 Ų78.744%0.44144%0.438SS..Hα-helixtrans-70-41.5176.176.30000110.7E476 E477 R483 T484E476-S480 WeakPolarHBondContact O-CB 3.46Å; E476-S480 PolarHBondContact O-N 2.89Å; E477-S480 PolarHBondContact O-N 2.98Å; E477-S480 PolarHBondContact O-OG 3.06Å; S480-R483 WeakPolarHBondContact O-CB 3.35Å; S480-R483 PolarHBondContact O-N 3.25Å; S480-T484 PolarHBondContact O-N 3.33Å
481H93.1Very high83.1Confident17 Ų1775.8 Ų75.88%0.07944%0.436CS..Hα-helixtrans-66.9-40.4172.6175.544.3000113.1C468 F472 E477 R483 T484 H485C468-H481 PolarHBondContact SG-NE2 3.4Å; F472-H481 HydrophobicContact CE1-CB 4.01Å; F472-H481 HydrophobicContact CE2-CB 3.99Å; F472-H481 AromaticContact CE2-CD2 3.43Å; F472-H481 VanDerWaalsContact CE2-CD2 3.43Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.48Å; F472-H481 AromaticContact CE2-CG 3.97Å; F472-H481 HydrophobicContact CZ-CB 3.45Å; F472-H481 VanDerWaalsContact CZ-CB 3.45Å; F472-H481 AromaticContact CZ-CD2 3.29Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.48Å; F472-H481 AromaticContact CZ-CG 3.44Å; F472-H481 VanDerWaalsContact CZ-CG 3.44Å; E477-H481 WeakPolarHBondContact O-CB 3.39Å; E477-H481 PolarHBondContact O-N 2.88Å; H481-R483 PolarHBondContact O-N 3.1Å; H481-T484 PolarHBondContact ND1-OG1 3.04Å; H481-T484 WeakPolarHBondContact O-CA 3.48Å; H481-T484 WeakPolarHBondContact O-CB 3.49Å; H481-T484 PolarHBondContact O-N 2.91Å; H481-T484 PolarHBondContact O-OG1 3.1Å; H481-H485 AromaticContact CE1-CD2 3.46Å; H481-H485 PolarHBondContact CE1-CD2 3.37Å; H481-H485 VanDerWaalsContact CE1-CD2 3.46Å; H481-H485 AromaticContact CE1-NE2 3.16Å; H481-H485 PolarHBondContact CE1-NE2 3.38Å; H481-H485 AromaticContact NE2-CD2 3.57Å; H481-H485 AromaticContact NE2-NE2 3.24Å; H481-H485 PolarHBondContact NE2-NE2 3.11Å; H481-H485 PolarHBondContact O-N 2.59Å
482L92.4Very high81.1Confident61 Ų6177 Ų7732%0.31945%0.446SS..Hα-helixtrans-60.5-33.6177.4-171.464.3000111.7W461 L478 T484 H485 T486W461-L482 HydrophobicContact CB-CD1 4.41Å; W461-L482 HydrophobicContact CD2-CD1 4.34Å; W461-L482 HydrophobicContact CE3-CD1 3.65Å; W461-L482 HydrophobicContact CZ3-CD1 4.32Å; L478-L482 VanDerWaalsContact O-CB 3.25Å; L478-L482 WeakPolarHBondContact O-CB 3.19Å; L478-L482 PolarHBondContact O-N 3.4Å; L482-T484 VanDerWaalsContact C-N 3.28Å; L482-T484 PolarHBondContact O-N 2.93Å; L482-H485 WeakPolarHBondContact O-CB 3.45Å; L482-H485 PolarHBondContact O-N 3.11Å; L482-H485 VanDerWaalsContact O-N 3.11Å; L482-T486 PolarHBondContact O-N 2.99Å
483R91.5Very high79Confident144 Ų14484.3 Ų84.354%0.54348%0.478SS..Hα-helixtrans-64.1-28.4170.7-67.1170.4-169.1110.7-14.6113.1L479 S480 H481 H485 T486 A487L479-R483 VanDerWaalsContact O-CG 3.31Å; L479-R483 WeakPolarHBondContact O-CG 3.29Å; L479-R483 PolarHBondContact O-N 2.86Å; L479-R483 PolarHBondContact O-NH1 2.82Å; S480-R483 WeakPolarHBondContact O-CB 3.35Å; S480-R483 PolarHBondContact O-N 3.25Å; H481-R483 PolarHBondContact O-N 3.1Å; R483-H485 PolarHBondContact O-N 3.21Å; R483-T486 PolarHBondContact O-N 3.22Å; R483-T486 PolarHBondContact O-OG1 3.29Å; R483-A487 WeakPolarHBondContact O-CB 3.41Å; R483-A487 PolarHBondContact O-N 3.02Å
484T88.7Confident77Confident75 Ų7588.6 Ų88.646%0.4649%0.49SS..Hα-helixtrans-72.4-15.1173.369.40000113.7S480 H481 L482S480-T484 PolarHBondContact O-N 3.33Å; H481-T484 PolarHBondContact ND1-OG1 3.04Å; H481-T484 WeakPolarHBondContact O-CA 3.48Å; H481-T484 WeakPolarHBondContact O-CB 3.49Å; H481-T484 PolarHBondContact O-N 2.91Å; H481-T484 PolarHBondContact O-OG1 3.1Å; L482-T484 VanDerWaalsContact C-N 3.28Å; L482-T484 PolarHBondContact O-N 2.93Å
485H84.3Confident74.9Confident38 Ų3892 Ų9218%0.17651%0.505CS..Hα-helixtrans-87.2-28.1171.6-82-64000113.3W461 C468 H481 L482 R483W461-H485 HydrophobicContact CB-CB 4.35Å; W461-H485 AromaticContact CD1-CE1 3.98Å; W461-H485 AromaticContact CD1-CG 3.43Å; W461-H485 VanDerWaalsContact CD1-CG 3.43Å; W461-H485 AromaticContact CD1-ND1 3.33Å; W461-H485 VanDerWaalsContact CD1-ND1 3.33Å; W461-H485 HydrophobicContact CD2-CB 3.83Å; W461-H485 HydrophobicContact CG-CB 3.67Å; W461-H485 AromaticContact CG-CD2 3.99Å; W461-H485 AromaticContact CG-CG 3.59Å; W461-H485 AromaticContact CG-ND1 3.93Å; W461-H485 AromaticContact NE1-ND1 3.96Å; C468-H485 VanDerWaalsContact CB-NE2 3.3Å; C468-H485 WeakPolarHBondContact CB-NE2 3.37Å; C468-H485 PolarHBondContact SG-NE2 3.25Å; H481-H485 AromaticContact CE1-CD2 3.46Å; H481-H485 PolarHBondContact CE1-CD2 3.37Å; H481-H485 VanDerWaalsContact CE1-CD2 3.46Å; H481-H485 AromaticContact CE1-NE2 3.16Å; H481-H485 PolarHBondContact CE1-NE2 3.38Å; H481-H485 AromaticContact NE2-CD2 3.57Å; H481-H485 AromaticContact NE2-NE2 3.24Å; H481-H485 PolarHBondContact NE2-NE2 3.11Å; H481-H485 PolarHBondContact O-N 2.59Å; L482-H485 WeakPolarHBondContact O-CB 3.45Å; L482-H485 PolarHBondContact O-N 3.11Å; L482-H485 VanDerWaalsContact O-N 3.11Å; R483-H485 PolarHBondContact O-N 3.21Å
486T79.5Confident72.5Confident90 Ų9093 Ų9355%0.55252%0.518SS*.Hα-helixtrans-89.9-29.6175.756.40000113W461 L482 R483 L488W461-T486 HydrophobicContact CH2-CG2 3.86Å; W461-T486 HydrophobicContact CZ2-CG2 4.34Å; W461-T486 HydrophobicContact CZ3-CG2 4.31Å; L482-T486 PolarHBondContact O-N 2.99Å; R483-T486 PolarHBondContact O-N 3.22Å; R483-T486 PolarHBondContact O-OG1 3.29Å; T486-L488 PolarHBondContact O-N 3.19Å; T486-L488 VanDerWaalsContact O-N 3.11Å
487A70.9Confident69.9Low67 Ų6789.6 Ų89.655%0.55452%0.516SS*.SBendtrans-81.181.4170.300000110.8R483 P489R483-A487 WeakPolarHBondContact O-CB 3.41Å; R483-A487 PolarHBondContact O-N 3.02Å; A487-P489 WeakPolarHBondContact O-CD 3.12Å
488L56.1Low67.3Low138 Ų13895.7 Ų95.772%0.72354%0.537SS*.  trans-32.7102179.2-76.9163000115T486 G490T486-L488 PolarHBondContact O-N 3.19Å; T486-L488 VanDerWaalsContact O-N 3.11Å; L488-G490 PolarHBondContact O-N 2.77Å; L488-G490 VanDerWaalsContact O-N 3.13Å
489P58.8Low64.8Low112 Ų112100.4 Ų100.473%0.72757%0.57SS**THydrogen-bonded Turntrans-76.8100.1170.1-8.727.1000108.4A487A487-P489 WeakPolarHBondContact O-CD 3.12Å
490G54.8Low62.7Low43 Ų43100 Ų10044%0.44359%0.587SS.*THydrogen-bonded Turntrans148.7-12.9-176.100000115.6L488 E492 K493L488-G490 PolarHBondContact O-N 2.77Å; L488-G490 VanDerWaalsContact O-N 3.13Å; G490-E492 VanDerWaalsContact C-N 3.27Å; G490-E492 VanDerWaalsContact CA-OE1 3.27Å; G490-E492 WeakPolarHBondContact CA-OE1 3.27Å; G490-E492 PolarHBondContact N-OE1 3.11Å; G490-E492 PolarHBondContact O-N 3.43Å; G490-K493 PolarHBondContact O-N 3.43Å
491A50.7Low60.3Low58 Ų58101.6 Ų101.648%0.47960%0.604SS.*THydrogen-bonded Turntrans-63.6-32.217800000112.7K493 L494 L495A491-K493 PolarHBondContact O-N 3.35Å; A491-L494 PolarHBondContact O-N 3.06Å; A491-L495 PolarHBondContact O-N 3.13Å
492E51.5Low58.2Low129 Ų129107.3 Ų107.360%0.60365%0.645SS**Hα-helixtrans-59.8-30.2179.737-79.3105.100113.2G490 L494 L495 A496G490-E492 VanDerWaalsContact C-N 3.27Å; G490-E492 VanDerWaalsContact CA-OE1 3.27Å; G490-E492 WeakPolarHBondContact CA-OE1 3.27Å; G490-E492 PolarHBondContact N-OE1 3.11Å; G490-E492 PolarHBondContact O-N 3.43Å; E492-L494 VanDerWaalsContact C-N 3.33Å; E492-L494 PolarHBondContact O-N 3.06Å; E492-L495 PolarHBondContact O-N 3.42Å; E492-A496 PolarHBondContact O-N 3.29Å
493K46.4Very low56.3Low185 Ų185107.9 Ų107.980%0.80467%0.666SS**Hα-helixtrans-82-8.6-176.4-154162.4-173.9174.40114.3G490 A491G490-K493 PolarHBondContact O-N 3.43Å; A491-K493 PolarHBondContact O-N 3.35Å
494L49.1Very low54.4Low157 Ų157107.8 Ų107.882%0.82268%0.675SS**Hα-helixtrans-103.4-23.9168.6-61.3-176.8000112.6A491 E492A491-L494 PolarHBondContact O-N 3.06Å; E492-L494 VanDerWaalsContact C-N 3.33Å; E492-L494 PolarHBondContact O-N 3.06Å
495L47.8Very low52.5Low134 Ų134107.2 Ų107.270%0.70268%0.684SS**Hα-helixtrans-80.6-17.9177.8-167.257.7000113.5A491 E492 A497 Y498A491-L495 PolarHBondContact O-N 3.13Å; E492-L495 PolarHBondContact O-N 3.42Å; L495-A497 PolarHBondContact O-N 3.41Å; L495-Y498 PolarHBondContact O-N 3.44Å
496A40.9Very low50.9Low88 Ų88111 Ų11173%0.72772%0.715SS**THydrogen-bonded Turntrans-61.2-4178.800000115.8E492E492-A496 PolarHBondContact O-N 3.29Å
497A40Very low49.4Very low83 Ų83109.9 Ų109.969%0.68672%0.715SS**THydrogen-bonded Turntrans-84.2-7.4177.200000114.7L495L495-A497 PolarHBondContact O-N 3.41Å
498Y39.3Very low48.5Very low209 Ų209110 Ų11082%0.8272%0.715SS**  trans-130.4105.6-177.4-107.3-94.7000113L495 G500L495-Y498 PolarHBondContact O-N 3.44Å; Y498-G500 PolarHBondContact O-N 3.19Å
499P40.8Very low48.1Very low132 Ų132106.6 Ų106.686%0.85771%0.707SS**  trans-82.1115.617331.3-31.3000111.3
500G48.1Very low47.5Very low78 Ų78104.3 Ų104.380%0.80470%0.698SS**  trans124.569.9163.600000116.7Y498Y498-G500 PolarHBondContact O-N 3.19Å
501A41.8Very low47.3Very low96 Ų96105.4 Ų105.479%0.79370%0.703SS**  trans-147.531.5169.500000113.9G503A501-G503 PolarHBondContact O-N 3.37Å
502S49.8Very low47.3Very low136 Ų136106 Ų10695%0.95171%0.708SS**THydrogen-bonded Turntrans-6994177.1-58.50000111.2
503G51.7Low47.1Very low73 Ų73103.5 Ų103.575%0.75371%0.709SS**THydrogen-bonded Turntrans171.5-16.7173.800000118.9A501A501-G503 PolarHBondContact O-N 3.37Å
504L51.5Low47Very low143 Ų14397.3 Ų97.375%0.74969%0.693SS**  trans-136.732.4-169.2-145.673.7000115.8S506L504-S506 PolarHBondContact O-N 3.4Å
505G48.5Very low47Very low63 Ų6393.9 Ų93.965%0.64969%0.687SS**Hα-helixtrans-62-32.2-16900000116.8A507G505-A507 PolarHBondContact O-N 2.92Å
506S51Low46.9Very low118 Ų11892.7 Ų92.783%0.82569%0.69SS**Hα-helixtrans-78.5-16-168-51.40000115.7L504L504-S506 PolarHBondContact O-N 3.4Å
507A49.1Very low46.8Very low66 Ų6693.2 Ų93.255%0.54569%0.687SS.*Hα-helixtrans-91.5-42.5-177.700000112.9G505 A509 A510 A511G505-A507 PolarHBondContact O-N 2.92Å; A507-A509 PolarHBondContact O-N 3.23Å; A507-A510 PolarHBondContact O-N 3.47Å; A507-A511 PolarHBondContact O-N 3.44Å
508A50.7Low47.3Very low68 Ų6898.2 Ų98.256%0.56270%0.696SS**Hα-helixtrans-68.6-35.3-175.600000113A510 A511 A512A508-A510 VanDerWaalsContact C-N 3.32Å; A508-A510 PolarHBondContact O-N 2.96Å; A508-A511 PolarHBondContact O-N 2.89Å; A508-A512 PolarHBondContact O-N 3.02Å
509A47.6Very low47.5Very low67 Ų6796 Ų9655%0.55470%0.697SS**Hα-helixtrans-62.3-38.1177.400000112.5A507 A512 A513A507-A509 PolarHBondContact O-N 3.23Å; A509-A512 PolarHBondContact O-N 3.38Å; A509-A513 PolarHBondContact O-N 3.25Å
510A46.4Very low47.7Very low65 Ų6598.1 Ų98.154%0.53770%0.695SS.*Hα-helixtrans-67.3-38.5175.700000112.1A507 A508 A513 A514A507-A510 PolarHBondContact O-N 3.47Å; A508-A510 VanDerWaalsContact C-N 3.32Å; A508-A510 PolarHBondContact O-N 2.96Å; A510-A513 PolarHBondContact O-N 3.38Å; A510-A514 PolarHBondContact O-N 2.96Å
511A50.1Low47.2Very low66 Ų66102 Ų10255%0.54570%0.697SS.*Hα-helixtrans-66.3-38.4175.400000112.4A507 A508 A514 A515A507-A511 PolarHBondContact O-N 3.44Å; A508-A511 PolarHBondContact O-N 2.89Å; A511-A514 PolarHBondContact O-N 3.48Å; A511-A515 PolarHBondContact O-N 3.23Å
512A50.5Low47.5Very low71 Ų71101.8 Ų101.859%0.58769%0.688SS**Hα-helixtrans-66.2-40.6174.600000112.3A508 A509 A514 A515A508-A512 PolarHBondContact O-N 3.02Å; A509-A512 PolarHBondContact O-N 3.38Å; A512-A514 VanDerWaalsContact C-N 3.3Å; A512-A514 PolarHBondContact O-N 3.01Å; A512-A515 WeakPolarHBondContact O-CB 3.37Å; A512-A515 PolarHBondContact O-N 3.25Å
513A47.3Very low48.1Very low75 Ų75100.9 Ų100.962%0.6268%0.678SS**Hα-helixtrans-63.8-34174.500000112.7A509 A510 A515A509-A513 PolarHBondContact O-N 3.25Å; A510-A513 PolarHBondContact O-N 3.38Å; A513-A515 VanDerWaalsContact C-N 3.29Å; A513-A515 PolarHBondContact O-N 3.21Å
514A45.8Very low47.7Very low56 Ų56103.7 Ų103.746%0.46368%0.683SS.*Hα-helixtrans-69.1-23.4175.100000113.5A510 A511 A512 S516 C517A510-A514 PolarHBondContact O-N 2.96Å; A511-A514 PolarHBondContact O-N 3.48Å; A512-A514 VanDerWaalsContact C-N 3.3Å; A512-A514 PolarHBondContact O-N 3.01Å; A514-S516 PolarHBondContact O-N 3.42Å; A514-S516 VanDerWaalsContact O-N 3.11Å; A514-C517 PolarHBondContact O-N 3.3Å
515A49.2Very low47.1Very low84 Ų84101.8 Ų101.869%0.69469%0.688SS**THydrogen-bonded Turntrans-65.5-15.3-176.700000114.4A511 A512 A513A511-A515 PolarHBondContact O-N 3.23Å; A512-A515 WeakPolarHBondContact O-CB 3.37Å; A512-A515 PolarHBondContact O-N 3.25Å; A513-A515 VanDerWaalsContact C-N 3.29Å; A513-A515 PolarHBondContact O-N 3.21Å
516S44.7Very low46.8Very low110 Ų110103.3 Ų103.377%0.76970%0.695SS**THydrogen-bonded Turntrans-93.1-0.2172.9-165.90000114A514A514-S516 PolarHBondContact O-N 3.42Å; A514-S516 VanDerWaalsContact O-N 3.11Å
517C39.8Very low46.3Very low98 Ų98104.2 Ų104.266%0.66270%0.698SS**SBendtrans-127.193.8179.8-75.50000110.1A514 L519A514-C517 PolarHBondContact O-N 3.3Å; C517-L519 PolarHBondContact O-N 3.29Å
518H50.8Low45.9Very low188 Ų188104.6 Ų104.687%0.8771%0.708SS**  trans-76.274.7-156.6-159.8-69.8000115.4
519L41.9Very low45Very low163 Ų163107.2 Ų107.285%0.85372%0.723SS**  trans-118.4133.2164.8-90.789.6000112.9C517 L521C517-L519 PolarHBondContact O-N 3.29Å; L519-L521 PolarHBondContact O-N 2.94Å
520H45.2Very low44.9Very low176 Ų176110 Ų11082%0.81574%0.735SS**  trans-84.596.5-176.6175.4-70.5000111.3
521L38.7Very low44.5Very low161 Ų161110.2 Ų110.284%0.84374%0.744SS**  trans-109.9116.4172.5-142.575.9000110.2L519L519-L521 PolarHBondContact O-N 2.94Å
522P46.5Very low44Very low91 Ų91112.6 Ų112.659%0.59176%0.756SS**PPolyproline II helixtrans-73.2143.7174.430.7-33.5000110.5
523P63.4Low43.6Very low117 Ų117116.5 Ų116.576%0.7677%0.766SS**PPolyproline II helixtrans-69.1144.8177.728.8-34.5000111.5A525P523-A525 PolarHBondContact O-N 3.29Å
524P42.3Very low43Very low131 Ų131119 Ų11985%0.85178%0.78SS**PPolyproline II helixtrans-69.9123.9175.928.7-33.6000110.7
525A40.1Very low42.6Very low103 Ų103123.9 Ų123.985%0.85180%0.797SS**PPolyproline II helixtrans-78.3126.4177.400000111.3P523P523-A525 PolarHBondContact O-N 3.29Å
526A41.1Very low42Very low96 Ų96130.8 Ų130.879%0.79381%0.805SS**PPolyproline II helixtrans-82.7146.3168.500000110.7
527P42.3Very low41.5Very low136 Ų136130 Ų13088%0.88380%0.799SS**PPolyproline II helixtrans-84.5133.5-173.132-34.4000113.6
528G39.4Very low41.6Very low75 Ų75131.3 Ų131.377%0.77381%0.807SS**  trans105.885.7150.600000118.3
529S31.2Very low41.2Very low123 Ų123129.7 Ų129.786%0.8680%0.8SS**  trans-164.6152.5134.5-119.40000111.6
530P47.3Very low41.2Very low125 Ų125127.8 Ų127.881%0.81280%0.795SS**  trans-100.9142-171.336.6-33.3000115.4
531G36Very low41.1Very low70 Ų70128.1 Ų128.172%0.72280%0.801SS**  trans87.5119.513900000119.6
532S39.6Very low41.3Very low116 Ų116123.9 Ų123.981%0.81180%0.797SS**  trans60.8136.1155.7-79.30000118.7
533L42.5Very low41.2Very low152 Ų152128 Ų12880%0.79681%0.813SS**  cis-133.1145.915.2-65.6165000111.2
534S34.7Very low40.2Very low129 Ų129128.1 Ų128.190%0.90282%0.816SS**  trans-149.5123.4157.6-81.90000109.6
535L36.9Very low40.5Very low158 Ų158131.9 Ų131.983%0.82781%0.814SS**  trans-92.9131-173-83.8157.1000111.3
536R36.8Very low40.4Very low228 Ų228137.6 Ų137.686%0.8681%0.814SS**  trans57.795.1166.4-72-175.116291.30.1117.6
537S36Very low41Very low93 Ų93139.1 Ų139.165%0.6581%0.805SS**PPolyproline II helixtrans-68.4144.6132.6-57.10000110.3
538P40.9Very low41.4Very low126 Ų126137.6 Ų137.682%0.81880%0.795SS**PPolyproline II helixtrans-92.4129.314232.7-26.1000109.1
539H43Very low41.9Very low155 Ų155144.6 Ų144.672%0.71880%0.8SS**PPolyproline II helixtrans-89.6140177.8-84.2-96.3000112.2
540T41.1Very low42.3Very low122 Ų122142 Ų14275%0.74879%0.793SS**  trans52.2104.1149.457.10000119.4
541L44.4Very low42.4Very low183 Ų183146 Ų14696%0.95880%0.797SS**  -129.1148.4119.1-76-177.2000108.7
542G42.4Very low42.4Very low72 Ų72148.8 Ų148.874%0.74281%0.806SS**  trans-90.2123.9-157.900000115.6S544G542-S544 PolarHBondContact O-N 3.5Å
543L42.9Very low42.4Very low179 Ų179151.4 Ų151.494%0.93781%0.805SS**  trans-75.6100.4154.1-77.4172.2000108.8R545L543-R545 PolarHBondContact O-N 3.39Å; L543-R545 VanDerWaalsContact O-N 3.1Å
544S42.7Very low42.4Very low118 Ų118151.5 Ų151.583%0.82581%0.805SS**  trans-58.8112.7177.4-70.10000111.2G542 Y546G542-S544 PolarHBondContact O-N 3.5Å; S544-Y546 PolarHBondContact O-N 3.1Å
545R48.4Very low42.1Very low211 Ų211151.7 Ų151.780%0.79681%0.806SS**  trans-62.9103.8-179.6-173.6-176.1-61.2-130.9-3.6110.2L543 H547L543-R545 PolarHBondContact O-N 3.39Å; L543-R545 VanDerWaalsContact O-N 3.1Å; R545-H547 VanDerWaalsContact CD-NE2 3.28Å; R545-H547 WeakPolarHBondContact CD-NE2 3.28Å; R545-H547 PolarHBondContact O-N 2.87Å
546Y39.3Very low42Very low222 Ų222150.7 Ų150.787%0.87181%0.807SS**  trans-70.988.1-175.9-158.3-84.5000111.4S544S544-Y546 PolarHBondContact O-N 3.1Å
547H52.8Low41.9Very low128 Ų128144.3 Ų144.359%0.59380%0.803SS**  trans-83.6132.8167.6-84.6-93.8000109.7R545 Y549R545-H547 VanDerWaalsContact CD-NE2 3.28Å; R545-H547 WeakPolarHBondContact CD-NE2 3.28Å; R545-H547 PolarHBondContact O-N 2.87Å; H547-Y549 PolarHBondContact O-N 3.05Å; H547-Y549 VanDerWaalsContact O-N 3.1Å
548P50.6Low41.7Very low104 Ų104144 Ų14468%0.67582%0.815SS**SBendtrans-67.8-13.1-172.725.6-34.5000114.8
549Y50.6Low41.4Very low223 Ų223141.6 Ų141.688%0.87581%0.813SS**SBendtrans-13990.4173.5-66.7-75.1000111.2H547H547-Y549 PolarHBondContact O-N 3.05Å; H547-Y549 VanDerWaalsContact O-N 3.1Å
550G39.9Very low40.9Very low69 Ų69142.6 Ų142.671%0.71182%0.823SS**  trans-149.2104.8173.900000111.4
551K49.1Very low40.5Very low208 Ų208141 Ų14190%0.90482%0.821SS**  trans-97.2118.4176.3-62.9176.5-178.9176.60109.3
552S35.1Very low40.1Very low129 Ų129138.5 Ų138.590%0.90281%0.814SS**  trans-163.3151158.7-86.20000113.5
553H40.9Very low39.9Very low171 Ų171141 Ų14179%0.79282%0.817SS**  trans-64.1144.4-165.2-84.4-140.5000118.3
554L41.8Very low39.5Very low153 Ų153138 Ų13880%0.80181%0.811SS**  trans33.4122.2132.2-59.7169.9000120.6
555S29.1Very low39.2Very low133 Ų133140.1 Ų140.193%0.9381%0.812SS**  -160.4166.8121.7-87.10000112.4
556T33.8Very low38.8Very low138 Ų138136 Ų13685%0.84781%0.813SS**  trans-99.4151.2-162-176.10000114.3
557A35.5Very low38.5Very low93 Ų93132.4 Ų132.477%0.76981%0.814SS**  156.7143.5115.900000114.5
558G31.6Very low38.1Very low87 Ų87130.7 Ų130.790%0.89782%0.822SS**  trans85.4122.7154.300000117.5
559G35.2Very low37.5Very low75 Ų75128.9 Ų128.977%0.77382%0.822SS**  trans-160.8149.3174.200000113.8
560L31.6Very low37Very low177 Ų177124.8 Ų124.893%0.92782%0.822SS**  trans-152.3153.2170.7-65.5174.8000106.1
561A32.8Very low37.1Very low87 Ų87132.2 Ų132.272%0.71983%0.831SS**  cis178.7112.1-23.300000102.8
562V35.8Very low36.5Very low132 Ų132133.2 Ų133.280%0.883%0.83SS**  trans-136.4132.7-178.8-175.40000107.5
563P39.6Very low36.6Very low125 Ų125131.2 Ų131.281%0.81282%0.816SS**  trans-73.5143.7-173.929.2-35.1000112.5
564S32.8Very low36.8Very low115 Ų115128.8 Ų128.880%0.80482%0.816SS**  trans-134137.1169.5-72.30000110.1
565L37.1Very low37Very low162 Ų162131.8 Ų131.885%0.84882%0.818SS**PPolyproline II helixtrans-76159170-10364.7000110.7T567L565-T567 PolarHBondContact O-N 2.89Å
566P40.5Very low38Very low126 Ų126129.3 Ų129.382%0.81881%0.806SS**PPolyproline II helixtrans-78.4120.2-168.729.9-34.5000113.2
567T33.3Very low38.9Very low146 Ų146131.1 Ų131.190%0.89681%0.809SS**PPolyproline II helixtrans-77.7125.4163.4-68.90000109.9L565L565-T567 PolarHBondContact O-N 2.89Å
568A43.8Very low39.7Very low92 Ų92138.2 Ų138.276%0.7682%0.818SS**PPolyproline II helixtrans-102.9148174.600000112.2
569G37.2Very low40.2Very low65 Ų65137.1 Ų137.167%0.6781%0.806SS**  trans53.2103.1149.700000119.3Y571G569-Y571 VanDerWaalsContact C-N 3.27Å; G569-Y571 PolarHBondContact O-N 3.42Å
570P39.7Very low40.8Very low137 Ų137143.3 Ų143.389%0.8982%0.815SS**SBendtrans-77.269.8173.934.1-36.2000112.4
571Y43.8Very low41.4Very low225 Ų225145.3 Ų145.388%0.88281%0.81SS**  trans-153.284.7171-127.1-83.1000112.2G569G569-Y571 VanDerWaalsContact C-N 3.27Å; G569-Y571 PolarHBondContact O-N 3.42Å
572Y35.9Very low41.9Very low230 Ų230148.5 Ų148.590%0.90281%0.814SS**  trans-147.2147.5165.8-139.2-94.8000112.3
573S37.8Very low42Very low87 Ų87146.9 Ų146.961%0.60882%0.815SS**  trans-96139.4-167.1-174.40000112.9Y575S573-Y575 PolarHBondContact O-N 3.1Å
574P43.5Very low41.9Very low119 Ų119146 Ų14677%0.77381%0.811SS**SBendtrans-82.232-171.135.1-38.5000115.3
575Y45.7Very low42Very low216 Ų216145.3 Ų145.385%0.84781%0.813SS**  trans-136.781.4177.3-91.5-83.7000112.4S573S573-Y575 PolarHBondContact O-N 3.1Å
576A51.9Low42Very low82 Ų82143.7 Ų143.768%0.67882%0.815SS**  trans-129.311.3175.800000114.2Y578A576-Y578 VanDerWaalsContact C-N 3.31Å; A576-Y578 PolarHBondContact O-N 3.26Å
577L51.2Low41.9Very low176 Ų176142.4 Ų142.492%0.92182%0.815SS**  trans-90.443.7-177.3-68.1177.9000113.9
578Y53Low42.4Very low242 Ų242143.8 Ų143.895%0.94982%0.816SS**SBendtrans-149.352.2174.5-133.3-88.4000113.2A576A576-Y578 VanDerWaalsContact C-N 3.31Å; A576-Y578 PolarHBondContact O-N 3.26Å
579G42.8Very low42Very low63 Ų63141.9 Ų141.965%0.64981%0.806SS**  trans-143.7-3.1-172.600000118.4R581G579-R581 PolarHBondContact O-N 2.88Å
580Q47Very low41.8Very low206 Ų206149.7 Ų149.796%0.96382%0.816SS**  trans-79.680.6-173.6-151.275.215.900112.5
581R43.3Very low41.7Very low219 Ų219155.3 Ų155.383%0.82683%0.831SS**  trans-140.1109.8176.2-170.8-174.5-68.9-166.81.7113.3G579G579-R581 PolarHBondContact O-N 2.88Å
582L43.9Very low41.6Very low154 Ų154151.8 Ų151.881%0.80683%0.828SS**  trans58.392.1155.2-60.7172000119.1
583A37.2Very low41.9Very low97 Ų97147.7 Ų147.780%0.80282%0.824SS**  trans-145.9117.4132.800000105.9
584S37.7Very low42.1Very low106 Ų106151.1 Ų151.174%0.74184%0.836SS**  cis67.1116.441.4-51.30000112.1
585A36.3Very low42Very low101 Ų101152.9 Ų152.984%0.83584%0.84SS**  trans-78.2156.4-174.300000112.9
586S35.7Very low41.8Very low129 Ų129149 Ų14990%0.90284%0.839SS**  trans-150.6130.9152.8-79.40000108.8
587A39.9Very low41.1Very low98 Ų98153.5 Ų153.581%0.8185%0.85SS**  trans-119119.5171.100000108
588L42.3Very low40.4Very low175 Ų175151.9 Ų151.992%0.91685%0.845SS**  trans-177.6143.5171.5-97.1152.9000104.9
589G34.9Very low39.4Very low53 Ų53144.9 Ų144.955%0.54684%0.837SS.*  cis133.9117.60.600000109.5
590Y33.9Very low39.1Very low228 Ų228151.8 Ų151.889%0.89485%0.853SS**  trans66.4150.7-166.6-60.5-94000113.9
591Q37.2Very low38.4Very low255 Ų255146.8 Ų146.8100%1.19284%0.843SS**  cis-132.900.9-171.5177.4-4900110.7

Retrieved 591 of 591 residues in 189.9 ms (Link to these results)