A0A077ZPC9_TRITR Loading...

INCENP ARK-bind domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZPC9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 490 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
1M34.8Very low32.8Very low240 Ų240162.2 Ų162.2100%1.18287%0.869SS**  0134.40-78.9-175.416100107.9
2N33.6Very low32.3Very low168 Ų168161.1 Ų161.190%0.89886%0.855SS**  trans-73.8130.2-146.7-61.6-22.1000114.9
3A33.1Very low32Very low94 Ų94160.8 Ų160.878%0.77784%0.842SS**  trans-111.5116.7158.200000105.8
4F30.3Very low31.6Very low198 Ų198159 Ų15987%0.86883%0.833SS**  49.4130.183.4-95.2-85.1000114.7
5E34.4Very low31.6Very low176 Ų176156.8 Ų156.882%0.82284%0.837SS**  trans84.5107.5170.7-65.4-176.6133.800118.4
6T35.4Very low31.4Very low140 Ų140153.8 Ų153.886%0.85983%0.831SS**  -171158.894.222.10000111.5
7P32.1Very low31.2Very low120 Ų120153 Ų15378%0.77982%0.819SS**  trans-115.8170.1-139.726.8-5.7000115.6
8R34Very low31Very low241 Ų241155.1 Ų155.191%0.90982%0.819SS**  trans-43159.7175.6-77.6179.1170.3172.6-3115.7
9P31.1Very low30.9Very low125 Ų125155.2 Ų155.281%0.81282%0.819SS**  -120134.612828.5-14.8000112.6
10S28.7Very low30.6Very low101 Ų101154.6 Ų154.671%0.70682%0.815SS**  trans-53.3138.5170.8500000114.9
11L33.5Very low30.4Very low181 Ų181153.9 Ų153.995%0.94881%0.812SS**  trans-125.4115.3143.3-88.4170.8000109.9
12Q27Very low30Very low149 Ų149153 Ų15370%0.69680%0.795SS**  trans-68154.4174.6-85.8-175.7-12.900112.4
13K28.4Very low29.5Very low158 Ų158150.1 Ų150.169%0.68780%0.795SS**  trans85114.3140.9-79.4164.7178.5163.70119.6
14D26.4Very low29.3Very low135 Ų135150.9 Ų150.972%0.72279%0.789SS**  60.6104.3124.2-58.2-22.3000118
15S30.6Very low29.1Very low126 Ų126149.1 Ų149.188%0.88179%0.789SS**  trans-162.781.2136.6-800000110.6
16S29.1Very low29Very low108 Ų108145.9 Ų145.976%0.75579%0.786SS**  trans-73.1137.9158.1-33.80000109.7
17K28.3Very low28.7Very low141 Ų141142.5 Ų142.561%0.61378%0.779SS**SBendtrans77.8130.9160.1-53.8-178176.2-1790118.1
18K27.5Very low28.7Very low190 Ų190141.8 Ų141.883%0.82678%0.777SS**  trans9491.3153.6-55.8-173.3178.2-174.90116.5
19L28.2Very low28.7Very low158 Ų158140.1 Ų140.183%0.82777%0.771SS**  trans-146.985.9134.4-124.6126.1000110.1
20I25.5Very low28.8Very low143 Ų143145.2 Ų145.273%0.73377%0.774SS**  trans-61.5146.7144.8-67.2159.8000106.2
21D25.5Very low29.1Very low140 Ų140149.3 Ų149.375%0.74978%0.782SS**  trans77.682.6172.7-55.5-28.9000118.1
22R26.2Very low28.8Very low221 Ų221152.8 Ų152.883%0.83478%0.782SS**  trans-151.986.5140.2-143.3171.1-179.8158.3-1.3112.4V24R22-V24 HydrophobicContact CG-CG2 3.93Å; R22-V24 PolarHBondContact O-N 3.37Å
23A24.7Very low28.9Very low107 Ų107148.2 Ų148.288%0.88478%0.775SS**  trans-60120.2161.100000109.5
24V28.8Very low29Very low110 Ų110147 Ų14767%0.66778%0.777SS**  trans-141.6114167.1-158.30000110.3R22R22-V24 HydrophobicContact CG-CG2 3.93Å; R22-V24 PolarHBondContact O-N 3.37Å
25N26.3Very low29.4Very low162 Ų162150.7 Ų150.787%0.86679%0.786SS**  trans-55123.2175.3-81.8-46.6000113.7
26S31.4Very low29.8Very low107 Ų107151.1 Ų151.175%0.74878%0.778SS**  trans-143.672.8161.935.70000113.4
27G28.8Very low30.3Very low69 Ų69151 Ų15171%0.71177%0.769SS**  trans25.190.2142.300000120.7
28S32.8Very low31.1Very low106 Ų106148.7 Ų148.774%0.74177%0.771SS**  trans-68125.3144.3179.90000108.5R30S28-R30 VanDerWaalsContact C-N 3.31Å; S28-R30 PolarHBondContact O-N 3.37Å
29R34.5Very low32.2Very low206 Ų206141.7 Ų141.778%0.77774%0.743SS**  trans-73.887.8-177.9-168.9-177.4-166.5-162.64.1108.1Q31R29-Q31 PolarHBondContact O-N 3.2Å
30R33.5Very low32.7Very low232 Ų232138.6 Ų138.688%0.87573%0.726SS**  trans-52.2105.4163.8-68.7-172.9177.6-153.7-1108.1S28 R32S28-R30 VanDerWaalsContact C-N 3.31Å; S28-R30 PolarHBondContact O-N 3.37Å; R30-R32 PolarHBondContact O-N 3.24Å
31Q33.8Very low33.8Very low186 Ų186136.4 Ų136.487%0.86971%0.711SS**  trans-62.1123.7155.7-96.2-175.2-8.700105.6R29 G33R29-Q31 PolarHBondContact O-N 3.2Å; Q31-G33 PolarHBondContact O-N 3.42Å
32R27.7Very low34.6Very low254 Ų254133.9 Ų133.996%0.95870%0.701SS**  trans-68.471.2172.1-68-178.5-171.2-168.21.7108.3R30R30-R32 PolarHBondContact O-N 3.24Å
33G29.1Very low35.7Very low54 Ų54125.3 Ų125.356%0.55767%0.672SS**  trans-81.3168.5149.300000108.3Q31Q31-G33 PolarHBondContact O-N 3.42Å
34N31.4Very low37.1Very low133 Ų133127.9 Ų127.971%0.71167%0.665SS**  trans-45.5146.2-171.2-98.7-29000113.8N36 D37N34-N36 PolarHBondContact O-N 2.93Å; N34-D37 PolarHBondContact O-N 3.49Å
35K34.8Very low37.7Very low211 Ų211130.3 Ų130.392%0.91767%0.667SS**THydrogen-bonded Turntrans-60.811.4179.1-77.6179175.7175.60114.9
36N37.4Very low38.3Very low135 Ų135125 Ų12572%0.72265%0.652SS**THydrogen-bonded Turntrans-121.4-1.4-172.7-59.9-2000113.5N34 S38N34-N36 PolarHBondContact O-N 2.93Å; N36-S38 PolarHBondContact O-N 3.02Å
37D40.7Very low38.6Very low106 Ų106124 Ų12457%0.56764%0.637SS**  trans-101.357-176.8-58.3-27.4000111.6N34 N39N34-D37 PolarHBondContact O-N 3.49Å; D37-N39 PolarHBondContact O-N 2.9Å; D37-N39 VanDerWaalsContact O-N 3.17Å
38S44.9Very low39.2Very low92 Ų92127.2 Ų127.264%0.64363%0.633SS**THydrogen-bonded Turntrans-69.1-10.3-171.851.30000115.4N36N36-S38 PolarHBondContact O-N 3.02Å
39N50.4Low39.5Very low44 Ų44127 Ų12724%0.23562%0.617CS.*THydrogen-bonded Turntrans-121.97.7-165.4-59.50.1000115.2D37 F41 M50 F51D37-N39 PolarHBondContact O-N 2.9Å; D37-N39 VanDerWaalsContact O-N 3.17Å; N39-F41 WeakPolarHBondContact O-CD2 3.41Å; N39-M50 WeakPolarHBondContact O-CA 3.42Å; N39-F51 WeakPolarHBondContact CB-O 3.47Å; N39-F51 VanDerWaalsContact CG-O 3.27Å; N39-F51 PolarHBondContact ND2-O 3.2Å; N39-F51 PolarHBondContact O-N 3.05Å
40L39Very low39.8Very low92 Ų92124.2 Ų124.248%0.48261%0.614SS.*EExtended strand (participates in β ladder)trans-90.7113.5174.7-161.478.8000109.9E48 Y49 M50L40-E48 HydrophobicContact CD1-CB 4.4Å; L40-Y49 CarbonylContact C-O 3.42Å; L40-Y49 WeakPolarHBondContact CA-O 3.49Å; L40-M50 HydrophobicContact CD1-CB 4.19Å
41F47.7Very low40.3Very low97 Ų97117.4 Ų117.443%0.42559%0.591SS.*EExtended strand (participates in β ladder)trans-110.8136.2175-63.6-99.4000108.7N39 E48 Y49 F51N39-F41 WeakPolarHBondContact O-CD2 3.41Å; F41-E48 CarbonylContact O-C 3.58Å; F41-E48 WeakPolarHBondContact O-CA 3.46Å; F41-Y49 PolarHBondContact N-O 3.17Å; F41-Y49 PolarHBondContact O-N 3.11Å; F41-F51 HydrophobicContact CB-CE2 4.25Å; F41-F51 AromaticContact CD2-CD2 3.29Å; F41-F51 HydrophobicContact CD2-CD2 3.29Å; F41-F51 AromaticContact CD2-CE2 3.47Å; F41-F51 HydrophobicContact CD2-CE2 3.47Å; F41-F51 VanDerWaalsContact CD2-CE2 3.47Å; F41-F51 AromaticContact CE2-CD2 3.5Å; F41-F51 HydrophobicContact CE2-CD2 3.5Å; F41-F51 VanDerWaalsContact CE2-CD2 3.5Å; F41-F51 AromaticContact CE2-CE2 3.96Å; F41-F51 HydrophobicContact CE2-CE2 3.96Å; F41-F51 HydrophobicContact CG-CD2 4.24Å; F41-F51 AromaticContact CG-CE2 3.97Å; F41-F51 HydrophobicContact CG-CE2 3.97Å
42V42.4Very low40.5Very low88 Ų88114.4 Ų114.453%0.53357%0.573SS.*EExtended strand (participates in β ladder)trans-113.3120.6172.7-170.70000106.3I47 E48V42-I47 WeakPolarHBondContact CA-O 3.38Å; V42-E48 HydrophobicContact CG2-CG 4.14Å
43D50.7Low41.1Very low41 Ų41108.7 Ų108.722%0.21956%0.557CS.*  trans-69.4-176.8174.771.84.1000111.8F45 G46 I47 Y49D43-F45 PolarHBondContact O-N 3.09Å; D43-F45 VanDerWaalsContact OD1-C 3.27Å; D43-F45 VanDerWaalsContact OD1-CA 3.29Å; D43-F45 WeakPolarHBondContact OD1-CA 3.37Å; D43-F45 WeakPolarHBondContact OD1-CB 3.23Å; D43-F45 PolarHBondContact OD1-N 3.21Å; D43-G46 PolarHBondContact O-N 2.9Å; D43-G46 PolarHBondContact OD1-N 3.19Å; D43-I47 PolarHBondContact N-O 2.91Å; D43-I47 PolarHBondContact OD1-N 3.44Å; D43-I47 WeakPolarHBondContact OD2-CB 3.21Å; D43-Y49 HydrophobicContact CB-CD2 4.33Å; D43-Y49 HydrophobicContact CB-CE2 3.65Å; D43-Y49 PolarHBondContact OD2-OH 2.95Å
44E52.2Low41.4Very low160 Ų160108.9 Ų108.975%0.74855%0.545SS*.THydrogen-bonded Turntrans-71.2-14.9176.260.7-174177.600114.4
45F42.7Very low41.8Very low161 Ų161107.9 Ų107.971%0.70655%0.546SS*.THydrogen-bonded Turntrans-94-6.4177.9-56.9-74.1000113.4D43 I47D43-F45 PolarHBondContact O-N 3.09Å; D43-F45 VanDerWaalsContact OD1-C 3.27Å; D43-F45 VanDerWaalsContact OD1-CA 3.29Å; D43-F45 WeakPolarHBondContact OD1-CA 3.37Å; D43-F45 WeakPolarHBondContact OD1-CB 3.23Å; D43-F45 PolarHBondContact OD1-N 3.21Å; F45-I47 HydrophobicContact CB-CD1 4.43Å; F45-I47 HydrophobicContact CB-CG1 4.26Å
46G39.3Very low41.7Very low52 Ų52102.1 Ų102.154%0.53652%0.523SS..SBendtrans84.216.7-177.300000113.9D43D43-G46 PolarHBondContact O-N 2.9Å; D43-G46 PolarHBondContact OD1-N 3.19Å
47I36.5Very low41.6Very low85 Ų85103.5 Ų103.544%0.43652%0.519SS..  trans-80.5125.2171.6-53.2178.2000107.7V42 D43 F45 Y49V42-I47 WeakPolarHBondContact CA-O 3.38Å; D43-I47 PolarHBondContact N-O 2.91Å; D43-I47 PolarHBondContact OD1-N 3.44Å; D43-I47 WeakPolarHBondContact OD2-CB 3.21Å; F45-I47 HydrophobicContact CB-CD1 4.43Å; F45-I47 HydrophobicContact CB-CG1 4.26Å; I47-Y49 HydrophobicContact CB-CE2 3.71Å; I47-Y49 HydrophobicContact CG2-CD2 4.28Å; I47-Y49 HydrophobicContact CG2-CE1 4.25Å; I47-Y49 HydrophobicContact CG2-CE2 3.63Å; I47-Y49 WeakPolarHBondContact O-CD2 3.36Å; I47-Y49 WeakPolarHBondContact O-CE2 3.35Å
48E42.8Very low41.1Very low136 Ų136104.9 Ų104.964%0.63652%0.517SS*.EExtended strand (participates in β ladder)trans-89.8115177.5-56.3-175.1171.500108.8L40 F41 V42L40-E48 HydrophobicContact CD1-CB 4.4Å; F41-E48 CarbonylContact O-C 3.58Å; F41-E48 WeakPolarHBondContact O-CA 3.46Å; V42-E48 HydrophobicContact CG2-CG 4.14Å
49Y38.5Very low40.4Very low103 Ų103105.1 Ų105.140%0.40452%0.515SS..EExtended strand (participates in β ladder)trans-98.9124.9171.5-59.2-92.6000108L40 F41 D43 I47L40-Y49 CarbonylContact C-O 3.42Å; L40-Y49 WeakPolarHBondContact CA-O 3.49Å; F41-Y49 PolarHBondContact N-O 3.17Å; F41-Y49 PolarHBondContact O-N 3.11Å; D43-Y49 HydrophobicContact CB-CD2 4.33Å; D43-Y49 HydrophobicContact CB-CE2 3.65Å; D43-Y49 PolarHBondContact OD2-OH 2.95Å; I47-Y49 HydrophobicContact CB-CE2 3.71Å; I47-Y49 HydrophobicContact CG2-CD2 4.28Å; I47-Y49 HydrophobicContact CG2-CE1 4.25Å; I47-Y49 HydrophobicContact CG2-CE2 3.63Å; I47-Y49 WeakPolarHBondContact O-CD2 3.36Å; I47-Y49 WeakPolarHBondContact O-CE2 3.35Å
50M39.6Very low39.4Very low146 Ų146107.8 Ų107.872%0.71953%0.532SS*.EExtended strand (participates in β ladder)trans-108.8116.8169.3-171.8175.664.500107.9N39 L40N39-M50 WeakPolarHBondContact O-CA 3.42Å; L40-M50 HydrophobicContact CD1-CB 4.19Å
51F44.8Very low38.9Very low89 Ų89107.4 Ų107.439%0.3953%0.534SS..  trans-89.4122.9173.9-63.1-84.9000109.4N39 F41 E53 I62N39-F51 WeakPolarHBondContact CB-O 3.47Å; N39-F51 VanDerWaalsContact CG-O 3.27Å; N39-F51 PolarHBondContact ND2-O 3.2Å; N39-F51 PolarHBondContact O-N 3.05Å; F41-F51 HydrophobicContact CB-CE2 4.25Å; F41-F51 AromaticContact CD2-CD2 3.29Å; F41-F51 HydrophobicContact CD2-CD2 3.29Å; F41-F51 AromaticContact CD2-CE2 3.47Å; F41-F51 HydrophobicContact CD2-CE2 3.47Å; F41-F51 VanDerWaalsContact CD2-CE2 3.47Å; F41-F51 AromaticContact CE2-CD2 3.5Å; F41-F51 HydrophobicContact CE2-CD2 3.5Å; F41-F51 VanDerWaalsContact CE2-CD2 3.5Å; F41-F51 AromaticContact CE2-CE2 3.96Å; F41-F51 HydrophobicContact CE2-CE2 3.96Å; F41-F51 HydrophobicContact CG-CD2 4.24Å; F41-F51 AromaticContact CG-CE2 3.97Å; F41-F51 HydrophobicContact CG-CE2 3.97Å; F51-E53 PolarHBondContact O-N 3.5Å; F51-I62 HydrophobicContact CE1-CD1 4.21Å
52Y38.4Very low38.1Very low123 Ų123106.1 Ų106.148%0.48253%0.531SS..  trans-84.4108.4166.3-179.3-99.1000107.1D54 L316Y52-D54 HydrophobicContact CD1-CB 4.06Å; Y52-D54 HydrophobicContact CE1-CB 3.77Å; Y52-D54 PolarHBondContact O-N 2.91Å; Y52-L316 HydrophobicContact CE2-CD1 4.34Å; Y52-L316 WeakPolarHBondContact OH-CD1 3.37Å
53E40.1Very low37.5Very low134 Ų134109.4 Ų109.463%0.62654%0.54SS*.  trans-7998.2169.3-168.2168.4-159.800106.4F51 P55F51-E53 PolarHBondContact O-N 3.5Å; E53-P55 WeakPolarHBondContact O-CD 3.46Å
54D34.9Very low36.5Very low59 Ų59112.1 Ų112.132%0.31655%0.553SS.*  trans-65.7120.9170.4-171.7-7.6000107.7Y52 M56Y52-D54 HydrophobicContact CD1-CB 4.06Å; Y52-D54 HydrophobicContact CE1-CB 3.77Å; Y52-D54 PolarHBondContact O-N 2.91Å; D54-M56 CarbonylContact O-C 3.58Å; D54-M56 PolarHBondContact O-N 3.18Å; D54-M56 VanDerWaalsContact O-O 3.09Å; D54-M56 WeakPolarHBondContact OD1-CB 3.44Å; D54-M56 WeakPolarHBondContact OD1-CG 3.28Å; D54-M56 PolarHBondContact OD1-N 2.94Å
55P39.7Very low35.3Very low111 Ų111110 Ų11072%0.72155%0.552SS**SBendtrans-61.4-8.9173.723.9-32000112.8E53E53-P55 WeakPolarHBondContact O-CD 3.46Å
56M33.2Very low34.8Very low90 Ų90109 Ų10944%0.44355%0.554SS.*SBendtrans-80.6119.8164.9-60.9-87.6-81.900109.9D54 Y58 L458D54-M56 CarbonylContact O-C 3.58Å; D54-M56 PolarHBondContact O-N 3.18Å; D54-M56 VanDerWaalsContact O-O 3.09Å; D54-M56 WeakPolarHBondContact OD1-CB 3.44Å; D54-M56 WeakPolarHBondContact OD1-CG 3.28Å; D54-M56 PolarHBondContact OD1-N 2.94Å; M56-Y58 VanDerWaalsContact C-N 3.25Å; M56-Y58 HydrophobicContact CB-CD2 3.99Å; M56-Y58 HydrophobicContact CB-CE2 3.6Å; M56-Y58 WeakPolarHBondContact O-CD2 3.35Å; M56-Y58 PolarHBondContact O-N 3.31Å; M56-L458 HydrophobicContact CE-CD1 4.34Å
57R35.6Very low34.2Very low165 Ų165111.3 Ų111.362%0.62356%0.561SS**  trans-51.354.5-173-66.5177.2172.8-159.93.1117.6W482R57-W482 HydrophobicContact CB-CE3 4.06Å; R57-W482 HydrophobicContact CB-CH2 4.14Å; R57-W482 HydrophobicContact CB-CZ3 3.33Å; R57-W482 HydrophobicContact CG-CZ3 4.4Å; R57-W482 WeakPolarHBondContact O-CH2 3.26Å; R57-W482 VanDerWaalsContact O-CZ3 3.25Å; R57-W482 WeakPolarHBondContact O-CZ3 2.98Å
58Y29.7Very low33.8Very low135 Ų135113.2 Ų113.253%0.52958%0.579SS.*  trans-91.6132.2174.7-61.7-73.7000111.6M56 V60 W482M56-Y58 VanDerWaalsContact C-N 3.25Å; M56-Y58 HydrophobicContact CB-CD2 3.99Å; M56-Y58 HydrophobicContact CB-CE2 3.6Å; M56-Y58 WeakPolarHBondContact O-CD2 3.35Å; M56-Y58 PolarHBondContact O-N 3.31Å; Y58-V60 PolarHBondContact O-N 2.88Å; Y58-W482 HydrophobicContact CD1-CH2 4.17Å; Y58-W482 HydrophobicContact CD1-CZ2 4.31Å; Y58-W482 HydrophobicContact CE1-CH2 4.09Å; Y58-W482 AromaticContact CE1-CZ2 3.81Å; Y58-W482 HydrophobicContact CE1-CZ2 3.81Å
59T31Very low33.1Very low97 Ų97112.6 Ų112.660%0.59559%0.585SS**  trans-79.2107167.8-16.20000107.4T61T59-T61 PolarHBondContact O-N 3.13Å
60V29.1Very low32.7Very low99 Ų99116 Ų11660%0.660%0.604SS**  trans-71.9109.5171.2-178.70000107.5Y58 I62Y58-V60 PolarHBondContact O-N 2.88Å; V60-I62 HydrophobicContact CG1-CD1 4.5Å; V60-I62 HydrophobicContact CG1-CG1 3.97Å
61T29Very low32.2Very low85 Ų85117.9 Ų117.952%0.52161%0.611SS.*  trans-94.3119.5172.7-45.10000107.4T59 V96T59-T61 PolarHBondContact O-N 3.13Å; T61-V96 HydrophobicContact CG2-CG1 4.32Å
62I30.9Very low31.5Very low70 Ų70120 Ų12036%0.35963%0.632SS.*  trans-105.6112.1176.8-55.1175.9000107F51 V60 I64F51-I62 HydrophobicContact CE1-CD1 4.21Å; V60-I62 HydrophobicContact CG1-CD1 4.5Å; V60-I62 HydrophobicContact CG1-CG1 3.97Å; I62-I64 HydrophobicContact CG2-CG1 4.08Å
63E27.9Very low31.2Very low157 Ų157122.9 Ų122.973%0.73465%0.65SS**  trans-86.9111167.6-72.2-177.3168.400108.5
64I30Very low30.8Very low97 Ų97123.6 Ų123.650%0.49766%0.658SS.*  trans-90.9107168.8-57.3176.1000106.6I62 D66I62-I64 HydrophobicContact CG2-CG1 4.08Å; I64-D66 VanDerWaalsContact C-N 3.35Å; I64-D66 HydrophobicContact CG2-CB 4.48Å; I64-D66 PolarHBondContact O-N 3.45Å
65V28.2Very low30.5Very low117 Ų117125.2 Ų125.271%0.70968%0.679SS**  trans-84.880.4173.2-174.60000107.9
66D32.1Very low30.1Very low140 Ų140125.7 Ų125.775%0.74968%0.68SS**  trans-83.3121.2171.2-91.9-20.2000109.8I64I64-D66 VanDerWaalsContact C-N 3.35Å; I64-D66 HydrophobicContact CG2-CB 4.48Å; I64-D66 PolarHBondContact O-N 3.45Å
67S25.5Very low30.1Very low99 Ų99124.8 Ų124.869%0.69268%0.681SS**  trans-66.7143.4172.9-34.70000109.6T69S67-T69 PolarHBondContact O-N 3.13Å; S67-T69 VanDerWaalsContact O-N 3.09Å
68P27.9Very low30Very low125 Ų125122.9 Ų122.981%0.81268%0.682SS**  trans-75.1109.2-173.730.1-32000109.9
69T29Very low30.1Very low124 Ų124123.4 Ų123.476%0.76169%0.694SS**  trans-147.7101.6156.5-400000110.5S67S67-T69 PolarHBondContact O-N 3.13Å; S67-T69 VanDerWaalsContact O-N 3.09Å
70E29.6Very low30.2Very low174 Ų174124.3 Ų124.381%0.81370%0.695SS**SBendtrans38.8119.2153.9-52.3-147.9153.400120
71E29.7Very low30.3Very low185 Ų185120.7 Ų120.786%0.86467%0.673SS**  trans75.569.2157.2-49.6-152164.700118.6
72T30.8Very low30.4Very low133 Ų133120.8 Ų120.882%0.81667%0.673SS**  trans-133.263158.5360000112.1N74T72-N74 PolarHBondContact O-N 2.92Å; T72-N74 VanDerWaalsContact O-N 3.11Å
73E31.5Very low30.4Very low185 Ų185121.7 Ų121.786%0.86468%0.678SS**THydrogen-bonded Turntrans-57.2109143.8-86.1-172.2147.400106.3
74N30.8Very low30.7Very low149 Ų149121.4 Ų121.480%0.79768%0.675SS**THydrogen-bonded Turntrans142.434.8160.9-68.7-45.2000114.9T72 V76T72-N74 PolarHBondContact O-N 2.92Å; T72-N74 VanDerWaalsContact O-N 3.11Å; N74-V76 PolarHBondContact O-N 3.33Å
75A30.3Very low30.8Very low92 Ų92124.2 Ų124.276%0.7669%0.686SS**  trans-71.697.1161.200000109.4
76V30.9Very low31.1Very low122 Ų122121.6 Ų121.674%0.73967%0.67SS**  trans-85.8119.5179.8179.20000109.3N74 L78N74-V76 PolarHBondContact O-N 3.33Å; V76-L78 PolarHBondContact O-N 3.17Å
77P32.6Very low31.1Very low71 Ų71118.8 Ų118.846%0.46167%0.666SS.*  trans-65.8127.6179.223.3-30.2000111.2T81 L83P77-T81 WeakPolarHBondContact CB-OG1 3.45Å; P77-L83 HydrophobicContact CB-CD1 3.99Å; P77-L83 HydrophobicContact CB-CG 4.34Å; P77-L83 HydrophobicContact CG-CD1 4.04Å
78L33.5Very low31.4Very low124 Ų124121.7 Ų121.765%0.64967%0.669SS**  trans-91.4114.9175-16076000108.5V76 T81V76-L78 PolarHBondContact O-N 3.17Å; L78-T81 PolarHBondContact O-OG1 3.11Å
79L30.9Very low31.7Very low147 Ų147123.1 Ų123.177%0.7767%0.67SS**SBendtrans45116.3171.4-79.786.8000118.6T81L79-T81 PolarHBondContact O-N 2.9Å
80D35Very low31.8Very low116 Ų116121.1 Ų121.162%0.6267%0.674SS**SBendtrans44.426.3172.1-10018.7000116.7
81T30.7Very low31.9Very low23 Ų23120.3 Ų120.314%0.14168%0.675CS.*EExtended strand (participates in β ladder)trans-88.8121.6173.835.90000109.1P77 L78 L79 L97 T98 T99P77-T81 WeakPolarHBondContact CB-OG1 3.45Å; L78-T81 PolarHBondContact O-OG1 3.11Å; L79-T81 PolarHBondContact O-N 2.9Å; T81-L97 HydrophobicContact CG2-CD2 4.47Å; T81-T98 WeakPolarHBondContact CA-O 3.33Å; T81-T99 HydrophobicContact CG2-CG2 3.87Å
82T31.4Very low31.7Very low86 Ų86117.7 Ų117.753%0.52867%0.666SS.*EExtended strand (participates in β ladder)trans-91.8109.8167.923.60000107.8K84 T98T82-K84 PolarHBondContact O-N 3.3Å; T82-T98 PolarHBondContact N-O 3.21Å; T82-T98 PolarHBondContact OG1-OG1 2.96Å
83L30.4Very low31.5Very low90 Ų90116.1 Ų116.147%0.47166%0.656SS.*EExtended strand (participates in β ladder)trans-73.2111.9168.7-65.6168000107.3P77 V95P77-L83 HydrophobicContact CB-CD1 3.99Å; P77-L83 HydrophobicContact CB-CG 4.34Å; P77-L83 HydrophobicContact CG-CD1 4.04Å; L83-V95 HydrophobicContact CD2-CG1 3.48Å; L83-V95 VanDerWaalsContact CD2-CG1 3.48Å
84K34.9Very low31.2Very low150 Ų150109.2 Ų109.265%0.65263%0.631SS**EExtended strand (participates in β ladder)trans-104.4110.2162.4-77.7-175178.5176.40107.5T82 V86T82-K84 PolarHBondContact O-N 3.3Å; K84-V86 PolarHBondContact O-N 2.93Å
85E31.1Very low31Very low156 Ų156105.2 Ų105.273%0.72961%0.612SS**EExtended strand (participates in β ladder)trans-66.5115.4164.8-172.5178.4-179.800107.3
86V34.1Very low30.9Very low62 Ų62103.1 Ų103.138%0.37659%0.59SS.*EExtended strand (participates in β ladder)trans-101.5100170.5-178.10000106K84 E88 V96K84-V86 PolarHBondContact O-N 2.93Å; V86-E88 HydrophobicContact CG1-CG 4.28Å; V86-V96 HydrophobicContact CG2-CG2 4.22Å
87A31.9Very low30.9Very low82 Ų82100.2 Ų100.268%0.67857%0.57SS**EExtended strand (participates in β ladder)trans-92.193.117000000108.1
88E32.1Very low30.7Very low160 Ų16099.4 Ų99.475%0.74856%0.563SS**  trans-115118162.2-75.7-170.2162.300107.2V86V86-E88 HydrophobicContact CG1-CG 4.28Å
89D34.3Very low30.5Very low155 Ų15597.9 Ų97.983%0.82956%0.56SS**SBendtrans54.487.1174.6-72.9-19000117.9D91D89-D91 VanDerWaalsContact C-N 3.29Å; D89-D91 PolarHBondContact O-N 3.39Å
90G31.5Very low30.4Very low82 Ų8298.4 Ų98.485%0.84556%0.556SS**SBendtrans76.4-39.5130.500000119.6
91D32.7Very low30.2Very low156 Ų15698.3 Ų98.383%0.83456%0.559SS**SBendtrans-142.2-0.5-166.9-73.8-42.2000114.2D89D89-D91 VanDerWaalsContact C-N 3.29Å; D89-D91 PolarHBondContact O-N 3.39Å
92L24.9Very low30.1Very low130 Ų130101.1 Ų101.168%0.68158%0.58SS**  trans-135.2114.2-175.7-75.7150.6000111.3
93T25.3Very low30Very low100 Ų100103.8 Ų103.861%0.61359%0.589SS**EExtended strand (participates in β ladder)trans-94.2103.6167.4410000109.5
94A25.2Very low29.8Very low41 Ų41106.6 Ų106.634%0.33961%0.605SS.*EExtended strand (participates in β ladder)trans-82.8125.4168.500000109.9
95V27.8Very low29.5Very low64 Ų64104.6 Ų104.639%0.38861%0.606SS.*EExtended strand (participates in β ladder)trans-100105171.8-179.50000108.5L83 L97L83-V95 HydrophobicContact CD2-CG1 3.48Å; L83-V95 VanDerWaalsContact CD2-CG1 3.48Å; V95-L97 HydrophobicContact CG1-CD1 4.33Å; V95-L97 PolarHBondContact O-N 2.96Å
96V28.1Very low29.1Very low49 Ų49103.8 Ų103.830%0.29761%0.611SS.*EExtended strand (participates in β ladder)trans-82.4113.5175.1-175.60000109T61 V86 T98T61-V96 HydrophobicContact CG2-CG1 4.32Å; V86-V96 HydrophobicContact CG2-CG2 4.22Å; V96-T98 HydrophobicContact CG1-CG2 3.99Å
97L29.8Very low28.7Very low60 Ų60108.3 Ų108.331%0.31463%0.633SS.*EExtended strand (participates in β ladder)trans-85.6114.3167.5-75.998.3000109.9T81 V95T81-L97 HydrophobicContact CG2-CD2 4.47Å; V95-L97 HydrophobicContact CG1-CD1 4.33Å; V95-L97 PolarHBondContact O-N 2.96Å
98T29.4Very low28.3Very low54 Ų54115.6 Ų115.633%0.33164%0.643SS.*EExtended strand (participates in β ladder)trans-115.6120.6165.757.90000109.8T81 T82 V96T81-T98 WeakPolarHBondContact CA-O 3.33Å; T82-T98 PolarHBondContact N-O 3.21Å; T82-T98 PolarHBondContact OG1-OG1 2.96Å; V96-T98 HydrophobicContact CG1-CG2 3.99Å
99T29.1Very low28Very low93 Ų93114.4 Ų114.457%0.57165%0.646SS**EExtended strand (participates in β ladder)trans-88.7127.9169.444.30000109.8T81T81-T99 HydrophobicContact CG2-CG2 3.87Å
100K29.7Very low27.5Very low158 Ų158112.8 Ų112.869%0.68764%0.637SS**  trans-91.2105.1173.8-170.3-178.4178.9-174.40109.1S102K100-S102 PolarHBondContact O-N 3.3Å
101T29.3Very low27.3Very low113 Ų113113.9 Ų113.969%0.69362%0.624SS**  trans-76.4105.316852.80000109I103T101-I103 PolarHBondContact O-N 3.29Å
102S28.2Very low26.9Very low82 Ų82111 Ų11157%0.57361%0.614SS**  trans-77.9112.7170.6162.40000109.5K100K100-S102 PolarHBondContact O-N 3.3Å
103I31Very low26.8Very low142 Ų142108.8 Ų108.873%0.72861%0.614SS**  trans-110.1101.5154.9-64.1173.7000106.2T101 T105T101-I103 PolarHBondContact O-N 3.29Å; I103-T105 HydrophobicContact CG2-CG2 4.31Å; I103-T105 PolarHBondContact O-N 3.17Å; I103-T105 VanDerWaalsContact O-N 3.13Å
104D25.1Very low26.9Very low149 Ų149112.3 Ų112.380%0.79763%0.628SS**  trans-69.593.7164.9-98-21.3000108.7
105T28.5Very low26.8Very low109 Ų109116.2 Ų116.267%0.66965%0.648SS**  trans-129.796.6157.340.20000109.2I103 L107I103-T105 HydrophobicContact CG2-CG2 4.31Å; I103-T105 PolarHBondContact O-N 3.17Å; I103-T105 VanDerWaalsContact O-N 3.13Å; T105-L107 PolarHBondContact O-N 3.08Å; T105-L107 VanDerWaalsContact O-N 3.11Å
106T22.6Very low26.9Very low138 Ų138121 Ų12185%0.84767%0.67SS**  trans-65.898.5164.448.50000109.5
107L25.8Very low26.7Very low158 Ų158123 Ų12383%0.82769%0.686SS**  trans-129.7101161.2-87.1165.8000108.7T105T105-L107 PolarHBondContact O-N 3.08Å; T105-L107 VanDerWaalsContact O-N 3.11Å
108R24.1Very low26.5Very low234 Ų234127.6 Ų127.688%0.88371%0.711SS**  trans-71.6124162.3-79.2-174.1163.9-168.5-5.5108.2
109V26.5Very low26.4Very low135 Ų135129.4 Ų129.482%0.81873%0.731SS**  trans-145.6121.6144-174.80000108.9
110D22.8Very low26.3Very low121 Ų121133.2 Ų133.265%0.64774%0.743SS**  trans-68.9129.9175.6-57.1-76.8000112.6R293D110-R293 PolarHBondContact O-NH2 2.92Å; D110-R293 VanDerWaalsContact O-NH2 3.09Å
111D26.9Very low26.1Very low105 Ų105130.9 Ų130.956%0.56174%0.744SS**  trans-177.9130.6133.9-94.8-27.9000114.8R293D111-R293 VanDerWaalsContact CG-NH2 3.34Å; D111-R293 WeakPolarHBondContact OD1-CD 3.48Å; D111-R293 IonicContact OD1-CZ 2.78Å; D111-R293 IonicContact OD1-NE 2.88Å; D111-R293 PolarHBondContact OD1-NE 3.25Å; D111-R293 IonicContact OD1-NH1 3.02Å; D111-R293 PolarHBondContact OD1-NH1 3.4Å; D111-R293 IonicContact OD1-NH2 3.22Å; D111-R293 PolarHBondContact OD1-NH2 3.02Å; D111-R293 IonicContact OD2-CZ 2.98Å; D111-R293 IonicContact OD2-NE 3.89Å; D111-R293 IonicContact OD2-NH1 2.57Å; D111-R293 PolarHBondContact OD2-NH1 3.23Å; D111-R293 IonicContact OD2-NH2 3.08Å; D111-R293 PolarHBondContact OD2-NH2 3.43Å; D111-R293 VanDerWaalsContact OD2-NH2 3.08Å
112P25.6Very low26.2Very low96 Ų96133.5 Ų133.562%0.62375%0.752SS**  trans-105.7162.5177.938.7-30.4000114.3
113A22.9Very low26.2Very low84 Ų84136.4 Ų136.469%0.69476%0.761SS**  trans93.7109.7150.500000119.4
114L26Very low26Very low173 Ų173134.2 Ų134.291%0.90676%0.758SS**  trans-138.897.9131.6-86173.7000108.8
115T23.2Very low26.1Very low124 Ų124134.8 Ų134.876%0.76176%0.758SS**  trans-88.7126.9158.737.90000108.3
116I29.5Very low26.3Very low164 Ų164137.5 Ų137.584%0.84176%0.763SS**  trans-129.1104.1152.7-52.1177.6000106.1
117S24.2Very low26.7Very low92 Ų92138 Ų13864%0.64376%0.76SS**  trans-73.6154.4161.7-58.40000109.7
118D26.9Very low27Very low155 Ų155136 Ų13683%0.82976%0.756SS**  trans132.199.6156.1-68.1-11.9000109.5
119A26.6Very low27.2Very low92 Ų92130 Ų13076%0.7675%0.75SS**  75.2131.293.100000111.4
120Q26.3Very low27.6Very low174 Ų174132.8 Ų132.881%0.81375%0.754SS**  cis-166.8164.13.7-102.7-110.9-29.800105.3
121P25.8Very low28.1Very low109 Ų109135 Ų13571%0.70876%0.761SS**  trans-83.3142.9-17834.5-30.1000110.8
122I31.4Very low28.5Very low168 Ų168141.3 Ų141.386%0.86278%0.777SS**  trans-133.8121.2169-53.5178000110.7
123D28.3Very low28.8Very low143 Ų143143.1 Ų143.177%0.76578%0.781SS**  trans-57.2148.6170.7-103.6-50.1000114.7
124S27.5Very low29.5Very low96 Ų96146.8 Ų146.867%0.67179%0.787SS**  trans11.3126.1139.4-43.70000118.7
125M27.7Very low29.9Very low160 Ų160144.9 Ų144.979%0.78878%0.778SS**  156.7141116.5-81.7-83.2-8100112.3
126H31.4Very low30.3Very low167 Ų167144.6 Ų144.677%0.77378%0.776SS**  trans87.1102.1153.6-96.1-59.7000121.7
127L32Very low30.6Very low149 Ų149141.2 Ų141.278%0.7877%0.773SS**  trans-70.4159.5144.5-65.4170.2000110.5
128P30.7Very low31Very low115 Ų115143.5 Ų143.575%0.74778%0.778SS**  -141.3137.392.829.7-10.4000113.7
129S28.9Very low31.4Very low109 Ų109143 Ų14376%0.76278%0.78SS**  58.7111.699-50.20000116.2
130E35Very low31.6Very low193 Ų193145.5 Ų145.590%0.90278%0.781SS**  trans-154.5126133.8-133.2178150.200111.1
131E33.4Very low32.1Very low168 Ų168145 Ų14579%0.78578%0.783SS**  trans-73157.9-179.4-62160.8139.300112
132R35.9Very low32.3Very low237 Ų237146.8 Ų146.889%0.89479%0.786SS**  -172.5126.5120.3-101.6175.3-165170.39.3113
133D32.3Very low32.5Very low134 Ų134144.4 Ų144.472%0.71779%0.785SS**  trans-60.4165.6173.8-56.7-61.6000114.5
134I37.6Very low32.6Very low161 Ų161141.7 Ų141.783%0.82678%0.783SS**  -175104.1120-82.6147.2000109
135D34Very low32.9Very low132 Ų132144.2 Ų144.271%0.70679%0.788SS**  38.1119.9128.9-67.5-44.3000124.2
136T30.6Very low33Very low118 Ų118143.1 Ų143.172%0.72479%0.786SS**  66.6118.7109.8-45.60000120.2
137A35.8Very low33Very low93 Ų93142.6 Ų142.677%0.76979%0.787SS**  174.7141.6116.300000113.4
138D33.1Very low32.9Very low141 Ų141144.5 Ų144.575%0.75478%0.784SS**  trans-59.2156.8-178.6-52.3-70.8000115.7
139T35.7Very low32.7Very low143 Ų143145.7 Ų145.788%0.87778%0.779SS**  -173.2119.5126.418.90000112
140D31Very low32.6Very low145 Ų145145.7 Ų145.778%0.77578%0.778SS**  trans-54.2153.9159.4-57.7-61.4000112.2
141L36.5Very low32.1Very low164 Ų164141.6 Ų141.686%0.85977%0.771SS**  172.2131.9123-90.3157.9000113.6
142D30.5Very low31.9Very low146 Ų146138 Ų13878%0.78177%0.77SS**  trans-30145.7163.3-70.7-52.9000117.5
143S35.7Very low31.3Very low119 Ų119131 Ų13183%0.83276%0.763SS**  -173120.6120.6270000113.1
144A29.8Very low31.4Very low86 Ų86129.9 Ų129.971%0.71176%0.763SS**  trans-60.9148.8162.700000112.3
145N32.8Very low30.8Very low149 Ų149130 Ų13080%0.79776%0.764SS**  trans173.8114131.3-91.9-13.3000108
146D29.9Very low30.4Very low136 Ų136131.1 Ų131.173%0.72777%0.769SS**  108.5154.468.4-145.9-4.9000108.2
147I32.8Very low30.3Very low156 Ų156130.2 Ų130.280%0.877%0.773SS**  trans93.2126.7172.7-50.7161.9000115.2
148R28.1Very low29.8Very low189 Ų189130.7 Ų130.771%0.71377%0.771SS**  cis173.9141-22.7-146.9176.3164.1145.4-5.2105.6
149E27.8Very low29.4Very low140 Ų140129.7 Ų129.765%0.65477%0.77SS**  trans57.1138146.1-77.4160.6-17400118.6
150C26.7Very low29Very low109 Ų109131.3 Ų131.374%0.73677%0.767SS**  cis-167.4153.120.2-120.70000109.7
151S24.5Very low28.9Very low107 Ų107132.4 Ų132.475%0.74877%0.772SS**  trans-28.1151.715863.10000115.3
152A28.2Very low28.6Very low93 Ų93130.4 Ų130.477%0.76977%0.769SS**  cis-175.3147.648.400000110.2
153A24.9Very low28.5Very low90 Ų90129 Ų12974%0.74477%0.77SS**  trans-76.5-177.7151.700000109.2
154P32.7Very low28.5Very low111 Ų111130.7 Ų130.772%0.72177%0.765SS**  cis-129.4-175.7-14.634.3-14.3000111.1
155L26.4Very low28.6Very low162 Ų162134.3 Ų134.385%0.84877%0.768SS**  trans170.7144.5132.6-91.8161.4000114.4
156I25.4Very low28.9Very low157 Ų157137.5 Ų137.581%0.80577%0.768SS**  trans-81.3138.3-178.4-58.1150.6000109.4
157A27.3Very low29Very low98 Ų98137 Ų13781%0.8177%0.765SS**  trans-163.6113.6151.900000112.3
158S25.4Very low28.9Very low103 Ų103136.2 Ų136.272%0.7276%0.761SS**  trans-49.5151.8157.4-53.50000111.5
159T25.2Very low29.2Very low121 Ų121136.4 Ų136.474%0.74277%0.771SS**  172.1139.1123.330.20000114.9
160H27.6Very low29.2Very low177 Ų177135.7 Ų135.782%0.81978%0.776SS**  trans74114.3142.7-68.5-62.3000122.3
161L29.4Very low29.5Very low167 Ų167135.2 Ų135.287%0.87478%0.78SS**  trans-52.8166.3155.9-67.4163.8000112.5
162P30.1Very low29.8Very low123 Ų123137.2 Ų137.280%0.79978%0.782SS**  -127134.7129.633.9-22.4000112.8
163S28.3Very low30Very low115 Ų115139.4 Ų139.480%0.80479%0.786SS**  trans-58.9137.6157.744.60000112
164E36.4Very low30.3Very low156 Ų156141.9 Ų141.973%0.72979%0.787SS**  trans-133.9117.4151.2-154.3176.4149.400109.5R166E164-R166 IonicContact OE1-CZ 3.98Å; E164-R166 IonicContact OE1-NH1 2.94Å; E164-R166 IonicContact OE1-NH2 2.76Å; E164-R166 PolarHBondContact OE1-NH2 3.47Å
165E30.9Very low30.5Very low162 Ų162142.2 Ų142.276%0.75779%0.792SS**  trans-88.8129.2179.8-173.2173.8-163.500107
166R38.2Very low30.6Very low216 Ų216141.9 Ų141.982%0.81579%0.791SS**  trans-140.5124.4158.8-79.5-151179.3103.224.4111.6E164E164-R166 IonicContact OE1-CZ 3.98Å; E164-R166 IonicContact OE1-NH1 2.94Å; E164-R166 IonicContact OE1-NH2 2.76Å; E164-R166 PolarHBondContact OE1-NH2 3.47Å
167D33.7Very low31Very low124 Ų124139.9 Ų139.966%0.66379%0.791SS**  trans-71.1146.3-174.5-70.1-59.1000115.3
168I29Very low31.1Very low140 Ų140139.1 Ų139.172%0.71878%0.784SS**  45.3115129.9-48.7165000118.2
169E34.2Very low31.3Very low194 Ų194141.2 Ų141.291%0.90779%0.787SS**  -152.8112.1124.7-122.5176.6-174.700111.8
170T28Very low31.4Very low124 Ų124142.1 Ų142.176%0.76179%0.788SS**  trans-65.5131.3163.834.10000110.5
171A33Very low31.7Very low99 Ų99142 Ų14282%0.81879%0.792SS**  trans-139.7106.715700000109.1
172D31.1Very low31.6Very low149 Ų149143.6 Ų143.680%0.79779%0.786SS**  trans-54134.8165.8-60.1-56000110.6
173T33.8Very low31.5Very low139 Ų139145 Ų14585%0.85378%0.782SS**  trans-152.1110136.8-30.70000110.5
174D31.3Very low31.5Very low142 Ų142145.6 Ų145.676%0.75979%0.785SS**  trans-45.8136.2163-69.9-55.2000112.7
175S35.9Very low31.1Very low118 Ų118144 Ų14483%0.82579%0.791SS**  trans-162.795.9135.712.30000110.9
176N28.8Very low31Very low155 Ų155140.6 Ų140.683%0.82979%0.79SS**  trans-45.4135.6161.9-77.9-41.6000113
177S33.3Very low30.6Very low116 Ų116133.4 Ų133.481%0.81177%0.771SS**  -168.6104121.346.60000112.8
178A28.6Very low30.7Very low81 Ų81134.3 Ų134.367%0.66978%0.776SS**  44.9109.8127.500000119.7
179N31Very low31.1Very low147 Ų147134.2 Ų134.279%0.78678%0.775SS**  178.1116.4100.1-88.7-24000112.5
180D26.7Very low31.2Very low140 Ų140131.2 Ų131.275%0.74976%0.761SS**  trans38.689.9135.7-69-26.4000119.6
181I34.6Very low31.6Very low176 Ų176131 Ų13190%0.90376%0.755SS**  -138.1105.4129-57.6-175.4000107.9
182R27.5Very low31.7Very low200 Ų200132.8 Ų132.876%0.75575%0.75SS**  trans-91.3139.8-178.3-171.1178.4173.9155.73.5108.7
183E28.2Very low32.1Very low152 Ų152132.5 Ų132.571%0.7174%0.743SS**  trans83.2134.8156.8-77155.1-153.100120.6
184C26.7Very low32Very low128 Ų128128.7 Ų128.787%0.86573%0.726SS**  trans95.451.8164.2-56.40000119.5
185S27.9Very low32.2Very low123 Ų123127.9 Ų127.986%0.8673%0.726SS**  trans-115.773.2156.763.90000111.7
186A28.8Very low32.3Very low90 Ų90126.3 Ų126.374%0.74472%0.72SS**  trans168.5138.3159.900000106.9
187P31.3Very low32.6Very low64 Ų64127.6 Ų127.642%0.41672%0.719SS.*  cis-139.2102.119.430.9-6.3000113.5I189 E190P187-I189 PolarHBondContact O-N 3.46Å; P187-E190 HydrophobicContact CB-CB 3.9Å; P187-E190 HydrophobicContact CB-CG 4.04Å; P187-E190 HydrophobicContact CG-CB 3.9Å; P187-E190 HydrophobicContact CG-CG 4.2Å; P187-E190 WeakPolarHBondContact CG-OE2 3.31Å; P187-E190 PolarHBondContact O-N 2.97Å
188L34.6Very low32.3Very low144 Ų144125 Ų12575%0.75471%0.71SS**Hα-helixtrans-65.7-18.9169.8-151.893.7000112
189I37.4Very low32.6Very low138 Ų138129.2 Ų129.271%0.70872%0.721SS**Hα-helixtrans-81.4-26.7179.2-62.9173.6000111.9P187P187-I189 PolarHBondContact O-N 3.46Å
190E37.5Very low32.7Very low130 Ų130134 Ų13461%0.60773%0.729SS**Hα-helixtrans-79.3-25.9171.4-80-172.8134.900112.6P187 L192 Q193 A194P187-E190 HydrophobicContact CB-CB 3.9Å; P187-E190 HydrophobicContact CB-CG 4.04Å; P187-E190 HydrophobicContact CG-CB 3.9Å; P187-E190 HydrophobicContact CG-CG 4.2Å; P187-E190 WeakPolarHBondContact CG-OE2 3.31Å; P187-E190 PolarHBondContact O-N 2.97Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 2.98Å; E190-Q193 PolarHBondContact O-N 3.45Å; E190-A194 VanDerWaalsContact O-CB 3.25Å; E190-A194 WeakPolarHBondContact O-CB 3.45Å; E190-A194 PolarHBondContact O-N 3.38Å
191L34.8Very low33.2Very low120 Ų120131.8 Ų131.863%0.62873%0.729SS**Hα-helixtrans-69.6-29.2178.2-145.882.4000112.2V195L191-V195 VanDerWaalsContact O-CG2 3.31Å; L191-V195 WeakPolarHBondContact O-CG2 3.45Å; L191-V195 PolarHBondContact O-N 3.46Å
192L36.9Very low33.1Very low137 Ų137133.2 Ų133.272%0.71773%0.729SS**Hα-helixtrans-79.6-21.3175.1-79.1161.5000113.4E190E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 2.98Å
193Q37.8Very low33.4Very low142 Ų142132.6 Ų132.666%0.66474%0.735SS**Hα-helixtrans-90.7-21.8171.3-73.3-177.4-6.300113.2E190E190-Q193 PolarHBondContact O-N 3.45Å
194A31.8Very low33.5Very low59 Ų59132 Ų13249%0.48874%0.742SS.*Hα-helixtrans-81.7-28.1176.800000113.8E190 A196 K197E190-A194 VanDerWaalsContact O-CB 3.25Å; E190-A194 WeakPolarHBondContact O-CB 3.45Å; E190-A194 PolarHBondContact O-N 3.38Å; A194-A196 PolarHBondContact O-N 3.49Å; A194-K197 CarbonylContact O-C 3.5Å; A194-K197 PolarHBondContact O-N 2.99Å; A194-K197 VanDerWaalsContact O-N 3.12Å
195V36.7Very low33.7Very low126 Ų126131.5 Ų131.576%0.76474%0.737SS**THydrogen-bonded Turntrans-71.4-19173.9174.80000112.1L191 K197L191-V195 VanDerWaalsContact O-CG2 3.31Å; L191-V195 WeakPolarHBondContact O-CG2 3.45Å; L191-V195 PolarHBondContact O-N 3.46Å; V195-K197 VanDerWaalsContact C-N 3.34Å
196A37.1Very low34Very low85 Ų85129.7 Ų129.770%0.70273%0.729SS**THydrogen-bonded Turntrans-83.1-4.3170.800000114.1A194A194-A196 PolarHBondContact O-N 3.49Å
197K34.7Very low34.3Very low182 Ų182132.7 Ų132.779%0.79174%0.738SS**SBendtrans-141.481.8-177-70.1-179.8-179.5172.60111.4A194 V195A194-K197 CarbonylContact O-C 3.5Å; A194-K197 PolarHBondContact O-N 2.99Å; A194-K197 VanDerWaalsContact O-N 3.12Å; V195-K197 VanDerWaalsContact C-N 3.34Å
198G28.5Very low34.3Very low62 Ų62133.2 Ų133.264%0.63976%0.755SS**  trans-178.3117.8170.600000116.2
199N34Very low34.5Very low168 Ų168131.9 Ų131.990%0.89876%0.757SS**  trans101.841.3166.3-51.1-15.4000117.1A201N199-A201 PolarHBondContact O-N 2.89Å
200R33.4Very low34.6Very low249 Ų249129.8 Ų129.894%0.9476%0.761SS**  trans-88.286.4149.4-151.4176.5-165173.44108.6K202R200-K202 PolarHBondContact O-N 2.99Å
201A36.5Very low34.8Very low92 Ų92128.5 Ų128.576%0.7677%0.772SS**  trans-64.9115.9170.100000109.4N199 E203N199-A201 PolarHBondContact O-N 2.89Å; A201-E203 PolarHBondContact O-N 3.09Å
202K32.4Very low35.6Very low206 Ų206132.5 Ų132.590%0.89679%0.785SS**SBendtrans21.587.2154.4-68.4179.3176.4177.20117.2R200R200-K202 PolarHBondContact O-N 2.99Å
203E34.3Very low36Very low188 Ų188130 Ų13088%0.87978%0.784SS**  trans-141.1101.6137.9-79.7-167.9157.800107.4A201A201-E203 PolarHBondContact O-N 3.09Å
204T30.8Very low36.8Very low140 Ų140129 Ų12986%0.85979%0.789SS**  trans-69.8134.3159.440.90000108
205P31.3Very low38.5Very low116 Ų116135.5 Ų135.575%0.75381%0.807SS**  -140.7140.4103.233.5-18.5000113.6
206A33.5Very low39.9Very low85 Ų85139.7 Ų139.770%0.70282%0.815SS**  trans35.9109.8140.200000118.7G208A206-G208 PolarHBondContact O-N 3.07Å
207V34.1Very low41.5Very low154 Ų154139.6 Ų139.693%0.93380%0.801SS**SBendtrans-13.5118.1139.8-178.80000113
208G33.2Very low43.5Very low74 Ų74133.9 Ų133.976%0.76378%0.784SS**  trans83.874.8163.200000115.9A206A206-G208 PolarHBondContact O-N 3.07Å
209S37.9Very low45.7Very low116 Ų116135.6 Ų135.681%0.81178%0.784SS**  trans-152.5128.5153.8-142.80000111A211S209-A211 PolarHBondContact O-N 2.94Å
210A38.9Very low48Very low95 Ų95135.4 Ų135.479%0.78578%0.777SS**  trans-49.8120.7179.800000110.6K212A210-K212 PolarHBondContact O-N 2.91Å
211A42.9Very low50.3Low102 Ų102126.1 Ų126.184%0.84375%0.75SS**  trans-57.5106.7174.100000108.4S209 A213S209-A211 PolarHBondContact O-N 2.94Å; A211-A213 PolarHBondContact O-N 3.48Å
212K51Low52.4Low205 Ų205125.9 Ų125.989%0.89174%0.736SS**PPolyproline II helixtrans-52125.7172.6-80.7177.8175.5173.30108A210A210-K212 PolarHBondContact O-N 2.91Å
213A46.2Very low54.8Low84 Ų84123.2 Ų123.269%0.69473%0.725SS**PPolyproline II helixtrans-47.1140.2175.500000110.4A211 K215A211-A213 PolarHBondContact O-N 3.48Å; A213-K215 PolarHBondContact O-N 3.17Å; A213-K215 VanDerWaalsContact O-N 3.09Å
214P53.6Low57.4Low121 Ų121121.6 Ų121.679%0.78672%0.715SS**PPolyproline II helixtrans-53.8122.1-179.620.7-30.8000109.1K216P214-K216 PolarHBondContact O-N 2.93Å
215K67.2Low60Low195 Ų195119.3 Ų119.385%0.84869%0.693SS**PPolyproline II helixtrans-52118.8174.8-80.9179.5176.9175.90107.5A213 M217A213-K215 PolarHBondContact O-N 3.17Å; A213-K215 VanDerWaalsContact O-N 3.09Å; K215-M217 PolarHBondContact O-N 3.12Å
216K67.1Low62.5Low214 Ų214117.4 Ų117.493%0.9368%0.676SS**  trans-55.9105.7174.9-65.7-171.8178.5-175.20107.7P214P214-K216 PolarHBondContact O-N 2.93Å
217M69.4Low65.2Low83 Ų83119.6 Ų119.641%0.40967%0.671SS.*  trans-74.2139.4174.2-61.5-174.461.700107.7K215 S221 K225K215-M217 PolarHBondContact O-N 3.12Å; M217-S221 WeakPolarHBondContact CE-OG 3.37Å; M217-K225 HydrophobicContact CE-CD 3.71Å; M217-K225 HydrophobicContact SD-CD 4.21Å
218S77.7Confident67.8Low63 Ų63118.3 Ų118.344%0.44166%0.655SS.*  trans-62.8150173.183.60000109.6Q220 S221 L222S218-Q220 PolarHBondContact O-N 3.37Å; S218-S221 WeakPolarHBondContact O-CA 3.47Å; S218-S221 WeakPolarHBondContact O-CB 3.46Å; S218-S221 PolarHBondContact O-N 2.96Å; S218-S221 PolarHBondContact OG-N 3.35Å; S218-L222 PolarHBondContact O-N 3.31Å
219P73.6Confident70.4Confident98 Ų98123.2 Ų123.264%0.63665%0.651SS**Hα-helixtrans-51.5-41.7177.4-28.635.3000112.8S221 L222 F223P219-S221 PolarHBondContact O-N 3.43Å; P219-L222 WeakPolarHBondContact O-CB 3.47Å; P219-L222 PolarHBondContact O-N 3.42Å; P219-F223 VanDerWaalsContact O-CD2 3.23Å; P219-F223 WeakPolarHBondContact O-CD2 3.5Å; P219-F223 PolarHBondContact O-N 3.49Å
220Q82.9Confident72.8Confident164 Ų164124 Ų12477%0.76664%0.641SS**Hα-helixtrans-62.9-38.2175.9-69-178.4-16.900113S218 L222 F223 K224S218-Q220 PolarHBondContact O-N 3.37Å; Q220-L222 VanDerWaalsContact C-N 3.35Å; Q220-F223 PolarHBondContact O-N 2.93Å; Q220-K224 PolarHBondContact O-N 3.13Å
221S82.2Confident75.3Confident53 Ų53125.9 Ų125.937%0.37163%0.634SS.*Hα-helixtrans-69.1-34.4175.2-178.20000112.1M217 S218 P219 K225M217-S221 WeakPolarHBondContact CE-OG 3.37Å; S218-S221 WeakPolarHBondContact O-CA 3.47Å; S218-S221 WeakPolarHBondContact O-CB 3.46Å; S218-S221 PolarHBondContact O-N 2.96Å; S218-S221 PolarHBondContact OG-N 3.35Å; P219-S221 PolarHBondContact O-N 3.43Å; S221-K225 WeakPolarHBondContact O-CB 3.33Å; S221-K225 PolarHBondContact O-N 2.93Å; S221-K225 VanDerWaalsContact O-N 3.11Å
222L79.3Confident77.4Confident88 Ų88123.1 Ų123.146%0.46161%0.611SS.*Hα-helixtrans-65.4-48.6173.2-166.5100.2000110.9S218 P219 Q220 K224 K225 I226S218-L222 PolarHBondContact O-N 3.31Å; P219-L222 WeakPolarHBondContact O-CB 3.47Å; P219-L222 PolarHBondContact O-N 3.42Å; Q220-L222 VanDerWaalsContact C-N 3.35Å; L222-K224 PolarHBondContact O-N 3.34Å; L222-K225 PolarHBondContact O-N 3.37Å; L222-K225 VanDerWaalsContact O-N 3.13Å; L222-I226 HydrophobicContact CD2-CD1 3.77Å; L222-I226 HydrophobicContact CG-CD1 3.99Å; L222-I226 WeakPolarHBondContact O-CG1 3.48Å; L222-I226 PolarHBondContact O-N 3.43Å
223F83.2Confident79Confident149 Ų149115.3 Ų115.365%0.65458%0.584SS**Hα-helixtrans-56.6-48.6176.6-88-72.7000111.8P219 Q220 K225 I226 Q227P219-F223 VanDerWaalsContact O-CD2 3.23Å; P219-F223 WeakPolarHBondContact O-CD2 3.5Å; P219-F223 PolarHBondContact O-N 3.49Å; Q220-F223 PolarHBondContact O-N 2.93Å; F223-K225 VanDerWaalsContact C-N 3.28Å; F223-K225 PolarHBondContact O-N 3Å; F223-I226 PolarHBondContact O-N 3.15Å; F223-Q227 WeakPolarHBondContact O-CB 3.48Å; F223-Q227 PolarHBondContact O-N 3.14Å
224K89.3Confident81Confident154 Ų154114 Ų11467%0.6757%0.574SS**Hα-helixtrans-58-40.4176.5-172.3175.9-179.4178.70112.1Q220 L222 Q227 E228Q220-K224 PolarHBondContact O-N 3.13Å; L222-K224 PolarHBondContact O-N 3.34Å; K224-Q227 PolarHBondContact O-N 3.48Å; K224-E228 WeakPolarHBondContact O-CB 3.34Å; K224-E228 PolarHBondContact O-N 2.91Å
225K85.7Confident82.7Confident93 Ų93115.4 Ų115.440%0.40457%0.568SS.*Hα-helixtrans-72.8-32.1179.4-171.2168178.9178.40113.1M217 S221 L222 F223 R229M217-K225 HydrophobicContact CE-CD 3.71Å; M217-K225 HydrophobicContact SD-CD 4.21Å; S221-K225 WeakPolarHBondContact O-CB 3.33Å; S221-K225 PolarHBondContact O-N 2.93Å; S221-K225 VanDerWaalsContact O-N 3.11Å; L222-K225 PolarHBondContact O-N 3.37Å; L222-K225 VanDerWaalsContact O-N 3.13Å; F223-K225 VanDerWaalsContact C-N 3.28Å; F223-K225 PolarHBondContact O-N 3Å; K225-R229 WeakPolarHBondContact O-CB 3.5Å; K225-R229 WeakPolarHBondContact O-CG 3.07Å; K225-R229 PolarHBondContact O-N 3.46Å; K225-R229 VanDerWaalsContact O-N 3.11Å
226I82.9Confident83.7Confident76 Ų76114.6 Ų114.639%0.3956%0.559SS.*Hα-helixtrans-68.6-46.1173-69.1166.7000109.6L222 F223 R229 Q230L222-I226 HydrophobicContact CD2-CD1 3.77Å; L222-I226 HydrophobicContact CG-CD1 3.99Å; L222-I226 WeakPolarHBondContact O-CG1 3.48Å; L222-I226 PolarHBondContact O-N 3.43Å; F223-I226 PolarHBondContact O-N 3.15Å; I226-R229 WeakPolarHBondContact O-CB 3.25Å; I226-R229 PolarHBondContact O-N 3.27Å; I226-Q230 WeakPolarHBondContact O-CG 3.39Å; I226-Q230 PolarHBondContact O-N 3.3Å
227Q90.1Very high84.6Confident130 Ų130113 Ų11361%0.60755%0.548SS*.Hα-helixtrans-60.5-46.7176.6-171.7178.20.700111.7F223 K224 R229 Q230 E231F223-Q227 WeakPolarHBondContact O-CB 3.48Å; F223-Q227 PolarHBondContact O-N 3.14Å; K224-Q227 PolarHBondContact O-N 3.48Å; Q227-R229 VanDerWaalsContact C-N 3.28Å; Q227-R229 PolarHBondContact O-N 3.36Å; Q227-Q230 PolarHBondContact O-N 3.44Å; Q227-Q230 VanDerWaalsContact O-N 3.13Å; Q227-E231 PolarHBondContact O-N 3.31Å
228E89.3Confident85.4Confident128 Ų128115.7 Ų115.760%0.59856%0.559SS**Hα-helixtrans-59.1-38.2175.3-175.1-177.118000111.9K224 A232K224-E228 WeakPolarHBondContact O-CB 3.34Å; K224-E228 PolarHBondContact O-N 2.91Å; E228-A232 VanDerWaalsContact O-CB 3.28Å; E228-A232 WeakPolarHBondContact O-CB 3.49Å; E228-A232 PolarHBondContact O-N 3.31Å
229R87Confident86Confident177 Ų177115.4 Ų115.467%0.66856%0.561SS**Hα-helixtrans-68.2-38.9175-82.4-177.6175.6-173.4-1.8112.8K225 I226 Q227 A233K225-R229 WeakPolarHBondContact O-CB 3.5Å; K225-R229 WeakPolarHBondContact O-CG 3.07Å; K225-R229 PolarHBondContact O-N 3.46Å; K225-R229 VanDerWaalsContact O-N 3.11Å; I226-R229 WeakPolarHBondContact O-CB 3.25Å; I226-R229 PolarHBondContact O-N 3.27Å; Q227-R229 VanDerWaalsContact C-N 3.28Å; Q227-R229 PolarHBondContact O-N 3.36Å; R229-A233 WeakPolarHBondContact O-CB 3.31Å; R229-A233 PolarHBondContact O-N 3.08Å
230Q89.8Confident86.8Confident132 Ų132117 Ų11762%0.61756%0.56SS**Hα-helixtrans-66.7-43.5176.7-73.1175.7-14.600111.1I226 Q227 A233 A234I226-Q230 WeakPolarHBondContact O-CG 3.39Å; I226-Q230 PolarHBondContact O-N 3.3Å; Q227-Q230 PolarHBondContact O-N 3.44Å; Q227-Q230 VanDerWaalsContact O-N 3.13Å; Q230-A233 PolarHBondContact O-N 2.94Å; Q230-A234 PolarHBondContact O-N 3Å
231E90.6Very high87.1Confident135 Ų135113.7 Ų113.763%0.63155%0.546SS*.Hα-helixtrans-63.2-43.8175.6-170.4-177.6166.500111.6Q227 A233 A234 K235Q227-E231 PolarHBondContact O-N 3.31Å; E231-A233 VanDerWaalsContact C-N 3.3Å; E231-A233 PolarHBondContact O-N 2.91Å; E231-A234 PolarHBondContact O-N 3.29Å; E231-K235 WeakPolarHBondContact O-CB 3.4Å; E231-K235 PolarHBondContact O-N 3.24Å
232A87.1Confident87.4Confident43 Ų43114 Ų11436%0.35555%0.552SS.*Hα-helixtrans-63.6-34.5174.900000112.7E228 R236E228-A232 VanDerWaalsContact O-CB 3.28Å; E228-A232 WeakPolarHBondContact O-CB 3.49Å; E228-A232 PolarHBondContact O-N 3.31Å; A232-R236 WeakPolarHBondContact O-CG 3.37Å; A232-R236 PolarHBondContact O-N 3.25Å
233A85.4Confident87.8Confident41 Ų41115 Ų11534%0.33956%0.555SS.*Hα-helixtrans-70.1-42.8174.900000111.8R229 Q230 E231 R236 R237R229-A233 WeakPolarHBondContact O-CB 3.31Å; R229-A233 PolarHBondContact O-N 3.08Å; Q230-A233 PolarHBondContact O-N 2.94Å; E231-A233 VanDerWaalsContact C-N 3.3Å; E231-A233 PolarHBondContact O-N 2.91Å; A233-R236 PolarHBondContact O-N 3.46Å; A233-R237 PolarHBondContact O-N 2.75Å; A233-R237 VanDerWaalsContact O-N 3.07Å
234A87.8Confident88.1Confident57 Ų57114.1 Ų114.147%0.47155%0.55SS.*Hα-helixtrans-60.6-47.3175.300000111.5Q230 E231 R236 R237 E238Q230-A234 PolarHBondContact O-N 3Å; E231-A234 PolarHBondContact O-N 3.29Å; A234-R236 VanDerWaalsContact C-N 3.28Å; A234-R236 PolarHBondContact O-N 2.75Å; A234-R237 WeakPolarHBondContact O-CB 3.41Å; A234-R237 PolarHBondContact O-N 3.45Å; A234-R237 VanDerWaalsContact O-N 3.09Å; A234-E238 PolarHBondContact O-N 2.84Å
235K90.2Very high88Confident150 Ų150111.4 Ų111.465%0.65254%0.542SS*.Hα-helixtrans-61.6-34.1177.2-168.2171.3-174.2169.90113.1E231 A239E231-K235 WeakPolarHBondContact O-CB 3.4Å; E231-K235 PolarHBondContact O-N 3.24Å; K235-A239 WeakPolarHBondContact O-CB 3.29Å; K235-A239 PolarHBondContact O-N 3.37Å; K235-A239 VanDerWaalsContact O-N 3.08Å
236R88.2Confident88.1Confident179 Ų179114 Ų11468%0.67555%0.55SS*.Hα-helixtrans-68-40.9173.3-78.1176.4-174.4159.82.7112.2A232 A233 A234 A239 Q240A232-R236 WeakPolarHBondContact O-CG 3.37Å; A232-R236 PolarHBondContact O-N 3.25Å; A233-R236 PolarHBondContact O-N 3.46Å; A234-R236 VanDerWaalsContact C-N 3.28Å; A234-R236 PolarHBondContact O-N 2.75Å; R236-A239 PolarHBondContact O-N 2.9Å; R236-Q240 VanDerWaalsContact O-CG 3.31Å; R236-Q240 WeakPolarHBondContact O-CG 3.43Å; R236-Q240 PolarHBondContact O-N 2.96Å
237R85.7Confident88.2Confident181 Ų181113.9 Ų113.968%0.68355%0.55SS*.Hα-helixtrans-62.9-45176.1-70.8178.4-177.8175.2-1.3111.1A233 A234 A239 Q240 L241A233-R237 PolarHBondContact O-N 2.75Å; A233-R237 VanDerWaalsContact O-N 3.07Å; A234-R237 WeakPolarHBondContact O-CB 3.41Å; A234-R237 PolarHBondContact O-N 3.45Å; A234-R237 VanDerWaalsContact O-N 3.09Å; R237-A239 PolarHBondContact O-N 2.78Å; R237-Q240 PolarHBondContact O-N 3.37Å; R237-L241 WeakPolarHBondContact O-CG 3.47Å; R237-L241 PolarHBondContact O-N 2.86Å
238E86.1Confident87.9Confident138 Ų138116.3 Ų116.365%0.64555%0.553SS**Hα-helixtrans-59.5-45.9176.3-169.6-173.7173.900111.9A234 Q240 L241 A242A234-E238 PolarHBondContact O-N 2.84Å; E238-Q240 VanDerWaalsContact C-N 3.33Å; E238-Q240 PolarHBondContact O-N 3.4Å; E238-L241 PolarHBondContact O-N 2.95Å; E238-A242 WeakPolarHBondContact O-CB 3.33Å; E238-A242 PolarHBondContact O-N 3.29Å
239A89.7Confident87.6Confident58 Ų58115.1 Ų115.148%0.47955%0.548SS..Hα-helixtrans-61.5-39.7176.500000112.6K235 R236 R237 A242 E243K235-A239 WeakPolarHBondContact O-CB 3.29Å; K235-A239 PolarHBondContact O-N 3.37Å; K235-A239 VanDerWaalsContact O-N 3.08Å; R236-A239 PolarHBondContact O-N 2.9Å; R237-A239 PolarHBondContact O-N 2.78Å; A239-A242 PolarHBondContact O-N 3.48Å; A239-E243 WeakPolarHBondContact O-CB 3.47Å; A239-E243 PolarHBondContact O-N 3.28Å
240Q89.7Confident87.3Confident132 Ų132108.8 Ų108.862%0.61753%0.533SS*.Hα-helixtrans-67.1-39.2176.4-74.2176.5-9.100112.4R236 R237 E238 E243 K244R236-Q240 VanDerWaalsContact O-CG 3.31Å; R236-Q240 WeakPolarHBondContact O-CG 3.43Å; R236-Q240 PolarHBondContact O-N 2.96Å; R237-Q240 PolarHBondContact O-N 3.37Å; E238-Q240 VanDerWaalsContact C-N 3.33Å; E238-Q240 PolarHBondContact O-N 3.4Å; Q240-E243 PolarHBondContact O-N 3.18Å; Q240-K244 WeakPolarHBondContact O-CB 3.35Å; Q240-K244 PolarHBondContact O-N 2.88Å
241L89.5Confident86.7Confident93 Ų93104.8 Ų104.849%0.48752%0.522SS..Hα-helixtrans-64.9-46.4174.6-73.8171.7000111.2R237 E238 E243 K244 I245R237-L241 WeakPolarHBondContact O-CG 3.47Å; R237-L241 PolarHBondContact O-N 2.86Å; E238-L241 PolarHBondContact O-N 2.95Å; L241-E243 VanDerWaalsContact C-N 3.31Å; L241-E243 PolarHBondContact O-N 3.32Å; L241-K244 PolarHBondContact O-N 3.3Å; L241-I245 WeakPolarHBondContact O-CG1 3.49Å; L241-I245 PolarHBondContact O-N 2.72Å
242A89Confident86Confident60 Ų60104.8 Ų104.850%0.49652%0.522SS..Hα-helixtrans-58.6-42.2175.800000111.8E238 A239 I245 R246E238-A242 WeakPolarHBondContact O-CB 3.33Å; E238-A242 PolarHBondContact O-N 3.29Å; A239-A242 PolarHBondContact O-N 3.48Å; A242-I245 PolarHBondContact O-N 3.22Å; A242-R246 WeakPolarHBondContact O-CB 3.41Å; A242-R246 PolarHBondContact O-N 3.19Å
243E87.5Confident85.3Confident109 Ų109111.9 Ų111.951%0.50954%0.54SS..Hα-helixtrans-66-41.5175.7-173.7169.6-167.300112.3A239 Q240 L241 I245 R246 L247A239-E243 WeakPolarHBondContact O-CB 3.47Å; A239-E243 PolarHBondContact O-N 3.28Å; Q240-E243 PolarHBondContact O-N 3.18Å; L241-E243 VanDerWaalsContact C-N 3.31Å; L241-E243 PolarHBondContact O-N 3.32Å; E243-I245 PolarHBondContact O-N 3.33Å; E243-R246 PolarHBondContact O-N 2.94Å; E243-L247 HydrophobicContact CG-CD1 4.31Å; E243-L247 WeakPolarHBondContact O-CG 3.18Å; E243-L247 PolarHBondContact O-N 2.72Å
244K89.8Confident84.2Confident130 Ų130116.6 Ų116.657%0.56556%0.559SS**Hα-helixtrans-62.5-41.1176.5-169.4178.9178.8-175.30111.6Q240 L241 L247 R248Q240-K244 WeakPolarHBondContact O-CB 3.35Å; Q240-K244 PolarHBondContact O-N 2.88Å; L241-K244 PolarHBondContact O-N 3.3Å; K244-L247 PolarHBondContact O-N 3.09Å; K244-R248 WeakPolarHBondContact O-CB 3.38Å; K244-R248 PolarHBondContact O-N 3.03Å
245I87.3Confident82.7Confident98 Ų98122.3 Ų122.350%0.50357%0.569SS.*Hα-helixtrans-63.9-47.4174.9-67.8166.6000110.4L241 A242 E243 L247 R248 Q249L241-I245 WeakPolarHBondContact O-CG1 3.49Å; L241-I245 PolarHBondContact O-N 2.72Å; A242-I245 PolarHBondContact O-N 3.22Å; E243-I245 PolarHBondContact O-N 3.33Å; I245-L247 VanDerWaalsContact C-N 3.3Å; I245-L247 PolarHBondContact O-N 2.86Å; I245-R248 PolarHBondContact O-N 2.92Å; I245-R248 VanDerWaalsContact O-N 3.13Å; I245-Q249 WeakPolarHBondContact O-CG 3.37Å; I245-Q249 PolarHBondContact O-N 3.36Å
246R87.5Confident80.9Confident147 Ų147123.3 Ų123.356%0.55558%0.576SS**Hα-helixtrans-56.9-43.4176.6-169.2-168.773.392.3-1.1111.7A242 E243 Q249 A250A242-R246 WeakPolarHBondContact O-CB 3.41Å; A242-R246 PolarHBondContact O-N 3.19Å; E243-R246 PolarHBondContact O-N 2.94Å; R246-Q249 PolarHBondContact O-N 3.17Å; R246-A250 WeakPolarHBondContact O-CB 3.39Å; R246-A250 PolarHBondContact O-N 3.07Å
247L84.6Confident78.7Confident74 Ų74123.1 Ų123.139%0.38758%0.58SS.*Hα-helixtrans-66.3-39.3176.8-72.1173.2000112.4E243 K244 I245 A250 A251E243-L247 HydrophobicContact CG-CD1 4.31Å; E243-L247 WeakPolarHBondContact O-CG 3.18Å; E243-L247 PolarHBondContact O-N 2.72Å; K244-L247 PolarHBondContact O-N 3.09Å; I245-L247 VanDerWaalsContact C-N 3.3Å; I245-L247 PolarHBondContact O-N 2.86Å; L247-A250 PolarHBondContact O-N 3.08Å; L247-A251 WeakPolarHBondContact O-CB 3.35Å; L247-A251 PolarHBondContact O-N 3.12Å
248R85.1Confident77Confident180 Ų180119.9 Ų119.968%0.67958%0.582SS**Hα-helixtrans-63.5-43.8175.7-173.5-178.3-97.9174.2-7.2111.2K244 I245 A251 Q252K244-R248 WeakPolarHBondContact O-CB 3.38Å; K244-R248 PolarHBondContact O-N 3.03Å; I245-R248 PolarHBondContact O-N 2.92Å; I245-R248 VanDerWaalsContact O-N 3.13Å; R248-A251 PolarHBondContact O-N 3.36Å; R248-Q252 WeakPolarHBondContact O-CG 3.43Å; R248-Q252 PolarHBondContact O-N 3.46Å
249Q82.7Confident75.1Confident104 Ų104121 Ų12149%0.48659%0.591SS.*Hα-helixtrans-63.6-40.9175.4-70.4179.2-4.200112.3I245 R246 Q252 R253I245-Q249 WeakPolarHBondContact O-CG 3.37Å; I245-Q249 PolarHBondContact O-N 3.36Å; R246-Q249 PolarHBondContact O-N 3.17Å; Q249-Q252 PolarHBondContact O-N 3.11Å; Q249-R253 PolarHBondContact O-N 3.38Å; Q249-R253 VanDerWaalsContact O-N 3.15Å
250A79.4Confident73.1Confident43 Ų43123.9 Ų123.936%0.35560%0.603SS.*Hα-helixtrans-64.7-41.5175.300000112.3R246 L247 Q252 R253 N254R246-A250 WeakPolarHBondContact O-CB 3.39Å; R246-A250 PolarHBondContact O-N 3.07Å; L247-A250 PolarHBondContact O-N 3.08Å; A250-Q252 VanDerWaalsContact C-N 3.34Å; A250-Q252 PolarHBondContact O-N 3Å; A250-R253 PolarHBondContact O-N 2.71Å; A250-N254 PolarHBondContact O-N 3.04Å
251A77.1Confident70.9Confident48 Ų48123.1 Ų123.140%0.39761%0.609SS.*Hα-helixtrans-66.3-34.8177.200000112.7L247 R248 N254 R255L247-A251 WeakPolarHBondContact O-CB 3.35Å; L247-A251 PolarHBondContact O-N 3.12Å; R248-A251 PolarHBondContact O-N 3.36Å; A251-N254 PolarHBondContact O-N 3.31Å; A251-R255 WeakPolarHBondContact O-CG 3.37Å; A251-R255 PolarHBondContact O-N 3.27Å
252Q76Confident68.7Low135 Ų135126.3 Ų126.363%0.63163%0.625SS**Hα-helixtrans-66.5-42.3174.4-78.4-177-2000112.1R248 Q249 A250 N254 R255R248-Q252 WeakPolarHBondContact O-CG 3.43Å; R248-Q252 PolarHBondContact O-N 3.46Å; Q249-Q252 PolarHBondContact O-N 3.11Å; A250-Q252 VanDerWaalsContact C-N 3.34Å; A250-Q252 PolarHBondContact O-N 3Å; Q252-N254 VanDerWaalsContact C-N 3.26Å; Q252-N254 PolarHBondContact O-N 2.73Å; Q252-R255 PolarHBondContact O-N 3.13Å; Q252-R255 VanDerWaalsContact O-N 3.14Å
253R72.8Confident66.5Low193 Ų193134.4 Ų134.473%0.72864%0.643SS**Hα-helixtrans-60.1-34.9176-80.8-170.3168.1118.6-1.5112.9Q249 A250 R255Q249-R253 PolarHBondContact O-N 3.38Å; Q249-R253 VanDerWaalsContact O-N 3.15Å; A250-R253 PolarHBondContact O-N 2.71Å; R253-R255 VanDerWaalsContact C-N 3.31Å; R253-R255 PolarHBondContact O-N 3.2Å
254N62.9Low64.4Low139 Ų139134.8 Ų134.874%0.74366%0.655SS**THydrogen-bonded Turntrans-77.8-10.2179.2-72.9-14.5000114.5A250 A251 Q252A250-N254 PolarHBondContact O-N 3.04Å; A251-N254 PolarHBondContact O-N 3.31Å; Q252-N254 VanDerWaalsContact C-N 3.26Å; Q252-N254 PolarHBondContact O-N 2.73Å
255R56.6Low62Low178 Ų178135.9 Ų135.967%0.67267%0.667SS**THydrogen-bonded Turntrans-95.3-2.3-179.2-74.7-176.1-179-177.21.5114.5A251 Q252 R253 F257A251-R255 WeakPolarHBondContact O-CG 3.37Å; A251-R255 PolarHBondContact O-N 3.27Å; Q252-R255 PolarHBondContact O-N 3.13Å; Q252-R255 VanDerWaalsContact O-N 3.14Å; R253-R255 VanDerWaalsContact C-N 3.31Å; R253-R255 PolarHBondContact O-N 3.2Å; R255-F257 VanDerWaalsContact C-N 3.28Å; R255-F257 PolarHBondContact O-N 3.22Å
256Q50.7Low59.9Low171 Ų171139 Ų13980%0.79968%0.683SS**  trans-74.384.4168.5-89.9170-13.100109.7
257F43.5Very low57.8Low175 Ų175141.2 Ų141.277%0.76870%0.697SS**  trans-68.7137.1161.7-77.9-84.3000109.1R255 I259R255-F257 VanDerWaalsContact C-N 3.28Å; R255-F257 PolarHBondContact O-N 3.22Å; F257-I259 PolarHBondContact O-N 3.16Å; F257-I259 VanDerWaalsContact O-N 3.08Å
258P49.1Very low55.8Low112 Ų112141.2 Ų141.273%0.72772%0.716SS**  trans-62.4114.5174.224.2-30.7000109.1T260P258-T260 PolarHBondContact O-N 2.98Å
259I46.9Very low53.9Low163 Ų163142.3 Ų142.384%0.83673%0.725SS**  trans-69.498.8172.4-58.7172.7000106.9F257 P261F257-I259 PolarHBondContact O-N 3.16Å; F257-I259 VanDerWaalsContact O-N 3.08Å; I259-P261 WeakPolarHBondContact O-CD 3.42Å
260T46.6Very low51.5Low117 Ų117143.7 Ų143.772%0.71875%0.745SS**  trans-70.3121.6164.333.30000109.1P258 I262P258-T260 PolarHBondContact O-N 2.98Å; T260-I262 PolarHBondContact O-N 2.99Å
261P43.9Very low49.8Very low116 Ų116147.5 Ų147.575%0.75377%0.766SS**  trans-71.5115.3-179.626.2-31.3000110.9I259 R263I259-P261 WeakPolarHBondContact O-CD 3.42Å; P261-R263 PolarHBondContact O-N 2.85Å
262I42.6Very low48.3Very low160 Ų160151.2 Ų151.282%0.82179%0.789SS**  trans-76.5112.6171-58.3174.5000108T260T260-I262 PolarHBondContact O-N 2.99Å
263R42.8Very low46.4Very low231 Ų231148.2 Ų148.287%0.87279%0.794SS**  trans-77.3124.4172.3-71.6-176.4177.3-176.9-0.5110P261 N265P261-R263 PolarHBondContact O-N 2.85Å; R263-N265 PolarHBondContact O-N 3.4Å
264P44.9Very low44.9Very low116 Ų116146.6 Ų146.675%0.75380%0.795SS**  trans-70.4130.1171.726.2-29.5000110.5L266P264-L266 PolarHBondContact O-N 3.44Å
265N39.2Very low43.6Very low153 Ų153146.1 Ų146.182%0.81880%0.8SS**  trans-80.1100.9-176.4-153.1-17.6000109.7R263R263-N265 PolarHBondContact O-N 3.4Å
266L42.3Very low42.9Very low163 Ų163147.3 Ų147.385%0.85380%0.804SS**  trans-89.3104.6173.6-80.1161.5000109.8P264P264-L266 PolarHBondContact O-N 3.44Å
267K44.3Very low42.2Very low194 Ų194145.8 Ų145.884%0.84381%0.806SS**  trans-137.4104.4160.9-84.3-168.8177.3-1800111.6
268G42.5Very low41.7Very low75 Ų75143 Ų14377%0.77381%0.807SS**  trans67.2139.5144.200000117.6
269K44.3Very low41.5Very low203 Ų203143.1 Ų143.188%0.88381%0.806SS**  cis-155.9132.98.3-69.5173.3176.7177.20105.8
270C33.4Very low41Very low133 Ų133140.8 Ų140.890%0.89980%0.802SS**  trans-89.1136.2166.5-65.90000109.7
271P44.2Very low40.7Very low123 Ų123144.5 Ų144.580%0.79981%0.808SS**  trans-93.9133.6146.73.715.8000109.6
272S44Very low40.2Very low125 Ų125146.9 Ų146.987%0.87481%0.807SS**  trans-41139.917452.30000116.2
273G36.6Very low39.8Very low72 Ų72150.3 Ų150.374%0.74281%0.809SS**  trans164.787.1159.900000116.3
274Q41.5Very low39.4Very low159 Ų159144.7 Ų144.774%0.74380%0.802SS**  trans67.9127.8159.4-67-170.6-30.800120.4R276Q274-R276 PolarHBondContact O-N 2.87Å
275P35.7Very low38.6Very low130 Ų130144 Ų14484%0.84481%0.807SS**  trans-83.1101.3167.533.2-26.3000108.9
276R41.9Very low38.4Very low203 Ų203143.2 Ų143.277%0.76681%0.807SS**  trans-88.7106.7162.8-71.7-168.3-177.4-1701.3108.8Q274 C278Q274-R276 PolarHBondContact O-N 2.87Å; R276-C278 PolarHBondContact O-N 3.16Å; R276-C278 VanDerWaalsContact O-N 3.13Å
277T36.9Very low37.7Very low138 Ų138140.7 Ų140.785%0.84780%0.799SS**  trans-51.6107.5161.742.30000109.7
278C32.2Very low37.3Very low116 Ų116137.5 Ų137.578%0.78480%0.798SS**  trans-109.9102.6169.7-71.70000109.2R276R276-C278 PolarHBondContact O-N 3.16Å; R276-C278 VanDerWaalsContact O-N 3.13Å
279T44.2Very low36.8Very low115 Ų115142.6 Ų142.671%0.70680%0.801SS**  trans-56.8140.7162.8490000110.4K281T279-K281 PolarHBondContact O-N 3.04Å
280P38Very low36Very low115 Ų115141.3 Ų141.375%0.74780%0.802SS**  trans-69.9106.7175.528.1-30.1000109.2F282P280-F282 PolarHBondContact O-N 2.76Å
281K40.1Very low35.8Very low195 Ų195138.1 Ų138.185%0.84879%0.791SS**  trans-58.7107.5170.6-75.5178.7176.3175.60109.1T279 R283T279-K281 PolarHBondContact O-N 3.04Å; K281-R283 PolarHBondContact O-N 3.02Å
282F32.8Very low35.1Very low165 Ų165140 Ų14072%0.72479%0.793SS**PPolyproline II helixtrans-59122.9158.2-87.3-102.8000107.8P280P280-F282 PolarHBondContact O-N 2.76Å
283R35.3Very low34.4Very low233 Ų233139.4 Ų139.488%0.87977%0.772SS**PPolyproline II helixtrans-83.3135.3165.2-77.5-170.7178.2-170.9-0.1108.3K281K281-R283 PolarHBondContact O-N 3.02Å
284P32.6Very low34.1Very low112 Ų112141.4 Ų141.473%0.72777%0.772SS**PPolyproline II helixtrans-71.2157176.6-4.121.1000110.9V286P284-V286 PolarHBondContact O-N 3.32Å
285A29.6Very low33.6Very low102 Ų102138.7 Ų138.784%0.84377%0.768SS**PPolyproline II helixtrans-56.9126.8174.100000110.8
286V33.6Very low33.3Very low137 Ų137137 Ų13783%0.8377%0.765SS**  trans-96.4108.4174.3178.60000107.9P284P284-V286 PolarHBondContact O-N 3.32Å
287T29.3Very low32.7Very low109 Ų109133 Ų13367%0.66977%0.769SS**PPolyproline II helixtrans-66.5134.2162.235.60000110.3H289T287-H289 PolarHBondContact O-N 3.01Å
288P35.4Very low32.4Very low127 Ų127132.2 Ų132.283%0.82576%0.763SS**PPolyproline II helixtrans-84.6118.5172.631.6-27000110.1
289H30.7Very low32.3Very low182 Ų182136.8 Ų136.884%0.84377%0.77SS**PPolyproline II helixtrans-71.4135.3168-88.9-79.6000111T287T287-H289 PolarHBondContact O-N 3.01Å
290I27.8Very low31.6Very low176 Ų176135.8 Ų135.890%0.90377%0.768SS**PPolyproline II helixtrans-68.3131.2168.8-64.7157.5000109.1
291G30.1Very low31.4Very low66 Ų66135.8 Ų135.868%0.6877%0.771SS**  trans-162.6133.617800000112.5
292I28Very low30.8Very low163 Ų163134.9 Ų134.984%0.83677%0.769SS**  trans-84.5147.6-157.7-64.6158.6000113.3
293R30.7Very low30.9Very low112 Ų112136.8 Ų136.842%0.42378%0.777SS.*  trans-81.3168.3-179.6-150.1-143.6-150.3163.919114.1D110 D111D110-R293 PolarHBondContact O-NH2 2.92Å; D110-R293 VanDerWaalsContact O-NH2 3.09Å; D111-R293 VanDerWaalsContact CG-NH2 3.34Å; D111-R293 WeakPolarHBondContact OD1-CD 3.48Å; D111-R293 IonicContact OD1-CZ 2.78Å; D111-R293 IonicContact OD1-NE 2.88Å; D111-R293 PolarHBondContact OD1-NE 3.25Å; D111-R293 IonicContact OD1-NH1 3.02Å; D111-R293 PolarHBondContact OD1-NH1 3.4Å; D111-R293 IonicContact OD1-NH2 3.22Å; D111-R293 PolarHBondContact OD1-NH2 3.02Å; D111-R293 IonicContact OD2-CZ 2.98Å; D111-R293 IonicContact OD2-NE 3.89Å; D111-R293 IonicContact OD2-NH1 2.57Å; D111-R293 PolarHBondContact OD2-NH1 3.23Å; D111-R293 IonicContact OD2-NH2 3.08Å; D111-R293 PolarHBondContact OD2-NH2 3.43Å; D111-R293 VanDerWaalsContact OD2-NH2 3.08Å
294P29Very low30.6Very low114 Ų114135.7 Ų135.774%0.7478%0.779SS**  trans-132161.2136.536-23.2000114.2
295P32.5Very low30.5Very low102 Ų102136.7 Ų136.766%0.66278%0.783SS**  trans-112.4163.4-150.439.9-30.7000117.9
296A28.9Very low30.3Very low96 Ų96138.1 Ų138.179%0.79378%0.781SS**  trans67.7122.2146.200000122.7
297S29.4Very low30.2Very low119 Ų119136.1 Ų136.183%0.83277%0.77SS**  -158.1128.5129.5730000111.9
298T29.6Very low30Very low120 Ų120136.1 Ų136.174%0.73677%0.774SS**  trans-62.6150.6176.945.30000114.9
299F31.7Very low29.7Very low213 Ų213138.5 Ų138.593%0.93477%0.774SS**  -169.7148.6127.4-100.8-70.2000113.3
300S28.6Very low29.5Very low93 Ų93136 Ų13665%0.6577%0.772SS**  trans-86.9150.9-166.7164.70000114.4
301S33.3Very low29.4Very low115 Ų115131.2 Ų131.280%0.80477%0.765SS**  164.5148.5112.654.70000115
302H28.1Very low29.2Very low177 Ų177136.8 Ų136.882%0.81977%0.774SS**  trans-53.6144.4-168.1-56.4-90.8000119.1
303K33.7Very low29.1Very low205 Ų205133.1 Ų133.189%0.89176%0.762SS**  trans-152.2122.6137.9-105.7175.2-173.1-179.80110.7
304K29.1Very low28.8Very low210 Ų210131.2 Ų131.291%0.91377%0.771SS**  trans-66127.2177.9-72.1179.7173.4-177.30110.6
305V31.1Very low28.8Very low133 Ų133129.6 Ų129.681%0.80675%0.753SS**  trans-127.9123.5165.5179.50000107.4
306V26.4Very low28.6Very low132 Ų132128.8 Ų128.880%0.874%0.743SS**PPolyproline II helixtrans-77.1128.2-179.7176.50000109.3
307P30.3Very low28.5Very low95 Ų95129.3 Ų129.362%0.61773%0.731SS**PPolyproline II helixtrans-89.6126.7167.2118.6000110.5H309P307-H309 PolarHBondContact O-N 3.4Å
308S25.9Very low28.4Very low108 Ų108127 Ų12776%0.75571%0.712SS**PPolyproline II helixtrans-68.3116.9167.5163.10000109.7V310S308-V310 PolarHBondContact O-N 3.06Å
309H28.6Very low28.5Very low178 Ų178126 Ų12682%0.82471%0.706SS**  trans-79.7113.2173.7-65.8-74000110.3P307P307-H309 PolarHBondContact O-N 3.4Å
310V25.9Very low28.4Very low130 Ų130120 Ų12079%0.78869%0.688SS**  trans-109.187.2157.2-179.20000106.1S308S308-V310 PolarHBondContact O-N 3.06Å
311G26.3Very low28.2Very low74 Ų74118.5 Ų118.576%0.76369%0.688SS**PPolyproline II helixtrans-80.1120.517400000110.3
312Q25.7Very low27.9Very low184 Ų184117.9 Ų117.986%0.8668%0.683SS**PPolyproline II helixtrans-86118.2163.4-74.3176.9-20.300107.5
313S25.7Very low27.9Very low85 Ų85113.6 Ų113.659%0.59468%0.678SS**PPolyproline II helixtrans-85.5122.9174.348.40000110.2H315S313-H315 PolarHBondContact O-CD2 3.08Å; S313-H315 PolarHBondContact O-NE2 3.04Å; S313-H315 PolarHBondContact OG-CE1 3.38Å; S313-H315 PolarHBondContact OG-NE2 3.17Å
314A24.9Very low27.7Very low73 Ų73114.9 Ų114.960%0.60368%0.684SS**PPolyproline II helixtrans-80.1133.7167.500000109.3
315H30.1Very low27.7Very low79 Ų79107.4 Ų107.437%0.36667%0.666SS.*  trans-112.6120.3-176-64.9-64.3000111.5S313 M445S313-H315 PolarHBondContact O-CD2 3.08Å; S313-H315 PolarHBondContact O-NE2 3.04Å; S313-H315 PolarHBondContact OG-CE1 3.38Å; S313-H315 PolarHBondContact OG-NE2 3.17Å; H315-M445 HydrophobicContact CB-SD 4.09Å; H315-M445 VanDerWaalsContact CD2-CE 3.41Å; H315-M445 WeakPolarHBondContact CD2-CE 3.21Å; H315-M445 VanDerWaalsContact CD2-SD 3.55Å; H315-M445 WeakPolarHBondContact CE1-CE 3.19Å; H315-M445 PolarHBondContact CE1-SD 3.49Å; H315-M445 PolarHBondContact ND1-SD 3.05Å; H315-M445 WeakPolarHBondContact NE2-CE 3.47Å
316L26.5Very low27.5Very low86 Ų86105 Ų10545%0.4567%0.668SS.*  trans-102.2110.7-178.3-137.8142.6000108.8Y52 V318 Q444Y52-L316 HydrophobicContact CE2-CD1 4.34Å; Y52-L316 WeakPolarHBondContact OH-CD1 3.37Å; L316-V318 PolarHBondContact O-N 3.43Å; L316-Q444 PolarHBondContact O-NE2 3Å
317I27.5Very low27.9Very low107 Ų107104.4 Ų104.455%0.54966%0.66SS.*  trans-79.1108.8176.7-61.6174000108.3T319 Y441I317-T319 PolarHBondContact O-N 3.34Å; I317-Y441 HydrophobicContact CD1-CD2 4.31Å; I317-Y441 HydrophobicContact CD1-CE2 4.28Å; I317-Y441 HydrophobicContact CG1-CD2 4.21Å; I317-Y441 HydrophobicContact CG1-CE2 4.23Å
318V28.3Very low28.3Very low70 Ų70109.6 Ų109.642%0.42467%0.673SS.*  trans-83.3112175-179.20000108.5L316 F454L316-V318 PolarHBondContact O-N 3.43Å; V318-F454 HydrophobicContact CG2-CE2 4.27Å; V318-F454 HydrophobicContact CG2-CZ 4.19Å
319T31.3Very low28.9Very low100 Ų100109.2 Ų109.261%0.61366%0.663SS**  trans-96.9126.3171-300000107.3I317 G321 W431I317-T319 PolarHBondContact O-N 3.34Å; T319-G321 VanDerWaalsContact C-N 3.29Å; T319-G321 PolarHBondContact O-N 2.89Å; T319-W431 HydrophobicContact CG2-CH2 3.9Å
320P28.5Very low29.3Very low86 Ų86105 Ų10556%0.55865%0.651SS**  trans-68.589.8175.327.5-34.6000109.7W431P320-W431 HydrophobicContact CG-CD2 4.5Å; P320-W431 HydrophobicContact CG-CH2 3.51Å; P320-W431 HydrophobicContact CG-CZ2 3.2Å; P320-W431 HydrophobicContact CG-CZ3 4.21Å
321G26.1Very low29.7Very low62 Ų62100.3 Ų100.364%0.63962%0.624SS**  trans-80.1144.5164.700000110T319 A323T319-G321 VanDerWaalsContact C-N 3.29Å; T319-G321 PolarHBondContact O-N 2.89Å; G321-A323 PolarHBondContact O-N 3.09Å
322S26.5Very low30.3Very low102 Ų102100.8 Ų100.871%0.71362%0.62SS**  trans-62.989.1-173.8550000112.8
323A27.8Very low31Very low87 Ų8797.2 Ų97.272%0.71960%0.602SS**  trans-79116.2158.400000107.9G321 G325G321-A323 PolarHBondContact O-N 3.09Å; A323-G325 PolarHBondContact O-N 2.8Å
324K29.2Very low31.5Very low231 Ų23196 Ų96100%1.00459%0.589SS**SBendtrans-64.778.7163-95.1178.2172.1173.20107.6
325G28.9Very low32.1Very low53 Ų5393.7 Ų93.755%0.54657%0.568SS.*SBendtrans-170.2119179.100000107.4A323 L327A323-G325 PolarHBondContact O-N 2.8Å; G325-L327 VanDerWaalsContact C-N 3.31Å; G325-L327 PolarHBondContact O-N 2.77Å
326G26.9Very low32.4Very low82 Ų8295 Ų9585%0.84558%0.584SS**  trans-65.381.7-168.200000113.7K328G326-K328 PolarHBondContact O-N 3.42Å
327L35.7Very low33.1Very low120 Ų12097.5 Ų97.563%0.62859%0.591SS**  trans-67.988.2164.3-157.779.3000107.2G325 D329 F333G325-L327 VanDerWaalsContact C-N 3.31Å; G325-L327 PolarHBondContact O-N 2.77Å; L327-D329 PolarHBondContact O-N 3.35Å; L327-F333 HydrophobicContact CD1-CE2 4.32Å; L327-F333 HydrophobicContact CD2-CD2 4.46Å; L327-F333 HydrophobicContact CD2-CE2 3.85Å; L327-F333 HydrophobicContact CG-CE2 4.35Å
328K38.7Very low33.6Very low205 Ų20593.1 Ų93.189%0.89157%0.569SS**  trans-61102.3169.4-94.1170.5174.91710106.8G326G326-K328 PolarHBondContact O-N 3.42Å
329D37.4Very low34.1Very low100 Ų10093.1 Ų93.154%0.53557%0.566SS.*  trans80.694.4167.3-145.2-14.8000116.6L327 S331 A332L327-D329 PolarHBondContact O-N 3.35Å; D329-S331 PolarHBondContact O-N 3.31Å; D329-S331 VanDerWaalsContact O-N 3.11Å; D329-S331 WeakPolarHBondContact OD1-CB 3Å; D329-S331 PolarHBondContact OD1-N 2.85Å; D329-S331 PolarHBondContact OD1-OG 3.31Å; D329-S331 PolarHBondContact OD2-OG 2.95Å; D329-S331 VanDerWaalsContact OD2-OG 3.11Å; D329-A332 PolarHBondContact O-N 2.67Å
330P38.1Very low34.4Very low90 Ų9091.2 Ų91.258%0.58456%0.56SS**G310 helixtrans-66.9-7.2172.129.3-34.1000112.7A332 F333P330-A332 PolarHBondContact O-N 2.81Å; P330-F333 PolarHBondContact O-N 3.31Å
331S34.3Very low34.8Very low31 Ų3192.3 Ų92.322%0.21756%0.561CS.*G310 helixtrans-70.8-14.5177.774.40000113.7D329 F333 L334D329-S331 PolarHBondContact O-N 3.31Å; D329-S331 VanDerWaalsContact O-N 3.11Å; D329-S331 WeakPolarHBondContact OD1-CB 3Å; D329-S331 PolarHBondContact OD1-N 2.85Å; D329-S331 PolarHBondContact OD1-OG 3.31Å; D329-S331 PolarHBondContact OD2-OG 2.95Å; D329-S331 VanDerWaalsContact OD2-OG 3.11Å; S331-F333 PolarHBondContact O-N 3.07Å; S331-L334 PolarHBondContact O-N 3.26Å
332A38.8Very low35.2Very low83 Ų8395.6 Ų95.669%0.68656%0.558SS**G310 helixtrans-66.7-18.5171.400000114D329 P330D329-A332 PolarHBondContact O-N 2.67Å; P330-A332 PolarHBondContact O-N 2.81Å
333F40.3Very low35.5Very low109 Ų10994.4 Ų94.448%0.47856%0.555SS.*G310 helixtrans-101.4-2.7-179.6-59.8-82.9000113L327 P330 S331 I453L327-F333 HydrophobicContact CD1-CE2 4.32Å; L327-F333 HydrophobicContact CD2-CD2 4.46Å; L327-F333 HydrophobicContact CD2-CE2 3.85Å; L327-F333 HydrophobicContact CG-CE2 4.35Å; P330-F333 PolarHBondContact O-N 3.31Å; S331-F333 PolarHBondContact O-N 3.07Å; F333-I453 HydrophobicContact CD1-CG2 4.31Å; F333-I453 HydrophobicContact CE1-CG2 4.32Å
334L35.5Very low35.5Very low59 Ų5994.6 Ų94.631%0.30955%0.547SS..SBendtrans-91130176.9-62.5177.8000108.5S331 L338 L339 F342S331-L334 PolarHBondContact O-N 3.26Å; L334-L338 HydrophobicContact CB-CB 4.09Å; L334-L338 HydrophobicContact CB-CD1 4.47Å; L334-L338 HydrophobicContact CD2-CD1 3.84Å; L334-L339 HydrophobicContact CB-CG 4.45Å; L334-F342 HydrophobicContact CD1-CD2 4.05Å; L334-F342 HydrophobicContact CD1-CE2 3.9Å
335S38.4Very low35.3Very low25 Ų2588.9 Ų88.918%0.17553%0.534CS..  trans-55.214817251.80000110.3K337 L338 L339S335-K337 PolarHBondContact O-N 3.47Å; S335-L338 WeakPolarHBondContact O-CB 3.28Å; S335-L338 PolarHBondContact O-N 3.42Å; S335-L339 PolarHBondContact O-N 3.44Å
336P36.3Very low35.2Very low108 Ų10893.2 Ų93.270%0.70155%0.55SS*.Hα-helixtrans-52.5-27.7-178.5-28.334.1000114L339 A340P336-L339 PolarHBondContact O-N 2.82Å; P336-A340 PolarHBondContact O-N 3.18Å; P336-A340 VanDerWaalsContact O-N 3.07Å
337K39.6Very low35.1Very low137 Ų13793.2 Ų93.260%0.59654%0.542SS*.Hα-helixtrans-66-32.4175-64.4-179.6-172.3166.40113.3S335 N341 E446S335-K337 PolarHBondContact O-N 3.47Å; K337-N341 PolarHBondContact O-ND2 3.26Å; K337-N341 VanDerWaalsContact O-ND2 3.16Å; K337-E446 IonicContact NZ-OE1 3.87Å; K337-E446 IonicContact NZ-OE2 3.34Å; K337-E446 PolarHBondContact NZ-OE2 3.35Å
338L38.2Very low34.5Very low16 Ų1693 Ų938%0.08455%0.55CS.*Hα-helixtrans-79-41.7175-70.7-179.1000111L334 S335 A340 N341 F342 L439 A443L334-L338 HydrophobicContact CB-CB 4.09Å; L334-L338 HydrophobicContact CB-CD1 4.47Å; L334-L338 HydrophobicContact CD2-CD1 3.84Å; S335-L338 WeakPolarHBondContact O-CB 3.28Å; S335-L338 PolarHBondContact O-N 3.42Å; L338-A340 VanDerWaalsContact C-N 3.27Å; L338-A340 PolarHBondContact O-N 3.35Å; L338-N341 PolarHBondContact O-N 3.44Å; L338-F342 HydrophobicContact CB-CE2 4.25Å; L338-F342 WeakPolarHBondContact O-CD2 3.33Å; L338-F342 PolarHBondContact O-N 3.39Å; L338-F342 VanDerWaalsContact O-N 3.16Å; L338-L439 HydrophobicContact CD2-CD2 4.03Å; L338-L439 HydrophobicContact CD2-CG 4.02Å; L338-A443 HydrophobicContact CD1-CB 3.54Å; L338-A443 HydrophobicContact CD2-CB 4.3Å; L338-A443 HydrophobicContact CG-CB 3.94Å
339L40.1Very low34Very low70 Ų7088.2 Ų88.237%0.36655%0.549SS..Hα-helixtrans-55.4-39.6173.7-89.7156.5000112.9L334 S335 P336 N341 F342 A343L334-L339 HydrophobicContact CB-CG 4.45Å; S335-L339 PolarHBondContact O-N 3.44Å; P336-L339 PolarHBondContact O-N 2.82Å; L339-N341 VanDerWaalsContact C-N 3.27Å; L339-N341 PolarHBondContact O-N 3.27Å; L339-F342 PolarHBondContact O-N 3.39Å; L339-A343 WeakPolarHBondContact O-CB 3.3Å; L339-A343 PolarHBondContact O-N 3.4Å
340A38.2Very low33.5Very low59 Ų5989.4 Ų89.449%0.48857%0.565SS.*Hα-helixtrans-63.3-30.8176.500000113.5P336 L338 T344P336-A340 PolarHBondContact O-N 3.18Å; P336-A340 VanDerWaalsContact O-N 3.07Å; L338-A340 VanDerWaalsContact C-N 3.27Å; L338-A340 PolarHBondContact O-N 3.35Å; A340-T344 PolarHBondContact O-OG1 3.28Å
341N35.7Very low33.1Very low109 Ų10990.5 Ų90.558%0.58358%0.575SS**Hα-helixtrans-83.6-20.7177.8-66.6-32.2000113K337 L338 L339K337-N341 PolarHBondContact O-ND2 3.26Å; K337-N341 VanDerWaalsContact O-ND2 3.16Å; L338-N341 PolarHBondContact O-N 3.44Å; L339-N341 VanDerWaalsContact C-N 3.27Å; L339-N341 PolarHBondContact O-N 3.27Å
342F35.5Very low32.8Very low131 Ų13192.9 Ų92.958%0.57560%0.597SS**Hα-helixtrans-87.8-23.9173.6-70.8-68.2000112.9L334 L338 L339L334-F342 HydrophobicContact CD1-CD2 4.05Å; L334-F342 HydrophobicContact CD1-CE2 3.9Å; L338-F342 HydrophobicContact CB-CE2 4.25Å; L338-F342 WeakPolarHBondContact O-CD2 3.33Å; L338-F342 PolarHBondContact O-N 3.39Å; L338-F342 VanDerWaalsContact O-N 3.16Å; L339-F342 PolarHBondContact O-N 3.39Å
343A32.3Very low32.5Very low78 Ų7897.3 Ų97.365%0.64560%0.603SS**SBendtrans-87.5-3.5-177.900000114.8L339 P345L339-A343 WeakPolarHBondContact O-CB 3.3Å; L339-A343 PolarHBondContact O-N 3.4Å; A343-P345 WeakPolarHBondContact O-CD 3.49Å
344T27.1Very low32.1Very low90 Ų90101.2 Ų101.255%0.55262%0.62SS**  trans-98.1104.2175.96.10000110.7A340 T346A340-T344 PolarHBondContact O-OG1 3.28Å; T344-T346 PolarHBondContact O-N 3.13Å
345P25.2Very low31.8Very low112 Ų112104.2 Ų104.273%0.72764%0.643SS**  trans-64.4112.915827.5-27.9000105.7A343 A347A343-P345 WeakPolarHBondContact O-CD 3.49Å; P345-A347 PolarHBondContact O-N 3.35Å
346T27.7Very low31.4Very low143 Ų143108 Ų10888%0.87768%0.676SS**  trans-68.676169-41.90000108.3T344 S348T344-T346 PolarHBondContact O-N 3.13Å; T346-S348 PolarHBondContact O-N 2.92Å
347A22.9Very low31.1Very low83 Ų83106.7 Ų106.769%0.68668%0.682SS**  trans-81.7100.4163.400000107.1P345P345-A347 PolarHBondContact O-N 3.35Å
348S24.9Very low30.7Very low114 Ų114110 Ų11080%0.79770%0.699SS**  trans176.7114.8150.1-87.20000111.5T346T346-S348 PolarHBondContact O-N 2.92Å
349A27.7Very low30.3Very low106 Ų106113 Ų11388%0.87673%0.734SS**  173.265.4123.500000110.7
350S25.8Very low29.8Very low124 Ų124121 Ų12187%0.86776%0.759SS**  trans-96.296156.5161.50000107.2
351S31.2Very low29.6Very low113 Ų113126.8 Ų126.879%0.7978%0.776SS**  trans-86.6111.5173.674.40000110.9
352A28.4Very low29.3Very low82 Ų82126.8 Ų126.868%0.67878%0.781SS**  trans42.6113.7137.700000119.6
353H32.5Very low29.2Very low176 Ų176128.2 Ų128.282%0.81579%0.793SS**  -156.3114.4125.9-110.8-69.5000113.3
354K31.6Very low29.1Very low190 Ų190132.3 Ų132.383%0.82680%0.799SS**  trans60.1131.5149.4-82.8-177.4173-178.30122.5
355P29.3Very low29.2Very low122 Ų122136.7 Ų136.779%0.79281%0.813SS**  trans-98.7172.3173.940.1-32.7000113.7
356A28.6Very low29.5Very low106 Ų106136 Ų13688%0.87681%0.809SS**  trans83.3116159.800000117.8
357G30.8Very low29.4Very low80 Ų80135.5 Ų135.583%0.82580%0.799SS**  trans158.789.6167.200000113.1
358E30.1Very low29.6Very low205 Ų205139.3 Ų139.396%0.95880%0.803SS**  trans-26140.6168.2-61.7165149.600117.1
359G30.4Very low30Very low79 Ų79140.1 Ų140.181%0.81480%0.804SS**  trans165.798.5166.100000113.6
360R29.9Very low29.7Very low239 Ų239139.5 Ų139.590%0.90280%0.798SS**  trans-52.1148.4176.1-71163.8139.7156.8-7.5114
361E34.5Very low29.9Very low180 Ų180140.2 Ų140.284%0.84180%0.797SS**  159.592.2123.4-84.5175-164.300109.7
362T28.8Very low29.6Very low110 Ų110141 Ų14168%0.67580%0.797SS**  68.6109.593-37.70000115.2
363L32.6Very low29.8Very low160 Ų160142.7 Ų142.784%0.83880%0.804SS**  trans171.977.8137-91.4167.2000107.9
364Q30.2Very low29.7Very low165 Ų165139.5 Ų139.577%0.77180%0.801SS**  66.190.798.7-85.9173.9-12.100116.1
365Q30.5Very low29.4Very low181 Ų181136.3 Ų136.385%0.84680%0.798SS**  -75.6162.4122.1-74.1-166.9-14.500107.3
366P30.9Very low29.4Very low98 Ų98138.4 Ų138.464%0.63680%0.797SS**  -166.2-175.453.642-16000119.2
367I26.8Very low29.5Very low132 Ų132139.7 Ų139.768%0.67779%0.789SS**  trans81128.9132.8-84161.4000123.4
368E26.8Very low29.5Very low163 Ų163142.2 Ų142.276%0.76278%0.783SS**  trans63.2132.7145.5-71.7161.7-153.200122.6
369T31.6Very low29.6Very low132 Ų132140.6 Ų140.681%0.8178%0.775SS**  175.6135101.1-55.90000111.1
370A23.4Very low29.9Very low92 Ų92142.3 Ų142.376%0.7678%0.775SS**  trans-88.4145.8173.700000112.2
371V29.5Very low29.8Very low139 Ų139133.7 Ų133.784%0.84276%0.76SS**  trans-150.8117.8156.3-177.10000111
372T24.2Very low29.9Very low130 Ų130132.2 Ų132.280%0.79876%0.758SS**  trans-85.4146.3158.726.40000110.1
373S31.8Very low30Very low117 Ų117134.3 Ų134.382%0.81877%0.765SS**  trans179.6119.3143.8-79.10000114.5
374S30.8Very low30.2Very low109 Ų109132.5 Ų132.576%0.76277%0.766SS**  trans42.9116.8135.2-64.10000125
375T26Very low30.2Very low123 Ų123130.6 Ų130.676%0.75577%0.765SS**  25.2127.6124.251.90000121
376Q30.2Very low30Very low166 Ų166129.6 Ų129.678%0.77677%0.765SS**  167.6143.1103.5-90.8-163.52500114
377L28.9Very low30Very low134 Ų134129.2 Ų129.270%0.70277%0.77SS**  trans91.9118.6141.5-75.3159.6000122.4
378L31.9Very low30Very low132 Ų132128.9 Ų128.969%0.69177%0.774SS**  trans96.6101.1131.2-74.4160.6000120.6
379E32.2Very low30.1Very low171 Ų171125.7 Ų125.780%0.79978%0.776SS**  107.5128.7102.7-152.7169.4-154.800118.9
380S35.5Very low30Very low116 Ų116125.7 Ų125.781%0.81178%0.776SS**  trans73.8122.7160.1-169.60000116.6
381G28.4Very low30.3Very low58 Ų58129 Ų12960%0.59878%0.781SS**  cis143.6145.517.200000108
382N37.2Very low30.2Very low149 Ų149130.2 Ų130.280%0.79778%0.777SS**  trans106.778.7159.4-42.7-12.7000117.3
383D31.2Very low30.4Very low153 Ų153129.7 Ų129.782%0.81878%0.778SS**  44.2117.2114.7-57.7-16000121.9
384S35.2Very low30.1Very low122 Ų122134.5 Ų134.585%0.85378%0.778SS**  trans-159.282.3133.3170.50000109.8
385V30.3Very low30.2Very low125 Ų125135.4 Ų135.476%0.75878%0.779SS**  trans-21.1115.7168.1-177.30000116.4
386L27.9Very low30.2Very low161 Ų161134.8 Ų134.884%0.84378%0.779SS**  trans-94.8105.1158.1-136.8105.9000107.4T388L386-T388 PolarHBondContact O-N 2.76Å
387A29.6Very low30.3Very low90 Ų90132.6 Ų132.674%0.74478%0.782SS**  trans-80.496.1176.400000109.8A389A387-A389 PolarHBondContact O-N 2.88Å
388T28.1Very low30.2Very low124 Ų124131.7 Ų131.776%0.76179%0.785SS**  trans-74.397.9160.427.10000108.8L386 T390L386-T388 PolarHBondContact O-N 2.76Å; T388-T390 PolarHBondContact O-N 3.17Å
389A28.4Very low29.9Very low96 Ų96130.6 Ų130.679%0.79379%0.788SS**  trans-81.5103.4163.500000108.4A387 D391A387-A389 PolarHBondContact O-N 2.88Å; A389-D391 PolarHBondContact O-N 2.84Å
390T29.4Very low29.8Very low132 Ų132130.9 Ų130.981%0.8179%0.794SS**  trans-76.9103.9162.143.60000107.5T388T388-T390 PolarHBondContact O-N 3.17Å
391D29.5Very low29.3Very low162 Ų162130.7 Ų130.787%0.86679%0.793SS**  trans-96116.1172.9-142.5-9.6000109.3A389 C393A389-D391 PolarHBondContact O-N 2.84Å; D391-C393 PolarHBondContact O-N 2.83Å
392E27.4Very low29.3Very low165 Ų165133.5 Ų133.577%0.77180%0.798SS**  trans-75.995.8-178.7-70.8-175.3138.800110.1R394E392-R394 PolarHBondContact O-N 3.18Å
393C27.7Very low28.7Very low119 Ų119135.3 Ų135.380%0.80480%0.802SS**  trans-89.291.4168.8-149.30000110.4D391 T395D391-C393 PolarHBondContact O-N 2.83Å; C393-T395 PolarHBondContact O-N 2.57Å
394R26.7Very low28.5Very low217 Ų217137.7 Ų137.782%0.81980%0.801SS**  trans-61.9112.9164.5-72.6178174.6-176-1.3109.7E392E392-R394 PolarHBondContact O-N 3.18Å
395T32.3Very low28.1Very low128 Ų128140.7 Ų140.779%0.78580%0.801SS**  trans-127100.1155.754.30000109.5C393C393-T395 PolarHBondContact O-N 2.57Å
396S26.8Very low28Very low110 Ų110142.1 Ų142.177%0.76980%0.803SS**  trans-58.1126.5173.7-47.60000111.5
397S31.2Very low27.9Very low120 Ų120139.6 Ų139.684%0.83980%0.795SS**  trans-162.6148147.3-81.50000110
398P28Very low28Very low115 Ų115139.8 Ų139.875%0.74780%0.796SS**  trans-102.7146.4-140.417.10.9000114.4
399S25.5Very low28Very low109 Ų109144.4 Ų144.476%0.76280%0.8SS**  trans59.991.6149.861.10000119
400L29Very low28Very low178 Ų178147 Ų14793%0.93280%0.8SS**  trans-145.3121.3135-86.3177.6000109.9T402L400-T402 PolarHBondContact O-N 3.4Å
401S26.2Very low28.3Very low111 Ų111147 Ų14778%0.77680%0.799SS**  trans-62.5121.5174.9173.90000111.1
402T27.7Very low28.4Very low117 Ų117147.7 Ų147.772%0.71880%0.795SS**  173137.3129.231.10000110.4L400 Y404L400-T402 PolarHBondContact O-N 3.4Å; T402-Y404 PolarHBondContact O-N 3.11Å
403Q25.9Very low28.8Very low187 Ų187145.7 Ų145.787%0.87480%0.799SS**  trans-55.8107.9-170.4-65.2161.1-34.500114
404Y26.6Very low29.2Very low204 Ų204147.3 Ų147.380%0.880%0.8SS**  trans-143.6116.5156-66-78.4000109.7T402T402-Y404 PolarHBondContact O-N 3.11Å
405E26.2Very low30Very low184 Ų184143.2 Ų143.286%0.8679%0.794SS**  trans-84.4110.6169.3-173.3179.1175.300107.7
406I27.8Very low30.4Very low156 Ų156146.2 Ų146.280%0.880%0.799SS**  trans-93.6101.2177.9-58.3174.1000107.8A408I406-A408 PolarHBondContact O-N 3.11Å
407T27.1Very low31.5Very low107 Ų107145 Ų14566%0.65679%0.791SS**  trans-84.4102168.8-37.20000109.3R409T407-R409 PolarHBondContact O-N 3.3Å
408A29.8Very low32.3Very low94 Ų94147.1 Ų147.178%0.77779%0.792SS**  trans-73.3118169.100000109.3I406I406-A408 PolarHBondContact O-N 3.11Å
409R29.1Very low33.5Very low221 Ų221149.7 Ų149.783%0.83480%0.799SS**  trans-97.9118.9167.2-68.6-175.2175.5-171.7-2108T407 V411T407-R409 PolarHBondContact O-N 3.3Å; R409-V411 PolarHBondContact O-N 3.27Å; R409-V411 VanDerWaalsContact O-N 3.14Å
410L28.2Very low34.5Very low152 Ų152149.8 Ų149.880%0.79679%0.791SS**  trans-61.2111.5164.7-92.8120.6000108.2F412L410-F412 HydrophobicContact CB-CE2 4.28Å; L410-F412 HydrophobicContact CD2-CZ 4.3Å
411V34.7Very low36Very low132 Ų132150.5 Ų150.580%0.879%0.789SS**  trans-93.4104.2166.2-179.40000106.2R409 S413R409-V411 PolarHBondContact O-N 3.27Å; R409-V411 VanDerWaalsContact O-N 3.14Å; V411-S413 PolarHBondContact O-N 3.33Å
412F32.5Very low37.4Very low176 Ų176151.5 Ų151.577%0.77279%0.786SS**  trans-64.9114.2164.8-69.8-85.4000107.5L410 D414L410-F412 HydrophobicContact CB-CE2 4.28Å; L410-F412 HydrophobicContact CD2-CZ 4.3Å; F412-D414 PolarHBondContact O-N 3.32Å
413S36.4Very low38.6Very low123 Ų123154.1 Ų154.186%0.8679%0.79SS**  trans-81.491.3172.1178.70000107.9V411V411-S413 PolarHBondContact O-N 3.33Å
414D35.6Very low39.7Very low153 Ų153150.6 Ų150.682%0.81878%0.784SS**  trans-12676.1167.8-158.219.1000106.6F412F412-D414 PolarHBondContact O-N 3.32Å
415D43.2Very low41.7Very low130 Ų130145.4 Ų145.470%0.69578%0.783SS**  trans-151.980.3171.9-148.3-1.5000109.2S417D415-S417 PolarHBondContact O-N 3.32Å; D415-S417 PolarHBondContact O-OG 3.35Å
416E40.6Very low44.1Very low192 Ų192144.8 Ų144.890%0.89778%0.778SS**  trans-59.582.1158.9-68.8-76.6128.300107.9
417S49.4Very low46.8Very low84 Ų84146.7 Ų146.759%0.58778%0.78SS**  trans-98.9100.3179.229.80000108.8D415 L419D415-S417 PolarHBondContact O-N 3.32Å; D415-S417 PolarHBondContact O-OG 3.35Å; S417-L419 PolarHBondContact O-N 3.17Å; S417-L419 VanDerWaalsContact O-N 3.09Å
418D49.3Very low49.4Very low164 Ų164147.6 Ų147.688%0.87778%0.78SS**  trans-40.9113.8165.2-77.5-40.7000109.8D420D418-D420 PolarHBondContact O-N 3.2Å
419L52.1Low51.9Low169 Ų169146 Ų14689%0.88576%0.761SS**  trans-65.294.5175.6-73.6169.9000109.3S417 E421S417-L419 PolarHBondContact O-N 3.17Å; S417-L419 VanDerWaalsContact O-N 3.09Å; L419-E421 PolarHBondContact O-N 3.5Å; L419-E421 VanDerWaalsContact O-N 3.13Å
420D47.6Very low54.3Low112 Ų112145.7 Ų145.760%0.59976%0.76SS**  trans-67.9104.5166.6-168.40.7000108.4D418 N422 E423D418-D420 PolarHBondContact O-N 3.2Å; D420-N422 PolarHBondContact O-N 3.47Å; D420-N422 WeakPolarHBondContact OD1-CB 3.41Å; D420-N422 PolarHBondContact OD1-N 3.31Å; D420-N422 PolarHBondContact OD1-ND2 3.19Å; D420-E423 PolarHBondContact O-N 3.31Å
421E60.9Low57.1Low192 Ų192143.6 Ų143.690%0.89774%0.742SS**THydrogen-bonded Turntrans-60.62.5176.4-64.3-157.1158.900113.8L419L419-E421 PolarHBondContact O-N 3.5Å; L419-E421 VanDerWaalsContact O-N 3.13Å
422N54.7Low59.5Low132 Ų132138.7 Ų138.771%0.70671%0.714SS**THydrogen-bonded Turntrans-98.84.9178.3-64.1-72000115.2D420 P424D420-N422 PolarHBondContact O-N 3.47Å; D420-N422 WeakPolarHBondContact OD1-CB 3.41Å; D420-N422 PolarHBondContact OD1-N 3.31Å; D420-N422 PolarHBondContact OD1-ND2 3.19Å; N422-P424 WeakPolarHBondContact O-CD 3.41Å
423E53.8Low61.9Low172 Ų172133.3 Ų133.380%0.80470%0.696SS**  trans-67.5120.7174.7-157-177.8-172.700110.3D420 A425D420-E423 PolarHBondContact O-N 3.31Å; E423-A425 PolarHBondContact O-N 3.22Å
424P47.6Very low64Low114 Ų114133.4 Ų133.474%0.7469%0.687SS**  trans-66.4125.3-178.425.7-32.5000109.8N422 K426N422-P424 WeakPolarHBondContact O-CD 3.41Å; P424-K426 PolarHBondContact O-N 3.48Å
425A69.9Low66.2Low95 Ų95132.1 Ų132.179%0.78568%0.68SS**  trans-40.9130.4172.200000110.7E423 K427E423-A425 PolarHBondContact O-N 3.22Å; A425-K427 PolarHBondContact O-N 3.26Å
426K76.6Confident68.1Low171 Ų171129.6 Ų129.674%0.74366%0.664SS**  trans-41.8127.3-179.4-69.7174.6-177.6169.10109.9P424 I428P424-K426 PolarHBondContact O-N 3.48Å; K426-I428 PolarHBondContact O-N 2.75Å
427K83.4Confident70.1Confident195 Ų195123.6 Ų123.685%0.84864%0.64SS**PPolyproline II helixtrans-53.6125.2179.5-176.4177.8-179177.80109.8A425 P429A425-K427 PolarHBondContact O-N 3.26Å; K427-P429 WeakPolarHBondContact O-CD 3.45Å; K427-P429 VanDerWaalsContact O-N 3.16Å
428I81.3Confident71.8Confident127 Ų127125.7 Ų125.765%0.65164%0.639SS**PPolyproline II helixtrans-57.8120179.8-59176.3000108.8K426 A432K426-I428 PolarHBondContact O-N 2.75Å; I428-A432 HydrophobicContact CG2-CB 3.6Å; I428-A432 WeakPolarHBondContact CG2-O 3.2Å
429P83.1Confident73.3Confident59 Ų59122.4 Ų122.438%0.38362%0.621SS.*PPolyproline II helixtrans-68.5157.3179.128.8-35000110.9K427 W431 A432K427-P429 WeakPolarHBondContact O-CD 3.45Å; K427-P429 VanDerWaalsContact O-N 3.16Å; P429-W431 HydrophobicContact CG-CD2 4.32Å; P429-W431 VanDerWaalsContact CG-CE2 3.44Å; P429-W431 HydrophobicContact CG-CG 4.45Å; P429-W431 HydrophobicContact CG-CZ2 3.66Å; P429-W431 PolarHBondContact O-N 2.81Å; P429-W431 VanDerWaalsContact O-N 3.17Å; P429-A432 HydrophobicContact CG-CB 3.95Å; P429-A432 PolarHBondContact O-N 2.86Å
430R80.4Confident74.6Confident216 Ų216116.3 Ų116.382%0.81560%0.595SS**G310 helixtrans-57.1-35.6-174.6-72.6-177.6171.3178.8-2.2113.6A432 T433 Q436R430-A432 PolarHBondContact O-N 2.95Å; R430-T433 WeakPolarHBondContact O-CB 3.45Å; R430-T433 WeakPolarHBondContact O-CG2 3.34Å; R430-T433 PolarHBondContact O-N 3.47Å; R430-T433 PolarHBondContact O-OG1 2.99Å; R430-Q436 VanDerWaalsContact O-CD 3.25Å; R430-Q436 PolarHBondContact O-OE1 2.7Å
431W85.3Confident75.9Confident108 Ų108115.5 Ų115.541%0.40958%0.584SS.*G310 helixtrans-65-23.6177.471.9-102.7000113.5T319 P320 P429 T433 Q436T319-W431 HydrophobicContact CG2-CH2 3.9Å; P320-W431 HydrophobicContact CG-CD2 4.5Å; P320-W431 HydrophobicContact CG-CH2 3.51Å; P320-W431 HydrophobicContact CG-CZ2 3.2Å; P320-W431 HydrophobicContact CG-CZ3 4.21Å; P429-W431 HydrophobicContact CG-CD2 4.32Å; P429-W431 VanDerWaalsContact CG-CE2 3.44Å; P429-W431 HydrophobicContact CG-CG 4.45Å; P429-W431 HydrophobicContact CG-CZ2 3.66Å; P429-W431 PolarHBondContact O-N 2.81Å; P429-W431 VanDerWaalsContact O-N 3.17Å; W431-T433 VanDerWaalsContact C-N 3.26Å; W431-T433 PolarHBondContact O-N 2.98Å; W431-Q436 WeakPolarHBondContact O-CB 3.48Å
432A86.3Confident76.9Confident28 Ų28110.2 Ų110.223%0.23157%0.565CS.*G310 helixtrans-92.727.7179.300000112.5I428 P429 R430I428-A432 HydrophobicContact CG2-CB 3.6Å; I428-A432 WeakPolarHBondContact CG2-O 3.2Å; P429-A432 HydrophobicContact CG-CB 3.95Å; P429-A432 PolarHBondContact O-N 2.86Å; R430-A432 PolarHBondContact O-N 2.95Å
433T82.7Confident78Confident64 Ų64104.4 Ų104.439%0.39354%0.536SS..SBendtrans-93.6147.6171.454.20000110.2R430 W431 D435 Q436 V437R430-T433 WeakPolarHBondContact O-CB 3.45Å; R430-T433 WeakPolarHBondContact O-CG2 3.34Å; R430-T433 PolarHBondContact O-N 3.47Å; R430-T433 PolarHBondContact O-OG1 2.99Å; W431-T433 VanDerWaalsContact C-N 3.26Å; W431-T433 PolarHBondContact O-N 2.98Å; T433-D435 PolarHBondContact O-N 3.11Å; T433-Q436 PolarHBondContact O-N 3.17Å; T433-Q436 WeakPolarHBondContact OG1-CG 3.01Å; T433-V437 WeakPolarHBondContact O-CG2 3.48Å; T433-V437 PolarHBondContact O-N 3.28Å
434D79.3Confident79.1Confident125 Ų12598.9 Ų98.967%0.66851%0.51SS*.Hα-helixtrans-45.5-43.5-173.4-71.23.2000114.3K438D434-K438 WeakPolarHBondContact O-CB 3.34Å; D434-K438 WeakPolarHBondContact O-CD 3.41Å; D434-K438 WeakPolarHBondContact O-CG 3.42Å; D434-K438 PolarHBondContact O-N 3.13Å; D434-K438 VanDerWaalsContact O-N 3.08Å
435D83Confident80.3Confident126 Ų12697.1 Ų97.167%0.67449%0.492SS*.Hα-helixtrans-72.1-39.2-178.5-65.2-23.4000112.2T433 L439T433-D435 PolarHBondContact O-N 3.11Å; D435-L439 PolarHBondContact O-N 3.46Å; D435-L439 VanDerWaalsContact O-N 3.12Å
436Q83.1Confident80.7Confident77 Ų7797.7 Ų97.736%0.3648%0.479SS..Hα-helixtrans-73.9-37.4179.1-64.5-164.74.100111.4R430 W431 T433 L439 A440R430-Q436 VanDerWaalsContact O-CD 3.25Å; R430-Q436 PolarHBondContact O-OE1 2.7Å; W431-Q436 WeakPolarHBondContact O-CB 3.48Å; T433-Q436 PolarHBondContact O-N 3.17Å; T433-Q436 WeakPolarHBondContact OG1-CG 3.01Å; Q436-L439 PolarHBondContact O-N 3.03Å; Q436-A440 VanDerWaalsContact O-CB 3.3Å; Q436-A440 WeakPolarHBondContact O-CB 3.18Å; Q436-A440 PolarHBondContact O-N 2.82Å
437V83Confident80.5Confident65 Ų6592.3 Ų92.339%0.39446%0.458SS..Hα-helixtrans-63.7-44.1174.3174.40000110.7T433 L439 A440 Y441T433-V437 WeakPolarHBondContact O-CG2 3.48Å; T433-V437 PolarHBondContact O-N 3.28Å; V437-L439 PolarHBondContact O-N 3.03Å; V437-A440 PolarHBondContact O-N 3.02Å; V437-Y441 VanDerWaalsContact O-CB 3.28Å; V437-Y441 WeakPolarHBondContact O-CB 3.41Å; V437-Y441 PolarHBondContact O-N 3.49Å
438K83.5Confident79.4Confident128 Ų12891.8 Ų91.856%0.55746%0.458SS*.Hα-helixtrans-61.2-43.3175.5-75.3167.9-1701660112.2D434 Y441 V442D434-K438 WeakPolarHBondContact O-CB 3.34Å; D434-K438 WeakPolarHBondContact O-CD 3.41Å; D434-K438 WeakPolarHBondContact O-CG 3.42Å; D434-K438 PolarHBondContact O-N 3.13Å; D434-K438 VanDerWaalsContact O-N 3.08Å; K438-Y441 PolarHBondContact O-N 3.22Å; K438-V442 WeakPolarHBondContact O-CG2 3.34Å; K438-V442 PolarHBondContact O-N 2.96Å
439L81.9Confident78.6Confident95 Ų9590 Ų9050%0.49745%0.447SS..Hα-helixtrans-66.5-43.7178.8-174.566.1000111.8L338 D435 Q436 V437 Y441 V442 A443L338-L439 HydrophobicContact CD2-CD2 4.03Å; L338-L439 HydrophobicContact CD2-CG 4.02Å; D435-L439 PolarHBondContact O-N 3.46Å; D435-L439 VanDerWaalsContact O-N 3.12Å; Q436-L439 PolarHBondContact O-N 3.03Å; V437-L439 PolarHBondContact O-N 3.03Å; L439-Y441 VanDerWaalsContact C-N 3.33Å; L439-V442 PolarHBondContact O-N 2.81Å; L439-A443 WeakPolarHBondContact O-CB 2.98Å; L439-A443 PolarHBondContact O-N 2.97Å
440A78.4Confident77.7Confident42 Ų4290 Ų9035%0.34745%0.447SS..Hα-helixtrans-62.6-40.917600000111.4Q436 V437 A443 Q444Q436-A440 VanDerWaalsContact O-CB 3.3Å; Q436-A440 WeakPolarHBondContact O-CB 3.18Å; Q436-A440 PolarHBondContact O-N 2.82Å; V437-A440 PolarHBondContact O-N 3.02Å; A440-A443 PolarHBondContact O-N 3.13Å; A440-Q444 WeakPolarHBondContact O-CB 3.17Å; A440-Q444 PolarHBondContact O-N 3.3Å
441Y76.2Confident76.9Confident94 Ų9487.3 Ų87.337%0.36944%0.444SS..Hα-helixtrans-59-52.4175.1-179.7-101.8000111.2I317 V437 K438 L439 A443 Q444 M445I317-Y441 HydrophobicContact CD1-CD2 4.31Å; I317-Y441 HydrophobicContact CD1-CE2 4.28Å; I317-Y441 HydrophobicContact CG1-CD2 4.21Å; I317-Y441 HydrophobicContact CG1-CE2 4.23Å; V437-Y441 VanDerWaalsContact O-CB 3.28Å; V437-Y441 WeakPolarHBondContact O-CB 3.41Å; V437-Y441 PolarHBondContact O-N 3.49Å; K438-Y441 PolarHBondContact O-N 3.22Å; L439-Y441 VanDerWaalsContact C-N 3.33Å; Y441-A443 VanDerWaalsContact C-N 3.29Å; Y441-A443 PolarHBondContact O-N 2.76Å; Y441-Q444 WeakPolarHBondContact O-CB 3.47Å; Y441-Q444 PolarHBondContact O-N 3.14Å; Y441-Q444 VanDerWaalsContact O-N 3.08Å; Y441-M445 HydrophobicContact CD1-CG 4.35Å; Y441-M445 HydrophobicContact CE1-CG 4.11Å; Y441-M445 HydrophobicContact CE1-SD 4.16Å; Y441-M445 HydrophobicContact CE2-SD 4.17Å; Y441-M445 WeakPolarHBondContact O-CG 3.44Å; Y441-M445 PolarHBondContact O-N 3.03Å
442V81.6Confident75.9Confident82 Ų8290.9 Ų90.950%0.49746%0.457SS..Hα-helixtrans-57.4-43.5177.1173.80000111.5K438 L439 Q444 M445 E446K438-V442 WeakPolarHBondContact O-CG2 3.34Å; K438-V442 PolarHBondContact O-N 2.96Å; L439-V442 PolarHBondContact O-N 2.81Å; V442-Q444 VanDerWaalsContact C-N 3.32Å; V442-Q444 PolarHBondContact O-N 3.11Å; V442-M445 WeakPolarHBondContact O-CB 3.35Å; V442-M445 PolarHBondContact O-N 3.02Å; V442-E446 PolarHBondContact O-N 3.35Å
443A78.6Confident74.9Confident10 Ų1092.2 Ų92.28%0.08346%0.46CS..Hα-helixtrans-65.2-34.8177.900000113L338 L439 A440 Y441 M445 E446L338-A443 HydrophobicContact CD1-CB 3.54Å; L338-A443 HydrophobicContact CD2-CB 4.3Å; L338-A443 HydrophobicContact CG-CB 3.94Å; L439-A443 WeakPolarHBondContact O-CB 2.98Å; L439-A443 PolarHBondContact O-N 2.97Å; A440-A443 PolarHBondContact O-N 3.13Å; Y441-A443 VanDerWaalsContact C-N 3.29Å; Y441-A443 PolarHBondContact O-N 2.76Å; A443-M445 VanDerWaalsContact C-N 3.32Å; A443-E446 PolarHBondContact O-N 3.37Å
444Q76Confident74Confident56 Ų5695.3 Ų95.326%0.26247%0.468SS..Hα-helixtrans-68.5-33.8176.8-167.9-179-11.900111.7L316 A440 Y441 V442 E446 I447L316-Q444 PolarHBondContact O-NE2 3Å; A440-Q444 WeakPolarHBondContact O-CB 3.17Å; A440-Q444 PolarHBondContact O-N 3.3Å; Y441-Q444 WeakPolarHBondContact O-CB 3.47Å; Y441-Q444 PolarHBondContact O-N 3.14Å; Y441-Q444 VanDerWaalsContact O-N 3.08Å; V442-Q444 VanDerWaalsContact C-N 3.32Å; V442-Q444 PolarHBondContact O-N 3.11Å; Q444-E446 PolarHBondContact O-N 3.39Å; Q444-I447 HydrophobicContact CG-CD1 4.2Å; Q444-I447 WeakPolarHBondContact O-CB 3.29Å; Q444-I447 PolarHBondContact O-N 2.86Å
445M72.8Confident72.8Confident76 Ų7694.4 Ų94.437%0.37448%0.478SS..Hα-helixtrans-66.4-22.7174.2-58.7-73.2-63.700112.9H315 Y441 V442 A443 I447H315-M445 HydrophobicContact CB-SD 4.09Å; H315-M445 VanDerWaalsContact CD2-CE 3.41Å; H315-M445 WeakPolarHBondContact CD2-CE 3.21Å; H315-M445 VanDerWaalsContact CD2-SD 3.55Å; H315-M445 WeakPolarHBondContact CE1-CE 3.19Å; H315-M445 PolarHBondContact CE1-SD 3.49Å; H315-M445 PolarHBondContact ND1-SD 3.05Å; H315-M445 WeakPolarHBondContact NE2-CE 3.47Å; Y441-M445 HydrophobicContact CD1-CG 4.35Å; Y441-M445 HydrophobicContact CE1-CG 4.11Å; Y441-M445 HydrophobicContact CE1-SD 4.16Å; Y441-M445 HydrophobicContact CE2-SD 4.17Å; Y441-M445 WeakPolarHBondContact O-CG 3.44Å; Y441-M445 PolarHBondContact O-N 3.03Å; V442-M445 WeakPolarHBondContact O-CB 3.35Å; V442-M445 PolarHBondContact O-N 3.02Å; A443-M445 VanDerWaalsContact C-N 3.32Å; M445-I447 VanDerWaalsContact C-N 3.33Å
446E78Confident71.6Confident108 Ų10891.3 Ų91.351%0.50548%0.476SS..THydrogen-bonded Turntrans-84.1-3.1176.1-65.2-176-178.300113.1K337 V442 A443 Q444 E448K337-E446 IonicContact NZ-OE1 3.87Å; K337-E446 IonicContact NZ-OE2 3.34Å; K337-E446 PolarHBondContact NZ-OE2 3.35Å; V442-E446 PolarHBondContact O-N 3.35Å; A443-E446 PolarHBondContact O-N 3.37Å; Q444-E446 PolarHBondContact O-N 3.39Å; E446-E448 PolarHBondContact O-N 3.29Å
447I71.8Confident70.4Confident57 Ų5793.9 Ų93.929%0.29250%0.501SS..  trans-79119.4-179.9-61.3176.3000109.9Q444 M445 Q449Q444-I447 HydrophobicContact CG-CD1 4.2Å; Q444-I447 WeakPolarHBondContact O-CB 3.29Å; Q444-I447 PolarHBondContact O-N 2.86Å; M445-I447 VanDerWaalsContact C-N 3.33Å; I447-Q449 VanDerWaalsContact C-N 3.32Å; I447-Q449 PolarHBondContact O-N 3.05Å
448E60.6Low69.8Low184 Ų18497.3 Ų97.386%0.8652%0.516SS*.SBendtrans-66.7-25.4-174.5-71.7-177.1167.300114.8E446E446-E448 PolarHBondContact O-N 3.29Å
449Q65.2Low69.3Low90 Ų9099.7 Ų99.742%0.42152%0.522SS..  trans-142.576.3-173.3-59.8-170.723.500111.9I447 E451 R452I447-Q449 VanDerWaalsContact C-N 3.32Å; I447-Q449 PolarHBondContact O-N 3.05Å; Q449-E451 PolarHBondContact O-N 2.94Å; Q449-R452 HydrophobicContact CB-CG 4.02Å; Q449-R452 PolarHBondContact O-N 2.75Å
450P64.6Low69Low58 Ų58100.6 Ų100.638%0.37753%0.533SS..G310 helixtrans-63-27.7178.827.3-34.8000112.4R452 I453P450-R452 PolarHBondContact O-N 3.32Å; P450-R452 VanDerWaalsContact O-N 3.11Å; P450-I453 HydrophobicContact CB-CD1 4.41Å; P450-I453 VanDerWaalsContact O-CB 3.29Å; P450-I453 WeakPolarHBondContact O-CB 3.33Å; P450-I453 WeakPolarHBondContact O-CG1 3.35Å; P450-I453 PolarHBondContact O-N 3.3Å
451E63.5Low69.1Low161 Ų161105 Ų10575%0.75255%0.55SS*.G310 helixtrans-54.3-28.7175.1-28.4-68.9162.700112.5Q449 I453 F454Q449-E451 PolarHBondContact O-N 2.94Å; E451-I453 VanDerWaalsContact C-N 3.3Å; E451-I453 PolarHBondContact O-N 2.81Å; E451-F454 VanDerWaalsContact O-O 3.05Å
452R63.8Low69.1Low183 Ų183102.5 Ų102.569%0.69155%0.546SS*.G310 helixtrans-75.6-17.4179.9-69.5-168.5-178-167.86.2113.6Q449 P450 F454Q449-R452 HydrophobicContact CB-CG 4.02Å; Q449-R452 PolarHBondContact O-N 2.75Å; P450-R452 PolarHBondContact O-N 3.32Å; P450-R452 VanDerWaalsContact O-N 3.11Å; R452-F454 VanDerWaalsContact C-N 3.33Å
453I65.7Low68.6Low55 Ų55102.6 Ų102.628%0.28254%0.543SS..THydrogen-bonded Turntrans-67.5-40.9-177.2-61171.9000109.6F333 P450 E451F333-I453 HydrophobicContact CD1-CG2 4.31Å; F333-I453 HydrophobicContact CE1-CG2 4.32Å; P450-I453 HydrophobicContact CB-CD1 4.41Å; P450-I453 VanDerWaalsContact O-CB 3.29Å; P450-I453 WeakPolarHBondContact O-CB 3.33Å; P450-I453 WeakPolarHBondContact O-CG1 3.35Å; P450-I453 PolarHBondContact O-N 3.3Å; E451-I453 VanDerWaalsContact C-N 3.3Å; E451-I453 PolarHBondContact O-N 2.81Å
454F63.7Low68.4Low129 Ų129105.7 Ų105.757%0.56656%0.558SS**SBendtrans-97.994.4170-61.8-74000107.6V318 E451 R452 G456V318-F454 HydrophobicContact CG2-CE2 4.27Å; V318-F454 HydrophobicContact CG2-CZ 4.19Å; E451-F454 VanDerWaalsContact O-O 3.05Å; R452-F454 VanDerWaalsContact C-N 3.33Å; F454-G456 PolarHBondContact O-N 3.18Å
455A53.1Low68.5Low107 Ų107108.7 Ų108.788%0.88457%0.572SS**  trans-66.178.9179.300000111.1
456G58Low68.8Low61 Ų61109.4 Ų109.463%0.62958%0.581SS**SBendtrans143.7177.1162.700000116.7F454F454-G456 PolarHBondContact O-N 3.18Å
457C59.3Low68.9Low131 Ų131110.6 Ų110.689%0.88558%0.584SS**PPolyproline II helixtrans-61.5138.6170.7-63.10000109.6R459C457-R459 PolarHBondContact O-N 2.89Å
458L69.5Low68.8Low136 Ų136111.2 Ų111.271%0.71260%0.604SS**PPolyproline II helixtrans-57.1122.1167.2-65.8172.3000108.4M56M56-L458 HydrophobicContact CE-CD1 4.34Å
459R72.2Confident68.8Low179 Ų179106.7 Ų106.768%0.67559%0.59SS**PPolyproline II helixtrans-62.5131.5177.3-177.1-179.8173.5161.7-0.5108.5C457 I461 E465C457-R459 PolarHBondContact O-N 2.89Å; R459-I461 PolarHBondContact O-N 2.93Å; R459-E465 IonicContact CZ-OE1 3.48Å; R459-E465 IonicContact CZ-OE2 3.53Å; R459-E465 IonicContact NE-OE2 2.75Å; R459-E465 IonicContact NH2-OE1 2.82Å; R459-E465 PolarHBondContact NH2-OE1 2.83Å; R459-E465 IonicContact NH2-OE2 3.84Å; R459-E465 PolarHBondContact NH2-OE2 3.05Å
460P77.4Confident68.5Low113 Ų113106.8 Ų106.873%0.73461%0.606SS**PPolyproline II helixtrans-52.7131.5170.8-26.134.6000110.5S462P460-S462 PolarHBondContact O-N 3.33Å
461I78.9Confident68.1Low136 Ų136106.2 Ų106.270%0.69761%0.611SS**PPolyproline II helixtrans-72.1120.6180-62171.6000108.2R459 V466R459-I461 PolarHBondContact O-N 2.93Å; I461-V466 HydrophobicContact CG2-CG2 3.94Å
462S75.9Confident67.6Low41 Ų41105.8 Ų105.829%0.28761%0.609SS.*  trans-95.9114.7168.6172.20000108.9P460 N464 E465 V466P460-S462 PolarHBondContact O-N 3.33Å; S462-N464 PolarHBondContact O-N 2.81Å; S462-E465 PolarHBondContact O-N 3.4Å; S462-E465 WeakPolarHBondContact OG-CG 3.44Å; S462-E465 PolarHBondContact OG-N 3.23Å; S462-V466 WeakPolarHBondContact O-CG2 3.43Å; S462-V466 PolarHBondContact O-N 3.23Å
463L72.1Confident67.3Low83 Ų83100.6 Ų100.644%0.43560%0.598SS.*Hα-helixtrans-60.8-33.5178.4-63.4-179.4000111.5E465 V466 F467 P473L463-E465 VanDerWaalsContact C-N 3.34Å; L463-E465 PolarHBondContact O-N 3.4Å; L463-V466 PolarHBondContact O-N 3.14Å; L463-F467 HydrophobicContact CB-CD2 4.18Å; L463-F467 HydrophobicContact CD2-CD2 3.91Å; L463-F467 HydrophobicContact CD2-CE2 3.61Å; L463-F467 WeakPolarHBondContact O-CB 3.19Å; L463-F467 WeakPolarHBondContact O-CD2 3.25Å; L463-F467 PolarHBondContact O-N 2.92Å; L463-P473 HydrophobicContact CD1-CB 4.32Å
464N74.3Confident66.8Low76 Ų76103.2 Ų103.241%0.40661%0.613SS.*Hα-helixtrans-66-37.5175.3-66.2-8.4000111.7S462 G468 T469S462-N464 PolarHBondContact O-N 2.81Å; N464-G468 VanDerWaalsContact O-CA 3.3Å; N464-G468 WeakPolarHBondContact O-CA 3.3Å; N464-G468 PolarHBondContact O-N 3.05Å; N464-T469 PolarHBondContact OD1-O 3.5Å
465E77.8Confident66.4Low119 Ų119100.9 Ų100.956%0.55661%0.613SS**Hα-helixtrans-71.5-36.2175.9-68.4176.3-177.900112.2R459 S462 L463R459-E465 IonicContact CZ-OE1 3.48Å; R459-E465 IonicContact CZ-OE2 3.53Å; R459-E465 IonicContact NE-OE2 2.75Å; R459-E465 IonicContact NH2-OE1 2.82Å; R459-E465 PolarHBondContact NH2-OE1 2.83Å; R459-E465 IonicContact NH2-OE2 3.84Å; R459-E465 PolarHBondContact NH2-OE2 3.05Å; S462-E465 PolarHBondContact O-N 3.4Å; S462-E465 WeakPolarHBondContact OG-CG 3.44Å; S462-E465 PolarHBondContact OG-N 3.23Å; L463-E465 VanDerWaalsContact C-N 3.34Å; L463-E465 PolarHBondContact O-N 3.4Å
466V80.1Confident66.6Low90 Ų90101.2 Ų101.255%0.54560%0.604SS.*Hα-helixtrans-80.7-42-177.2175.90000112.3I461 S462 L463I461-V466 HydrophobicContact CG2-CG2 3.94Å; S462-V466 WeakPolarHBondContact O-CG2 3.43Å; S462-V466 PolarHBondContact O-N 3.23Å; L463-V466 PolarHBondContact O-N 3.14Å
467F78.6Confident66.8Low134 Ų134106.7 Ų106.759%0.58861%0.605SS**Hα-helixtrans-107.4-9.6-170.8-62.6-73.8000113.9L463 T469L463-F467 HydrophobicContact CB-CD2 4.18Å; L463-F467 HydrophobicContact CD2-CD2 3.91Å; L463-F467 HydrophobicContact CD2-CE2 3.61Å; L463-F467 WeakPolarHBondContact O-CB 3.19Å; L463-F467 WeakPolarHBondContact O-CD2 3.25Å; L463-F467 PolarHBondContact O-N 2.92Å; F467-T469 PolarHBondContact O-N 2.77Å
468G71.3Confident67.4Low69 Ų69105.4 Ų105.471%0.71160%0.598SS**  trans66.6-1.8179.300000115N464N464-G468 VanDerWaalsContact O-CA 3.3Å; N464-G468 WeakPolarHBondContact O-CA 3.3Å; N464-G468 PolarHBondContact O-N 3.05Å
469T60.9Low67.5Low90 Ų90102.8 Ų102.855%0.55259%0.591SS**  trans-103.4129.2179.254.60000110N464 F467 G471N464-T469 PolarHBondContact OD1-O 3.5Å; F467-T469 PolarHBondContact O-N 2.77Å; T469-G471 PolarHBondContact O-N 3.44Å
470A58.1Low67.3Low91 Ų9196.8 Ų96.875%0.75258%0.579SS**  trans-72.838.3170.500000112.5E472A470-E472 PolarHBondContact O-N 3.25Å
471G55.8Low67Low47 Ų4797.9 Ų97.949%0.48558%0.575SS.*  trans-65.9108.8173.300000107.7T469 P473T469-G471 PolarHBondContact O-N 3.44Å; G471-P473 VanDerWaalsContact O-CD 3.22Å; G471-P473 WeakPolarHBondContact O-CD 3.22Å
472E54Low66.7Low152 Ų15297 Ų9771%0.7156%0.563SS**  trans-38.2112.3-180-90.1-169.6170.300111.1A470 D474A470-E472 PolarHBondContact O-N 3.25Å; E472-D474 HydrophobicContact CB-CB 3.76Å; E472-D474 VanDerWaalsContact CD-CG 3.43Å; E472-D474 HydrophobicContact CG-CB 3.91Å; E472-D474 VanDerWaalsContact CG-OD2 3.26Å; E472-D474 WeakPolarHBondContact CG-OD2 3.48Å; E472-D474 PolarHBondContact O-N 3.43Å; E472-D474 VanDerWaalsContact OE1-OD2 3.07Å
473P57.5Low66.5Low73 Ų73102.1 Ų102.147%0.47459%0.587SS.*  trans-76.938.1158.735-32.5000109.9L463 G471 S475L463-P473 HydrophobicContact CD1-CB 4.32Å; G471-P473 VanDerWaalsContact O-CD 3.22Å; G471-P473 WeakPolarHBondContact O-CD 3.22Å; P473-S475 PolarHBondContact O-N 3.48Å; P473-S475 VanDerWaalsContact O-N 3.14Å
474D54.6Low65.5Low110 Ų110101.2 Ų101.259%0.58859%0.585SS**  trans-85.36.8-161.6-72.817.6000113.5E472E472-D474 HydrophobicContact CB-CB 3.76Å; E472-D474 VanDerWaalsContact CD-CG 3.43Å; E472-D474 HydrophobicContact CG-CB 3.91Å; E472-D474 VanDerWaalsContact CG-OD2 3.26Å; E472-D474 WeakPolarHBondContact CG-OD2 3.48Å; E472-D474 PolarHBondContact O-N 3.43Å; E472-D474 VanDerWaalsContact OE1-OD2 3.07Å
475S55.3Low64.2Low81 Ų81102.4 Ų102.457%0.56660%0.599SS**  trans-106.680.4163.6-164.20000109.5P473 R477P473-S475 PolarHBondContact O-N 3.48Å; P473-S475 VanDerWaalsContact O-N 3.14Å; S475-R477 PolarHBondContact O-N 3.09Å; S475-R477 WeakPolarHBondContact OG-CG 3.4Å
476V58.1Low62.4Low113 Ų113102 Ų10269%0.68561%0.61SS**  trans-64.287.5160.3-1780000106.9A480V476-A480 HydrophobicContact CG1-CB 3.57Å
477R62.2Low60.4Low176 Ų176106.1 Ų106.166%0.66462%0.623SS**  trans-73.1166.6173.7-66.5-178177.8178.3-1.5109.1S475 S479 A480S475-R477 PolarHBondContact O-N 3.09Å; S475-R477 WeakPolarHBondContact OG-CG 3.4Å; R477-S479 PolarHBondContact O-N 3.26Å; R477-A480 PolarHBondContact O-N 3.23Å
478S71.1Confident58.3Low104 Ų104105.4 Ų105.473%0.72763%0.633SS**G310 helixtrans-53.1-15.6176590000114
479S70.5Confident56.4Low81 Ų81105.3 Ų105.357%0.56663%0.632SS**G310 helixtrans-69.8-22.2173.154.70000115.1R477R477-S479 PolarHBondContact O-N 3.26Å
480A68.9Low55.1Low53 Ų53112.4 Ų112.444%0.43866%0.664SS.*G310 helixtrans-87.2-9.2177.500000112.8V476 R477V476-A480 HydrophobicContact CG1-CB 3.57Å; R477-A480 PolarHBondContact O-N 3.23Å
481Q70.2Confident54.9Low136 Ų136113.5 Ų113.564%0.63666%0.66SS**  trans-90.7112.7174.1-71.1179.7-40.600109.5
482W73.4Confident54.9Low118 Ų118116.9 Ų116.945%0.44767%0.669SS.*  trans-108.899.5177.1-57.999.6000109.3R57 Y58 T484R57-W482 HydrophobicContact CB-CE3 4.06Å; R57-W482 HydrophobicContact CB-CH2 4.14Å; R57-W482 HydrophobicContact CB-CZ3 3.33Å; R57-W482 HydrophobicContact CG-CZ3 4.4Å; R57-W482 WeakPolarHBondContact O-CH2 3.26Å; R57-W482 VanDerWaalsContact O-CZ3 3.25Å; R57-W482 WeakPolarHBondContact O-CZ3 2.98Å; Y58-W482 HydrophobicContact CD1-CH2 4.17Å; Y58-W482 HydrophobicContact CD1-CZ2 4.31Å; Y58-W482 HydrophobicContact CE1-CH2 4.09Å; Y58-W482 AromaticContact CE1-CZ2 3.81Å; Y58-W482 HydrophobicContact CE1-CZ2 3.81Å; W482-T484 PolarHBondContact O-N 3.3Å
483D71.2Confident54.9Low149 Ų149115 Ų11580%0.79767%0.667SS**  trans-7630.1173.9-64.9-34.4000112.6
484T52.1Low54.8Low63 Ų63117.5 Ų117.539%0.38768%0.678SS.*  trans-111.358.7179.649.40000112.4W482 S486W482-T484 PolarHBondContact O-N 3.3Å; T484-S486 VanDerWaalsContact C-N 3.26Å; T484-S486 PolarHBondContact O-N 2.88Å
485S47Very low54.8Low101 Ų101117.9 Ų117.971%0.70668%0.683SS**  trans-81.784.6144.3510000107.3E487S485-E487 PolarHBondContact O-N 3.22Å
486S40.5Very low54.7Low111 Ų111120.4 Ų120.478%0.77669%0.691SS**  trans-69.580.6142.955.80000105.1T484 C488T484-S486 VanDerWaalsContact C-N 3.26Å; T484-S486 PolarHBondContact O-N 2.88Å; S486-C488 PolarHBondContact O-N 3.02Å
487E37.6Very low54.5Low176 Ų176120.9 Ų120.982%0.82269%0.692SS**  trans-52.397.9157.6-164165.2-155.600104.4S485 G489S485-E487 PolarHBondContact O-N 3.22Å; E487-G489 PolarHBondContact O-N 3.08Å
488C35.1Very low53.9Low120 Ų120116.7 Ų116.781%0.81169%0.694SS**  trans-68.482.8170.6-167.40000104.4S486 I490S486-C488 PolarHBondContact O-N 3.02Å; C488-I490 PolarHBondContact O-N 2.57Å
489G30.4Very low52.5Low66 Ų66117.8 Ų117.868%0.6869%0.691SS**  trans-55.9111.3175.200000108.6E487E487-G489 PolarHBondContact O-N 3.08Å
490I33Very low50.8Low239 Ų239121.1 Ų121.1100%1.22670%0.702SS**  trans-740151.3-58.2177.8000107.1C488C488-I490 PolarHBondContact O-N 2.57Å

Retrieved 490 of 490 residues in 54.4 ms (Link to these results)